smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccc(Br)cc1CNCCc1cscn1 ZINC000111626159 700549050 /nfs/dbraw/zinc/54/90/50/700549050.db2.gz DNCNPXJEQZUTPQ-UHFFFAOYSA-N 0 3 351.269 3.250 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSCc1ccco1 ZINC000150943097 704905748 /nfs/dbraw/zinc/90/57/48/704905748.db2.gz OHWFUEKMNQMETL-PLWJUESGSA-N 0 3 356.403 3.383 20 30 FGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCSC(C)(C)C)cc1 ZINC000155174635 705066840 /nfs/dbraw/zinc/06/68/40/705066840.db2.gz KIQZGDJOOSKXCF-INIZCTEOSA-N 0 3 362.495 3.332 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173943630 705479671 /nfs/dbraw/zinc/47/96/71/705479671.db2.gz MJTRGBDFDPOFHL-ZDUSSCGKSA-N 0 3 360.483 3.387 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CC[C@@H](C)O2)cc1Cl ZINC000173979974 705480719 /nfs/dbraw/zinc/48/07/19/705480719.db2.gz HYZUQUGQOJZLNA-KWCYVHTRSA-N 0 3 364.829 3.344 20 30 FGEDHN C[C@@H]1CC[C@H](CCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)O1 ZINC000173978850 705481125 /nfs/dbraw/zinc/48/11/25/705481125.db2.gz ZEIRVYWBRLIAJR-RAIGVLPGSA-N 0 3 352.793 3.474 20 30 FGEDHN C=CCN1CCC(Nc2ncc(Br)c(OC(C)(C)C)n2)CC1 ZINC000439160808 714028544 /nfs/dbraw/zinc/02/85/44/714028544.db2.gz VPGYXTSNLDWOBU-UHFFFAOYSA-N 0 3 369.307 3.479 20 30 FGEDHN Fc1cccc(CN[C@@H]2CCN(CC(F)(F)F)C2)c1OCC(F)(F)F ZINC000623385931 715323877 /nfs/dbraw/zinc/32/38/77/715323877.db2.gz CVLFBWIYZRYKFN-LLVKDONJSA-N 0 3 374.300 3.493 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2C[C@@H](OCC)[C@@H]2OC)cc1OC ZINC000628238909 716128439 /nfs/dbraw/zinc/12/84/39/716128439.db2.gz TVIYIYFVSPMFCX-QGPMSJSTSA-N 0 3 355.862 3.195 20 30 FGEDHN C=CCC1(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCOCC1 ZINC000657633298 719685705 /nfs/dbraw/zinc/68/57/05/719685705.db2.gz LMSOKJLVCXKALI-UHFFFAOYSA-N 0 3 350.825 3.275 20 30 FGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000662086551 720373876 /nfs/dbraw/zinc/37/38/76/720373876.db2.gz VHAHAXJVNRUTPQ-GASCZTMLSA-N 0 3 354.372 3.384 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CCC1=O ZINC000783352941 724748473 /nfs/dbraw/zinc/74/84/73/724748473.db2.gz NEORULRVVUIECK-FOGDFJRCSA-N 0 3 350.777 3.132 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000679831579 722049362 /nfs/dbraw/zinc/04/93/62/722049362.db2.gz CTZYRXTZJZTYJC-OALUTQOASA-N 0 3 361.869 3.131 20 30 FGEDHN C=CCOC[C@@H]1CCC[C@@]12CN(c1ncccc1CN1CCCC1)CCO2 ZINC001164980312 722169727 /nfs/dbraw/zinc/16/97/27/722169727.db2.gz XKVAZCURFUKSTG-RBBKRZOGSA-N 0 3 371.525 3.256 20 30 FGEDHN CC(C)C[C@@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733796362 722500937 /nfs/dbraw/zinc/50/09/37/722500937.db2.gz FWCNNCWHZXFXBX-HUUCEWRRSA-N 0 3 357.479 3.219 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000746867620 722621240 /nfs/dbraw/zinc/62/12/40/722621240.db2.gz BNGXWIYBQXTHCJ-UHFFFAOYSA-N 0 3 363.299 3.027 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1Cl ZINC000754081991 722926433 /nfs/dbraw/zinc/92/64/33/722926433.db2.gz QQLPVTNIJJBQOY-MJGOQNOKSA-N 0 3 361.869 3.479 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000754530918 722940962 /nfs/dbraw/zinc/94/09/62/722940962.db2.gz FTHCRKLQCBIPTD-LBPRGKRZSA-N 0 3 367.232 3.357 20 30 FGEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000762040234 723209612 /nfs/dbraw/zinc/20/96/12/723209612.db2.gz PAWUSOSTPCCHPV-CBAPKCEASA-N 0 3 371.340 3.236 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000794356647 723513248 /nfs/dbraw/zinc/51/32/48/723513248.db2.gz YLFUACOXYZSDJU-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NCC2(S(C)(=O)=O)CCC2)cc1 ZINC000794829851 723548123 /nfs/dbraw/zinc/54/81/23/723548123.db2.gz RPOKDXSLPBERNE-CQSZACIVSA-N 0 3 357.903 3.436 20 30 FGEDHN C#CCCCN1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000766908069 723598073 /nfs/dbraw/zinc/59/80/73/723598073.db2.gz ZOKCITVCPHIHGT-UHFFFAOYSA-N 0 3 355.507 3.350 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC(F)(F)C2)cc1Cl ZINC000796633227 723647675 /nfs/dbraw/zinc/64/76/75/723647675.db2.gz ZSHLBQIAVQTJMF-ONGXEEELSA-N 0 3 356.756 3.431 20 30 FGEDHN CC1CCC(OCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)CC1 ZINC000796885364 723658223 /nfs/dbraw/zinc/65/82/23/723658223.db2.gz POSMXXHXPXNRPX-QWFMPGPPSA-N 0 3 362.857 3.260 20 30 FGEDHN C=CCc1cc(CN2CCC(N(C)CC(F)F)CC2)cc(OC)c1O ZINC000769511833 723688378 /nfs/dbraw/zinc/68/83/78/723688378.db2.gz WUKMXLAABTWAFT-UHFFFAOYSA-N 0 3 354.441 3.291 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(N(C)C)cc1 ZINC000774480943 723898779 /nfs/dbraw/zinc/89/87/79/723898779.db2.gz GJLXIRUCUIJOJX-CXAGYDPISA-N 0 3 354.479 3.142 20 30 FGEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000775575772 724002476 /nfs/dbraw/zinc/00/24/76/724002476.db2.gz YSJWIIJASPTYCN-INWMFGNUSA-N 0 3 354.372 3.193 20 30 FGEDHN CCCCCCCS(=O)(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000799790210 724096648 /nfs/dbraw/zinc/09/66/48/724096648.db2.gz HBVYQGVDYWVWSV-MRXNPFEDSA-N 0 3 354.516 3.116 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCOCC1 ZINC000786308641 724972211 /nfs/dbraw/zinc/97/22/11/724972211.db2.gz QVTNREWKOPFOQE-PWSUYJOCSA-N 0 3 355.221 3.457 20 30 FGEDHN C[C@@H]1CN(CCCCNc2cc(Br)cnc2C#N)C[C@H](C)O1 ZINC000787898220 725040320 /nfs/dbraw/zinc/04/03/20/725040320.db2.gz AYLVYPSQPVERRP-BETUJISGSA-N 0 3 367.291 3.017 20 30 FGEDHN COC(=O)CCN1CCC(N=Nc2ccnc3cc(Cl)ccc23)CC1 ZINC000788698253 725081874 /nfs/dbraw/zinc/08/18/74/725081874.db2.gz WUEVORTUEQGTLC-UHFFFAOYSA-N 0 3 360.845 3.315 20 30 FGEDHN CCOC(=O)C1(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)CCC1 ZINC000789340889 725122985 /nfs/dbraw/zinc/12/29/85/725122985.db2.gz CAAYWBWDVFFVBH-LBPRGKRZSA-N 0 3 362.813 3.111 20 30 FGEDHN N#Cc1cccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000810531896 725313030 /nfs/dbraw/zinc/31/30/30/725313030.db2.gz PWRMIRGUJAALDG-LLVKDONJSA-N 0 3 359.172 3.221 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccnn1C ZINC000817713325 727278416 /nfs/dbraw/zinc/27/84/16/727278416.db2.gz BQYHKMIMWRRZFS-GXSJLCMTSA-N 0 3 365.220 3.178 20 30 FGEDHN C#CCN(C)CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000818588779 727315349 /nfs/dbraw/zinc/31/53/49/727315349.db2.gz GLMFVPOOAJZDQE-UHFFFAOYSA-N 0 3 361.898 3.077 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)s1 ZINC000819541902 727381718 /nfs/dbraw/zinc/38/17/18/727381718.db2.gz ZTWZVQUQCDDTPY-CHWSQXEVSA-N 0 3 371.959 3.001 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000821167329 729065497 /nfs/dbraw/zinc/06/54/97/729065497.db2.gz REUHMLUJIPRDRF-MRVPVSSYSA-N 0 3 350.849 3.047 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1SCCN1CCCC1 ZINC000825123466 729371706 /nfs/dbraw/zinc/37/17/06/729371706.db2.gz WFIQLSAYMGUBDH-UHFFFAOYSA-N 0 3 362.474 3.370 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000829262304 729470592 /nfs/dbraw/zinc/47/05/92/729470592.db2.gz UDYPKVFLXJLGNB-INIZCTEOSA-N 0 3 359.857 3.315 20 30 FGEDHN C#CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000830316563 729549801 /nfs/dbraw/zinc/54/98/01/729549801.db2.gz XZDNXZBRFKAVGZ-AWEZNQCLSA-N 0 3 363.299 3.141 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]/C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000840704846 730164362 /nfs/dbraw/zinc/16/43/62/730164362.db2.gz BCJIOSXXIYKIDJ-DEDYPNTBSA-N 0 3 366.527 3.261 20 30 FGEDHN COCCN(C(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000844356105 730706625 /nfs/dbraw/zinc/70/66/25/730706625.db2.gz RAUMMJXWZRZDHV-RDJZCZTQSA-N 0 3 351.491 3.027 20 30 FGEDHN C#CCOc1ccc(Br)cc1CN[C@H]1COC2(CCC2)C1 ZINC000850368572 731349045 /nfs/dbraw/zinc/34/90/45/731349045.db2.gz ZTQVQWBHKQCXMR-OAHLLOKOSA-N 0 3 350.256 3.262 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)[C@@]1(O)CCCOC1 ZINC000850400412 731352739 /nfs/dbraw/zinc/35/27/39/731352739.db2.gz HQEFRUVTLWUTAF-LJQANCHMSA-N 0 3 351.874 3.009 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000850760561 731385939 /nfs/dbraw/zinc/38/59/39/731385939.db2.gz ACUGMIQRVZEGFP-GHJWDPDVSA-N 0 3 364.829 3.201 20 30 FGEDHN Cc1cc([C@@H](N)CC(=O)NC(C)(C)c2cccc(C#N)c2)cc(Cl)n1 ZINC000851641632 731481114 /nfs/dbraw/zinc/48/11/14/731481114.db2.gz NXYGEPQFPNCTBK-INIZCTEOSA-N 0 3 356.857 3.357 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852731849 731627016 /nfs/dbraw/zinc/62/70/16/731627016.db2.gz MXBDOKIOEQJVDW-RBUKOAKNSA-N 0 3 350.890 3.188 20 30 FGEDHN C#CCCN(CCOC)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000862418632 732830171 /nfs/dbraw/zinc/83/01/71/732830171.db2.gz QLZHHEBRNBINCM-UHFFFAOYSA-N 0 3 368.300 3.372 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(SC)c(Br)c2)CC1 ZINC000862486145 732840798 /nfs/dbraw/zinc/84/07/98/732840798.db2.gz XALQLNFTDYTXJL-UHFFFAOYSA-N 0 3 367.312 3.455 20 30 FGEDHN C=CCN1CCC(NC(=O)/C(C)=C\c2ccc(Br)o2)CC1 ZINC000865193913 733153861 /nfs/dbraw/zinc/15/38/61/733153861.db2.gz PMIBPHVITHNREL-QXMHVHEDSA-N 0 3 353.260 3.212 20 30 FGEDHN N#CC(C(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)NC1CC1 ZINC000870143733 733816661 /nfs/dbraw/zinc/81/66/61/733816661.db2.gz XUNWDNUISVTOPL-NSHDSACASA-N 0 3 351.189 3.270 20 30 FGEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000870174427 733820332 /nfs/dbraw/zinc/82/03/32/733820332.db2.gz SJUABWXMLCEDOT-GXFFZTMASA-N 0 3 363.389 3.179 20 30 FGEDHN CCO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCOCC1 ZINC000870379714 733845760 /nfs/dbraw/zinc/84/57/60/733845760.db2.gz DYRHZOKCKZIVHG-CJNGLKHVSA-N 0 3 356.344 3.108 20 30 FGEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCOCC1 ZINC000870379716 733845870 /nfs/dbraw/zinc/84/58/70/733845870.db2.gz DYRHZOKCKZIVHG-XJKSGUPXSA-N 0 3 356.344 3.108 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000876621487 736122640 /nfs/dbraw/zinc/12/26/40/736122640.db2.gz AGVWBEGPLJTXNW-MLGOLLRUSA-N 0 3 363.889 3.276 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000876703547 736134542 /nfs/dbraw/zinc/13/45/42/736134542.db2.gz YYJIJWSHZOFUBI-SKDRFNHKSA-N 0 3 355.225 3.037 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000876743786 736139294 /nfs/dbraw/zinc/13/92/94/736139294.db2.gz MCYBDSVLGHZEKN-ZDUSSCGKSA-N 0 3 360.310 3.302 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000876896831 736159461 /nfs/dbraw/zinc/15/94/61/736159461.db2.gz BNLZWGAUAKPFNC-GFCCVEGCSA-N 0 3 367.660 3.427 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000876904839 736160760 /nfs/dbraw/zinc/16/07/60/736160760.db2.gz LSIPSXUSZIVSFB-AWEZNQCLSA-N 0 3 357.679 3.112 20 30 FGEDHN C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)[C@H](N)CCCC#N ZINC000877256356 736201519 /nfs/dbraw/zinc/20/15/19/736201519.db2.gz SYJRVWHUIHTISF-SJLPKXTDSA-N 0 3 351.853 3.424 20 30 FGEDHN CC(C)OCCN1CCC(Nc2ncc(C#N)cc2Br)CC1 ZINC000882048081 737414702 /nfs/dbraw/zinc/41/47/02/737414702.db2.gz CJJOLZXOTTZYKA-UHFFFAOYSA-N 0 3 367.291 3.017 20 30 FGEDHN Cc1nc(-c2ccc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)cc2)cs1 ZINC000884060562 737629686 /nfs/dbraw/zinc/62/96/86/737629686.db2.gz DDBDMJXDTLVYGY-XAUUPUKJSA-N 0 3 352.463 3.196 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccc(Cl)c1Cl ZINC000884144241 737637407 /nfs/dbraw/zinc/63/74/07/737637407.db2.gz FJMUPCIKJBXNOL-NDMYFLRLSA-N 0 3 352.265 3.310 20 30 FGEDHN C#CCC1(NCc2cc(OC)c(Br)cc2F)CCOCC1 ZINC000886378967 739251600 /nfs/dbraw/zinc/25/16/00/739251600.db2.gz IGQCDRMVWCOJRU-UHFFFAOYSA-N 0 3 356.235 3.259 20 30 FGEDHN COC(=O)c1cncc([C@H](C)NCCSCc2ccccc2C#N)c1 ZINC000886514494 739264007 /nfs/dbraw/zinc/26/40/07/739264007.db2.gz QZUJGKWLMWMCON-AWEZNQCLSA-N 0 3 355.463 3.324 20 30 FGEDHN C#CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C1CCN(C)CC1 ZINC000886582457 739272154 /nfs/dbraw/zinc/27/21/54/739272154.db2.gz VOVQERXONHVCFN-KRWDZBQOSA-N 0 3 352.400 3.279 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)N(C)Cc2cc(C#N)cs2)N(C)C)cc1 ZINC000892409580 739998244 /nfs/dbraw/zinc/99/82/44/739998244.db2.gz IKDFXAWOZSTOSE-GOSISDBHSA-N 0 3 356.495 3.373 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892498123 740007171 /nfs/dbraw/zinc/00/71/71/740007171.db2.gz FAWUNQSNRWUYGB-DGCLKSJQSA-N 0 3 364.804 3.476 20 30 FGEDHN C#C[C@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000894869638 742344772 /nfs/dbraw/zinc/34/47/72/742344772.db2.gz ATEMYXMZUSPZPD-SJORKVTESA-N 0 3 364.283 3.441 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1C(F)(F)F ZINC000894984359 742361096 /nfs/dbraw/zinc/36/10/96/742361096.db2.gz XSVOZVIDJCXXLI-UHFFFAOYSA-N 0 3 350.344 3.229 20 30 FGEDHN C#C[C@@H](NCc1ccc(C(=O)OC)cc1C(F)(F)F)C1CCOCC1 ZINC000895332181 742398829 /nfs/dbraw/zinc/39/88/29/742398829.db2.gz HELBSOIQUKGZEQ-MRXNPFEDSA-N 0 3 355.356 3.010 20 30 FGEDHN C[C@H](NCCc1ccc(OCC(F)(F)F)nc1)c1cc(C#N)ccn1 ZINC000902959005 743792710 /nfs/dbraw/zinc/79/27/10/743792710.db2.gz AJUIHNMWBFFOOP-LBPRGKRZSA-N 0 3 350.344 3.183 20 30 FGEDHN C[C@@H](N[C@@H]1CCc2ncc(Br)n2C1)c1ccc(C#N)cc1F ZINC000903479959 743855454 /nfs/dbraw/zinc/85/54/54/743855454.db2.gz UBCCTCCVHBESNA-ZYHUDNBSSA-N 0 3 363.234 3.322 20 30 FGEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1OCC(F)(F)F ZINC000905082472 743991937 /nfs/dbraw/zinc/99/19/37/743991937.db2.gz WXFHCBISVXVMAE-JTTRITNRSA-N 0 3 353.300 3.069 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000921124560 758651968 /nfs/dbraw/zinc/65/19/68/758651968.db2.gz BQFADMLNOMBUHV-HNNXBMFYSA-N 0 3 354.292 3.060 20 30 FGEDHN CC(C)(C)N1C[C@H](CNCc2cc(C#N)ccc2Br)CC1=O ZINC000922261845 758881811 /nfs/dbraw/zinc/88/18/11/758881811.db2.gz RZNMJRQNAHOEBK-ZDUSSCGKSA-N 0 3 364.287 3.057 20 30 FGEDHN N#CCCc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000928400753 760184731 /nfs/dbraw/zinc/18/47/31/760184731.db2.gz HDZZGHUCKFYGGQ-GJZGRUSLSA-N 0 3 356.344 3.065 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1ccccc1Cl ZINC000960138353 762732673 /nfs/dbraw/zinc/73/26/73/762732673.db2.gz CONZFAOUGUCXRT-SCTDSRPQSA-N 0 3 362.901 3.402 20 30 FGEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC000961413595 762748299 /nfs/dbraw/zinc/74/82/99/762748299.db2.gz FERAKSLAEXPGRN-MANSERQUSA-N 0 3 366.933 3.257 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC000990734986 764558119 /nfs/dbraw/zinc/55/81/19/764558119.db2.gz BOJMPXSDLZVYCI-AESZEHBQSA-N 0 3 360.420 3.033 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2cccc(F)c2Cl)C1 ZINC000999428385 765160112 /nfs/dbraw/zinc/16/01/12/765160112.db2.gz QMOGRZQLTFPLRT-BOXZVXIZSA-N 0 3 366.864 3.149 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016867758 765825232 /nfs/dbraw/zinc/82/52/32/765825232.db2.gz NCINOIIWXTZLKQ-KQNSQRORSA-N 0 3 352.906 3.081 20 30 FGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001016873912 765826366 /nfs/dbraw/zinc/82/63/66/765826366.db2.gz RVWAWMNLCOGQMV-OTWHNJEPSA-N 0 3 356.897 3.438 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC001019407464 765855481 /nfs/dbraw/zinc/85/54/81/765855481.db2.gz BZOZQJIFFVXQIW-BBWFWOEESA-N 0 3 369.292 3.275 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001020163356 765864939 /nfs/dbraw/zinc/86/49/39/765864939.db2.gz NCQDVVBLGJIGPY-QAETUUGQSA-N 0 3 363.299 3.326 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC001020604748 765881763 /nfs/dbraw/zinc/88/17/63/765881763.db2.gz MOLCPJFBJVTTRI-ANQUJSFKSA-N 0 3 369.292 3.321 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001021407623 765936869 /nfs/dbraw/zinc/93/68/69/765936869.db2.gz RSORWJLKTYOEPG-AQBKWJQSSA-N 0 3 360.420 3.032 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001027415211 766091922 /nfs/dbraw/zinc/09/19/22/766091922.db2.gz GWYGJWFPBNLLGT-QRVBRYPASA-N 0 3 362.539 3.461 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001033086983 766204663 /nfs/dbraw/zinc/20/46/63/766204663.db2.gz NPOYGTRBYMSDQZ-QRVBRYPASA-N 0 3 362.539 3.195 20 30 FGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)CC2 ZINC001035732468 766265468 /nfs/dbraw/zinc/26/54/68/766265468.db2.gz DKKZTPHDLRKNFW-CVEARBPZSA-N 0 3 356.432 3.303 20 30 FGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC001040354832 766303985 /nfs/dbraw/zinc/30/39/85/766303985.db2.gz SZRSWJPCUSRLJO-SPYBWZPUSA-N 0 3 362.926 3.453 20 30 FGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC001040444170 766307150 /nfs/dbraw/zinc/30/71/50/766307150.db2.gz PRLCGVANWSGVBI-ZVDOUQERSA-N 0 3 356.897 3.391 20 30 FGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC001041410525 766331454 /nfs/dbraw/zinc/33/14/54/766331454.db2.gz XXUWDVNIZPCCPO-NUJGCVRESA-N 0 3 354.416 3.079 20 30 FGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC001041600008 766333427 /nfs/dbraw/zinc/33/34/27/766333427.db2.gz UDJOCGZYKGLCRG-SPYBWZPUSA-N 0 3 362.926 3.453 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1sccc1Cl ZINC001045207814 766517354 /nfs/dbraw/zinc/51/73/54/766517354.db2.gz KNXOBHWUIFWXGO-GUTXKFCHSA-N 0 3 354.903 3.073 20 30 FGEDHN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C(C#N)CCc1ccccc1 ZINC000567941179 505580043 /nfs/dbraw/zinc/58/00/43/505580043.db2.gz NPDCXPIJYOQFJS-DLBZAZTESA-N 0 3 351.454 3.125 20 30 FGEDHN CN(Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cn1 ZINC000579608508 505586243 /nfs/dbraw/zinc/58/62/43/505586243.db2.gz VJDNXSQOXZWLJH-SZPZYZBQSA-N 0 3 374.492 3.095 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000576810447 505600420 /nfs/dbraw/zinc/60/04/20/505600420.db2.gz IXBGOIAEIDZHRT-SFHVURJKSA-N 0 3 356.857 3.420 20 30 FGEDHN COc1cc(C#N)ccc1OCC(=O)N(CCN1CCCCCC1)C(C)C ZINC000576852123 505609433 /nfs/dbraw/zinc/60/94/33/505609433.db2.gz XHEDVKPWAQXCNC-UHFFFAOYSA-N 0 3 373.497 3.059 20 30 FGEDHN N#CCCC1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000571041373 505639281 /nfs/dbraw/zinc/63/92/81/505639281.db2.gz OVUBJIYYSSJKJJ-HXUWFJFHSA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCCCCCNC(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000568252376 505652672 /nfs/dbraw/zinc/65/26/72/505652672.db2.gz QEWRBIVWCFOYMZ-GOSISDBHSA-N 0 3 371.525 3.191 20 30 FGEDHN CC1(C)CCCc2cc(C#N)c(N3CCN(CC4CCOCC4)CC3)nc21 ZINC000571141826 505663342 /nfs/dbraw/zinc/66/33/42/505663342.db2.gz GDIKUDQXWGHMOE-UHFFFAOYSA-N 0 3 368.525 3.116 20 30 FGEDHN C=CCC1(C(=O)N2CCN(c3ccnc4ccccc43)CC2)CCOCC1 ZINC000577120409 505668183 /nfs/dbraw/zinc/66/81/83/505668183.db2.gz OTRWYJCBBPHKRV-UHFFFAOYSA-N 0 3 365.477 3.256 20 30 FGEDHN CO[C@H]1C[C@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCC2 ZINC000574017883 505674287 /nfs/dbraw/zinc/67/42/87/505674287.db2.gz HGVUTVQBGGIZAB-IRXDYDNUSA-N 0 3 373.522 3.374 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000580095819 505676120 /nfs/dbraw/zinc/67/61/20/505676120.db2.gz ILRLUWZNWBUGAD-HXUWFJFHSA-N 0 3 357.498 3.056 20 30 FGEDHN N#Cc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000047951173 493766327 /nfs/dbraw/zinc/76/63/27/493766327.db2.gz WYCHSSPWGCCVRA-QGZVFWFLSA-N 0 3 354.479 3.256 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC[C@H]2CCc3ccccc32)c1 ZINC000571197965 505677570 /nfs/dbraw/zinc/67/75/70/505677570.db2.gz BXBALKSUPRBWJA-GOSISDBHSA-N 0 3 354.475 3.042 20 30 FGEDHN C[C@H](NCC1(c2ccccc2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000075732725 493773945 /nfs/dbraw/zinc/77/39/45/493773945.db2.gz DTJDSJJNIHLCMW-SFHVURJKSA-N 0 3 369.509 3.056 20 30 FGEDHN COCCN(CCN(C)C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000568394048 505683963 /nfs/dbraw/zinc/68/39/63/505683963.db2.gz BTEMVPSCFQOUJF-UHFFFAOYSA-N 0 3 367.449 3.001 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1F ZINC000058397104 493849021 /nfs/dbraw/zinc/84/90/21/493849021.db2.gz VIMALELYKSZZMC-FQEVSTJZSA-N 0 3 356.441 3.485 20 30 FGEDHN CC[C@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000048981813 493855606 /nfs/dbraw/zinc/85/56/06/493855606.db2.gz SWMSUZGTKPKXGV-OAQYLSRUSA-N 0 3 362.477 3.194 20 30 FGEDHN CC1CCN(Cc2ccccc2CNS(=O)(=O)CCCCC#N)CC1 ZINC000068880673 493887621 /nfs/dbraw/zinc/88/76/21/493887621.db2.gz UIGUGOKNSNZCAF-UHFFFAOYSA-N 0 3 363.527 3.032 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccsc1 ZINC000050031496 493893376 /nfs/dbraw/zinc/89/33/76/493893376.db2.gz SOVUCNFDYDYOPG-SFHVURJKSA-N 0 3 356.495 3.231 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3)C2)c(F)c1 ZINC000068991625 493903599 /nfs/dbraw/zinc/90/35/99/493903599.db2.gz DSUPUQDAXZZTQP-MRXNPFEDSA-N 0 3 354.385 3.364 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1occc1Br)C(C)C ZINC000081758396 493951871 /nfs/dbraw/zinc/95/18/71/493951871.db2.gz CRQDICITGXSQNX-AWEZNQCLSA-N 0 3 355.276 3.471 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2OCCOCC)CC1 ZINC000076829285 493976492 /nfs/dbraw/zinc/97/64/92/493976492.db2.gz ZZDQJGRAMSQYTK-UHFFFAOYSA-N 0 3 364.873 3.039 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1F ZINC000069520517 493978629 /nfs/dbraw/zinc/97/86/29/493978629.db2.gz VIMALELYKSZZMC-HXUWFJFHSA-N 0 3 356.441 3.485 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000076972903 494001075 /nfs/dbraw/zinc/00/10/75/494001075.db2.gz NXOWNQJYVSBDIX-SFHVURJKSA-N 0 3 359.489 3.440 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077499530 494097666 /nfs/dbraw/zinc/09/76/66/494097666.db2.gz YJVCOYFPSDAINT-UHFFFAOYSA-N 0 3 365.412 3.165 20 30 FGEDHN COc1ccc(CNC[C@@H]2COc3ccccc3O2)cc1OCCCC#N ZINC000064613480 494138354 /nfs/dbraw/zinc/13/83/54/494138354.db2.gz NZDKRNAYXAXMFU-QGZVFWFLSA-N 0 3 368.433 3.307 20 30 FGEDHN COc1ccc(CNc2ccccc2CN2CCC(CO)CC2)cc1C#N ZINC000086257806 494147079 /nfs/dbraw/zinc/14/70/79/494147079.db2.gz VSZBQWBSNVCYIK-UHFFFAOYSA-N 0 3 365.477 3.383 20 30 FGEDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)N(CCC#N)CCC#N)cc1 ZINC000072761370 494246630 /nfs/dbraw/zinc/24/66/30/494246630.db2.gz IPIHHSYDWWWMGQ-UXHICEINSA-N 0 3 352.482 3.219 20 30 FGEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801679 494252667 /nfs/dbraw/zinc/25/26/67/494252667.db2.gz JUBIRIWSPJXKQG-FQEVSTJZSA-N 0 3 374.916 3.049 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1F ZINC000043480517 494299050 /nfs/dbraw/zinc/29/90/50/494299050.db2.gz XWKHDYGKARKRIW-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055159938 494308399 /nfs/dbraw/zinc/30/83/99/494308399.db2.gz RAKXKWXHUMMDML-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000073216074 494339609 /nfs/dbraw/zinc/33/96/09/494339609.db2.gz ZSQQPWQZDAXLTK-OAQYLSRUSA-N 0 3 371.525 3.420 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000073278078 494350027 /nfs/dbraw/zinc/35/00/27/494350027.db2.gz FXVSLMFEEWGPKX-GFCCVEGCSA-N 0 3 359.417 3.074 20 30 FGEDHN Cc1nc(NC(=O)C2Oc3ccccc3O[C@@H]2C)sc1SCC#N ZINC000044789992 494381530 /nfs/dbraw/zinc/38/15/30/494381530.db2.gz NYMKNEOMBBQYKM-MFKMUULPSA-N 0 3 361.448 3.234 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000073649442 494407986 /nfs/dbraw/zinc/40/79/86/494407986.db2.gz HURKGZSUGMAUOH-IFMALSPDSA-N 0 3 350.462 3.445 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(OCC(F)F)n1 ZINC000089964387 494416427 /nfs/dbraw/zinc/41/64/27/494416427.db2.gz RIIXIQUZPGOOAN-NSHDSACASA-N 0 3 356.332 3.102 20 30 FGEDHN C[C@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1cccc(C#N)c1 ZINC000073793630 494430355 /nfs/dbraw/zinc/43/03/55/494430355.db2.gz RRXOANKWVGWEKW-JXFKEZNVSA-N 0 3 350.466 3.091 20 30 FGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000090107789 494443029 /nfs/dbraw/zinc/44/30/29/494443029.db2.gz YTBDRYFDTKBMTM-HNNXBMFYSA-N 0 3 351.406 3.244 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(c3ccccc3)CC2)cc1 ZINC000073895132 494443990 /nfs/dbraw/zinc/44/39/90/494443990.db2.gz NIYVDEDWHGZMPM-NRFANRHFSA-N 0 3 350.462 3.372 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)NCc2cccc(C#N)c2)CC1 ZINC000045757549 494458194 /nfs/dbraw/zinc/45/81/94/494458194.db2.gz VZDYCEYKJNULIF-UHFFFAOYSA-N 0 3 362.477 3.331 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)COc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000079553910 494479715 /nfs/dbraw/zinc/47/97/15/494479715.db2.gz JZUOGQAABMYFID-FXAWDEMLSA-N 0 3 363.461 3.106 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC000090561686 494482534 /nfs/dbraw/zinc/48/25/34/494482534.db2.gz HQCVWHAYSZGTRH-KRWDZBQOSA-N 0 3 359.514 3.166 20 30 FGEDHN CCN1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000046033514 494489034 /nfs/dbraw/zinc/48/90/34/494489034.db2.gz ZJTLEUGIICTTPE-UHFFFAOYSA-N 0 3 370.375 3.105 20 30 FGEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1Oc1ccccc1 ZINC000571396641 505724145 /nfs/dbraw/zinc/72/41/45/505724145.db2.gz JAVQEMTUGSMOQC-ROUUACIJSA-N 0 3 353.466 3.336 20 30 FGEDHN COc1ccc(F)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000022850386 494538471 /nfs/dbraw/zinc/53/84/71/494538471.db2.gz YCQRTUWXFQFXRF-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN N#Cc1ccccc1OCCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000115674146 494591587 /nfs/dbraw/zinc/59/15/87/494591587.db2.gz BUOUBUPJMBNLCH-UHFFFAOYSA-N 0 3 353.441 3.284 20 30 FGEDHN COc1ccc([C@H](CNc2nnc(C)c(C)c2C#N)N2CCCC2)cc1 ZINC000024053370 494600711 /nfs/dbraw/zinc/60/07/11/494600711.db2.gz AGOBDTZEUDQHMP-IBGZPJMESA-N 0 3 351.454 3.223 20 30 FGEDHN C[C@H](Oc1ccc(F)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010662 494616362 /nfs/dbraw/zinc/61/63/62/494616362.db2.gz HNFBOTZQNHSHTE-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN N#Cc1ccncc1NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000091733102 494661275 /nfs/dbraw/zinc/66/12/75/494661275.db2.gz IGBCKJRJADNTHT-UHFFFAOYSA-N 0 3 350.466 3.436 20 30 FGEDHN CC[C@@H](CNC[C@@H](O)COc1ccc(C#N)cc1)Oc1cccc(C)c1 ZINC000577484952 505737853 /nfs/dbraw/zinc/73/78/53/505737853.db2.gz OCOLPKLHAAWFKS-MOPGFXCFSA-N 0 3 354.450 3.054 20 30 FGEDHN C=CCOc1ccc(CN2CCC(C(=O)N(C)C(C)C)CC2)cc1OC ZINC000091952605 494732312 /nfs/dbraw/zinc/73/23/12/494732312.db2.gz SPDWYGUXSWITPT-UHFFFAOYSA-N 0 3 360.498 3.339 20 30 FGEDHN N#Cc1cccc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000116224755 494736960 /nfs/dbraw/zinc/73/69/60/494736960.db2.gz FYNWPFWNMCEOTP-SFHVURJKSA-N 0 3 368.506 3.331 20 30 FGEDHN CN(CCC#N)C(=O)CCNC1(c2cccc(Br)c2)CCC1 ZINC000131849407 494753798 /nfs/dbraw/zinc/75/37/98/494753798.db2.gz GHYIYGJCBWUBIU-UHFFFAOYSA-N 0 3 364.287 3.180 20 30 FGEDHN N#Cc1cccc(OC2CCN(Cc3ccc(-n4cncn4)cc3)CC2)c1 ZINC000092034409 494761673 /nfs/dbraw/zinc/76/16/73/494761673.db2.gz GSWXAZDUMGIOGE-UHFFFAOYSA-N 0 3 359.433 3.182 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000025680099 494769108 /nfs/dbraw/zinc/76/91/08/494769108.db2.gz TWLQLUFZECJJPT-UHFFFAOYSA-N 0 3 353.447 3.443 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000108711808 494769390 /nfs/dbraw/zinc/76/93/90/494769390.db2.gz LXYQALJTXDAAIW-UHFFFAOYSA-N 0 3 373.456 3.421 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000116402868 494773640 /nfs/dbraw/zinc/77/36/40/494773640.db2.gz YQULLWIMYPPWST-MRXNPFEDSA-N 0 3 364.367 3.449 20 30 FGEDHN CCc1nn(C)c(Cl)c1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854068 494774207 /nfs/dbraw/zinc/77/42/07/494774207.db2.gz SWBSYLSIAPRXGB-UHFFFAOYSA-N 0 3 373.888 3.382 20 30 FGEDHN CC(C)(C)CCN1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075644583 494808675 /nfs/dbraw/zinc/80/86/75/494808675.db2.gz YEEZJXPKIKLTJC-UHFFFAOYSA-N 0 3 353.470 3.162 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1OC ZINC000093134219 494832632 /nfs/dbraw/zinc/83/26/32/494832632.db2.gz GOUNTXRSTMWZAB-KRWDZBQOSA-N 0 3 368.481 3.177 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(Cc1ccccc1)[C@H](C)CCO ZINC000093311066 494865575 /nfs/dbraw/zinc/86/55/75/494865575.db2.gz SBDMBISEZPPQHR-QGZVFWFLSA-N 0 3 354.450 3.219 20 30 FGEDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cccc(OCCCC#N)c1)CC2 ZINC000093613557 494905476 /nfs/dbraw/zinc/90/54/76/494905476.db2.gz CUDYCHPWISAECJ-VQTJNVASSA-N 0 3 358.482 3.121 20 30 FGEDHN C=CCc1cc(CN(CCC(N)=O)Cc2ccccc2)cc(OC)c1O ZINC000122095705 494922767 /nfs/dbraw/zinc/92/27/67/494922767.db2.gz BNBULNVNCLEZIR-UHFFFAOYSA-N 0 3 354.450 3.007 20 30 FGEDHN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)CCN1Cc1ccccc1 ZINC000093811124 494923533 /nfs/dbraw/zinc/92/35/33/494923533.db2.gz VBMIWKSZXXCSHI-GOSISDBHSA-N 0 3 359.477 3.302 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000127546198 494960193 /nfs/dbraw/zinc/96/01/93/494960193.db2.gz DAEDKBXFJRFURG-HXUWFJFHSA-N 0 3 367.405 3.043 20 30 FGEDHN C[C@H](C#N)CNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000580411102 505753851 /nfs/dbraw/zinc/75/38/51/505753851.db2.gz GIYLROPZLAWPJC-YLJYHZDGSA-N 0 3 368.525 3.478 20 30 FGEDHN CCn1cc(NC(=O)C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cn1 ZINC000118394806 494999651 /nfs/dbraw/zinc/99/96/51/494999651.db2.gz LQMQCTWRRFQLBQ-HNNXBMFYSA-N 0 3 351.454 3.186 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000122802870 495033582 /nfs/dbraw/zinc/03/35/82/495033582.db2.gz JFZLHNBPHOHEHR-UHFFFAOYSA-N 0 3 371.488 3.452 20 30 FGEDHN C[C@@H](COc1ccccc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000122870361 495044026 /nfs/dbraw/zinc/04/40/26/495044026.db2.gz BXFYWEMBHOAPOV-SFHVURJKSA-N 0 3 365.477 3.164 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000128363951 495085790 /nfs/dbraw/zinc/08/57/90/495085790.db2.gz AJLLERHZMRJXSZ-UWJYYQICSA-N 0 3 362.477 3.220 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000123142578 495087004 /nfs/dbraw/zinc/08/70/04/495087004.db2.gz OETPMXUXEKLLSO-DYESRHJHSA-N 0 3 363.461 3.258 20 30 FGEDHN CCN1CCC(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000111801724 495112940 /nfs/dbraw/zinc/11/29/40/495112940.db2.gz FCGBWXNFWOLVFR-UHFFFAOYSA-N 0 3 370.497 3.032 20 30 FGEDHN CN(CCC#N)c1ccc(CN[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000112383490 495182846 /nfs/dbraw/zinc/18/28/46/495182846.db2.gz FXGJRFGPEFJPHL-IBGZPJMESA-N 0 3 366.440 3.071 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1C ZINC000123770075 495183923 /nfs/dbraw/zinc/18/39/23/495183923.db2.gz FYMUOVKFRKDPEK-NVXWUHKLSA-N 0 3 367.449 3.285 20 30 FGEDHN CCCN1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000112424928 495189095 /nfs/dbraw/zinc/18/90/95/495189095.db2.gz LFNVPBJGPCQDCM-UHFFFAOYSA-N 0 3 352.385 3.109 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000112905844 495255103 /nfs/dbraw/zinc/25/51/03/495255103.db2.gz UYACPEIUVIPNLU-CYBMUJFWSA-N 0 3 354.853 3.403 20 30 FGEDHN COc1ccccc1NC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000129586907 495266215 /nfs/dbraw/zinc/26/62/15/495266215.db2.gz HOVABNJRAUYQFB-FQEVSTJZSA-N 0 3 351.450 3.177 20 30 FGEDHN C=CCNc1ncc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000129637797 495273214 /nfs/dbraw/zinc/27/32/14/495273214.db2.gz USRUMRQYSADCSC-RDJZCZTQSA-N 0 3 370.522 3.381 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000124455241 495290518 /nfs/dbraw/zinc/29/05/18/495290518.db2.gz UYKDCSOMCJYCCF-UHFFFAOYSA-N 0 3 369.509 3.488 20 30 FGEDHN CCn1nc(C(C)C)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000129885766 495310553 /nfs/dbraw/zinc/31/05/53/495310553.db2.gz FHNIZWXRQYQALR-UHFFFAOYSA-N 0 3 367.497 3.102 20 30 FGEDHN Cc1cccc(OC[C@@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104963117 495319047 /nfs/dbraw/zinc/31/90/47/495319047.db2.gz VQMPKGVVNOTPCE-IBGZPJMESA-N 0 3 366.461 3.150 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000120336931 495355394 /nfs/dbraw/zinc/35/53/94/495355394.db2.gz NQDLFKYDDCYTNG-GHTZIAJQSA-N 0 3 371.525 3.494 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000577697775 505777159 /nfs/dbraw/zinc/77/71/59/505777159.db2.gz QVIWDHVCEHBSHI-OAUYIBNBSA-N 0 3 373.522 3.373 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)[N-]C[C@@H]2CCOC2)cc1 ZINC000136531583 495385576 /nfs/dbraw/zinc/38/55/76/495385576.db2.gz AOXDSIQANZUWFM-KRWDZBQOSA-O 0 3 369.510 3.101 20 30 FGEDHN CCN(C(=O)c1ccnc(OCCN(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000136612637 495390423 /nfs/dbraw/zinc/39/04/23/495390423.db2.gz IHXFRNDHCIFXAA-MRXNPFEDSA-N 0 3 366.465 3.117 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114642650 495403424 /nfs/dbraw/zinc/40/34/24/495403424.db2.gz ABFOTVXCRQCMHB-YLJYHZDGSA-N 0 3 363.461 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000106037814 495406351 /nfs/dbraw/zinc/40/63/51/495406351.db2.gz ZOICJAGDIFSTSI-UHFFFAOYSA-N 0 3 370.522 3.323 20 30 FGEDHN O=C1C[C@@H]([C@H]2CCCCN2CC#Cc2ccc(C(F)(F)F)cc2)CN1 ZINC000125338577 495428991 /nfs/dbraw/zinc/42/89/91/495428991.db2.gz CDVHAOBDQAJUJS-NVXWUHKLSA-N 0 3 350.384 3.048 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(Cl)ccc2OC)CC1 ZINC000106260790 495440584 /nfs/dbraw/zinc/44/05/84/495440584.db2.gz HUBMMJLCDIIBEX-UHFFFAOYSA-N 0 3 351.878 3.188 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CCC2CCOCC2)cc1 ZINC000120749204 495449889 /nfs/dbraw/zinc/44/98/89/495449889.db2.gz JBEARLBWKZXCFW-GOSISDBHSA-N 0 3 357.498 3.379 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1)C(C)C ZINC000106533188 495463954 /nfs/dbraw/zinc/46/39/54/495463954.db2.gz YWQNZJCUEUZOOT-MSOLQXFVSA-N 0 3 359.518 3.345 20 30 FGEDHN N#CCc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000139991355 495487001 /nfs/dbraw/zinc/48/70/01/495487001.db2.gz RXYHTIUSDMKXDI-QGZVFWFLSA-N 0 3 353.491 3.456 20 30 FGEDHN CN(CCN1CCCC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115368092 495495693 /nfs/dbraw/zinc/49/56/93/495495693.db2.gz CAQDGHTZIFEUAN-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000106936695 495514827 /nfs/dbraw/zinc/51/48/27/495514827.db2.gz GUSNRSPRMNNJSI-YOEHRIQHSA-N 0 3 359.495 3.259 20 30 FGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131275035 495516163 /nfs/dbraw/zinc/51/61/63/495516163.db2.gz ZVLNZQVYEZBWCJ-SNRMKQJTSA-N 0 3 373.497 3.217 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000185353515 495544550 /nfs/dbraw/zinc/54/45/50/495544550.db2.gz PVVAOYUQXYILLW-PMACEKPBSA-N 0 3 370.541 3.045 20 30 FGEDHN Cc1cc(C(=O)NC2CCN(CCOc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000170777135 495600975 /nfs/dbraw/zinc/60/09/75/495600975.db2.gz WITLBBIAMQIVRY-UHFFFAOYSA-N 0 3 367.449 3.041 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179502373 495618871 /nfs/dbraw/zinc/61/88/71/495618871.db2.gz AWBQSSBWQLVTKO-QGZVFWFLSA-N 0 3 351.454 3.202 20 30 FGEDHN CC(C)Oc1ccc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000179531303 495629899 /nfs/dbraw/zinc/62/98/99/495629899.db2.gz MUBKAWXDZMKBLM-QFBILLFUSA-N 0 3 354.450 3.436 20 30 FGEDHN N#Cc1cccc(OCCCN[C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000179560472 495640363 /nfs/dbraw/zinc/64/03/63/495640363.db2.gz XSIFESCEYMNGJJ-NRFANRHFSA-N 0 3 363.461 3.280 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159115784 495663109 /nfs/dbraw/zinc/66/31/09/495663109.db2.gz UKDGUNHRKBLGRO-AGIUHOORSA-N 0 3 371.403 3.187 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000179666672 495682679 /nfs/dbraw/zinc/68/26/79/495682679.db2.gz QYNXGEXCARYVQN-FQEVSTJZSA-N 0 3 368.456 3.260 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cc(C)ccc2OC(F)F)CC1 ZINC000176586885 495710363 /nfs/dbraw/zinc/71/03/63/495710363.db2.gz DRGGVTONDBASGE-UHFFFAOYSA-N 0 3 353.413 3.046 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185764100 495716363 /nfs/dbraw/zinc/71/63/63/495716363.db2.gz CUCBFLOCLQWUTE-BQFCYCMXSA-N 0 3 363.527 3.450 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000151229140 495777726 /nfs/dbraw/zinc/77/77/26/495777726.db2.gz BXBMYMULGFQEEY-GOEBONIOSA-N 0 3 356.857 3.394 20 30 FGEDHN CC[C@H]1Oc2cc([C@@H](C)NCCOc3ccc(C#N)cc3)ccc2NC1=O ZINC000180019450 495825540 /nfs/dbraw/zinc/82/55/40/495825540.db2.gz FPEAZFQBRNKZPZ-AUUYWEPGSA-N 0 3 365.433 3.397 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180062093 495841293 /nfs/dbraw/zinc/84/12/93/495841293.db2.gz LXGCIQCDSUKXQL-IAQYHMDHSA-N 0 3 369.387 3.146 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183146966 495853850 /nfs/dbraw/zinc/85/38/50/495853850.db2.gz LQBIJXNKOIYJLP-UHFFFAOYSA-N 0 3 364.371 3.489 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180215922 495911949 /nfs/dbraw/zinc/91/19/49/495911949.db2.gz XYZCICIRFYQBLT-HIFRSBDPSA-N 0 3 371.387 3.151 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000580679879 505811996 /nfs/dbraw/zinc/81/19/96/505811996.db2.gz UEOJFJWJPCOJJI-YLJYHZDGSA-N 0 3 356.510 3.483 20 30 FGEDHN Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000568947559 505814392 /nfs/dbraw/zinc/81/43/92/505814392.db2.gz WOSFPYNOZXQACU-LJQANCHMSA-N 0 3 359.433 3.305 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000571785590 505814831 /nfs/dbraw/zinc/81/48/31/505814831.db2.gz WUBYMOYXROPPDT-IIBYNOLFSA-N 0 3 365.452 3.267 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-][C@@H]2CCCC[C@H]2C)c1 ZINC000151927174 495994602 /nfs/dbraw/zinc/99/46/02/495994602.db2.gz DTXYPTVBCNXUQN-NVXWUHKLSA-O 0 3 371.530 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCSCc2ccccc2F)CC1 ZINC000171702502 495995954 /nfs/dbraw/zinc/99/59/54/495995954.db2.gz GOERRIYMSJYSMT-UHFFFAOYSA-N 0 3 351.491 3.009 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)CC1 ZINC000171715182 496003719 /nfs/dbraw/zinc/00/37/19/496003719.db2.gz ZYSVCIFFJARPKI-ZDUSSCGKSA-N 0 3 356.388 3.239 20 30 FGEDHN C=CCN1CCC(NC(=O)CSCc2coc(-c3ccccc3)n2)CC1 ZINC000171718121 496004640 /nfs/dbraw/zinc/00/46/40/496004640.db2.gz KYTCQKUPISHGJH-UHFFFAOYSA-N 0 3 371.506 3.341 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000171727853 496009754 /nfs/dbraw/zinc/00/97/54/496009754.db2.gz NYZSYZBFQHPTSV-UHFFFAOYSA-N 0 3 362.271 3.311 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000171734341 496012675 /nfs/dbraw/zinc/01/26/75/496012675.db2.gz MEGVFUFYPZCJDX-KRWDZBQOSA-N 0 3 356.495 3.182 20 30 FGEDHN CCC[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000180478239 496014157 /nfs/dbraw/zinc/01/41/57/496014157.db2.gz HJFVRHHTIGYVNK-PMACEKPBSA-N 0 3 357.498 3.044 20 30 FGEDHN COc1cc([C@H](C)NCc2ccc(OCC#N)cc2)cc(OC)c1OC ZINC000180559031 496043855 /nfs/dbraw/zinc/04/38/55/496043855.db2.gz XMOUCKMFCBEBRH-AWEZNQCLSA-N 0 3 356.422 3.466 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)NC1(C#N)CCCCC1 ZINC000160865153 496056212 /nfs/dbraw/zinc/05/62/12/496056212.db2.gz LGWYZDYYDHEQDH-DLBZAZTESA-N 0 3 365.481 3.254 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183686237 496079201 /nfs/dbraw/zinc/07/92/01/496079201.db2.gz FFZNQQYZOFWCAC-IRXDYDNUSA-N 0 3 352.482 3.420 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186670127 496100535 /nfs/dbraw/zinc/10/05/35/496100535.db2.gz NQVBGPSGSCUULD-IBGZPJMESA-N 0 3 353.447 3.080 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000171945008 496103654 /nfs/dbraw/zinc/10/36/54/496103654.db2.gz FQRRKHQDGKLLIG-UHFFFAOYSA-N 0 3 374.444 3.016 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000177551822 496108856 /nfs/dbraw/zinc/10/88/56/496108856.db2.gz YKLYSHSYEDCCCV-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000183810542 496123221 /nfs/dbraw/zinc/12/32/21/496123221.db2.gz KURZJIAPAHKJMC-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN CCOc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000577948376 505825622 /nfs/dbraw/zinc/82/56/22/505825622.db2.gz ZHBHITFPIZRNQC-PGRDOPGGSA-N 0 3 366.461 3.364 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(CCC#N)CC2)c(OC)c1 ZINC000568996726 505826824 /nfs/dbraw/zinc/82/68/24/505826824.db2.gz ANFRWTPSLYDDTO-IBGZPJMESA-N 0 3 358.482 3.179 20 30 FGEDHN CN(CC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000156107359 496159406 /nfs/dbraw/zinc/15/94/06/496159406.db2.gz USAJYGVQUOQWMM-LJQANCHMSA-N 0 3 373.497 3.171 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000186811002 496163101 /nfs/dbraw/zinc/16/31/01/496163101.db2.gz VLCUMJZMLHBBLB-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000574677796 505829478 /nfs/dbraw/zinc/82/94/78/505829478.db2.gz KRHQILPLKMRLHN-GGAORHGYSA-N 0 3 366.505 3.224 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1nc2c(s1)COCC2)C(C)C ZINC000172259979 496233758 /nfs/dbraw/zinc/23/37/58/496233758.db2.gz FYJIMCAVMOXRJR-OAHLLOKOSA-N 0 3 364.515 3.036 20 30 FGEDHN COc1ccc(CNC[C@@H]2CSCCS2)cc1OCCCC#N ZINC000152782761 496255616 /nfs/dbraw/zinc/25/56/16/496255616.db2.gz XRLNVUUXAXJUKL-OAHLLOKOSA-N 0 3 352.525 3.316 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000153027226 496331493 /nfs/dbraw/zinc/33/14/93/496331493.db2.gz ZVLYQSNMVQGEPU-FQEVSTJZSA-N 0 3 371.444 3.454 20 30 FGEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccncc1 ZINC000175324275 496339935 /nfs/dbraw/zinc/33/99/35/496339935.db2.gz UUHNXNCPXCFKKB-FQEVSTJZSA-N 0 3 365.481 3.178 20 30 FGEDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1cccc(C#N)c1 ZINC000162516050 496365890 /nfs/dbraw/zinc/36/58/90/496365890.db2.gz QTMOLUGXECBLMD-LJQANCHMSA-N 0 3 372.856 3.382 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OCCOC)cc2Cl)CC1 ZINC000184430362 496380157 /nfs/dbraw/zinc/38/01/57/496380157.db2.gz PXQCEWDNIFEBCD-UHFFFAOYSA-N 0 3 366.889 3.136 20 30 FGEDHN Cc1ccc(SCCNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000571898278 505841928 /nfs/dbraw/zinc/84/19/28/505841928.db2.gz DWNWGAUKFRFXFV-UHFFFAOYSA-N 0 3 360.504 3.022 20 30 FGEDHN COc1ccc(C[C@H](C)CN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000153340669 496425050 /nfs/dbraw/zinc/42/50/50/496425050.db2.gz GPNMSDHLZMRIKQ-CSODHUTKSA-N 0 3 359.514 3.249 20 30 FGEDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(C#N)cc1 ZINC000181509391 496425102 /nfs/dbraw/zinc/42/51/02/496425102.db2.gz BDUBASFCFCJONR-BBWFWOEESA-N 0 3 350.466 3.418 20 30 FGEDHN COc1ccc(C[C@H](C)CN(C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000153340992 496425531 /nfs/dbraw/zinc/42/55/31/496425531.db2.gz GPNMSDHLZMRIKQ-FIKGOQFSSA-N 0 3 359.514 3.249 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CNCc1ccnc(-n2cccn2)c1 ZINC000187654239 496522590 /nfs/dbraw/zinc/52/25/90/496522590.db2.gz FAFXUCVMAHAWKS-UHFFFAOYSA-N 0 3 368.444 3.279 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000574773705 505853095 /nfs/dbraw/zinc/85/30/95/505853095.db2.gz MMDOTRYLYGMRQH-SFHVURJKSA-N 0 3 372.415 3.283 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2sc(CC)nc2C)CC1 ZINC000173198463 496588469 /nfs/dbraw/zinc/58/84/69/496588469.db2.gz QVSWAYYMJJXXAB-AWEZNQCLSA-N 0 3 350.532 3.367 20 30 FGEDHN C[C@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181916023 496598805 /nfs/dbraw/zinc/59/88/05/496598805.db2.gz HUFKAWMMPNRFSQ-ZFWWWQNUSA-N 0 3 371.387 3.323 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)ccc2-n2cc(C)cn2)CC1 ZINC000179002641 496641716 /nfs/dbraw/zinc/64/17/16/496641716.db2.gz VZTKWKVHMSWVJR-UHFFFAOYSA-N 0 3 353.470 3.261 20 30 FGEDHN CCN1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000158209390 496651155 /nfs/dbraw/zinc/65/11/55/496651155.db2.gz LUOPDUAOOCLFSH-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000182100789 496670822 /nfs/dbraw/zinc/67/08/22/496670822.db2.gz MOJIRXNOSINLHB-QGZVFWFLSA-N 0 3 367.518 3.428 20 30 FGEDHN COC(=O)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000188106014 496686394 /nfs/dbraw/zinc/68/63/94/496686394.db2.gz HSJJJJQQOUJQSU-LPHOPBHVSA-N 0 3 366.465 3.095 20 30 FGEDHN N#Cc1ccsc1C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000182282176 496725542 /nfs/dbraw/zinc/72/55/42/496725542.db2.gz AOUQIASOHGGNGY-UHFFFAOYSA-N 0 3 369.490 3.067 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2-c2ccccc2C)CC1 ZINC000182300108 496728180 /nfs/dbraw/zinc/72/81/80/496728180.db2.gz MFNGSLBCPFIHJK-UHFFFAOYSA-N 0 3 353.470 3.343 20 30 FGEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188338604 496756509 /nfs/dbraw/zinc/75/65/09/496756509.db2.gz KYYOEAVHNFUFLV-KRWDZBQOSA-N 0 3 351.425 3.291 20 30 FGEDHN C=CCC1(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCC1 ZINC000188488181 496807602 /nfs/dbraw/zinc/80/76/02/496807602.db2.gz QSFVIEGHLMZIBW-FQEVSTJZSA-N 0 3 355.526 3.228 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccccc3C)CCOCC2)CC1 ZINC000264449554 496903015 /nfs/dbraw/zinc/90/30/15/496903015.db2.gz CNHFQGGIPMIAPW-UHFFFAOYSA-N 0 3 356.510 3.200 20 30 FGEDHN CN(C)CCN(C(=O)Nc1ncccc1OCCCC#N)C1CCCC1 ZINC000188781109 496907420 /nfs/dbraw/zinc/90/74/20/496907420.db2.gz IGCROYMPGAFRLP-UHFFFAOYSA-N 0 3 359.474 3.102 20 30 FGEDHN CC(=O)[C@@H](C)CCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000269308017 496916617 /nfs/dbraw/zinc/91/66/17/496916617.db2.gz XKHPDWGESJWFHS-KRWDZBQOSA-N 0 3 357.498 3.234 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000191889153 496920619 /nfs/dbraw/zinc/92/06/19/496920619.db2.gz NLRPIZSPWHLDEV-PZJWPPBQSA-N 0 3 368.502 3.333 20 30 FGEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000269440259 496947860 /nfs/dbraw/zinc/94/78/60/496947860.db2.gz NMWAWQSYUMTPRF-BMGDILEWSA-N 0 3 359.470 3.232 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cccc(F)c1C#N ZINC000188945635 496955902 /nfs/dbraw/zinc/95/59/02/496955902.db2.gz IRSUOCUDVZOIJJ-UHFFFAOYSA-N 0 3 366.440 3.471 20 30 FGEDHN Cc1cccc(C[C@H](CO)NCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000189011656 496977614 /nfs/dbraw/zinc/97/76/14/496977614.db2.gz ZNIGMTPHDNGOKL-JOCHJYFZSA-N 0 3 374.488 3.465 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC2(O)CCC2)cc1OCC ZINC000236919601 497168044 /nfs/dbraw/zinc/16/80/44/497168044.db2.gz UTEWQNDZCSHPLF-UHFFFAOYSA-N 0 3 370.287 3.417 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000278723034 497201106 /nfs/dbraw/zinc/20/11/06/497201106.db2.gz VGJZQMCWOSLSRN-MLGOLLRUSA-N 0 3 373.434 3.164 20 30 FGEDHN CCOC(=O)C[C@](C)(N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000192792933 497215796 /nfs/dbraw/zinc/21/57/96/497215796.db2.gz PZOZULHMCZGLLK-NQIIRXRSSA-N 0 3 371.481 3.011 20 30 FGEDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000278772256 497216282 /nfs/dbraw/zinc/21/62/82/497216282.db2.gz GUQHTANKKWYILJ-HOTGVXAUSA-N 0 3 373.472 3.049 20 30 FGEDHN C[C@H](COc1ccc(C(C)(C)C)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000569265399 505892125 /nfs/dbraw/zinc/89/21/25/505892125.db2.gz FTRSLFFJXOVVOH-OAHLLOKOSA-N 0 3 363.465 3.456 20 30 FGEDHN C=CCC1(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCC1 ZINC000250744690 497269925 /nfs/dbraw/zinc/26/99/25/497269925.db2.gz QSFVIEGHLMZIBW-HXUWFJFHSA-N 0 3 355.526 3.228 20 30 FGEDHN COc1cc2c(cc1OC)CN(CCCOc1cccc(C#N)c1)CC2 ZINC000193229409 497328381 /nfs/dbraw/zinc/32/83/81/497328381.db2.gz HKZGDGJVTLWALA-UHFFFAOYSA-N 0 3 352.434 3.403 20 30 FGEDHN COc1ccccc1C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279404068 497429535 /nfs/dbraw/zinc/42/95/35/497429535.db2.gz VJSYPONQTXWQET-SFHVURJKSA-N 0 3 359.429 3.097 20 30 FGEDHN CC(C)CO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279463645 497446120 /nfs/dbraw/zinc/44/61/20/497446120.db2.gz URLMDCYFMBMASB-IBGZPJMESA-N 0 3 353.470 3.106 20 30 FGEDHN C=CCc1cc(CN[C@H]2CCCO[C@@H]2c2nccn2CC)cc(OC)c1O ZINC000190425102 497474839 /nfs/dbraw/zinc/47/48/39/497474839.db2.gz WHCPELIGZVMCMW-PXNSSMCTSA-N 0 3 371.481 3.356 20 30 FGEDHN CO[C@H]1CCC[C@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000279617954 497488048 /nfs/dbraw/zinc/48/80/48/497488048.db2.gz GMJZCUTWVBSCIW-PXNSSMCTSA-N 0 3 357.498 3.044 20 30 FGEDHN N#CCCn1cc(CN2CC[C@H]3OCCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000245701402 497508292 /nfs/dbraw/zinc/50/82/92/497508292.db2.gz DDBKAIPJROJPIN-AZUAARDMSA-N 0 3 350.466 3.465 20 30 FGEDHN Cc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)nn1CCC#N ZINC000272015602 497512880 /nfs/dbraw/zinc/51/28/80/497512880.db2.gz BJFKLQJOZIBOIS-HNNXBMFYSA-N 0 3 372.498 3.125 20 30 FGEDHN C[C@H](CCc1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190604633 497542259 /nfs/dbraw/zinc/54/22/59/497542259.db2.gz YQBBHQLJHQUCDY-IIBYNOLFSA-N 0 3 365.452 3.409 20 30 FGEDHN COc1ccc2c(c1)OC[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000272143491 497547253 /nfs/dbraw/zinc/54/72/53/497547253.db2.gz BSBIOVLTNJZQQK-IBGZPJMESA-N 0 3 374.444 3.061 20 30 FGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCC[C@H]1O ZINC000245911100 497568282 /nfs/dbraw/zinc/56/82/82/497568282.db2.gz FUPPCICZHNJHOE-AZUAARDMSA-N 0 3 352.482 3.447 20 30 FGEDHN CC(=O)c1cccc(OC[C@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000569352188 505914939 /nfs/dbraw/zinc/91/49/39/505914939.db2.gz JLKBCCWLEFJSJX-DENIHFKCSA-N 0 3 364.445 3.168 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000245930369 497576391 /nfs/dbraw/zinc/57/63/91/497576391.db2.gz ZXTKDSQNBJLOMF-DWLFOUALSA-N 0 3 366.461 3.055 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)c1 ZINC000575085736 505917247 /nfs/dbraw/zinc/91/72/47/505917247.db2.gz HHENZXKGMBWWDK-RCCFBDPRSA-N 0 3 352.438 3.124 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000267805333 497621335 /nfs/dbraw/zinc/62/13/35/497621335.db2.gz LFWZROWWENGVNS-UHFFFAOYSA-N 0 3 357.845 3.202 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000246108445 497624315 /nfs/dbraw/zinc/62/43/15/497624315.db2.gz XFFMAXMOFOAUQH-RBUKOAKNSA-N 0 3 350.418 3.200 20 30 FGEDHN C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1=CCN(C)CC1 ZINC000272664472 497695240 /nfs/dbraw/zinc/69/52/40/497695240.db2.gz IVLRUYZJXFULQI-KRWDZBQOSA-N 0 3 360.461 3.253 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246408753 497724539 /nfs/dbraw/zinc/72/45/39/497724539.db2.gz BWADYBDWYRDDFL-DLBZAZTESA-N 0 3 356.422 3.127 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(Br)cc1)C1CC1 ZINC000272835810 497741598 /nfs/dbraw/zinc/74/15/98/497741598.db2.gz IVIBSUKKLBZJDE-HNNXBMFYSA-N 0 3 358.301 3.091 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC000246509889 497758871 /nfs/dbraw/zinc/75/88/71/497758871.db2.gz IETJMUXCZQZXND-KXBFYZLASA-N 0 3 372.900 3.099 20 30 FGEDHN C[C@H](CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1 ZINC000277288682 497795624 /nfs/dbraw/zinc/79/56/24/497795624.db2.gz RAIHUKHLXMDOEN-QRWLVFNGSA-N 0 3 351.425 3.192 20 30 FGEDHN CC(C(=O)N[C@]1(C)CCCc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000329544798 497825170 /nfs/dbraw/zinc/82/51/70/497825170.db2.gz GHIVNJSLBXKFEB-AUUYWEPGSA-N 0 3 365.495 3.177 20 30 FGEDHN C[C@H]1CN(CC2CCN(C(=O)Nc3cc(C4CC4)ccn3)CC2)C[C@H](C)O1 ZINC000329545030 497825211 /nfs/dbraw/zinc/82/52/11/497825211.db2.gz ZCWURFKEDUNCLZ-HOTGVXAUSA-N 0 3 372.513 3.326 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000280626391 497832205 /nfs/dbraw/zinc/83/22/05/497832205.db2.gz LOIWCYLPOMEBPP-XJKSGUPXSA-N 0 3 357.903 3.204 20 30 FGEDHN N#Cc1c(NC(=O)CCN[C@H](CCO)c2ccccc2)sc2c1CCC2 ZINC000299530741 497837077 /nfs/dbraw/zinc/83/70/77/497837077.db2.gz DRXYUQIDINZGMP-QGZVFWFLSA-N 0 3 369.490 3.150 20 30 FGEDHN C[C@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1C ZINC000329601133 497841958 /nfs/dbraw/zinc/84/19/58/497841958.db2.gz KMAMSVQSTZVHBV-KBPBESRZSA-N 0 3 361.442 3.470 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000575174530 505936666 /nfs/dbraw/zinc/93/66/66/505936666.db2.gz IDMYBMDBALAVKK-SFHVURJKSA-N 0 3 373.497 3.273 20 30 FGEDHN C[C@@H]1N(CC(=O)NCc2cnn(-c3ccccc3)c2)CCC12CCOCC2 ZINC000329655942 497858869 /nfs/dbraw/zinc/85/88/69/497858869.db2.gz FZLYZVKOBYZZAW-KRWDZBQOSA-N 0 3 368.481 3.220 20 30 FGEDHN Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3CCCCN3C[C@@H]2C)c(C)c1 ZINC000329663135 497861996 /nfs/dbraw/zinc/86/19/96/497861996.db2.gz PTAAZXBYKLOLJU-IRXDYDNUSA-N 0 3 358.486 3.364 20 30 FGEDHN Cc1cc2cc(CNC(=O)N3CCN(C4CCOCC4)C[C@H]3C)ccc2[nH]1 ZINC000329698798 497873256 /nfs/dbraw/zinc/87/32/56/497873256.db2.gz FVLNNDUVQQUYGQ-MRXNPFEDSA-N 0 3 370.497 3.075 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCOC[C@H](C3CCC3)C1)CCC2 ZINC000292098024 497876216 /nfs/dbraw/zinc/87/62/16/497876216.db2.gz HONQAMDWPQEGDU-OAHLLOKOSA-N 0 3 373.522 3.186 20 30 FGEDHN C[C@H]1CC[C@H](C)N(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000329771393 497896823 /nfs/dbraw/zinc/89/68/23/497896823.db2.gz JUKPZPIEGORBOW-KBPBESRZSA-N 0 3 361.442 3.470 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329781633 497898926 /nfs/dbraw/zinc/89/89/26/497898926.db2.gz SVPXATOCINGTRD-DOTOQJQBSA-N 0 3 361.534 3.482 20 30 FGEDHN CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[C@H]2O)c2ccccc2)CC1 ZINC000329830030 497917159 /nfs/dbraw/zinc/91/71/59/497917159.db2.gz SIYYLIBDYWSMRM-XUVXKRRUSA-N 0 3 359.514 3.124 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296090156 497917293 /nfs/dbraw/zinc/91/72/93/497917293.db2.gz HKSUWNUXTIRYJP-GTYSZEQSSA-N 0 3 373.522 3.422 20 30 FGEDHN O=C(CN1C[C@@H]2CCC[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329847892 497924797 /nfs/dbraw/zinc/92/47/97/497924797.db2.gz YTKLASDQTSXPEV-KBPBESRZSA-N 0 3 359.426 3.082 20 30 FGEDHN O=C(CN1C[C@H]2CCC[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329847899 497925075 /nfs/dbraw/zinc/92/50/75/497925075.db2.gz YTKLASDQTSXPEV-ZIAGYGMSSA-N 0 3 359.426 3.082 20 30 FGEDHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)C1 ZINC000329936587 497959287 /nfs/dbraw/zinc/95/92/87/497959287.db2.gz LBTRKRHRFBPKTL-INIZCTEOSA-N 0 3 367.497 3.407 20 30 FGEDHN N#CCC[C@@H](C#N)CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000578499582 505955422 /nfs/dbraw/zinc/95/54/22/505955422.db2.gz RQTMCZKBYCDOKG-RDJZCZTQSA-N 0 3 350.388 3.313 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@H]2[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000285062420 497984318 /nfs/dbraw/zinc/98/43/18/497984318.db2.gz LQJZHJWEDYZRAK-RBUKOAKNSA-N 0 3 351.454 3.002 20 30 FGEDHN Cc1nn(C)c(C)c1[C@H](NC(=O)C1CCN(C2CC2)CC1)C(F)(F)F ZINC000330135807 498036061 /nfs/dbraw/zinc/03/60/61/498036061.db2.gz MZMDMJSUTBEMNE-HNNXBMFYSA-N 0 3 358.408 3.471 20 30 FGEDHN C[C@@H](CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)N1CCC(C)CC1 ZINC000330174803 498049909 /nfs/dbraw/zinc/04/99/09/498049909.db2.gz ZIOQBHIDZZHBHF-DFQSSKMNSA-N 0 3 359.514 3.388 20 30 FGEDHN CC[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1nc(C)cs1 ZINC000330258917 498083849 /nfs/dbraw/zinc/08/38/49/498083849.db2.gz MXNKBRQYWHEYAO-GOEBONIOSA-N 0 3 366.531 3.002 20 30 FGEDHN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285503439 498110511 /nfs/dbraw/zinc/11/05/11/498110511.db2.gz MWVLSEQHXHVXPE-JWTNVVGKSA-N 0 3 364.493 3.295 20 30 FGEDHN CC(C)(CNC(=O)N1CC[C@H](O)C12CCCC2)N1CCc2ccccc2C1 ZINC000330357635 498117549 /nfs/dbraw/zinc/11/75/49/498117549.db2.gz TUKFVVWIZKEYSZ-IBGZPJMESA-N 0 3 371.525 3.117 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000364731917 498118969 /nfs/dbraw/zinc/11/89/69/498118969.db2.gz WOCAMDRPLTWSCP-SFHVURJKSA-N 0 3 370.541 3.260 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3ccnn3C)ccc2C)CC1 ZINC000281394652 498134208 /nfs/dbraw/zinc/13/42/08/498134208.db2.gz VLAGMRSKBRTAAY-UHFFFAOYSA-N 0 3 353.470 3.167 20 30 FGEDHN CCN1CCC[C@@H](NC(=O)c2cc(Br)c(OC)c(OC)c2)C1 ZINC000330474484 498138656 /nfs/dbraw/zinc/13/86/56/498138656.db2.gz DCPDDLLHWAZLNI-GFCCVEGCSA-N 0 3 371.275 3.255 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNc2ccc(C#N)cc2F)CC1 ZINC000301531121 498151553 /nfs/dbraw/zinc/15/15/53/498151553.db2.gz PKMDFFIKGFFNKW-UHFFFAOYSA-N 0 3 352.457 3.447 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000296707617 498162854 /nfs/dbraw/zinc/16/28/54/498162854.db2.gz LODCJFKMEBFPSL-DLBZAZTESA-N 0 3 361.555 3.067 20 30 FGEDHN COc1ccc(SC)c(OC)c1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000330651516 498166462 /nfs/dbraw/zinc/16/64/62/498166462.db2.gz IIDRWGBOSWCUSC-CHWSQXEVSA-N 0 3 352.500 3.459 20 30 FGEDHN C[C@@H](NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)C1=CCN(C)CC1 ZINC000330777613 498191783 /nfs/dbraw/zinc/19/17/83/498191783.db2.gz UQDFCAVMJWOXPG-GFCCVEGCSA-N 0 3 364.877 3.402 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000281567025 498197809 /nfs/dbraw/zinc/19/78/09/498197809.db2.gz OJJBKXDZHOEWQZ-TZIWHRDSSA-N 0 3 371.525 3.274 20 30 FGEDHN CC(=O)NCc1ccc([C@@H]2CCCN2CCOc2ccc(C#N)cc2)o1 ZINC000364920652 498210482 /nfs/dbraw/zinc/21/04/82/498210482.db2.gz UXMKUMPVFUMBTN-IBGZPJMESA-N 0 3 353.422 3.003 20 30 FGEDHN N#Cc1cc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cnc1C(F)(F)F ZINC000292961301 498212531 /nfs/dbraw/zinc/21/25/31/498212531.db2.gz FXYHODHIFMFEJK-OAHLLOKOSA-N 0 3 366.387 3.063 20 30 FGEDHN C=C(C)CN1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301668369 498215859 /nfs/dbraw/zinc/21/58/59/498215859.db2.gz DDJLQOYHWIMZNF-UHFFFAOYSA-N 0 3 355.236 3.205 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292999108 498229410 /nfs/dbraw/zinc/22/94/10/498229410.db2.gz SOSRPRDXVSWINP-KXBFYZLASA-N 0 3 358.511 3.498 20 30 FGEDHN N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301745806 498249966 /nfs/dbraw/zinc/24/99/66/498249966.db2.gz OUGQYVCZQKUCCH-OAHLLOKOSA-N 0 3 368.403 3.053 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)NCC3CCC(C#N)CC3)c2)CC1 ZINC000281732523 498251337 /nfs/dbraw/zinc/25/13/37/498251337.db2.gz IBIPAYILQJJVBO-UHFFFAOYSA-N 0 3 369.513 3.280 20 30 FGEDHN CSC[C@H]1CCCN([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000331208587 498275744 /nfs/dbraw/zinc/27/57/44/498275744.db2.gz ZTHWESXNLFJETB-HOTGVXAUSA-N 0 3 363.527 3.429 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cscc2Br)CC1 ZINC000293135251 498280955 /nfs/dbraw/zinc/28/09/55/498280955.db2.gz RHPFUSMIJSADTN-UHFFFAOYSA-N 0 3 357.317 3.210 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@]23CC(C)(C)Oc2ccccc23)CC1 ZINC000365066980 498281103 /nfs/dbraw/zinc/28/11/03/498281103.db2.gz TZUDUYWGUUINBP-GCJKJVERSA-N 0 3 354.494 3.272 20 30 FGEDHN COc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1C#N ZINC000281859365 498294181 /nfs/dbraw/zinc/29/41/81/498294181.db2.gz ZVPASTIDIQEVQM-UHFFFAOYSA-N 0 3 365.477 3.065 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000289919987 498353206 /nfs/dbraw/zinc/35/32/06/498353206.db2.gz VBSVVKPMGFLATC-BLLLJJGKSA-N 0 3 361.467 3.025 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H](C)N1C ZINC000293454393 498390975 /nfs/dbraw/zinc/39/09/75/498390975.db2.gz PQIRFFUXPZLBRJ-SOUVJXGZSA-N 0 3 374.554 3.098 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000361666664 498416824 /nfs/dbraw/zinc/41/68/24/498416824.db2.gz BRSSNPDPDXLDAP-INIZCTEOSA-N 0 3 367.449 3.042 20 30 FGEDHN CO[C@]1(C)CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000331994816 498526061 /nfs/dbraw/zinc/52/60/61/498526061.db2.gz VKWCIGNLXWWOKO-LJQANCHMSA-N 0 3 361.511 3.328 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2ccc(C#N)cc2Br)CC1 ZINC000302702776 498538280 /nfs/dbraw/zinc/53/82/80/498538280.db2.gz XRSCZBWZNRPGBC-CQSZACIVSA-N 0 3 365.319 3.006 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000569925664 506049561 /nfs/dbraw/zinc/04/95/61/506049561.db2.gz QAIHBXSHMQYGIR-DYVFJYSZSA-N 0 3 355.467 3.219 20 30 FGEDHN N#Cc1nc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1Cl ZINC000302803952 498581702 /nfs/dbraw/zinc/58/17/02/498581702.db2.gz VPPGASOKUFJHTE-MRXNPFEDSA-N 0 3 356.857 3.310 20 30 FGEDHN C=CCCCCCN1CCCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000365864609 498677782 /nfs/dbraw/zinc/67/77/82/498677782.db2.gz TZZIHQBKHRNGHE-QGZVFWFLSA-N 0 3 350.507 3.421 20 30 FGEDHN Cc1cnn([C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000290798133 498682642 /nfs/dbraw/zinc/68/26/42/498682642.db2.gz FBADZAGJFFXCOF-HXUWFJFHSA-N 0 3 360.465 3.416 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000287236209 498683676 /nfs/dbraw/zinc/68/36/76/498683676.db2.gz JIPYNPWZOTZPPW-UHFFFAOYSA-N 0 3 370.497 3.001 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCc2ccccc2)cc1 ZINC000287439521 498756827 /nfs/dbraw/zinc/75/68/27/498756827.db2.gz WDNHYUPLYVBJPB-OAHLLOKOSA-N 0 3 371.462 3.079 20 30 FGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 ZINC000291073666 498782789 /nfs/dbraw/zinc/78/27/89/498782789.db2.gz MCPQKVAPXFRHFP-QGZVFWFLSA-N 0 3 363.461 3.469 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000576165548 506092075 /nfs/dbraw/zinc/09/20/75/506092075.db2.gz KIJGCLMIIKDXEL-KBAYOESNSA-N 0 3 350.890 3.083 20 30 FGEDHN CO[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000294810159 498812179 /nfs/dbraw/zinc/81/21/79/498812179.db2.gz NSBIBXJWDGDGGA-NRFANRHFSA-N 0 3 360.461 3.306 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000579116174 506097839 /nfs/dbraw/zinc/09/78/39/506097839.db2.gz JFCOFTJJGCQGKZ-LAUBAEHRSA-N 0 3 362.477 3.387 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3nc4c(cccc4F)[nH]3)CC2)cc1 ZINC000366281877 498856527 /nfs/dbraw/zinc/85/65/27/498856527.db2.gz CHIVBNXUZAYMRC-IBGZPJMESA-N 0 3 364.424 3.487 20 30 FGEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCN(c2cccc(F)c2)CC1 ZINC000363557184 498876833 /nfs/dbraw/zinc/87/68/33/498876833.db2.gz IEAVJOHNQFJITD-UHFFFAOYSA-N 0 3 372.488 3.069 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000581990306 506107454 /nfs/dbraw/zinc/10/74/54/506107454.db2.gz ACHHFPQALYOUCW-MBSDFSHPSA-N 0 3 374.440 3.395 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000333102992 498899957 /nfs/dbraw/zinc/89/99/57/498899957.db2.gz DALIBVXJFZJIPZ-UHFFFAOYSA-N 0 3 350.466 3.349 20 30 FGEDHN CCN1CCC(NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000328690320 498903539 /nfs/dbraw/zinc/90/35/39/498903539.db2.gz DJHDDAZVMFCFNO-MRXNPFEDSA-N 0 3 374.510 3.068 20 30 FGEDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1cn2c(n1)CCCC2 ZINC000328716470 498912350 /nfs/dbraw/zinc/91/23/50/498912350.db2.gz OWINXZQWZIXSKJ-UHFFFAOYSA-N 0 3 352.482 3.231 20 30 FGEDHN O=C(Nc1cc(Cl)ccc1O)C1CCN([C@H]2CCCNC2=O)CC1 ZINC000328719463 498914101 /nfs/dbraw/zinc/91/41/01/498914101.db2.gz GIMJLCFUPUDZPM-AWEZNQCLSA-N 0 3 351.834 3.465 20 30 FGEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328821900 498949297 /nfs/dbraw/zinc/94/92/97/498949297.db2.gz PAGFNOXZLQYXNT-PAYONLEZSA-N 0 3 366.889 3.487 20 30 FGEDHN N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000333302076 498971915 /nfs/dbraw/zinc/97/19/15/498971915.db2.gz MMQWREFWBFVMNR-NRFANRHFSA-N 0 3 366.509 3.004 20 30 FGEDHN C[C@@H]1CC(=O)N[C@H](C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000328892361 498976527 /nfs/dbraw/zinc/97/65/27/498976527.db2.gz UEFDWNUVAYOODU-GJZGRUSLSA-N 0 3 353.532 3.450 20 30 FGEDHN CC(C)c1ccc2ncc(C#N)c(N3CCN(C[C@H]4CCOC4)CC3)c2c1 ZINC000333334365 498982741 /nfs/dbraw/zinc/98/27/41/498982741.db2.gz RNBWLYNAKWPTNL-QGZVFWFLSA-N 0 3 364.493 3.388 20 30 FGEDHN CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328936937 498991648 /nfs/dbraw/zinc/99/16/48/498991648.db2.gz CTJAGTRGXCVENK-OQKHSGFDSA-N 0 3 360.498 3.477 20 30 FGEDHN N#Cc1ccc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000582065825 506125542 /nfs/dbraw/zinc/12/55/42/506125542.db2.gz GHDZLLSVTQVARJ-AQNXPRMDSA-N 0 3 363.417 3.471 20 30 FGEDHN C[C@@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363836820 499018704 /nfs/dbraw/zinc/01/87/04/499018704.db2.gz WAYIQDJPLDOJIA-CYBMUJFWSA-N 0 3 354.479 3.201 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000363855602 499026567 /nfs/dbraw/zinc/02/65/67/499026567.db2.gz QKQOPPBFWZFJNC-UHFFFAOYSA-N 0 3 364.449 3.073 20 30 FGEDHN Cc1c(NC(=O)N2CCCC23CCN(C)CC3)cnn1-c1ccccc1F ZINC000329059165 499029862 /nfs/dbraw/zinc/02/98/62/499029862.db2.gz JBIYEERDHAYICD-UHFFFAOYSA-N 0 3 371.460 3.426 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1C(F)F ZINC000329094675 499040863 /nfs/dbraw/zinc/04/08/63/499040863.db2.gz KPEXIRHEFCJRQY-QWHCGFSZSA-N 0 3 355.433 3.191 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000366724992 499049491 /nfs/dbraw/zinc/04/94/91/499049491.db2.gz QTGHGPPKXGIEFN-CUWPLCDZSA-N 0 3 371.525 3.492 20 30 FGEDHN CC(C)Cn1ncc2cc(C(=O)N[C@@H]3CCN(C4CCCC4)C3)cnc21 ZINC000329185877 499066311 /nfs/dbraw/zinc/06/63/11/499066311.db2.gz QJZBXOYCEHOGDG-QGZVFWFLSA-N 0 3 355.486 3.409 20 30 FGEDHN CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccn1 ZINC000329271466 499088359 /nfs/dbraw/zinc/08/83/59/499088359.db2.gz IBXFSNDSYGTPBW-WDSOQIARSA-N 0 3 374.529 3.335 20 30 FGEDHN O=C(CCC(=O)N1CCSc2ccccc21)N[C@@H]1CCN(C2CC2)C1 ZINC000329280219 499090573 /nfs/dbraw/zinc/09/05/73/499090573.db2.gz KHQOJXKOIUOXEE-CQSZACIVSA-N 0 3 359.495 3.099 20 30 FGEDHN Cc1nc([C@H]2CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)no1 ZINC000329328840 499100995 /nfs/dbraw/zinc/10/09/95/499100995.db2.gz VAXCBWTUELLYFA-GOSISDBHSA-N 0 3 369.469 3.094 20 30 FGEDHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N[C@@H](C)C3)cc2)CC1 ZINC000329341089 499103432 /nfs/dbraw/zinc/10/34/32/499103432.db2.gz OSUFUNALSIKDDC-LPHOPBHVSA-N 0 3 372.513 3.036 20 30 FGEDHN O=C(Nc1c[nH]nc1[C@@H]1CCCN(CC2(O)CCC2)C1)c1ccccc1 ZINC000329388815 499113634 /nfs/dbraw/zinc/11/36/34/499113634.db2.gz RMGXHFUHMCZTKB-MRXNPFEDSA-N 0 3 354.454 3.140 20 30 FGEDHN CN1CC[C@H](NCc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)cc1 ZINC000366935290 499118546 /nfs/dbraw/zinc/11/85/46/499118546.db2.gz SPCZMHSVTQDPMA-AZUAARDMSA-N 0 3 365.868 3.394 20 30 FGEDHN CN1CC[C@@H](NCc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(F)c(F)c1 ZINC000366935565 499118958 /nfs/dbraw/zinc/11/89/58/499118958.db2.gz UBSHBRMSNJYJAE-QUCCMNQESA-N 0 3 367.403 3.019 20 30 FGEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)C3=CCN(C)CC3)C2)n1 ZINC000329515471 499128738 /nfs/dbraw/zinc/12/87/38/499128738.db2.gz ONMRMVCKRRHBHW-LPHOPBHVSA-N 0 3 367.497 3.085 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000576330452 506132313 /nfs/dbraw/zinc/13/23/13/506132313.db2.gz UHEVIAWZSRCUEJ-OAQYLSRUSA-N 0 3 360.461 3.143 20 30 FGEDHN COc1cc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)ccc1C#N ZINC000367098235 499148340 /nfs/dbraw/zinc/14/83/40/499148340.db2.gz FKRXMWFHHGFKEX-DNVCBOLYSA-N 0 3 355.463 3.080 20 30 FGEDHN COc1cc(CN[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)ccc1C#N ZINC000367098230 499148413 /nfs/dbraw/zinc/14/84/13/499148413.db2.gz FKRXMWFHHGFKEX-BEFAXECRSA-N 0 3 355.463 3.080 20 30 FGEDHN COc1cc(CNCc2ccc(-n3ccnc3C)c(F)c2)ccc1C#N ZINC000367097352 499148472 /nfs/dbraw/zinc/14/84/72/499148472.db2.gz AJRYTXUVDZADCE-UHFFFAOYSA-N 0 3 350.397 3.490 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)NC2CCN(CCc3ccncc3)CC2)c1 ZINC000367142896 499153840 /nfs/dbraw/zinc/15/38/40/499153840.db2.gz BUZJIMIQQBBZBY-UHFFFAOYSA-N 0 3 368.868 3.044 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000369965728 499158717 /nfs/dbraw/zinc/15/87/17/499158717.db2.gz RLWCRWQZBOGXFE-IBGZPJMESA-N 0 3 358.482 3.387 20 30 FGEDHN C=CCC[C@@H](O)CN1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000370072689 499174938 /nfs/dbraw/zinc/17/49/38/499174938.db2.gz XUTFCZAZEZNZGR-MRXNPFEDSA-N 0 3 357.454 3.252 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3ccncc3OCC(F)F)CC2)cc1 ZINC000367613728 499217922 /nfs/dbraw/zinc/21/79/22/499217922.db2.gz DIYPLWLFBZSCHY-UHFFFAOYSA-N 0 3 372.419 3.356 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1F ZINC000367629249 499219579 /nfs/dbraw/zinc/21/95/79/499219579.db2.gz BTSPPNGDWXZYQR-XOBRGWDASA-N 0 3 371.460 3.025 20 30 FGEDHN C=CCC[C@H](NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1ccccc1 ZINC000370898869 499268600 /nfs/dbraw/zinc/26/86/00/499268600.db2.gz HJFBXBDZJSUXJC-SFTDATJTSA-N 0 3 370.541 3.115 20 30 FGEDHN CCCCCCCCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371228791 499300088 /nfs/dbraw/zinc/30/00/88/499300088.db2.gz YLGYGMSOGQTRSK-UXHICEINSA-N 0 3 366.594 3.404 20 30 FGEDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000371336497 499312508 /nfs/dbraw/zinc/31/25/08/499312508.db2.gz PPXANWGTYMKXRR-PMSBKCLSSA-N 0 3 350.466 3.342 20 30 FGEDHN COc1ccc(CN2CCC[C@H](Cc3nnc4ccccn43)C2)cc1C#N ZINC000368655343 499317924 /nfs/dbraw/zinc/31/79/24/499317924.db2.gz JXDJYVQWTNNDOO-MRXNPFEDSA-N 0 3 361.449 3.064 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000371517698 499337024 /nfs/dbraw/zinc/33/70/24/499337024.db2.gz LZFPQFNWHXEBKK-NRFANRHFSA-N 0 3 361.445 3.385 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC3(CCOCC3)[C@@H]2C)cc1C ZINC000368836107 499337896 /nfs/dbraw/zinc/33/78/96/499337896.db2.gz WDEVMSVTACEXAP-IBGZPJMESA-N 0 3 369.509 3.441 20 30 FGEDHN COCCn1ncc2c1[C@@H](NCc1ccc(N(C)CCC#N)cc1)CCC2 ZINC000368840927 499338268 /nfs/dbraw/zinc/33/82/68/499338268.db2.gz BRBSBKUCQNKYLI-FQEVSTJZSA-N 0 3 367.497 3.047 20 30 FGEDHN CCCN1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000371639760 499349325 /nfs/dbraw/zinc/34/93/25/499349325.db2.gz WDLBVCWDPRJJQB-QGZVFWFLSA-N 0 3 374.554 3.437 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000369155694 499371879 /nfs/dbraw/zinc/37/18/79/499371879.db2.gz DTUBJQLMANQHAN-QFIPXVFZSA-N 0 3 373.456 3.379 20 30 FGEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369166257 499373463 /nfs/dbraw/zinc/37/34/63/499373463.db2.gz XHTUOQGRCOCUGM-LJQANCHMSA-N 0 3 365.477 3.288 20 30 FGEDHN C[C@@H](N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)s1 ZINC000369225397 499379621 /nfs/dbraw/zinc/37/96/21/499379621.db2.gz IVSIGFKUCYKQSJ-ZBFHGGJFSA-N 0 3 363.490 3.468 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](COc3ccccc3)C2)CC1 ZINC000369505204 499410116 /nfs/dbraw/zinc/41/01/16/499410116.db2.gz HNOKAWCIEINVTG-GOSISDBHSA-N 0 3 357.498 3.137 20 30 FGEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1ccccc1 ZINC000372291131 499417051 /nfs/dbraw/zinc/41/70/51/499417051.db2.gz GKKIWZIGRIFLBV-VURPSTOHSA-N 0 3 356.510 3.352 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000372391639 499428148 /nfs/dbraw/zinc/42/81/48/499428148.db2.gz FEYXAYGZDZOIPR-UHFFFAOYSA-N 0 3 363.461 3.334 20 30 FGEDHN Cn1nccc1[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000373021014 499447774 /nfs/dbraw/zinc/44/77/74/499447774.db2.gz DQXSCOAONJBLSJ-HNNXBMFYSA-N 0 3 371.872 3.153 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@H]2CCC[C@@H]2N2CCOCC2)cc1 ZINC000373188265 499456177 /nfs/dbraw/zinc/45/61/77/499456177.db2.gz SRMJAAIQJFLWEN-GIVPXCGWSA-N 0 3 357.498 3.131 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(Cc4ccccc4C3)C2)cc1 ZINC000373444883 499470009 /nfs/dbraw/zinc/47/00/09/499470009.db2.gz YKTPHAYRYRBXOV-OAQYLSRUSA-N 0 3 355.441 3.258 20 30 FGEDHN N#Cc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373467688 499471586 /nfs/dbraw/zinc/47/15/86/499471586.db2.gz SEKAKQZKJKUUPZ-UHFFFAOYSA-N 0 3 351.372 3.093 20 30 FGEDHN Cc1nc(C)n(C[C@H]2CCCN2Cc2cccn2Cc2ccccc2C#N)n1 ZINC000375358889 499510454 /nfs/dbraw/zinc/51/04/54/499510454.db2.gz YOBJRUYPNJVTBP-JOCHJYFZSA-N 0 3 374.492 3.281 20 30 FGEDHN N#CC1(CCCN2Cc3ccccc3[C@H](n3cccn3)C2)CCOCC1 ZINC000375599120 499536662 /nfs/dbraw/zinc/53/66/62/499536662.db2.gz RZXFZVIIWIAZGW-HXUWFJFHSA-N 0 3 350.466 3.389 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](n3cc4ccccc4n3)C2)cc1 ZINC000375682838 499544985 /nfs/dbraw/zinc/54/49/85/499544985.db2.gz LHEFPJIADJFUQQ-UXHICEINSA-N 0 3 369.428 3.064 20 30 FGEDHN N#Cc1ccc(OC2CCN(CCCO[C@H]3CCCCO3)CC2)c(F)c1 ZINC000375756834 499552090 /nfs/dbraw/zinc/55/20/90/499552090.db2.gz XIQUZEXFMGRRNI-FQEVSTJZSA-N 0 3 362.445 3.474 20 30 FGEDHN COC(=O)c1csc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000375804440 499557240 /nfs/dbraw/zinc/55/72/40/499557240.db2.gz IDHJBUKKKHKKNY-ZDUSSCGKSA-N 0 3 370.478 3.121 20 30 FGEDHN Cc1cc(C)c(C#N)c(NCC2(O)CCN(Cc3ccccc3)CC2)n1 ZINC000397496039 499564367 /nfs/dbraw/zinc/56/43/67/499564367.db2.gz ASFHUOSUZRFMOV-UHFFFAOYSA-N 0 3 350.466 3.009 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000376714495 499631210 /nfs/dbraw/zinc/63/12/10/499631210.db2.gz CHSLKBCRHRDFEZ-GOSISDBHSA-N 0 3 365.383 3.220 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ncc(C#N)cc1Cl ZINC000410547313 499667360 /nfs/dbraw/zinc/66/73/60/499667360.db2.gz OMEVRGUUKDJRKG-KBXCAEBGSA-N 0 3 368.868 3.247 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@H](c3nnc[nH]3)c3ccccc3)CC2)cc1 ZINC000377622341 499711857 /nfs/dbraw/zinc/71/18/57/499711857.db2.gz YFPRFDHAWCWYBM-FQEVSTJZSA-N 0 3 358.449 3.024 20 30 FGEDHN N#Cc1ncn(C2CCN(CCn3ccc4cc(Cl)ccc43)CC2)n1 ZINC000377646574 499714891 /nfs/dbraw/zinc/71/48/91/499714891.db2.gz HLDLOJGNHHFLPC-UHFFFAOYSA-N 0 3 354.845 3.095 20 30 FGEDHN COC[C@@]1(CNCc2ccc(O[C@H](C)C#N)cc2)OCCc2ccccc21 ZINC000377719232 499724967 /nfs/dbraw/zinc/72/49/67/499724967.db2.gz FKMFJELMNRVMTM-VGOFRKELSA-N 0 3 366.461 3.182 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(-c3ccncc3)cc2)CC1 ZINC000377786691 499733366 /nfs/dbraw/zinc/73/33/66/499733366.db2.gz MINNWAPPISVKLQ-UHFFFAOYSA-N 0 3 350.466 3.198 20 30 FGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411641899 499772213 /nfs/dbraw/zinc/77/22/13/499772213.db2.gz MLVXFMBGDGARRL-ZDUSSCGKSA-N 0 3 368.865 3.015 20 30 FGEDHN OCC1([C@@H](NCC#Cc2ccc(F)cc2)c2ccccc2)CCOCC1 ZINC000412005673 499812241 /nfs/dbraw/zinc/81/22/41/499812241.db2.gz BMZUEEIOYQJBDC-NRFANRHFSA-N 0 3 353.437 3.297 20 30 FGEDHN C=CCCCCCN(C)C(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000414864924 499839202 /nfs/dbraw/zinc/83/92/02/499839202.db2.gz DJVVHUCXPNWOEX-UHFFFAOYSA-N 0 3 371.403 3.307 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000414999720 499853401 /nfs/dbraw/zinc/85/34/01/499853401.db2.gz KRGCBGHTGJAOCK-UHFFFAOYSA-N 0 3 353.466 3.068 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415008357 499854563 /nfs/dbraw/zinc/85/45/63/499854563.db2.gz SKXOZKUTVDQQGA-IBGZPJMESA-N 0 3 364.449 3.354 20 30 FGEDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000415581460 499903777 /nfs/dbraw/zinc/90/37/77/499903777.db2.gz SKYVKNAIWCDEDD-QGZVFWFLSA-N 0 3 353.470 3.499 20 30 FGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC000428871560 499951622 /nfs/dbraw/zinc/95/16/22/499951622.db2.gz JQULKOBVZPAEKR-PZJWPPBQSA-N 0 3 370.541 3.150 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416140715 499955420 /nfs/dbraw/zinc/95/54/20/499955420.db2.gz VVXQDRSSVRKJFJ-NRFANRHFSA-N 0 3 365.477 3.226 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(C(F)(F)F)nc3ccccn32)CC1 ZINC000416152103 499960503 /nfs/dbraw/zinc/96/05/03/499960503.db2.gz UVPGNIVSMCAQBW-UHFFFAOYSA-N 0 3 366.387 3.123 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000424969523 499979714 /nfs/dbraw/zinc/97/97/14/499979714.db2.gz BLQNLQWUZNFKKX-LZLYRXPVSA-N 0 3 365.399 3.249 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc([C@H](C)C(=O)OC)cc2)CC1 ZINC000417432723 500073623 /nfs/dbraw/zinc/07/36/23/500073623.db2.gz LYCWVAYRZBQWLX-HNNXBMFYSA-N 0 3 359.470 3.125 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000416699916 500091054 /nfs/dbraw/zinc/09/10/54/500091054.db2.gz XYNWDYADPCQSSB-GOSISDBHSA-N 0 3 363.452 3.332 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000421702785 500121994 /nfs/dbraw/zinc/12/19/94/500121994.db2.gz KSLZODDHMKXLJE-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000429710333 500128772 /nfs/dbraw/zinc/12/87/72/500128772.db2.gz VTOJPCOBRDQSDR-UHFFFAOYSA-N 0 3 353.894 3.035 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)s1 ZINC000421926021 500177864 /nfs/dbraw/zinc/17/78/64/500177864.db2.gz WOQKCOAQUBJUFH-HNNXBMFYSA-N 0 3 357.454 3.287 20 30 FGEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(OCC(F)F)cc3)C2)nc1 ZINC000430188107 500206150 /nfs/dbraw/zinc/20/61/50/500206150.db2.gz REEJGWJIWJSCHI-KRWDZBQOSA-N 0 3 359.376 3.250 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCC1(CC#N)CC1)c1cccc(OC)c1 ZINC000430193456 500206485 /nfs/dbraw/zinc/20/64/85/500206485.db2.gz ROFVFIGKBQGXCQ-GOSISDBHSA-N 0 3 358.486 3.071 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000573395230 506186346 /nfs/dbraw/zinc/18/63/46/506186346.db2.gz PBQRZZZCGKXIGO-HMXCVIKNSA-N 0 3 371.525 3.287 20 30 FGEDHN C=CC[C@H](C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000427261598 500375089 /nfs/dbraw/zinc/37/50/89/500375089.db2.gz ZFDGWEHUVDRSHI-JTHBVZDNSA-N 0 3 364.489 3.100 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000582353127 506194672 /nfs/dbraw/zinc/19/46/72/506194672.db2.gz PUYNNFZYXVCOOI-PBHICJAKSA-N 0 3 361.511 3.018 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000424082618 500449620 /nfs/dbraw/zinc/44/96/20/500449620.db2.gz AGMIYLSLTORUJH-HXUWFJFHSA-N 0 3 351.450 3.041 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000424116587 500456594 /nfs/dbraw/zinc/45/65/94/500456594.db2.gz XPCMECZLHFOKGQ-KRWDZBQOSA-N 0 3 357.454 3.098 20 30 FGEDHN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424145162 500460059 /nfs/dbraw/zinc/46/00/59/500460059.db2.gz UIZUHRARBCZEBS-NHYWBVRUSA-N 0 3 360.458 3.456 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000432062629 500462162 /nfs/dbraw/zinc/46/21/62/500462162.db2.gz QIPGLBRZRQPZKR-NRFANRHFSA-N 0 3 362.477 3.191 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(F)cc1I ZINC000424169103 500463115 /nfs/dbraw/zinc/46/31/15/500463115.db2.gz HGRGHGGKXNVZET-FZMZJTMJSA-N 0 3 361.198 3.111 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000424173233 500463221 /nfs/dbraw/zinc/46/32/21/500463221.db2.gz OBVXKGCSWPYPFJ-HIFRSBDPSA-N 0 3 369.296 3.100 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000424179177 500463856 /nfs/dbraw/zinc/46/38/56/500463856.db2.gz YJKQPRUJXIKWPP-INIZCTEOSA-N 0 3 364.287 3.176 20 30 FGEDHN C=CCc1cc(C(=O)N2CCCN(CC3CCC3)CC2)cc(OC)c1OC ZINC000576609924 506198423 /nfs/dbraw/zinc/19/84/23/506198423.db2.gz ZMFHNTQYIQDJOY-UHFFFAOYSA-N 0 3 372.509 3.380 20 30 FGEDHN CC[C@H](CNC(=O)NCc1ccc(C#N)s1)N1CCc2ccccc2C1 ZINC000420792123 500501974 /nfs/dbraw/zinc/50/19/74/500501974.db2.gz HHHARYFHBNPFBO-QGZVFWFLSA-N 0 3 368.506 3.256 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000432346048 500502479 /nfs/dbraw/zinc/50/24/79/500502479.db2.gz KDEABWBDONZMGY-IBGZPJMESA-N 0 3 359.514 3.179 20 30 FGEDHN C=CCC1(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)CCOCC1 ZINC000424578098 500520416 /nfs/dbraw/zinc/52/04/16/500520416.db2.gz AQCQXKGDXYXWEU-FQEVSTJZSA-N 0 3 356.510 3.312 20 30 FGEDHN CCCn1nc(C)c(CN(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000582387881 506200538 /nfs/dbraw/zinc/20/05/38/506200538.db2.gz PPURYHSETKCKMH-UHFFFAOYSA-N 0 3 353.514 3.345 20 30 FGEDHN N#Cc1csc(CNC[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000428550363 500525455 /nfs/dbraw/zinc/52/54/55/500525455.db2.gz RKNAAVPDCNHKHU-CQSZACIVSA-N 0 3 365.296 3.323 20 30 FGEDHN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1CCC(=O)Nc1ccccc1C#N ZINC000420931277 500534699 /nfs/dbraw/zinc/53/46/99/500534699.db2.gz SXFSZFJZWDBORB-NVXWUHKLSA-N 0 3 371.481 3.329 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)OCC ZINC000573478532 506201488 /nfs/dbraw/zinc/20/14/88/506201488.db2.gz PRKIXLFYMCPCHK-ZWKOTPCHSA-N 0 3 350.528 3.499 20 30 FGEDHN CSc1ccc(OCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428783159 500557110 /nfs/dbraw/zinc/55/71/10/500557110.db2.gz MOJQYAQMNSDXFB-KRWDZBQOSA-N 0 3 355.463 3.207 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(F)(F)[C@H](C)C2)c(OC)c1 ZINC000573487467 506202777 /nfs/dbraw/zinc/20/27/77/506202777.db2.gz AHFLNMOVRKWJTD-GDBMZVCRSA-N 0 3 355.425 3.141 20 30 FGEDHN C[C@H]1CN(CCCNc2c(C#N)cnc3ccc(Cl)cc32)CCCO1 ZINC000432856017 500578674 /nfs/dbraw/zinc/57/86/74/500578674.db2.gz YHWYKEJKBJGGMA-AWEZNQCLSA-N 0 3 358.873 3.095 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432881352 500583628 /nfs/dbraw/zinc/58/36/28/500583628.db2.gz WZQKWJVZMPGUKQ-UHFFFAOYSA-N 0 3 371.506 3.219 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCC2CCC(C#N)CC2)N(C)C)cc1 ZINC000442453121 500592112 /nfs/dbraw/zinc/59/21/12/500592112.db2.gz ZRCGOPVSUUOEJC-AFMYVXGZSA-N 0 3 356.514 3.481 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(Oc3ncccc3F)CC2)c1 ZINC000447356616 500595184 /nfs/dbraw/zinc/59/51/84/500595184.db2.gz CSMQYOHWFIYJFN-UHFFFAOYSA-N 0 3 355.413 3.405 20 30 FGEDHN C=CC[C@H]1N(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CCCC1(C)C ZINC000447430945 500605096 /nfs/dbraw/zinc/60/50/96/500605096.db2.gz KKPSXISAMFCOKX-GOSISDBHSA-N 0 3 357.498 3.280 20 30 FGEDHN COC(=O)c1coc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000447533186 500618818 /nfs/dbraw/zinc/61/88/18/500618818.db2.gz WXUXXXNAWQIADX-BBRMVZONSA-N 0 3 371.412 3.397 20 30 FGEDHN C[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000442790751 500625945 /nfs/dbraw/zinc/62/59/45/500625945.db2.gz HMQNBTCOONPAFW-YVEFUNNKSA-N 0 3 361.367 3.497 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1Cn1cccn1 ZINC000433220619 500649824 /nfs/dbraw/zinc/64/98/24/500649824.db2.gz QLERHEPBQNBOPH-LJQANCHMSA-N 0 3 358.445 3.320 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000433224694 500650586 /nfs/dbraw/zinc/65/05/86/500650586.db2.gz CBZCMCNDKDVLAB-FGZHOGPDSA-N 0 3 372.472 3.168 20 30 FGEDHN N#Cc1ccccc1N1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433358775 500680712 /nfs/dbraw/zinc/68/07/12/500680712.db2.gz DRKZRJANAJJEHJ-NRFANRHFSA-N 0 3 372.472 3.370 20 30 FGEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000433372353 500683750 /nfs/dbraw/zinc/68/37/50/500683750.db2.gz ADQYUJFCHOZDMA-SFHVURJKSA-N 0 3 373.460 3.391 20 30 FGEDHN N#CC(CCN[C@H](CO)[C@H]1CCCO1)(c1ccccc1)c1ccccc1 ZINC000447916349 500689464 /nfs/dbraw/zinc/68/94/64/500689464.db2.gz VBMACJHKIBVCTK-NHCUHLMSSA-N 0 3 350.462 3.016 20 30 FGEDHN CN(C)CCN(Cc1ccco1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443490086 500730402 /nfs/dbraw/zinc/73/04/02/500730402.db2.gz KTWNCYDJFDPJHF-UHFFFAOYSA-N 0 3 365.393 3.176 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)CC)cc2)CC1 ZINC000448362857 500752985 /nfs/dbraw/zinc/75/29/85/500752985.db2.gz ASZNMKHZVKOXEZ-UHFFFAOYSA-N 0 3 357.498 3.079 20 30 FGEDHN C=CCOc1cccc(CNC[C@]2(COC)OCCc3ccccc32)c1 ZINC000570731061 506215586 /nfs/dbraw/zinc/21/55/86/506215586.db2.gz DYBWZSPZGVSQOQ-JOCHJYFZSA-N 0 3 353.462 3.456 20 30 FGEDHN C=CCOc1ccc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000438343053 500773724 /nfs/dbraw/zinc/77/37/24/500773724.db2.gz VRUSWMRDEDCWRW-HNNXBMFYSA-N 0 3 352.906 3.182 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cn(CC(C)C)nc2C(F)F)CC1 ZINC000448919643 500868624 /nfs/dbraw/zinc/86/86/24/500868624.db2.gz CGSGHHAOVYLFFJ-UHFFFAOYSA-N 0 3 354.445 3.247 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc(C#N)c1Br ZINC000448984821 500887203 /nfs/dbraw/zinc/88/72/03/500887203.db2.gz UKCVBQCYAVMDKB-CQSZACIVSA-N 0 3 364.287 3.315 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444781750 500899403 /nfs/dbraw/zinc/89/94/03/500899403.db2.gz HIKXCSBTEFOWPB-LJQANCHMSA-N 0 3 358.526 3.117 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000439610603 500918318 /nfs/dbraw/zinc/91/83/18/500918318.db2.gz BSTYDYHZJNPPNA-DZOHQFGASA-N 0 3 362.539 3.444 20 30 FGEDHN C[C@H](N[C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611589739 506224329 /nfs/dbraw/zinc/22/43/29/506224329.db2.gz VWRUCKWYKZUZKM-HTAPYJJXSA-N 0 3 367.468 3.375 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)ccc1-n1cnnc1)C(C)C ZINC000435462225 500981829 /nfs/dbraw/zinc/98/18/29/500981829.db2.gz ZVEYIRHKRDDWNA-HXUWFJFHSA-N 0 3 367.497 3.004 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000445565856 501002790 /nfs/dbraw/zinc/00/27/90/501002790.db2.gz VZFOEVMVZLJULD-UHFFFAOYSA-N 0 3 371.506 3.006 20 30 FGEDHN C=C(C)COc1cc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1OC ZINC000449436293 501003209 /nfs/dbraw/zinc/00/32/09/501003209.db2.gz XDSXZEAVLHNCGX-QRVBRYPASA-N 0 3 361.482 3.012 20 30 FGEDHN CCO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000449497469 501018005 /nfs/dbraw/zinc/01/80/05/501018005.db2.gz KLZLGEYWYQZREN-APWZRJJASA-N 0 3 353.470 3.106 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Br)c2c(c1)OCCO2 ZINC000449547820 501029908 /nfs/dbraw/zinc/02/99/08/501029908.db2.gz JUIOOZSZLAGVAU-KGLIPLIRSA-N 0 3 354.244 3.044 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000449549456 501030545 /nfs/dbraw/zinc/03/05/45/501030545.db2.gz YDHOBHBMEZKGDG-SJORKVTESA-N 0 3 362.271 3.458 20 30 FGEDHN O=C1NC(CC(F)(F)F)C(=O)N1c1cccc(C#Cc2ccccc2)c1 ZINC000445903150 501049398 /nfs/dbraw/zinc/04/93/98/501049398.db2.gz JJXCXSSZLJRDBY-INIZCTEOSA-N 0 3 358.319 3.464 20 30 FGEDHN C=CCC[C@@H](CO)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000449698607 501065030 /nfs/dbraw/zinc/06/50/30/501065030.db2.gz OEUDGJIJOLBRSG-IBGZPJMESA-N 0 3 354.450 3.364 20 30 FGEDHN C=CCC[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000441044702 501078894 /nfs/dbraw/zinc/07/88/94/501078894.db2.gz BBVCHBIJANZFDX-IBGZPJMESA-N 0 3 358.530 3.019 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 ZINC000449824916 501098505 /nfs/dbraw/zinc/09/85/05/501098505.db2.gz ATWWIGXASLJGSC-GOSISDBHSA-N 0 3 369.509 3.459 20 30 FGEDHN Cc1c(C#N)c(NC2CCN(CCOC(C)C)CC2)nc2ccccc12 ZINC000450361543 501100427 /nfs/dbraw/zinc/10/04/27/501100427.db2.gz CRDWHWJNOLDWGY-UHFFFAOYSA-N 0 3 352.482 3.138 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)[nH]c1C ZINC000450380638 501106034 /nfs/dbraw/zinc/10/60/34/501106034.db2.gz RRRHESXQCSRLNI-GOSISDBHSA-N 0 3 366.465 3.027 20 30 FGEDHN CCN1CCN(c2cccc(N[C@H](C)CC3(C#N)CCOCC3)c2)CC1 ZINC000602620662 506234922 /nfs/dbraw/zinc/23/49/22/506234922.db2.gz ZTFQOCUGIUWTEJ-GOSISDBHSA-N 0 3 356.514 3.339 20 30 FGEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450464378 501127906 /nfs/dbraw/zinc/12/79/06/501127906.db2.gz YJEDYUROCYPVNJ-AWEZNQCLSA-N 0 3 371.466 3.190 20 30 FGEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccco2)c(C#N)cc1N(C)C ZINC000436497210 501139942 /nfs/dbraw/zinc/13/99/42/501139942.db2.gz LGCRAYSMUMRRHW-UHFFFAOYSA-N 0 3 369.469 3.121 20 30 FGEDHN CC1(C)C[C@@]1(CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000596069369 506240674 /nfs/dbraw/zinc/24/06/74/506240674.db2.gz FGXZLDQJGJNNQB-OAQYLSRUSA-N 0 3 368.502 3.289 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2ccncc2)C1 ZINC000451002107 501238184 /nfs/dbraw/zinc/23/81/84/501238184.db2.gz RZDGCYVZGUHNMD-NHCUHLMSSA-N 0 3 352.478 3.429 20 30 FGEDHN CC1(C#N)CCC(NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000451103847 501245979 /nfs/dbraw/zinc/24/59/79/501245979.db2.gz OWXJBWMNKDRJLK-UHFFFAOYSA-N 0 3 350.260 3.450 20 30 FGEDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451391853 501282000 /nfs/dbraw/zinc/28/20/00/501282000.db2.gz JMEAOTOXWATKDK-UHFFFAOYSA-N 0 3 371.934 3.149 20 30 FGEDHN COc1cc(CN2CCC[C@H](O)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000451461745 501297842 /nfs/dbraw/zinc/29/78/42/501297842.db2.gz STLUYFJSIZSHSC-UZLBHIALSA-N 0 3 366.461 3.491 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@](CO)(C(C)C)C1)C(C)C ZINC000457751824 501301196 /nfs/dbraw/zinc/30/11/96/501301196.db2.gz PKELJLWHWWUJNW-FPOVZHCZSA-N 0 3 365.562 3.125 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000451485135 501304077 /nfs/dbraw/zinc/30/40/77/501304077.db2.gz AQGWXTWYPQXDLO-ZACQAIPSSA-N 0 3 351.368 3.484 20 30 FGEDHN C=CCn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453444459 501333512 /nfs/dbraw/zinc/33/35/12/501333512.db2.gz RXLCBJVVCIJDQH-NGICGMGXSA-N 0 3 373.545 3.190 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000451599896 501334285 /nfs/dbraw/zinc/33/42/85/501334285.db2.gz PMWFGCNSXKPTEU-YADHBBJMSA-N 0 3 364.489 3.258 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCCN(C(C)C)CC1 ZINC000453451190 501335779 /nfs/dbraw/zinc/33/57/79/501335779.db2.gz INHXAUNAMGIPJQ-UHFFFAOYSA-N 0 3 369.513 3.450 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2CC(F)(F)C(F)(F)C2)[C@H](C(F)(F)F)C1 ZINC000457933721 501338270 /nfs/dbraw/zinc/33/82/70/501338270.db2.gz QOLXLKXVKNYSKE-RKDXNWHRSA-N 0 3 364.305 3.008 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000451674420 501348585 /nfs/dbraw/zinc/34/85/85/501348585.db2.gz ACAMYGUBHKAXPW-UWVAXJGDSA-N 0 3 356.491 3.277 20 30 FGEDHN CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H](C)CCC#N ZINC000602659170 506249218 /nfs/dbraw/zinc/24/92/18/506249218.db2.gz ONZVHYIBFHMPEP-GFCCVEGCSA-N 0 3 372.332 3.389 20 30 FGEDHN CN1CC[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000455766251 501381650 /nfs/dbraw/zinc/38/16/50/501381650.db2.gz TUGXXJYZCORYSV-DOTOQJQBSA-N 0 3 355.829 3.174 20 30 FGEDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)C1 ZINC000455771648 501382772 /nfs/dbraw/zinc/38/27/72/501382772.db2.gz NSLHMRCHLQCUSF-HXUWFJFHSA-N 0 3 356.470 3.295 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455793130 501387285 /nfs/dbraw/zinc/38/72/85/501387285.db2.gz RPMWHFZEUYCGMN-FZKQIMNGSA-N 0 3 369.856 3.249 20 30 FGEDHN Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)ccc1OCCN(C)C ZINC000458205818 501392990 /nfs/dbraw/zinc/39/29/90/501392990.db2.gz YVZRCLVDFHTTMA-UHFFFAOYSA-N 0 3 359.376 3.338 20 30 FGEDHN COC[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000452031758 501421383 /nfs/dbraw/zinc/42/13/83/501421383.db2.gz TUOMAJNEYURFJJ-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](COC)CC1 ZINC000452104163 501435973 /nfs/dbraw/zinc/43/59/73/501435973.db2.gz NBJIGKXPJHWOPB-DLBZAZTESA-N 0 3 350.528 3.400 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000452122831 501440226 /nfs/dbraw/zinc/44/02/26/501440226.db2.gz UWJZIFLCJCJGMM-DLBZAZTESA-N 0 3 374.554 3.291 20 30 FGEDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000452122837 501440272 /nfs/dbraw/zinc/44/02/72/501440272.db2.gz UWJZIFLCJCJGMM-IRXDYDNUSA-N 0 3 374.554 3.291 20 30 FGEDHN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C[C@H](C)CCC#N)CC1 ZINC000602680839 506260182 /nfs/dbraw/zinc/26/01/82/506260182.db2.gz WAMPELJKRAQUJN-QGZVFWFLSA-N 0 3 356.466 3.454 20 30 FGEDHN C=CCC[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(=O)OCC ZINC000456628271 501561351 /nfs/dbraw/zinc/56/13/51/501561351.db2.gz NYFVFQTXNONLRZ-INIZCTEOSA-N 0 3 358.438 3.122 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000454552156 501575963 /nfs/dbraw/zinc/57/59/63/501575963.db2.gz SWAVKLIPRYKBLP-AWEZNQCLSA-N 0 3 353.388 3.041 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459112279 501596354 /nfs/dbraw/zinc/59/63/54/501596354.db2.gz GTHKVBZFTLKFRB-UHFFFAOYSA-N 0 3 360.458 3.032 20 30 FGEDHN C=CCCC1(C(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000453010818 501600463 /nfs/dbraw/zinc/60/04/63/501600463.db2.gz JEUHFIKUZNVBRR-UHFFFAOYSA-N 0 3 369.509 3.472 20 30 FGEDHN CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459226968 501616290 /nfs/dbraw/zinc/61/62/90/501616290.db2.gz AXOGROCKJSTPNK-GOSISDBHSA-N 0 3 357.502 3.017 20 30 FGEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC000459779870 501713308 /nfs/dbraw/zinc/71/33/08/501713308.db2.gz XAAOTMUMCCPASO-DFQSSKMNSA-N 0 3 369.509 3.486 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cccc3cccnc32)cc1 ZINC000470735252 501786306 /nfs/dbraw/zinc/78/63/06/501786306.db2.gz ZXNINKGEVNZFKN-FQEVSTJZSA-N 0 3 354.413 3.148 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CN1Cc1ccccc1 ZINC000467475636 501804153 /nfs/dbraw/zinc/80/41/53/501804153.db2.gz YGFACQKUUCCJEE-RDTXWAMCSA-N 0 3 352.413 3.482 20 30 FGEDHN CN(Cc1ccc(CC#N)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470814917 501814228 /nfs/dbraw/zinc/81/42/28/501814228.db2.gz GDQVAIXVVJIVHG-ROUUACIJSA-N 0 3 358.486 3.254 20 30 FGEDHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470832877 501822064 /nfs/dbraw/zinc/82/20/64/501822064.db2.gz UHGNIHBYNGVYBX-YLJYHZDGSA-N 0 3 361.445 3.441 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(Br)cs2)cc1 ZINC000470845091 501826849 /nfs/dbraw/zinc/82/68/49/501826849.db2.gz NEAQCNZTAVAJSJ-CYBMUJFWSA-N 0 3 374.263 3.381 20 30 FGEDHN CCc1nnc(NC[C@@H](c2cccc(OC)c2)N(C)C)c(C#N)c1CC ZINC000467718281 501853110 /nfs/dbraw/zinc/85/31/10/501853110.db2.gz NPTVXZFNKMLPGY-IBGZPJMESA-N 0 3 353.470 3.196 20 30 FGEDHN CC[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000471040242 501899627 /nfs/dbraw/zinc/89/96/27/501899627.db2.gz SGJBQNZADGSGCX-PKOBYXMFSA-N 0 3 365.408 3.353 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOCc2ccc(Cl)cc2)cc1 ZINC000471057160 501905312 /nfs/dbraw/zinc/90/53/12/501905312.db2.gz OVHZMEIQPDHAKR-GOSISDBHSA-N 0 3 367.836 3.227 20 30 FGEDHN CCC1(CC)[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)[C@H]1OC ZINC000471099300 501918503 /nfs/dbraw/zinc/91/85/03/501918503.db2.gz JZOARVPOCAIGQA-WQANXHIZSA-N 0 3 353.466 3.196 20 30 FGEDHN CCC(CC)[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000471102443 501920088 /nfs/dbraw/zinc/92/00/88/501920088.db2.gz ZBWYOEOKLVKOHK-UFYCRDLUSA-N 0 3 353.466 3.341 20 30 FGEDHN C=C(C)Cn1c(COCC)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000460929305 501961352 /nfs/dbraw/zinc/96/13/52/501961352.db2.gz DJFIJKZQJLUDCT-UHFFFAOYSA-N 0 3 369.513 3.103 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccnc(C#N)c1 ZINC000474962478 502005115 /nfs/dbraw/zinc/00/51/15/502005115.db2.gz UJPRKHWDQDINQC-HXUWFJFHSA-N 0 3 362.477 3.156 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000478591356 502027182 /nfs/dbraw/zinc/02/71/82/502027182.db2.gz VTELLVVDNPTVDZ-DLBZAZTESA-N 0 3 373.497 3.105 20 30 FGEDHN C=CCN(CCC(=O)NCc1cnc(C)s1)Cc1cccc(C#N)c1 ZINC000602767802 506291963 /nfs/dbraw/zinc/29/19/63/506291963.db2.gz GLGNDFLBMCWRJV-UHFFFAOYSA-N 0 3 354.479 3.018 20 30 FGEDHN CN(C)C[C@H]1CCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000464930691 502148617 /nfs/dbraw/zinc/14/86/17/502148617.db2.gz DYXADWHYRVTHSK-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000472001259 502196436 /nfs/dbraw/zinc/19/64/36/502196436.db2.gz XHPMNOHACKTYSQ-HXUWFJFHSA-N 0 3 372.557 3.048 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461958949 502253266 /nfs/dbraw/zinc/25/32/66/502253266.db2.gz NKULWMUXBJJQAI-HSALFYBXSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2C)CC1 ZINC000592909337 506303488 /nfs/dbraw/zinc/30/34/88/506303488.db2.gz VDWMYNKCJOIXIV-MRXNPFEDSA-N 0 3 372.513 3.295 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000592936901 506304645 /nfs/dbraw/zinc/30/46/45/506304645.db2.gz GJLHPWYMZFARFQ-KURKYZTESA-N 0 3 356.466 3.386 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000469133206 502309969 /nfs/dbraw/zinc/30/99/69/502309969.db2.gz ZJGKISLNBZLJMA-RTBURBONSA-N 0 3 360.523 3.198 20 30 FGEDHN N#CC(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nccc2ccccc21 ZINC000483219647 502317369 /nfs/dbraw/zinc/31/73/69/502317369.db2.gz MAHKWEUFFIVGEV-AEFFLSMTSA-N 0 3 359.385 3.288 20 30 FGEDHN Cc1csc2ncc(C(=O)C(C#N)c3nccc4ccccc43)c(=O)n12 ZINC000483221337 502317999 /nfs/dbraw/zinc/31/79/99/502317999.db2.gz ZGOKULYTBVUZQR-CQSZACIVSA-N 0 3 360.398 3.103 20 30 FGEDHN CCCOc1ccc(C(C)(C)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000483289459 502340659 /nfs/dbraw/zinc/34/06/59/502340659.db2.gz NCHHYTXQAQDEES-UHFFFAOYSA-N 0 3 365.477 3.488 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000462243625 502365276 /nfs/dbraw/zinc/36/52/76/502365276.db2.gz BOBREUYUFCJDIC-MRXNPFEDSA-N 0 3 353.441 3.391 20 30 FGEDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000483422522 502385736 /nfs/dbraw/zinc/38/57/36/502385736.db2.gz RFLNYKFXAUQQSF-CTNGQTDRSA-N 0 3 354.425 3.101 20 30 FGEDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000483422533 502386307 /nfs/dbraw/zinc/38/63/07/502386307.db2.gz RFLNYKFXAUQQSF-FPOVZHCZSA-N 0 3 354.425 3.101 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@]2(C)c2ccccc2OC)CC1 ZINC000465858034 502405112 /nfs/dbraw/zinc/40/51/12/502405112.db2.gz IEHODNVLGHQUKC-PZJWPPBQSA-N 0 3 357.498 3.065 20 30 FGEDHN CCCN(CCN1CCCCCC1)C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000462477543 502455974 /nfs/dbraw/zinc/45/59/74/502455974.db2.gz FUHAEGIFLZXYST-UHFFFAOYSA-N 0 3 372.513 3.364 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000466034231 502461215 /nfs/dbraw/zinc/46/12/15/502461215.db2.gz AWCQYWJKXVOUJP-LPHOPBHVSA-N 0 3 370.497 3.105 20 30 FGEDHN CC(C#N)C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000476557180 502523811 /nfs/dbraw/zinc/52/38/11/502523811.db2.gz YDQLJXCOBRIDJN-MLGOLLRUSA-N 0 3 358.239 3.404 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnn1C1CCCC1 ZINC000480474604 502578548 /nfs/dbraw/zinc/57/85/48/502578548.db2.gz MDKQQSHNQRYLQG-UHFFFAOYSA-N 0 3 365.481 3.074 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000469880508 502580972 /nfs/dbraw/zinc/58/09/72/502580972.db2.gz JTBSSXAEQBZRNV-FQEVSTJZSA-N 0 3 367.424 3.273 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000466537639 502600543 /nfs/dbraw/zinc/60/05/43/502600543.db2.gz AKVOUWLOBXDERU-UHFFFAOYSA-N 0 3 351.410 3.214 20 30 FGEDHN Cc1cc(CN2CCC(C(=O)NCCc3cccs3)CC2)ccc1C#N ZINC000488237561 502666964 /nfs/dbraw/zinc/66/69/64/502666964.db2.gz YJCVAXAYXXTLKR-UHFFFAOYSA-N 0 3 367.518 3.499 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000484645359 502694130 /nfs/dbraw/zinc/69/41/30/502694130.db2.gz GKUIESKMDJQVKX-DSKINZAPSA-N 0 3 357.498 3.329 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484648212 502695397 /nfs/dbraw/zinc/69/53/97/502695397.db2.gz CXPZXSOWBHQEJB-MISYRCLQSA-N 0 3 357.498 3.283 20 30 FGEDHN CCN1[C@H](C)CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1C ZINC000602875131 506334321 /nfs/dbraw/zinc/33/43/21/506334321.db2.gz WCKPIWOQWBYNFE-IYBDPMFKSA-N 0 3 362.905 3.001 20 30 FGEDHN CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463431260 502799293 /nfs/dbraw/zinc/79/92/93/502799293.db2.gz AENVCNHIVDCIFC-OIISXLGYSA-N 0 3 356.388 3.351 20 30 FGEDHN C=CCn1cccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000488822913 502819342 /nfs/dbraw/zinc/81/93/42/502819342.db2.gz XEBGPEPRAAREGF-UHFFFAOYSA-N 0 3 352.482 3.457 20 30 FGEDHN C=CCSCCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000509178714 502842015 /nfs/dbraw/zinc/84/20/15/502842015.db2.gz OAZHLBUZPTUPJA-LJQANCHMSA-N 0 3 361.555 3.459 20 30 FGEDHN COC(=O)C[C@](C)(NCCOc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000513166224 502868071 /nfs/dbraw/zinc/86/80/71/502868071.db2.gz KYTCPNGRPCVYGY-FQEVSTJZSA-N 0 3 356.397 3.144 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(C)C ZINC000495999040 502868839 /nfs/dbraw/zinc/86/88/39/502868839.db2.gz GUXLDSVCEIATOY-IEBWSBKVSA-N 0 3 362.901 3.458 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000513416002 502932137 /nfs/dbraw/zinc/93/21/37/502932137.db2.gz LVSBPYVKXBNLPS-DNVCBOLYSA-N 0 3 351.450 3.382 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccco1 ZINC000509602196 502945719 /nfs/dbraw/zinc/94/57/19/502945719.db2.gz NDXPVOPUAVDFIW-CRAIPNDOSA-N 0 3 354.454 3.422 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000509608263 502946959 /nfs/dbraw/zinc/94/69/59/502946959.db2.gz BJWILIVGXNTZNX-QAPCUYQASA-N 0 3 354.454 3.422 20 30 FGEDHN CCCCN(C)CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000489506139 502974567 /nfs/dbraw/zinc/97/45/67/502974567.db2.gz KBKYVFCNFAZBPN-UHFFFAOYSA-N 0 3 371.510 3.459 20 30 FGEDHN CCN1CCN(Cc2ccc(CNc3ncc(C#N)cc3Cl)cc2)CC1 ZINC000513651508 502990941 /nfs/dbraw/zinc/99/09/41/502990941.db2.gz BBDNMAZWPJIBGZ-UHFFFAOYSA-N 0 3 369.900 3.356 20 30 FGEDHN N#CC(C(=O)c1cnnn1Cc1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000513732152 503011537 /nfs/dbraw/zinc/01/15/37/503011537.db2.gz BNUASOHSQANXBA-AWEZNQCLSA-N 0 3 371.322 3.230 20 30 FGEDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)N(C)C)cc1OC ZINC000514187330 503108125 /nfs/dbraw/zinc/10/81/25/503108125.db2.gz QMQAAUKVCKZFPU-KRWDZBQOSA-N 0 3 370.409 3.198 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000514245560 503124808 /nfs/dbraw/zinc/12/48/08/503124808.db2.gz ZMCOPOLHGZPLNG-KRWDZBQOSA-N 0 3 365.477 3.352 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510544802 503139960 /nfs/dbraw/zinc/13/99/60/503139960.db2.gz JJNCKUIQKXABIJ-JXFKEZNVSA-N 0 3 353.466 3.376 20 30 FGEDHN C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCC(C)CC1 ZINC000502185825 503158642 /nfs/dbraw/zinc/15/86/42/503158642.db2.gz WVLCPQQHFDZHHR-SFHVURJKSA-N 0 3 366.509 3.477 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(CC#N)cc3)CC2)c1C ZINC000510643393 503163146 /nfs/dbraw/zinc/16/31/46/503163146.db2.gz GGJJEEMJTJSJOR-UHFFFAOYSA-N 0 3 366.465 3.271 20 30 FGEDHN C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCC[C@@H](C)C1 ZINC000502274799 503172701 /nfs/dbraw/zinc/17/27/01/503172701.db2.gz HQCUKENWXGNQOH-MSOLQXFVSA-N 0 3 366.509 3.477 20 30 FGEDHN CCOc1ccc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000498381210 503174904 /nfs/dbraw/zinc/17/49/04/503174904.db2.gz XTNDWBQKNLCMPZ-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000502292129 503175449 /nfs/dbraw/zinc/17/54/49/503175449.db2.gz HGLPVHWSYILKLO-UHFFFAOYSA-N 0 3 373.419 3.272 20 30 FGEDHN CC[C@@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000511014399 503236031 /nfs/dbraw/zinc/23/60/31/503236031.db2.gz KDTKNZGHBNKWPV-PZJWPPBQSA-N 0 3 363.461 3.279 20 30 FGEDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000502712239 503256350 /nfs/dbraw/zinc/25/63/50/503256350.db2.gz LGRNANAXZIVOCO-HNNXBMFYSA-N 0 3 369.918 3.145 20 30 FGEDHN N#CCC1(CNC[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000515055149 503260397 /nfs/dbraw/zinc/26/03/97/503260397.db2.gz QTKFAHCFUXSIQK-HXUWFJFHSA-N 0 3 350.462 3.437 20 30 FGEDHN N#CCC1(CNC[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000515055148 503261067 /nfs/dbraw/zinc/26/10/67/503261067.db2.gz QTKFAHCFUXSIQK-FQEVSTJZSA-N 0 3 350.462 3.437 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000507295293 503271280 /nfs/dbraw/zinc/27/12/80/503271280.db2.gz HEFSOKXSMJQNEF-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000502883688 503298686 /nfs/dbraw/zinc/29/86/86/503298686.db2.gz UBYUNUWPTOCHGD-MBOZVWFJSA-N 0 3 356.514 3.456 20 30 FGEDHN Cc1cc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000502947842 503312915 /nfs/dbraw/zinc/31/29/15/503312915.db2.gz HFXBNBVRMFPJBX-NVXWUHKLSA-N 0 3 365.481 3.045 20 30 FGEDHN C[C@@H](N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)N(C)CCC#N ZINC000511587624 503349422 /nfs/dbraw/zinc/34/94/22/503349422.db2.gz LDIJUTWQHNUEAZ-MLGOLLRUSA-N 0 3 369.387 3.386 20 30 FGEDHN Cc1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000511730887 503377128 /nfs/dbraw/zinc/37/71/28/503377128.db2.gz LDCJMUXQKVGAIQ-FQEVSTJZSA-N 0 3 362.477 3.292 20 30 FGEDHN C=CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(OC)cc1 ZINC000515780106 503400533 /nfs/dbraw/zinc/40/05/33/503400533.db2.gz IXIJBYKIZMILDF-UHFFFAOYSA-N 0 3 364.445 3.370 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccn(-c2ccccc2)n1)C(C)C ZINC000503433564 503407931 /nfs/dbraw/zinc/40/79/31/503407931.db2.gz BSBSZYNEGPCWBB-LJQANCHMSA-N 0 3 367.497 3.114 20 30 FGEDHN CC1(C)C[C@H](NC[C@@H](O)COc2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000515832175 503408514 /nfs/dbraw/zinc/40/85/14/503408514.db2.gz MRNWWEJDGXCVOY-APWZRJJASA-N 0 3 370.424 3.329 20 30 FGEDHN CCOC[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000503447110 503411727 /nfs/dbraw/zinc/41/17/27/503411727.db2.gz ORZWPXBMXOVHML-KRWDZBQOSA-N 0 3 351.878 3.237 20 30 FGEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000515993201 503429630 /nfs/dbraw/zinc/42/96/30/503429630.db2.gz NCZVLNQVOJGPOV-FQEVSTJZSA-N 0 3 367.518 3.081 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000499706253 503462454 /nfs/dbraw/zinc/46/24/54/503462454.db2.gz CSTNUWQAIGBDJY-QUCCMNQESA-N 0 3 357.498 3.342 20 30 FGEDHN N#CCc1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(CC#N)cc2)cc1 ZINC000602988265 506373419 /nfs/dbraw/zinc/37/34/19/506373419.db2.gz FDVZOSUTBGRLTN-GOTSBHOMSA-N 0 3 356.473 3.277 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc2cnccc21 ZINC000599203932 506373730 /nfs/dbraw/zinc/37/37/30/506373730.db2.gz YGRDRBZPTLPZKK-UHFFFAOYSA-N 0 3 372.472 3.239 20 30 FGEDHN CCN(C(=O)Cc1noc(C)c1C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000499773733 503479343 /nfs/dbraw/zinc/47/93/43/503479343.db2.gz ANOCTMFNUYZEQH-YJBOKZPZSA-N 0 3 366.465 3.081 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCc1cccc(C#N)c1)N(C)C ZINC000503900379 503485788 /nfs/dbraw/zinc/48/57/88/503485788.db2.gz HBDALPMSKDZBCF-DYESRHJHSA-N 0 3 364.493 3.400 20 30 FGEDHN C[C@@H](NC(=O)NCCc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000503904748 503486197 /nfs/dbraw/zinc/48/61/97/503486197.db2.gz AYFXEXFVSZYOOY-OXQOHEQNSA-N 0 3 350.466 3.091 20 30 FGEDHN COc1ccccc1/C=C/CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503919295 503489933 /nfs/dbraw/zinc/48/99/33/503489933.db2.gz GAKNVOGFWYULSA-PDGUBNMISA-N 0 3 361.445 3.365 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000516297865 503490420 /nfs/dbraw/zinc/49/04/20/503490420.db2.gz QZHRBQKIQWRXQY-QGZVFWFLSA-N 0 3 364.449 3.420 20 30 FGEDHN C=C(CN[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)c1ccccc1 ZINC000611963274 506376304 /nfs/dbraw/zinc/37/63/04/506376304.db2.gz CYTWCZXWPZCVMR-INIZCTEOSA-N 0 3 352.434 3.493 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@]2(C)CCO[C@H]2C)c1C#N ZINC000494272209 503517190 /nfs/dbraw/zinc/51/71/90/503517190.db2.gz XHKVCNMLULHOBY-MGPUTAFESA-N 0 3 358.486 3.187 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2nc3c(ccc(F)c3F)s2)CC1 ZINC000500017278 503534235 /nfs/dbraw/zinc/53/42/35/503534235.db2.gz QXYIKNKAPCVKFY-UHFFFAOYSA-N 0 3 352.410 3.346 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC000508802161 503566485 /nfs/dbraw/zinc/56/64/85/503566485.db2.gz PFMMEIDEKDQQOS-UHFFFAOYSA-N 0 3 357.889 3.317 20 30 FGEDHN COc1cc(CN[C@H](CN2CCOCC2)c2ccccc2C)ccc1C#N ZINC000516690579 503569706 /nfs/dbraw/zinc/56/97/06/503569706.db2.gz WBXCONAAIISBCF-OAQYLSRUSA-N 0 3 365.477 3.038 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c(C(F)(F)F)c1 ZINC000516689874 503569808 /nfs/dbraw/zinc/56/98/08/503569808.db2.gz LPFCLKMWRJPUAJ-WBVHZDCISA-N 0 3 368.399 3.234 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508845562 503575327 /nfs/dbraw/zinc/57/53/27/503575327.db2.gz OILYJDMDDBJCLL-IBGZPJMESA-N 0 3 369.513 3.128 20 30 FGEDHN CC[C@H](CC#N)NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000512548259 503581364 /nfs/dbraw/zinc/58/13/64/503581364.db2.gz ZVXWAQUBRWSLFC-KLAILNCOSA-N 0 3 363.889 3.428 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CCCC2)CC1 ZINC000508937335 503603869 /nfs/dbraw/zinc/60/38/69/503603869.db2.gz WYUYZTQKIGFJRY-UHFFFAOYSA-N 0 3 365.525 3.428 20 30 FGEDHN COCCN(CCC(=O)Nc1sccc1C#N)CCc1ccccc1 ZINC000532934030 503664446 /nfs/dbraw/zinc/66/44/46/503664446.db2.gz GSEWMRFXGZZDAJ-UHFFFAOYSA-N 0 3 357.479 3.139 20 30 FGEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000527072918 503669333 /nfs/dbraw/zinc/66/93/33/503669333.db2.gz IILHUTJKBWKYTR-INIZCTEOSA-N 0 3 353.853 3.464 20 30 FGEDHN N#Cc1ccc(CNc2ccccc2CN2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000532987224 503689543 /nfs/dbraw/zinc/68/95/43/503689543.db2.gz DKHOZLKMIMFSRM-SFHVURJKSA-N 0 3 366.440 3.007 20 30 FGEDHN COc1ccc(CN(CCC(=O)N(C)CCC#N)Cc2ccccc2)cc1 ZINC000536740169 503705419 /nfs/dbraw/zinc/70/54/19/503705419.db2.gz FUCUABDEBOXVNT-UHFFFAOYSA-N 0 3 365.477 3.460 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540246963 503723154 /nfs/dbraw/zinc/72/31/54/503723154.db2.gz ICVITNDZXURXLN-OTWHNJEPSA-N 0 3 371.525 3.209 20 30 FGEDHN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000517566169 503773935 /nfs/dbraw/zinc/77/39/35/503773935.db2.gz PTZALNBVGDXGLZ-HNNXBMFYSA-N 0 3 367.449 3.277 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@@H](CNCc3ccc(C#N)cc3F)C2)c1 ZINC000533309475 503802141 /nfs/dbraw/zinc/80/21/41/503802141.db2.gz AXMVTEVKLOUJSZ-INIZCTEOSA-N 0 3 369.440 3.331 20 30 FGEDHN C=CCC[C@@H](NCC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000537130585 503811363 /nfs/dbraw/zinc/81/13/63/503811363.db2.gz QAKTYFIUKMPQDX-MRXNPFEDSA-N 0 3 356.388 3.161 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC[C@@H](O)COc2ccccc2C#N)cc1 ZINC000530232027 503884941 /nfs/dbraw/zinc/88/49/41/503884941.db2.gz VFXMPDURNYDFSC-SJBKTWHCSA-N 0 3 366.461 3.116 20 30 FGEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533762699 503945778 /nfs/dbraw/zinc/94/57/78/503945778.db2.gz XUTWPHSWIGVGAJ-QXAKKESOSA-N 0 3 356.466 3.370 20 30 FGEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc2c1OCO2 ZINC000527809920 503954647 /nfs/dbraw/zinc/95/46/47/503954647.db2.gz HUWFGGZNEMUVRF-UHFFFAOYSA-N 0 3 366.417 3.091 20 30 FGEDHN N#CC(C(=O)c1ccn(Cc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000541019855 503976424 /nfs/dbraw/zinc/97/64/24/503976424.db2.gz KZTNOBLIMDLFEV-SFHVURJKSA-N 0 3 359.433 3.344 20 30 FGEDHN CC(C)(C)OC(=O)CCN(CC#Cc1ccc(F)cc1)C1CCOCC1 ZINC000518526057 504008946 /nfs/dbraw/zinc/00/89/46/504008946.db2.gz DPPJFDOSDSRPGY-UHFFFAOYSA-N 0 3 361.457 3.390 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000530676128 504050142 /nfs/dbraw/zinc/05/01/42/504050142.db2.gz YLSRGDFZRPGHQG-YLJYHZDGSA-N 0 3 353.491 3.362 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C)(COC)CC1 ZINC000537996398 504105780 /nfs/dbraw/zinc/10/57/80/504105780.db2.gz XIRLUQXRRRDPTB-MRXNPFEDSA-N 0 3 350.528 3.400 20 30 FGEDHN COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000544411183 504123191 /nfs/dbraw/zinc/12/31/91/504123191.db2.gz STJCDFMELYPSJN-GOSISDBHSA-N 0 3 360.502 3.291 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)nc1 ZINC000538096856 504131874 /nfs/dbraw/zinc/13/18/74/504131874.db2.gz WUEJVJNTJZXDGJ-LPHOPBHVSA-N 0 3 350.466 3.245 20 30 FGEDHN C[C@@H](OC[C@@H](O)CNCCOc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000519142041 504148866 /nfs/dbraw/zinc/14/88/66/504148866.db2.gz WIVMKBVVJZYKRP-BEFAXECRSA-N 0 3 374.868 3.319 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000528386729 504200353 /nfs/dbraw/zinc/20/03/53/504200353.db2.gz JPXWUQGMZCTXNE-XLIONFOSSA-N 0 3 354.425 3.002 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000528487767 504244027 /nfs/dbraw/zinc/24/40/27/504244027.db2.gz LDLVVFHFAVVIOX-WBVHZDCISA-N 0 3 368.399 3.352 20 30 FGEDHN N#Cc1ccccc1OCc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000544815877 504269486 /nfs/dbraw/zinc/26/94/86/504269486.db2.gz GDNXUBWRQUSRDA-GOSISDBHSA-N 0 3 354.369 3.417 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC000541921498 504302105 /nfs/dbraw/zinc/30/21/05/504302105.db2.gz JVQDDDIODVBFMI-YLJYHZDGSA-N 0 3 354.498 3.375 20 30 FGEDHN N#Cc1cccc(OCCN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541949137 504312246 /nfs/dbraw/zinc/31/22/46/504312246.db2.gz NJBANWIEKJZIPW-KRWDZBQOSA-N 0 3 350.340 3.279 20 30 FGEDHN C[C@]1(NCCS(=O)(=O)c2cccc(C#N)c2)CCCc2ccccc21 ZINC000538698593 504331453 /nfs/dbraw/zinc/33/14/53/504331453.db2.gz PHGNBFPUFIPFFP-FQEVSTJZSA-N 0 3 354.475 3.173 20 30 FGEDHN C=CCOc1ccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)cc1 ZINC000528710918 504343030 /nfs/dbraw/zinc/34/30/30/504343030.db2.gz WICKZFQDLMSLRI-UHFFFAOYSA-N 0 3 353.422 3.055 20 30 FGEDHN CC1(N2CCOCC2)CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000528727686 504350958 /nfs/dbraw/zinc/35/09/58/504350958.db2.gz JHRGNIKEPWVXMX-UHFFFAOYSA-N 0 3 366.427 3.244 20 30 FGEDHN CC(C)(C)N1CCCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000519923386 504383751 /nfs/dbraw/zinc/38/37/51/504383751.db2.gz HMRZFZZRGGASKY-UHFFFAOYSA-N 0 3 374.554 3.307 20 30 FGEDHN COC(=O)c1ccccc1OCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000542316927 504448432 /nfs/dbraw/zinc/44/84/32/504448432.db2.gz JSXMFFSPLPWDGX-UHFFFAOYSA-N 0 3 350.418 3.388 20 30 FGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000528922402 504450915 /nfs/dbraw/zinc/45/09/15/504450915.db2.gz ZWMLGMCUTSSZBK-YGMDGNCASA-N 0 3 352.793 3.186 20 30 FGEDHN Cc1ccnc(OC2CCN(CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000542982315 504683097 /nfs/dbraw/zinc/68/30/97/504683097.db2.gz ZFRRZXCGPJQUJC-UHFFFAOYSA-N 0 3 370.478 3.195 20 30 FGEDHN C=C(C)COc1cc(CN2CCCC[C@@H]2CN2CCOCC2)ccc1OC ZINC000539840907 504714389 /nfs/dbraw/zinc/71/43/89/504714389.db2.gz LAWPWSKXJUFETA-HXUWFJFHSA-N 0 3 374.525 3.337 20 30 FGEDHN C=CCOc1cccc(CN2CCC(Cc3nc(CCOC)no3)CC2)c1 ZINC000529638304 504750492 /nfs/dbraw/zinc/75/04/92/504750492.db2.gz AYLGBYHMYGPIRN-UHFFFAOYSA-N 0 3 371.481 3.278 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1)OCC ZINC000565085486 504789913 /nfs/dbraw/zinc/78/99/13/504789913.db2.gz BJVXJHPKFHRETK-SJLPKXTDSA-N 0 3 352.906 3.473 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000549654658 504868364 /nfs/dbraw/zinc/86/83/64/504868364.db2.gz BAZPVGGXVFNINV-XBMUEBEBSA-N 0 3 373.545 3.059 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1C[C@@H](C)O)C(C)C ZINC000562622407 504883450 /nfs/dbraw/zinc/88/34/50/504883450.db2.gz MUMSCNAQPMEDEQ-GUDVDZBRSA-N 0 3 351.535 3.020 20 30 FGEDHN C[C@H](N[C@H]1CCOC[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000565517850 504910257 /nfs/dbraw/zinc/91/02/57/504910257.db2.gz SIFRPJKNIVSHFA-XEZPLFJOSA-N 0 3 361.511 3.230 20 30 FGEDHN Cc1ccc([C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000553427881 504911981 /nfs/dbraw/zinc/91/19/81/504911981.db2.gz QWDWNPRTQUMROH-HXUWFJFHSA-N 0 3 354.475 3.381 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000565634712 504943242 /nfs/dbraw/zinc/94/32/42/504943242.db2.gz MFBKBUSEPCAFRP-RRWXTXHCSA-N 0 3 354.498 3.210 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000553815028 505018141 /nfs/dbraw/zinc/01/81/41/505018141.db2.gz QXLFMACFXFRQNU-HOJOPBEUSA-N 0 3 361.511 3.085 20 30 FGEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C12CCCC2 ZINC000565977060 505043413 /nfs/dbraw/zinc/04/34/13/505043413.db2.gz UYIVKLROKIWJOU-IRXDYDNUSA-N 0 3 361.873 3.478 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000566085010 505075291 /nfs/dbraw/zinc/07/52/91/505075291.db2.gz BROAPLLJNYUQOW-INIZCTEOSA-N 0 3 354.479 3.036 20 30 FGEDHN C=CCN(C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000557219336 505094702 /nfs/dbraw/zinc/09/47/02/505094702.db2.gz RCUSCOXENWPMJK-ZDUSSCGKSA-N 0 3 360.679 3.493 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1C#N ZINC000560484785 505099594 /nfs/dbraw/zinc/09/95/94/505099594.db2.gz QLTHYDJGNRKQOE-CQSZACIVSA-N 0 3 358.511 3.107 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)N3CCC(CCC#N)CC3)c2)CC1 ZINC000566186916 505106820 /nfs/dbraw/zinc/10/68/20/505106820.db2.gz MCQNJHXZUJLMRL-UHFFFAOYSA-N 0 3 369.513 3.376 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000554216554 505117721 /nfs/dbraw/zinc/11/77/21/505117721.db2.gz JMCDZDZAMJPQLY-FQEVSTJZSA-N 0 3 371.481 3.163 20 30 FGEDHN CN(C)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000554214070 505118086 /nfs/dbraw/zinc/11/80/86/505118086.db2.gz KLNYKGAXUFCLMA-FQEVSTJZSA-N 0 3 362.477 3.019 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000563366400 505121506 /nfs/dbraw/zinc/12/15/06/505121506.db2.gz YMFQAWWGEBSLHZ-WOJBJXKFSA-N 0 3 369.509 3.014 20 30 FGEDHN C=CCC(C)(C)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000560600282 505139591 /nfs/dbraw/zinc/13/95/91/505139591.db2.gz BVDZTZNQCKALOC-HXUWFJFHSA-N 0 3 355.526 3.007 20 30 FGEDHN C=CCOCCN[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563496301 505156301 /nfs/dbraw/zinc/15/63/01/505156301.db2.gz XKHSNRDOSCCHJN-WMZOPIPTSA-N 0 3 354.853 3.322 20 30 FGEDHN CN(c1nccc(C#N)c1Cl)C1CCN(CCc2ccccn2)CC1 ZINC000557534934 505160180 /nfs/dbraw/zinc/16/01/80/505160180.db2.gz AYOBXMIXBZDWCK-UHFFFAOYSA-N 0 3 355.873 3.145 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000557756799 505222744 /nfs/dbraw/zinc/22/27/44/505222744.db2.gz UFLFPRNDFJHKQQ-UHFFFAOYSA-N 0 3 365.562 3.064 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C#N)c(F)c2)c1 ZINC000566708177 505249714 /nfs/dbraw/zinc/24/97/14/505249714.db2.gz FMVLMZOIUTUZDH-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cc(C#N)ccc1OC ZINC000551751176 505298660 /nfs/dbraw/zinc/29/86/60/505298660.db2.gz ZOWQVSYNFTZBRE-KXBFYZLASA-N 0 3 352.434 3.077 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cccc4c3OCCCO4)CC2)cc1 ZINC000561278935 505301970 /nfs/dbraw/zinc/30/19/70/505301970.db2.gz UWAOJPXFVANPIB-UHFFFAOYSA-N 0 3 363.461 3.478 20 30 FGEDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1(c2cccc(C#N)c2)CC1 ZINC000551814002 505316336 /nfs/dbraw/zinc/31/63/36/505316336.db2.gz QJSFQAGUGMJLOX-AWEZNQCLSA-N 0 3 364.405 3.462 20 30 FGEDHN CN1CCC(Oc2ccc(CNc3ccc(Cl)c(C#N)n3)cc2)CC1 ZINC000561347847 505321594 /nfs/dbraw/zinc/32/15/94/505321594.db2.gz WIDFQDUYYPUHPS-UHFFFAOYSA-N 0 3 356.857 3.114 20 30 FGEDHN COc1ccc(C[C@@](C)(O)CN[C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000555002546 505325757 /nfs/dbraw/zinc/32/57/57/505325757.db2.gz IFPNGJCDFYVWKS-SPLOXXLWSA-N 0 3 372.440 3.359 20 30 FGEDHN C[C@H]1CN(CCCNc2cccc(Br)c2C#N)CCCO1 ZINC000558608310 505438035 /nfs/dbraw/zinc/43/80/35/505438035.db2.gz NICPAPNYDMBSQK-ZDUSSCGKSA-N 0 3 352.276 3.234 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567523862 505488146 /nfs/dbraw/zinc/48/81/46/505488146.db2.gz SGFYGICKRICJOV-IEBWSBKVSA-N 0 3 367.896 3.239 20 30 FGEDHN N#Cc1ccc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 ZINC000552560379 505514342 /nfs/dbraw/zinc/51/43/42/505514342.db2.gz ZWRWHAMDVHKAFD-HXUWFJFHSA-N 0 3 364.468 3.094 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000562216344 505542740 /nfs/dbraw/zinc/54/27/40/505542740.db2.gz UNYNUBOZSLBFDY-UHFFFAOYSA-N 0 3 371.481 3.121 20 30 FGEDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000567724557 505550341 /nfs/dbraw/zinc/55/03/41/505550341.db2.gz JDEHMHLZJMIRRL-GJZGRUSLSA-N 0 3 374.554 3.099 20 30 FGEDHN CN(CCN1CCCCC1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000593113194 506400212 /nfs/dbraw/zinc/40/02/12/506400212.db2.gz MLJFJFRCWAOHBG-UHFFFAOYSA-N 0 3 362.905 3.004 20 30 FGEDHN C[C@@H]1SCCN(C[C@H](O)CC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000599301339 506403460 /nfs/dbraw/zinc/40/34/60/506403460.db2.gz CYAYEQUPKFRIOB-QXAKKESOSA-N 0 3 360.523 3.236 20 30 FGEDHN Cc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1C#N ZINC000599345096 506421221 /nfs/dbraw/zinc/42/12/21/506421221.db2.gz LWWOQBPRWHKPNL-FQEVSTJZSA-N 0 3 351.494 3.481 20 30 FGEDHN COc1ccc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1Br ZINC000599351507 506424316 /nfs/dbraw/zinc/42/43/16/506424316.db2.gz ZAHWPVSRIRLBJH-YPMHNXCESA-N 0 3 353.260 3.163 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000603128567 506429931 /nfs/dbraw/zinc/42/99/31/506429931.db2.gz JPXGLTJYDBAHIC-OXJNMPFZSA-N 0 3 363.465 3.470 20 30 FGEDHN CCN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCN(C)C1 ZINC000596534672 506451584 /nfs/dbraw/zinc/45/15/84/506451584.db2.gz PQVLYQRMWOCICU-HXUWFJFHSA-N 0 3 362.477 3.461 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCCC[C@@H]2Cc2ccccc2F)CCOCC1 ZINC000599450567 506460401 /nfs/dbraw/zinc/46/04/01/506460401.db2.gz KEEFFLJIMSWYAB-RTBURBONSA-N 0 3 360.473 3.294 20 30 FGEDHN Cc1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1C#N ZINC000599450213 506460702 /nfs/dbraw/zinc/46/07/02/506460702.db2.gz AYTUVVWLZIILRN-DHIUTWEWSA-N 0 3 361.489 3.342 20 30 FGEDHN N#CC1(CNC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCC1 ZINC000582895351 506476823 /nfs/dbraw/zinc/47/68/23/506476823.db2.gz KXKJOABHXGSCHX-QFIPXVFZSA-N 0 3 366.509 3.378 20 30 FGEDHN C[C@@H](CNC[C@H](O)COc1ccc(CC#N)cc1)Oc1cccc(Cl)c1 ZINC000582900595 506479352 /nfs/dbraw/zinc/47/93/52/506479352.db2.gz QTDOWASSAFHQNS-YJBOKZPZSA-N 0 3 374.868 3.203 20 30 FGEDHN CN1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000589284824 506507392 /nfs/dbraw/zinc/50/73/92/506507392.db2.gz ZIMDICXMFFBOAC-PKOBYXMFSA-N 0 3 374.916 3.017 20 30 FGEDHN Cc1cc(C(C)(C)NCCC(=O)N(C)CCC#N)ccc1Br ZINC000589308718 506513319 /nfs/dbraw/zinc/51/33/19/506513319.db2.gz FATXENVUICURBS-UHFFFAOYSA-N 0 3 366.303 3.344 20 30 FGEDHN COc1cccc([C@@H](CNC(=O)NCC2(C#N)CCCC2)N2CCCC2)c1 ZINC000593294141 506520054 /nfs/dbraw/zinc/52/00/54/506520054.db2.gz DWPSOPCAZWZDFL-LJQANCHMSA-N 0 3 370.497 3.215 20 30 FGEDHN COc1ccc([C@@H](C)N(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000603464268 506521935 /nfs/dbraw/zinc/52/19/35/506521935.db2.gz SQYNKLCFVPCMKA-VQIMIIECSA-N 0 3 354.450 3.194 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)Nc3ccccc3F)CCOCC2)cc1 ZINC000599632180 506540914 /nfs/dbraw/zinc/54/09/14/506540914.db2.gz RVRLIUKDBXQJDP-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN N#CC1(CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000593331301 506547927 /nfs/dbraw/zinc/54/79/27/506547927.db2.gz XEVBIVUEPUTWRB-LJQANCHMSA-N 0 3 354.498 3.282 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000599657707 506557727 /nfs/dbraw/zinc/55/77/27/506557727.db2.gz LBZBIWCQDDCANX-KRWDZBQOSA-N 0 3 364.493 3.469 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000603642734 506586828 /nfs/dbraw/zinc/58/68/28/506586828.db2.gz SNFRDELXTQRZMZ-NRFANRHFSA-N 0 3 350.462 3.253 20 30 FGEDHN N#Cc1cccnc1OC1CCC(NCc2cnnn2-c2ccccc2)CC1 ZINC000593620899 506706123 /nfs/dbraw/zinc/70/61/23/506706123.db2.gz QXBYWPLBVHJVGI-UHFFFAOYSA-N 0 3 374.448 3.014 20 30 FGEDHN Cn1c2ccccc2nc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692772 506734545 /nfs/dbraw/zinc/73/45/45/506734545.db2.gz JYWWCZDFCYUBFL-UHFFFAOYSA-N 0 3 359.477 3.199 20 30 FGEDHN COc1cccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1F ZINC000593693143 506734703 /nfs/dbraw/zinc/73/47/03/506734703.db2.gz QSSNZKZZSZDDRH-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN CO[C@@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000583376377 506747085 /nfs/dbraw/zinc/74/70/85/506747085.db2.gz LDOHANPXPQQJEJ-QUCCMNQESA-N 0 3 374.868 3.123 20 30 FGEDHN N#Cc1cccc(CN2CCC(N[C@@H](c3nc[nH]n3)c3ccccc3)CC2)c1 ZINC000593723375 506747966 /nfs/dbraw/zinc/74/79/66/506747966.db2.gz VBDRTDSQCJHWSV-OAQYLSRUSA-N 0 3 372.476 3.020 20 30 FGEDHN Cn1nc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000612829309 506768683 /nfs/dbraw/zinc/76/86/83/506768683.db2.gz ZAOXZWOANTXDEU-UHFFFAOYSA-N 0 3 359.477 3.199 20 30 FGEDHN CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597155906 506802540 /nfs/dbraw/zinc/80/25/40/506802540.db2.gz BBJVHCJHAFQWGW-UHFFFAOYSA-N 0 3 373.456 3.360 20 30 FGEDHN COCCN(CCN(C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609188959 506806931 /nfs/dbraw/zinc/80/69/31/506806931.db2.gz FMWICGCTKBACBW-UHFFFAOYSA-N 0 3 367.449 3.001 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000609204484 506813538 /nfs/dbraw/zinc/81/35/38/506813538.db2.gz RBOMBRXSPPTKOT-ICSRJNTNSA-N 0 3 354.425 3.121 20 30 FGEDHN CN1C[C@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1 ZINC000590447060 506826502 /nfs/dbraw/zinc/82/65/02/506826502.db2.gz YANFYQWKSSAUTO-MJGOQNOKSA-N 0 3 363.486 3.486 20 30 FGEDHN CC(C)C[C@H](CNCc1cnc2c(C#N)cnn2c1)CC(=O)OC(C)(C)C ZINC000597230488 506849495 /nfs/dbraw/zinc/84/94/95/506849495.db2.gz SBSSHPDCVLPIHW-HNNXBMFYSA-N 0 3 371.485 3.085 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000593958414 506851020 /nfs/dbraw/zinc/85/10/20/506851020.db2.gz VZDGXNAOPURSOQ-KRWDZBQOSA-N 0 3 365.477 3.453 20 30 FGEDHN CCOC(=O)c1ccc(C#N)c(SCCN(C)Cc2ccc(F)cc2)n1 ZINC000612998791 506856896 /nfs/dbraw/zinc/85/68/96/506856896.db2.gz ORRLPCRGXHBKJY-UHFFFAOYSA-N 0 3 373.453 3.493 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000593989437 506869041 /nfs/dbraw/zinc/86/90/41/506869041.db2.gz QIKUTHYZCIGONH-MRXNPFEDSA-N 0 3 355.507 3.389 20 30 FGEDHN CCC(C)(C)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000594020248 506887827 /nfs/dbraw/zinc/88/78/27/506887827.db2.gz DUCOUKWXVFJOEN-AWEZNQCLSA-N 0 3 374.554 3.242 20 30 FGEDHN CC[C@H](NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCCCO1 ZINC000594045077 506904064 /nfs/dbraw/zinc/90/40/64/506904064.db2.gz SWFGWWAJYPMPBJ-PMACEKPBSA-N 0 3 357.498 3.487 20 30 FGEDHN CC(C)OC(=O)C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000594047460 506905590 /nfs/dbraw/zinc/90/55/90/506905590.db2.gz XFLYKJVALAQCFA-INIZCTEOSA-N 0 3 365.861 3.106 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000609554475 506920523 /nfs/dbraw/zinc/92/05/23/506920523.db2.gz QCHLDKBRFKASFI-HNNXBMFYSA-N 0 3 352.438 3.209 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCn1cc(Br)ccc1=O ZINC000590778825 506949808 /nfs/dbraw/zinc/94/98/08/506949808.db2.gz ANPWXTPIZHDFIP-QGZVFWFLSA-N 0 3 372.266 3.150 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C[C@H]1CCOC1 ZINC000609631786 506953635 /nfs/dbraw/zinc/95/36/35/506953635.db2.gz XWEKDMOHCXZMEE-QGZVFWFLSA-N 0 3 372.513 3.389 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CC[C@H](Cc4ccncc4)C3)C2=O)cc1 ZINC000613179270 506957104 /nfs/dbraw/zinc/95/71/04/506957104.db2.gz RMXJFTSOEOUCNA-TZIWHRDSSA-N 0 3 360.461 3.013 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H](c3cccnc3)C2)c(-c2ccncc2)n1 ZINC000583813326 506988356 /nfs/dbraw/zinc/98/83/56/506988356.db2.gz KTQLNMQEVPESOQ-LJQANCHMSA-N 0 3 358.449 3.243 20 30 FGEDHN C[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCCC[C@@H]1C ZINC000594209867 507011599 /nfs/dbraw/zinc/01/15/99/507011599.db2.gz XJDQTFPKVNKBBN-IRXDYDNUSA-N 0 3 354.498 3.500 20 30 FGEDHN CCCC[C@H](NC(=O)C(C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000609920699 507049848 /nfs/dbraw/zinc/04/98/48/507049848.db2.gz BFJCETDSWLKKKC-YJBOKZPZSA-N 0 3 356.470 3.060 20 30 FGEDHN CC(C#N)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000609920700 507050877 /nfs/dbraw/zinc/05/08/77/507050877.db2.gz BIMKBKFUPFGZSV-JTQLQIEISA-N 0 3 350.205 3.302 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000590952987 507057750 /nfs/dbraw/zinc/05/77/50/507057750.db2.gz OGMBWLXPDLOLNU-SFHVURJKSA-N 0 3 350.422 3.173 20 30 FGEDHN CN(Cc1ccnc(C#N)c1)[C@@H]1CCCC[C@@H]1N(C)Cc1ccnc(C#N)c1 ZINC000613383452 507061517 /nfs/dbraw/zinc/06/15/17/507061517.db2.gz VBCLFEHWBGPCKB-SZPZYZBQSA-N 0 3 374.492 3.095 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000594284475 507062840 /nfs/dbraw/zinc/06/28/40/507062840.db2.gz YWAXACSYEHUKRY-NHCUHLMSSA-N 0 3 364.493 3.374 20 30 FGEDHN N#Cc1cc(CN(CCCOc2ccccc2)C2CCOCC2)ccn1 ZINC000613385772 507063785 /nfs/dbraw/zinc/06/37/85/507063785.db2.gz HUEVIMBQMGBVTH-UHFFFAOYSA-N 0 3 351.450 3.403 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2ccccc2OC2CCCC2)CCOCC1 ZINC000600714728 507078028 /nfs/dbraw/zinc/07/80/28/507078028.db2.gz BZIQZNAEIFKLJR-SFHVURJKSA-N 0 3 358.482 3.169 20 30 FGEDHN C[C@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1cccc(Cl)c1 ZINC000600723343 507083364 /nfs/dbraw/zinc/08/33/64/507083364.db2.gz KVKPQPAEVWFZQE-RHSMWYFYSA-N 0 3 360.841 3.008 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000600732141 507088534 /nfs/dbraw/zinc/08/85/34/507088534.db2.gz XKCMZPKJERCRHK-LJQANCHMSA-N 0 3 367.424 3.222 20 30 FGEDHN Cc1cc(C(F)(F)F)ccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600736476 507091756 /nfs/dbraw/zinc/09/17/56/507091756.db2.gz ZKIXJIKXHLNLCH-MRXNPFEDSA-N 0 3 356.388 3.175 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccccc1CC(F)(F)F ZINC000600762729 507106891 /nfs/dbraw/zinc/10/68/91/507106891.db2.gz WGZYBMQLYZJMBV-KRWDZBQOSA-N 0 3 364.367 3.193 20 30 FGEDHN COc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)c2ccccc2)cc1 ZINC000594425573 507126639 /nfs/dbraw/zinc/12/66/39/507126639.db2.gz KWVFXOVCXCEJDD-WOJBJXKFSA-N 0 3 351.450 3.312 20 30 FGEDHN COc1c(Br)cc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594427812 507127361 /nfs/dbraw/zinc/12/73/61/507127361.db2.gz JPSLKURVWNSCQJ-NSHDSACASA-N 0 3 374.666 3.461 20 30 FGEDHN COc1ccc(OC)c(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)c1 ZINC000594426930 507127720 /nfs/dbraw/zinc/12/77/20/507127720.db2.gz TWGKOORQUVJAJK-CQSZACIVSA-N 0 3 374.466 3.177 20 30 FGEDHN COc1c(Br)cc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594427800 507128159 /nfs/dbraw/zinc/12/81/59/507128159.db2.gz JPSLKURVWNSCQJ-LLVKDONJSA-N 0 3 374.666 3.461 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1NC(=O)c1ccccc1 ZINC000594430049 507129438 /nfs/dbraw/zinc/12/94/38/507129438.db2.gz XPISZLOAJSVHTJ-MRXNPFEDSA-N 0 3 350.422 3.289 20 30 FGEDHN CCOc1ccc(Br)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594431931 507129610 /nfs/dbraw/zinc/12/96/10/507129610.db2.gz SRRHWJXYQBKXPS-LBPRGKRZSA-N 0 3 354.248 3.198 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000594432236 507130836 /nfs/dbraw/zinc/13/08/36/507130836.db2.gz ZYUXJTOEGIFGTN-OAHLLOKOSA-N 0 3 364.421 3.362 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000594434146 507130888 /nfs/dbraw/zinc/13/08/88/507130888.db2.gz WVPFZUMGJMZEBF-HOTGVXAUSA-N 0 3 369.387 3.017 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000594432208 507131311 /nfs/dbraw/zinc/13/13/11/507131311.db2.gz ZSRPBCLPLDMSLS-FQEVSTJZSA-N 0 3 363.461 3.316 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC000594437874 507132659 /nfs/dbraw/zinc/13/26/59/507132659.db2.gz LBSRINCYBQBUJZ-SFHVURJKSA-N 0 3 361.449 3.434 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000594440887 507135473 /nfs/dbraw/zinc/13/54/73/507135473.db2.gz IXGGKASBZSEKDI-QGZVFWFLSA-N 0 3 351.454 3.236 20 30 FGEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OCc1cccnc1 ZINC000594441932 507135920 /nfs/dbraw/zinc/13/59/20/507135920.db2.gz YVUPKILTXYKBAO-KRWDZBQOSA-N 0 3 368.437 3.019 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000594447904 507138490 /nfs/dbraw/zinc/13/84/90/507138490.db2.gz XFYMZXGWUYQXCQ-JKSUJKDBSA-N 0 3 351.903 3.368 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000594454104 507140617 /nfs/dbraw/zinc/14/06/17/507140617.db2.gz SWYTWIZYCRUUBC-HNNXBMFYSA-N 0 3 365.359 3.241 20 30 FGEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310807 507194946 /nfs/dbraw/zinc/19/49/46/507194946.db2.gz MYLIVHCGJBHOKY-AZUAARDMSA-N 0 3 361.449 3.031 20 30 FGEDHN COC(=O)c1ccc(NCC2CCN(Cc3cccs3)CC2)c(C#N)n1 ZINC000584183173 507199051 /nfs/dbraw/zinc/19/90/51/507199051.db2.gz XLMODEDHHGCRFK-UHFFFAOYSA-N 0 3 370.478 3.125 20 30 FGEDHN C=CCCSCCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000597969434 507201361 /nfs/dbraw/zinc/20/13/61/507201361.db2.gz AVNCVKHJVCEPCO-CHWSQXEVSA-N 0 3 352.466 3.321 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)c1cccc(OC)c1 ZINC000600982631 507214446 /nfs/dbraw/zinc/21/44/46/507214446.db2.gz BMVSSHHZOPBKLQ-SFHVURJKSA-N 0 3 355.482 3.278 20 30 FGEDHN COc1cccc(C2(NCCOc3cccc(C#N)c3)CCOCC2)c1F ZINC000584211782 507214851 /nfs/dbraw/zinc/21/48/51/507214851.db2.gz LWHKHLKZMHZQFS-UHFFFAOYSA-N 0 3 370.424 3.380 20 30 FGEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000591360320 507218846 /nfs/dbraw/zinc/21/88/46/507218846.db2.gz KSMFBWJXZMJPTM-SFTDATJTSA-N 0 3 360.461 3.271 20 30 FGEDHN CN1CCC2(CC1)C[C@@H](NC(=O)C1(C#N)CC3(CC3)C1)c1ccccc1O2 ZINC000600996098 507219654 /nfs/dbraw/zinc/21/96/54/507219654.db2.gz SLPDDQNQCMOUPY-QGZVFWFLSA-N 0 3 365.477 3.175 20 30 FGEDHN CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN(CC)C1 ZINC000598042217 507230584 /nfs/dbraw/zinc/23/05/84/507230584.db2.gz WJAODUPMLGEWAO-GOSISDBHSA-N 0 3 364.449 3.302 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000591407600 507240058 /nfs/dbraw/zinc/24/00/58/507240058.db2.gz VPGTVOLZTJRSGH-QUCCMNQESA-N 0 3 352.482 3.205 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](O)COCc1ccccc1F ZINC000584287173 507260437 /nfs/dbraw/zinc/26/04/37/507260437.db2.gz WINWUKKRIAUFJL-GHTZIAJQSA-N 0 3 354.425 3.242 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000610538446 507281245 /nfs/dbraw/zinc/28/12/45/507281245.db2.gz QWKDTBJUQCJYMH-OXQOHEQNSA-N 0 3 354.450 3.281 20 30 FGEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000598173292 507294310 /nfs/dbraw/zinc/29/43/10/507294310.db2.gz BLNXPLBMRPORCY-MTQWCTHYSA-N 0 3 368.477 3.339 20 30 FGEDHN N#CC1(c2ccc(CNC[C@@H](Cc3ccccc3Cl)C(N)=O)cc2)CC1 ZINC000594935064 507321677 /nfs/dbraw/zinc/32/16/77/507321677.db2.gz NGGDDMVJLVKGOI-QGZVFWFLSA-N 0 3 367.880 3.329 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cnc(C(F)(F)F)nc3)CC2)cc1 ZINC000594949654 507326121 /nfs/dbraw/zinc/32/61/21/507326121.db2.gz GJXPGBXESGCWNY-UHFFFAOYSA-N 0 3 361.371 3.126 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)C(C)C ZINC000606371232 507380676 /nfs/dbraw/zinc/38/06/76/507380676.db2.gz BPZDZIBCCXLBNV-HXUWFJFHSA-N 0 3 371.525 3.485 20 30 FGEDHN CC(C)[C@H](O)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000598350350 507389609 /nfs/dbraw/zinc/38/96/09/507389609.db2.gz IFOWCLKVVFPZRH-ACRUOGEOSA-N 0 3 361.445 3.115 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000584518633 507389975 /nfs/dbraw/zinc/38/99/75/507389975.db2.gz UMIOJJMRKATKEU-UNMCSNQZSA-N 0 3 374.488 3.359 20 30 FGEDHN CN1CCC(n2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cn2)CC1 ZINC000601775493 507454724 /nfs/dbraw/zinc/45/47/24/507454724.db2.gz FFSCTXRIFSPIAO-UHFFFAOYSA-N 0 3 351.454 3.203 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@H](CCCN4C4CC4)C3)o2)c1 ZINC000610995347 507473473 /nfs/dbraw/zinc/47/34/73/507473473.db2.gz WGLZBFPXVYNGJZ-MJGOQNOKSA-N 0 3 363.465 3.057 20 30 FGEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000598536781 507475483 /nfs/dbraw/zinc/47/54/83/507475483.db2.gz WRWGPQMNTSESJP-WOJBJXKFSA-N 0 3 369.509 3.176 20 30 FGEDHN C[C@](CO)(Cc1ccccc1F)NC(=O)C(C#N)CCc1ccccc1 ZINC000601853879 507488546 /nfs/dbraw/zinc/48/85/46/507488546.db2.gz YSXVWKISWTUBNB-GHTZIAJQSA-N 0 3 354.425 3.008 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000614402440 507498304 /nfs/dbraw/zinc/49/83/04/507498304.db2.gz YCMPIJZUDQWMFS-KRWDZBQOSA-N 0 3 367.415 3.490 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000598590632 507508390 /nfs/dbraw/zinc/50/83/90/507508390.db2.gz RUEDAURDVGZNJK-QGZVFWFLSA-N 0 3 354.454 3.217 20 30 FGEDHN CC(C)[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1(CO)CC=CC1 ZINC000592177229 507524783 /nfs/dbraw/zinc/52/47/83/507524783.db2.gz MGHPZKBZEAPNNJ-SFHVURJKSA-N 0 3 352.438 3.051 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000601966556 507531819 /nfs/dbraw/zinc/53/18/19/507531819.db2.gz RGXOCONFJURGRI-GGPKGHCWSA-N 0 3 372.852 3.071 20 30 FGEDHN N#CCCCOc1cccc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000601967718 507532069 /nfs/dbraw/zinc/53/20/69/507532069.db2.gz XJJSRDUTGPVBEQ-JOCHJYFZSA-N 0 3 365.477 3.418 20 30 FGEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)C ZINC000584836507 507532534 /nfs/dbraw/zinc/53/25/34/507532534.db2.gz LVWOMQBAMUJLDE-HNNXBMFYSA-N 0 3 372.513 3.086 20 30 FGEDHN N#Cc1c(F)cccc1CNC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000602002134 507548940 /nfs/dbraw/zinc/54/89/40/507548940.db2.gz BHNGAQLIJPOKLJ-UHFFFAOYSA-N 0 3 365.452 3.411 20 30 FGEDHN CCCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCN(C)C1 ZINC000592258210 507566559 /nfs/dbraw/zinc/56/65/59/507566559.db2.gz OBVZULSJDUABFR-CQSZACIVSA-N 0 3 370.375 3.405 20 30 FGEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611267799 507592564 /nfs/dbraw/zinc/59/25/64/507592564.db2.gz SIUZXNNAFQJWNN-GFCCVEGCSA-N 0 3 369.377 3.468 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000595692281 507631297 /nfs/dbraw/zinc/63/12/97/507631297.db2.gz MZDPMRVQDDJRDX-OTWHNJEPSA-N 0 3 354.498 3.341 20 30 FGEDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000611388898 507656717 /nfs/dbraw/zinc/65/67/17/507656717.db2.gz UHXCMGBXFMVXOE-ZDUSSCGKSA-N 0 3 368.393 3.154 20 30 FGEDHN CS(=O)(=O)Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391130 507659040 /nfs/dbraw/zinc/65/90/40/507659040.db2.gz ULKQIAFTZMFMEP-FQEVSTJZSA-N 0 3 354.475 3.270 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000611396391 507661133 /nfs/dbraw/zinc/66/11/33/507661133.db2.gz OWNKBIRERODMSA-GOSISDBHSA-N 0 3 356.853 3.425 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NC/C=C\c3ccc(F)c(F)c3)C2=O)cc1 ZINC000586778928 507668760 /nfs/dbraw/zinc/66/87/60/507668760.db2.gz YDLRLDXNSPWQOB-SZSMBMMGSA-N 0 3 367.399 3.240 20 30 FGEDHN COc1ccc(OCCNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595775791 507679620 /nfs/dbraw/zinc/67/96/20/507679620.db2.gz YTGVVRYWTMBOJW-UHFFFAOYSA-N 0 3 352.434 3.241 20 30 FGEDHN COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)s1 ZINC000595915461 507743283 /nfs/dbraw/zinc/74/32/83/507743283.db2.gz ZQMWPTWEUQMDAJ-INIZCTEOSA-N 0 3 355.463 3.375 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000602551089 507746633 /nfs/dbraw/zinc/74/66/33/507746633.db2.gz LWYOBBANGRTDJB-GOSISDBHSA-N 0 3 360.383 3.336 20 30 FGEDHN CC1(C)CN(C(=O)[C@H](N)CCCCC#N)c2ccc(Br)cc21 ZINC000602555617 507747180 /nfs/dbraw/zinc/74/71/80/507747180.db2.gz MVLKJUJKDVMCGR-CQSZACIVSA-N 0 3 364.287 3.485 20 30 FGEDHN CC1(C)CN(c2cc(C#N)cnn2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596002107 507755590 /nfs/dbraw/zinc/75/55/90/507755590.db2.gz DUEBEVHJLDUKKO-NRFANRHFSA-N 0 3 361.493 3.475 20 30 FGEDHN CCCCCCC[NH+]1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736447778 598984257 /nfs/dbraw/zinc/98/42/57/598984257.db2.gz HSICHTOHOGIKPR-UHFFFAOYSA-N 0 3 370.501 3.488 20 30 FGEDHN CCCCCCC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736447778 598984259 /nfs/dbraw/zinc/98/42/59/598984259.db2.gz HSICHTOHOGIKPR-UHFFFAOYSA-N 0 3 370.501 3.488 20 30 FGEDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722683 601321845 /nfs/dbraw/zinc/32/18/45/601321845.db2.gz HOGUENOZTQDXRD-PZJWPPBQSA-N 0 3 363.461 3.138 20 30 FGEDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722683 601321847 /nfs/dbraw/zinc/32/18/47/601321847.db2.gz HOGUENOZTQDXRD-PZJWPPBQSA-N 0 3 363.461 3.138 20 30 FGEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826380578 608545255 /nfs/dbraw/zinc/54/52/55/608545255.db2.gz FVEMJQVOTHRWJY-UHFFFAOYSA-N 0 3 358.449 3.360 20 30 FGEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826380578 608545256 /nfs/dbraw/zinc/54/52/56/608545256.db2.gz FVEMJQVOTHRWJY-UHFFFAOYSA-N 0 3 358.449 3.360 20 30 FGEDHN CCSc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000007834771 695577232 /nfs/dbraw/zinc/57/72/32/695577232.db2.gz CLYNHEUJOIGBHV-MRVPVSSYSA-N 0 3 356.523 3.384 20 30 FGEDHN N#CC(C(=O)C1CCN(CC(F)(F)F)CC1)c1nc2ccccc2[nH]1 ZINC000048813807 695889918 /nfs/dbraw/zinc/88/99/18/695889918.db2.gz KJRUXFBYDGUIRL-LBPRGKRZSA-N 0 3 350.344 3.013 20 30 FGEDHN N#CC(C(=O)Cc1ccccc1C(F)(F)F)C(=O)NC1CCCCC1 ZINC000105756677 700504539 /nfs/dbraw/zinc/50/45/39/700504539.db2.gz BTMRDSPVMKNDQM-AWEZNQCLSA-N 0 3 352.356 3.406 20 30 FGEDHN CCOc1ncc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000112483901 700560147 /nfs/dbraw/zinc/56/01/47/700560147.db2.gz DJQSXHAAINPBSI-AWEZNQCLSA-N 0 3 357.797 3.403 20 30 FGEDHN CN(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cc(Cl)n1 ZINC000113650768 700573577 /nfs/dbraw/zinc/57/35/77/700573577.db2.gz GNNMIPZZGYKRKP-LBPRGKRZSA-N 0 3 353.813 3.178 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@H]1CCCCO1 ZINC000120008113 700645588 /nfs/dbraw/zinc/64/55/88/700645588.db2.gz IFJOKIZDMZQAOE-CHWSQXEVSA-N 0 3 364.829 3.264 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@H]1CCCCO1 ZINC000120007989 700645679 /nfs/dbraw/zinc/64/56/79/700645679.db2.gz IFJOKIZDMZQAOE-OLZOCXBDSA-N 0 3 364.829 3.264 20 30 FGEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000120246603 700651300 /nfs/dbraw/zinc/65/13/00/700651300.db2.gz HJFVLTSGCOHNFK-YGRLFVJLSA-N 0 3 368.405 3.464 20 30 FGEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000127898358 700768183 /nfs/dbraw/zinc/76/81/83/700768183.db2.gz WJDLCUBPYYFFER-LLVKDONJSA-N 0 3 368.245 3.114 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000132661957 700829971 /nfs/dbraw/zinc/82/99/71/700829971.db2.gz IDJLSSGFDYMRKE-RISCZKNCSA-N 0 3 351.244 3.176 20 30 FGEDHN C=C(C)COc1cc(CNCCNC(=O)c2cccs2)ccc1OC ZINC000142917855 704884916 /nfs/dbraw/zinc/88/49/16/704884916.db2.gz UQLLCQQOMXRUFJ-UHFFFAOYSA-N 0 3 360.479 3.231 20 30 FGEDHN N#CC(C(=O)CSC[C@@H]1CCCCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000171364386 705382268 /nfs/dbraw/zinc/38/22/68/705382268.db2.gz PUGGYFPXVHOSFK-GJZGRUSLSA-N 0 3 366.870 3.290 20 30 FGEDHN COCCNC(=O)C(C#N)C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000178768796 705674868 /nfs/dbraw/zinc/67/48/68/705674868.db2.gz HCVPPDORMWXNIW-ZDUSSCGKSA-N 0 3 371.264 3.178 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000193380724 712889092 /nfs/dbraw/zinc/88/90/92/712889092.db2.gz FDZDKCLPQQTQQT-KBPBESRZSA-N 0 3 350.846 3.431 20 30 FGEDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000523911244 714258355 /nfs/dbraw/zinc/25/83/55/714258355.db2.gz ZDZYNLUBSWQXLT-HNNXBMFYSA-N 0 3 369.918 3.145 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@H]2CCN(C(=O)CC)C2)cc1OC ZINC000623449646 715338319 /nfs/dbraw/zinc/33/83/19/715338319.db2.gz FTJPVSZLNBZHSM-AWEZNQCLSA-N 0 3 352.862 3.014 20 30 FGEDHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000625699676 715775187 /nfs/dbraw/zinc/77/51/87/715775187.db2.gz CJVUZRRBSOAJQI-LBPRGKRZSA-N 0 3 357.317 3.367 20 30 FGEDHN C=CCOc1ccc(CN2CCC(CCO)(CCO)CC2)cc1Cl ZINC000639393776 717552786 /nfs/dbraw/zinc/55/27/86/717552786.db2.gz BNBDBCQAZKHHPP-UHFFFAOYSA-N 0 3 353.890 3.252 20 30 FGEDHN CCCN1CCN(c2ccccc2CN=Nc2ncncc2Cl)CC1 ZINC000780279312 724456490 /nfs/dbraw/zinc/45/64/90/724456490.db2.gz BFSQZFDTHWORHW-UHFFFAOYSA-N 0 3 358.877 3.108 20 30 FGEDHN C[C@@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@@H](C)CN1C ZINC001164638030 719204528 /nfs/dbraw/zinc/20/45/28/719204528.db2.gz MYNLADMPOFZHKA-NEPJUHHUSA-N 0 3 359.836 3.337 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1CCSCC1 ZINC000733053868 722491737 /nfs/dbraw/zinc/49/17/37/722491737.db2.gz UEAYEWULNZFGHG-LBPRGKRZSA-N 0 3 366.870 3.448 20 30 FGEDHN CCCCCCCCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000737030277 722525811 /nfs/dbraw/zinc/52/58/11/722525811.db2.gz NITQMVMZFOREDW-UHFFFAOYSA-N 0 3 353.551 3.491 20 30 FGEDHN N#CC(C(=O)CCCOc1cccnc1)C(=O)Nc1ccccc1Cl ZINC000744029591 722572944 /nfs/dbraw/zinc/57/29/44/722572944.db2.gz VRZUYJFIAQJYOD-AWEZNQCLSA-N 0 3 357.797 3.242 20 30 FGEDHN O=C(C#Cc1ccccc1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000747369820 722644946 /nfs/dbraw/zinc/64/49/46/722644946.db2.gz AOLPBTXIGLOWIY-UHFFFAOYSA-N 0 3 350.487 3.268 20 30 FGEDHN C[C@@H](Cc1ccccc1Cl)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000753915118 722917792 /nfs/dbraw/zinc/91/77/92/722917792.db2.gz UMEJAVMOYRRHTB-AWEZNQCLSA-N 0 3 362.882 3.206 20 30 FGEDHN CCSc1cc(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)ccn1 ZINC000755602451 722954809 /nfs/dbraw/zinc/95/48/09/722954809.db2.gz MFYBFONEFUIJTP-HNNXBMFYSA-N 0 3 355.419 3.163 20 30 FGEDHN CN(C)CCN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000790634773 723161608 /nfs/dbraw/zinc/16/16/08/723161608.db2.gz WVQVASSGSDRCDK-UHFFFAOYSA-N 0 3 352.400 3.390 20 30 FGEDHN C#CCNC(=O)C1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000793583672 723451498 /nfs/dbraw/zinc/45/14/98/723451498.db2.gz IIIWIBVLFLGPRF-UHFFFAOYSA-N 0 3 373.909 3.425 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNCCC(C)(C)C(=O)OC ZINC000796453515 723638424 /nfs/dbraw/zinc/63/84/24/723638424.db2.gz JFPLUOQEISQNAZ-UHFFFAOYSA-N 0 3 368.271 3.140 20 30 FGEDHN Cn1ccc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000796743674 723653002 /nfs/dbraw/zinc/65/30/02/723653002.db2.gz FXAKJIKWMKXSBG-GFCCVEGCSA-N 0 3 365.220 3.007 20 30 FGEDHN CC1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C#N ZINC000769891348 723699276 /nfs/dbraw/zinc/69/92/76/723699276.db2.gz BWLCSJOYGWRIFC-SUMWQHHRSA-N 0 3 352.463 3.487 20 30 FGEDHN COC(=O)N[C@@H](CC(C)C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797568489 723835994 /nfs/dbraw/zinc/83/59/94/723835994.db2.gz IXLDHZCLIXARBH-RYUDHWBXSA-N 0 3 351.472 3.388 20 30 FGEDHN CCOC(=O)N[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797568594 723836035 /nfs/dbraw/zinc/83/60/35/723836035.db2.gz JZZLHVKTGGQFEJ-AAEUAGOBSA-N 0 3 351.472 3.388 20 30 FGEDHN C[C@H](NC(=O)c1cccs1)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797572113 723836332 /nfs/dbraw/zinc/83/63/32/723836332.db2.gz YWPSNIMJBRXDJL-WDEREUQCSA-N 0 3 361.492 3.497 20 30 FGEDHN Cc1nc(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 ZINC000786313914 724972476 /nfs/dbraw/zinc/97/24/76/724972476.db2.gz YLRRAMNWERDELO-NSHDSACASA-N 0 3 365.817 3.443 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531028 724986805 /nfs/dbraw/zinc/98/68/05/724986805.db2.gz MQOMPISLHXRZMD-SKDZVZGDSA-N 0 3 362.857 3.260 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000809697335 725259742 /nfs/dbraw/zinc/25/97/42/725259742.db2.gz DYBRCBPEQRHEEN-WBVHZDCISA-N 0 3 355.404 3.029 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2nc(C#N)cs2)CC1 ZINC000810157316 725293593 /nfs/dbraw/zinc/29/35/93/725293593.db2.gz OYGTVRMFQBLGKN-HDJSIYSDSA-N 0 3 364.515 3.435 20 30 FGEDHN N#Cc1cccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000810532864 725313068 /nfs/dbraw/zinc/31/30/68/725313068.db2.gz HPYOCEDMPBNFJH-ZDUSSCGKSA-N 0 3 359.172 3.221 20 30 FGEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000812015988 725387422 /nfs/dbraw/zinc/38/74/22/725387422.db2.gz YBZKDNBRIJBRHI-CJNGLKHVSA-N 0 3 355.404 3.409 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000813060163 726834480 /nfs/dbraw/zinc/83/44/80/726834480.db2.gz RKXNOSXGOLVTFL-JQWIXIFHSA-N 0 3 369.234 3.315 20 30 FGEDHN CC(CC(F)(F)F)=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000814727757 726995413 /nfs/dbraw/zinc/99/54/13/726995413.db2.gz YCTVVFBBTLYPSO-UHFFFAOYSA-N 0 3 372.460 3.443 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccc(CSc2nc(C)cs2)cc1 ZINC000818593361 727315778 /nfs/dbraw/zinc/31/57/78/727315778.db2.gz VVPWQXOUTLJILP-UHFFFAOYSA-N 0 3 373.547 3.429 20 30 FGEDHN C#CCN(C)CCCNC(=O)CCSc1ccccc1Br ZINC000818602889 727316539 /nfs/dbraw/zinc/31/65/39/727316539.db2.gz IXPOULAEOXPCAX-UHFFFAOYSA-N 0 3 369.328 3.003 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3CCC2CC3)s1 ZINC000819508323 727380161 /nfs/dbraw/zinc/38/01/61/727380161.db2.gz NUKFJXBQWBFDGM-UHFFFAOYSA-N 0 3 371.959 3.145 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000824368890 729333664 /nfs/dbraw/zinc/33/36/64/729333664.db2.gz VYZFSMFYPJFDLV-MRXNPFEDSA-N 0 3 368.308 3.422 20 30 FGEDHN CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)C2NCc1nc(C#N)cs1 ZINC000824708172 729355998 /nfs/dbraw/zinc/35/59/98/729355998.db2.gz FGLCKKKFCIEZLQ-ZAQWFSBCSA-N 0 3 362.499 3.186 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000825045763 729368899 /nfs/dbraw/zinc/36/88/99/729368899.db2.gz KSPMGIQMCCTGKR-LIRRHRJNSA-N 0 3 359.857 3.095 20 30 FGEDHN C[C@@](CO)(NC[C@H](O)c1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000832304138 729704221 /nfs/dbraw/zinc/70/42/21/729704221.db2.gz ZDOMKJKHUJZPKW-ROUUACIJSA-N 0 3 365.260 3.396 20 30 FGEDHN COC[C@]1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCOC1 ZINC000835073460 729856508 /nfs/dbraw/zinc/85/65/08/729856508.db2.gz MRXADRSBRZQDOR-BDJLRTHQSA-N 0 3 350.827 3.179 20 30 FGEDHN CC(C)(C)C#CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000837426275 730028449 /nfs/dbraw/zinc/02/84/49/730028449.db2.gz BIXKZPKIKKMAGD-UHFFFAOYSA-N 0 3 362.901 3.349 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1scnc1C ZINC000842289971 730481297 /nfs/dbraw/zinc/48/12/97/730481297.db2.gz WRPZSLDBIZBWIO-ZDUSSCGKSA-N 0 3 357.435 3.130 20 30 FGEDHN CO[C@H](C(=O)C(C#N)c1cc(C)nc(C)n1)c1ccccc1Br ZINC000847622137 731071299 /nfs/dbraw/zinc/07/12/99/731071299.db2.gz BRKKKHVEWHPKMR-GUYCJALGSA-N 0 3 374.238 3.420 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000848398155 731160775 /nfs/dbraw/zinc/16/07/75/731160775.db2.gz DKZHNYADSGDIOX-QZTJIDSGSA-N 0 3 363.889 3.023 20 30 FGEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000858296316 732201260 /nfs/dbraw/zinc/20/12/60/732201260.db2.gz SIKHMYOETNHIBX-WBVHZDCISA-N 0 3 350.256 3.118 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872315377 735615078 /nfs/dbraw/zinc/61/50/78/735615078.db2.gz ROEXQFACTYPCQH-YJLNNSPDSA-N 0 3 359.495 3.321 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000876550024 736112532 /nfs/dbraw/zinc/11/25/32/736112532.db2.gz MSQHBCSCRVAXMI-OAHLLOKOSA-N 0 3 359.861 3.080 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nc(NC(=O)CCC)sc2c1 ZINC000876593279 736118404 /nfs/dbraw/zinc/11/84/04/736118404.db2.gz FFYNDBQRGBDPCU-NSHDSACASA-N 0 3 366.874 3.443 20 30 FGEDHN CCOP(=O)(CCCN1CCN(c2ccc(C#N)cc2)CC1)OCC ZINC000877745522 736713445 /nfs/dbraw/zinc/71/34/45/736713445.db2.gz ZESXOHLHBOYOES-UHFFFAOYSA-N 0 3 365.414 3.336 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884055316 737629477 /nfs/dbraw/zinc/62/94/77/737629477.db2.gz JEHROHURERELOK-DJBJLQPQSA-N 0 3 351.372 3.022 20 30 FGEDHN C#CCN(C(=O)CCc1ccccc1C(F)(F)F)C1CCN(C)CC1 ZINC000886572726 739271222 /nfs/dbraw/zinc/27/12/22/739271222.db2.gz YAKRGYHTRLOUMC-UHFFFAOYSA-N 0 3 352.400 3.194 20 30 FGEDHN C#CCN(C(=O)[C@H](C)c1cccc(Br)c1)C1CCN(C)CC1 ZINC000886575617 739271964 /nfs/dbraw/zinc/27/19/64/739271964.db2.gz BWPMMSQIVQIKFW-CQSZACIVSA-N 0 3 363.299 3.109 20 30 FGEDHN C#CCN(C(=O)c1cccc(-c2csc(C)n2)c1)C1CCN(C)CC1 ZINC000886580988 739272005 /nfs/dbraw/zinc/27/20/05/739272005.db2.gz FUTANBZATVZFNZ-UHFFFAOYSA-N 0 3 353.491 3.288 20 30 FGEDHN C#CCC1(NCC(=O)Nc2ccc(SC(F)F)cc2)CCOCC1 ZINC000887124858 739331243 /nfs/dbraw/zinc/33/12/43/739331243.db2.gz XRARMMPELNISPH-UHFFFAOYSA-N 0 3 354.422 3.102 20 30 FGEDHN N#Cc1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(CO)c1 ZINC000893597659 742175482 /nfs/dbraw/zinc/17/54/82/742175482.db2.gz MRMWJKMENGOVBW-UHFFFAOYSA-N 0 3 353.388 3.268 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000894026882 742229002 /nfs/dbraw/zinc/22/90/02/742229002.db2.gz AYWDKJAGSBHGAN-OAHLLOKOSA-N 0 3 356.495 3.282 20 30 FGEDHN N#Cc1cc(F)c(NC[C@H]2CCN2C2CCOCC2)cc1Br ZINC000896522078 742561509 /nfs/dbraw/zinc/56/15/09/742561509.db2.gz GVQSBIURSCERCE-CYBMUJFWSA-N 0 3 368.250 3.125 20 30 FGEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCc1nc(C#N)cs1 ZINC000897628766 742697408 /nfs/dbraw/zinc/69/74/08/742697408.db2.gz BTGYANPWQOEDRZ-TZMCWYRMSA-N 0 3 350.488 3.140 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/C=C(Cl)Cl ZINC000900244812 743080476 /nfs/dbraw/zinc/08/04/76/743080476.db2.gz BUZVBQSPFIGDOO-HWKANZROSA-N 0 3 352.265 3.324 20 30 FGEDHN C[C@@H](NC[C@@H](CO)Cc1cccc(Br)c1)c1cc(C#N)ccn1 ZINC000902972747 743794794 /nfs/dbraw/zinc/79/47/94/743794794.db2.gz HERAHTBZRUOVSC-CJNGLKHVSA-N 0 3 374.282 3.218 20 30 FGEDHN C[C@](O)(CNCc1ccnc(C(F)(F)F)c1)C(F)(F)C(F)(F)F ZINC000905273890 744008572 /nfs/dbraw/zinc/00/85/72/744008572.db2.gz OWERIBPSKYNELJ-VIFPVBQESA-N 0 3 352.225 3.139 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CC[C@H](c2noc(C)n2)C1 ZINC000905685819 744044374 /nfs/dbraw/zinc/04/43/74/744044374.db2.gz ZAHJMZGTWIOQKT-AWEZNQCLSA-N 0 3 355.467 3.453 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)COC1CCCC1 ZINC000916903169 758152234 /nfs/dbraw/zinc/15/22/34/758152234.db2.gz PCZTVOZLVCSSTR-ZDUSSCGKSA-N 0 3 364.829 3.264 20 30 FGEDHN C#CCN(C(=O)N[C@@H](C)c1ccc(F)cc1Cl)C1CCN(C)CC1 ZINC000919403899 758431313 /nfs/dbraw/zinc/43/13/13/758431313.db2.gz FGRLHQGQSBBPTB-ZDUSSCGKSA-N 0 3 351.853 3.279 20 30 FGEDHN N#Cc1cc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)cs1 ZINC000921598162 758754027 /nfs/dbraw/zinc/75/40/27/758754027.db2.gz XWPVRHPQDNZWSX-ZDUSSCGKSA-N 0 3 356.369 3.168 20 30 FGEDHN C=C1CCC(CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000922713552 758989841 /nfs/dbraw/zinc/98/98/41/758989841.db2.gz FYXMUFTZVAAZFF-OAHLLOKOSA-N 0 3 371.934 3.041 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)N(C)C)cc1 ZINC000932901077 761267762 /nfs/dbraw/zinc/26/77/62/761267762.db2.gz ZDNNKBRDMSZLQM-KBPBESRZSA-N 0 3 374.432 3.155 20 30 FGEDHN C[C@@H]1CSCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934302387 761591678 /nfs/dbraw/zinc/59/16/78/761591678.db2.gz YQLSQVHNZAWYOK-HIFRSBDPSA-N 0 3 352.463 3.051 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC000970220947 762872260 /nfs/dbraw/zinc/87/22/60/762872260.db2.gz OILFPRPMMSFBBY-KMFMINBZSA-N 0 3 368.930 3.463 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000998005374 765091005 /nfs/dbraw/zinc/09/10/05/765091005.db2.gz ADCBKUXARAXZFQ-PFDRHULKSA-N 0 3 354.922 3.423 20 30 FGEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001006256885 765524487 /nfs/dbraw/zinc/52/44/87/765524487.db2.gz XWOASQOVDHLKLO-LSDHHAIUSA-N 0 3 352.400 3.316 20 30 FGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC001016671206 765819505 /nfs/dbraw/zinc/81/95/05/765819505.db2.gz VEZJMCNTAGFLRD-BZUAXINKSA-N 0 3 356.432 3.349 20 30 FGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001022939191 766033795 /nfs/dbraw/zinc/03/37/95/766033795.db2.gz XQOYUVBSDBOQHN-QNWHQSFQSA-N 0 3 358.791 3.197 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1c(C)cccc1Cl ZINC001035057563 766254277 /nfs/dbraw/zinc/25/42/77/766254277.db2.gz STYWGYOYRNADFC-MDZRGWNJSA-N 0 3 362.901 3.320 20 30 FGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)CC2 ZINC001035733412 766265510 /nfs/dbraw/zinc/26/55/10/766265510.db2.gz BOMZQPWZNCWNMW-HZPDHXFCSA-N 0 3 354.416 3.079 20 30 FGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001039394301 766295766 /nfs/dbraw/zinc/29/57/66/766295766.db2.gz QYBUZYQCTVTSCH-TWMKSMIVSA-N 0 3 356.432 3.444 20 30 FGEDHN C=C(Br)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)C2 ZINC001048574431 766721834 /nfs/dbraw/zinc/72/18/34/766721834.db2.gz YBJVUTHTYMKTBG-PYIOCPRISA-N 0 3 367.331 3.300 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000053283855 257347039 /nfs/dbraw/zinc/34/70/39/257347039.db2.gz CSXXNZPELHTKMI-UHFFFAOYSA-N 0 3 360.461 3.215 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1cccc(Br)c1 ZINC000092794516 494750944 /nfs/dbraw/zinc/75/09/44/494750944.db2.gz AWUHEBSNUDKZJE-INIZCTEOSA-N 0 3 364.287 3.348 20 30 FGEDHN C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CCN(C2CC2)C1 ZINC000576767591 505589888 /nfs/dbraw/zinc/58/98/88/505589888.db2.gz NXJTWTQEIRIFCE-NSHDSACASA-N 0 3 352.251 3.380 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567987023 505590466 /nfs/dbraw/zinc/59/04/66/505590466.db2.gz MTZMBWJPWNVZNM-UHFFFAOYSA-N 0 3 352.438 3.467 20 30 FGEDHN CN(C)CCN(Cc1cnc2ccc(Cl)cn12)Cc1ccc(C#N)cc1 ZINC000570858596 505596936 /nfs/dbraw/zinc/59/69/36/505596936.db2.gz ZRKUVMDMYOYCFV-UHFFFAOYSA-N 0 3 367.884 3.423 20 30 FGEDHN C[C@@]1(NC(=O)NCc2ccc(CC#N)cc2)CCN(Cc2ccccc2)C1 ZINC000576997535 505641681 /nfs/dbraw/zinc/64/16/81/505641681.db2.gz VHLSCHRLLZHLAZ-JOCHJYFZSA-N 0 3 362.477 3.216 20 30 FGEDHN C=CCCCCCNC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000568252377 505652280 /nfs/dbraw/zinc/65/22/80/505652280.db2.gz QEWRBIVWCFOYMZ-SFHVURJKSA-N 0 3 371.525 3.191 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC000573924042 505652548 /nfs/dbraw/zinc/65/25/48/505652548.db2.gz PUBNHOXGCGEQAS-FQEVSTJZSA-N 0 3 371.431 3.256 20 30 FGEDHN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H](N)CCCC#N ZINC000602562507 507749611 /nfs/dbraw/zinc/74/96/11/507749611.db2.gz TUPRIHHLYWTPPN-INWMFGNUSA-N 0 3 364.287 3.175 20 30 FGEDHN C[C@@H](Cc1cccc(F)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310026 493794641 /nfs/dbraw/zinc/79/46/41/493794641.db2.gz MTVIRZZGLCLONG-KRWDZBQOSA-N 0 3 367.468 3.466 20 30 FGEDHN Cc1ccccc1CN1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000028882365 493805126 /nfs/dbraw/zinc/80/51/26/493805126.db2.gz BDYPIDSWKJZEPV-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000029754969 493855743 /nfs/dbraw/zinc/85/57/43/493855743.db2.gz DXLLDOUWMHOBCS-FXAWDEMLSA-N 0 3 363.461 3.279 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000068884398 493888434 /nfs/dbraw/zinc/88/84/34/493888434.db2.gz CIOBWJMXENGUQX-MSOLQXFVSA-N 0 3 354.498 3.376 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000050090917 493896419 /nfs/dbraw/zinc/89/64/19/493896419.db2.gz YKMDZGWBAGGVAP-UHFFFAOYSA-N 0 3 356.470 3.297 20 30 FGEDHN COc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000068991251 493903258 /nfs/dbraw/zinc/90/32/58/493903258.db2.gz VRQIQMCPZALMCQ-QGZVFWFLSA-N 0 3 369.440 3.473 20 30 FGEDHN COc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC)c1 ZINC000068991191 493903628 /nfs/dbraw/zinc/90/36/28/493903628.db2.gz MXCJPSXZCLOXOW-QGZVFWFLSA-N 0 3 369.440 3.473 20 30 FGEDHN CN1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C2(CCCCC2)C1 ZINC000081597622 493925508 /nfs/dbraw/zinc/92/55/08/493925508.db2.gz ZELRSKRZBKWKRT-UHFFFAOYSA-N 0 3 360.889 3.100 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000077381826 494071856 /nfs/dbraw/zinc/07/18/56/494071856.db2.gz WCDBAZYOIFMCHP-SFHVURJKSA-N 0 3 363.417 3.453 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000071813903 494102536 /nfs/dbraw/zinc/10/25/36/494102536.db2.gz QZCLMIQSHXOZHO-FQEVSTJZSA-N 0 3 351.450 3.380 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc(C#N)c1 ZINC000077546893 494111124 /nfs/dbraw/zinc/11/11/24/494111124.db2.gz UNCIKJHRRBXPRV-GOSISDBHSA-N 0 3 362.477 3.364 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(N(C)C(C)=O)c1)C(C)C ZINC000072590809 494211781 /nfs/dbraw/zinc/21/17/81/494211781.db2.gz FXALINXKZJQBSD-HXUWFJFHSA-N 0 3 372.513 3.489 20 30 FGEDHN C[C@H](Cc1ccccc1F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000078121378 494236804 /nfs/dbraw/zinc/23/68/04/494236804.db2.gz JGKQDHDSMDKRHT-QGZVFWFLSA-N 0 3 367.468 3.466 20 30 FGEDHN CCCc1nc(C)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000065930499 494257005 /nfs/dbraw/zinc/25/70/05/494257005.db2.gz AYYBJAQRTMBAIW-UHFFFAOYSA-N 0 3 370.522 3.480 20 30 FGEDHN C[C@H](Cc1cccc(F)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930318 494257040 /nfs/dbraw/zinc/25/70/40/494257040.db2.gz MTVIRZZGLCLONG-QGZVFWFLSA-N 0 3 367.468 3.466 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000065962871 494262461 /nfs/dbraw/zinc/26/24/61/494262461.db2.gz FTWWMHUIMGRSQQ-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000066164204 494281809 /nfs/dbraw/zinc/28/18/09/494281809.db2.gz SKEAYEZBFPALQT-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000043479685 494299071 /nfs/dbraw/zinc/29/90/71/494299071.db2.gz JSCRWCLASULSMG-UHFFFAOYSA-N 0 3 350.466 3.140 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(C(=O)N(C)C)cc1)C(C)C ZINC000043486775 494299836 /nfs/dbraw/zinc/29/98/36/494299836.db2.gz BTEQGNJREGFSJS-IBGZPJMESA-N 0 3 372.513 3.209 20 30 FGEDHN CCN1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000055165836 494308876 /nfs/dbraw/zinc/30/88/76/494308876.db2.gz QCGYZTFSNJZDQT-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN N#Cc1ccccc1COc1cccc(C(=O)NCCN2CCCCC2)c1 ZINC000055254830 494319143 /nfs/dbraw/zinc/31/91/43/494319143.db2.gz PWESXSGYLBHBHD-UHFFFAOYSA-N 0 3 363.461 3.353 20 30 FGEDHN COc1ccc(CN(Cc2cnc3c(C#N)cnn3c2)[C@H](C)C2CC2)cc1 ZINC000577373848 505715743 /nfs/dbraw/zinc/71/57/43/505715743.db2.gz VCKYKBTVSWMTNL-OAHLLOKOSA-N 0 3 361.449 3.410 20 30 FGEDHN Cc1nc(NC(=O)C2Oc3ccccc3O[C@H]2C)sc1SCC#N ZINC000044789988 494381634 /nfs/dbraw/zinc/38/16/34/494381634.db2.gz NYMKNEOMBBQYKM-GWCFXTLKSA-N 0 3 361.448 3.234 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(-c2nnc(C)o2)c1)C(C)C ZINC000073640523 494405912 /nfs/dbraw/zinc/40/59/12/494405912.db2.gz RWSMDEUUNNBWIS-LJQANCHMSA-N 0 3 368.481 3.473 20 30 FGEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000066946664 494444197 /nfs/dbraw/zinc/44/41/97/494444197.db2.gz AIPRJECFJRGIEU-KRWDZBQOSA-N 0 3 367.449 3.287 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1 ZINC000067163157 494487585 /nfs/dbraw/zinc/48/75/85/494487585.db2.gz SMVRADHWMGCIDG-UHFFFAOYSA-N 0 3 374.444 3.338 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccnc1N1CCCC1)C(C)C ZINC000046049280 494490006 /nfs/dbraw/zinc/49/00/06/494490006.db2.gz YTUADJNFOAWOIU-LJQANCHMSA-N 0 3 356.514 3.110 20 30 FGEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccccc1Oc1ccccc1 ZINC000571396640 505723843 /nfs/dbraw/zinc/72/38/43/505723843.db2.gz JAVQEMTUGSMOQC-QZTJIDSGSA-N 0 3 353.466 3.336 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)Cc2c(F)cccc2C#N)N(C)C)cc1 ZINC000574233187 505726528 /nfs/dbraw/zinc/72/65/28/505726528.db2.gz FXAVPSUJHOLUOH-LJQANCHMSA-N 0 3 371.481 3.381 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000022850317 494538171 /nfs/dbraw/zinc/53/81/71/494538171.db2.gz DXUWRJRFQCFYCC-UHFFFAOYSA-N 0 3 360.461 3.017 20 30 FGEDHN COC(=O)[C@H](C)[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000079922359 494550055 /nfs/dbraw/zinc/55/00/55/494550055.db2.gz IRHKPKODZPKZTQ-FOIQADDNSA-N 0 3 365.433 3.027 20 30 FGEDHN CCOC(=O)CC[C@H](O)CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000580304790 505728736 /nfs/dbraw/zinc/72/87/36/505728736.db2.gz YFLCDZBOGCQPSJ-IBGZPJMESA-N 0 3 352.434 3.019 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000046824759 494570923 /nfs/dbraw/zinc/57/09/23/494570923.db2.gz VTELLVVDNPTVDZ-SJORKVTESA-N 0 3 373.497 3.105 20 30 FGEDHN CN(CCN1CCCC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247701 494573106 /nfs/dbraw/zinc/57/31/06/494573106.db2.gz DXESCQDGVFLIDH-UHFFFAOYSA-N 0 3 362.477 3.462 20 30 FGEDHN CCN1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091248120 494573586 /nfs/dbraw/zinc/57/35/86/494573586.db2.gz BLIDMZKBECTCKK-UHFFFAOYSA-N 0 3 362.477 3.462 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000056891129 494585841 /nfs/dbraw/zinc/58/58/41/494585841.db2.gz GRKJYFLZTBTECT-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000067705107 494616907 /nfs/dbraw/zinc/61/69/07/494616907.db2.gz QANMXCZIHVIHPX-HXUWFJFHSA-N 0 3 350.466 3.311 20 30 FGEDHN CCOC(=O)[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092456442 494632122 /nfs/dbraw/zinc/63/21/22/494632122.db2.gz OILJTDMLQBYBRN-SFHVURJKSA-N 0 3 366.465 3.239 20 30 FGEDHN N#Cc1ccc([C@H](S[C@H]2CCCN(Cc3ccccc3)C2)C(N)=O)cc1 ZINC000580326344 505733483 /nfs/dbraw/zinc/73/34/83/505733483.db2.gz OMIUKMDIBNAATF-PMACEKPBSA-N 0 3 365.502 3.482 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000108365781 494690025 /nfs/dbraw/zinc/69/00/25/494690025.db2.gz CSJPCXITENRSMM-SJORKVTESA-N 0 3 372.538 3.189 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000108365785 494690168 /nfs/dbraw/zinc/69/01/68/494690168.db2.gz PYLJRPWMFJGENS-SJORKVTESA-N 0 3 372.538 3.047 20 30 FGEDHN C#CCOc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000091949432 494729845 /nfs/dbraw/zinc/72/98/45/494729845.db2.gz ASNDINOEMMLBTC-GOSISDBHSA-N 0 3 354.494 3.169 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000577501931 505741102 /nfs/dbraw/zinc/74/11/02/505741102.db2.gz DHLFFZXUEWGSIV-IQGLISFBSA-N 0 3 361.511 3.228 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000047948327 494798862 /nfs/dbraw/zinc/79/88/62/494798862.db2.gz LYYAOHXRBTWRFW-FQEVSTJZSA-N 0 3 350.466 3.441 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000121693220 494839383 /nfs/dbraw/zinc/83/93/83/494839383.db2.gz LNBVCIXJXIJBHZ-CALCHBBNSA-N 0 3 359.489 3.409 20 30 FGEDHN CC(C)(C)CN(CCC#N)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000116753126 494847844 /nfs/dbraw/zinc/84/78/44/494847844.db2.gz QFMUWTCPWSIMGP-UHFFFAOYSA-N 0 3 370.541 3.377 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)c1ccccc1OCC#N)c1ccccc1 ZINC000109276243 494853258 /nfs/dbraw/zinc/85/32/58/494853258.db2.gz QLKPQHOMMFBKOK-MRXNPFEDSA-N 0 3 351.450 3.448 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1Cl ZINC000116816766 494856853 /nfs/dbraw/zinc/85/68/53/494856853.db2.gz KVTXPKZOKLSCKJ-UHFFFAOYSA-N 0 3 372.856 3.203 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C2CCCC2)n1 ZINC000132371951 494864466 /nfs/dbraw/zinc/86/44/66/494864466.db2.gz PTLGBASFNODCRF-UHFFFAOYSA-N 0 3 365.481 3.074 20 30 FGEDHN COc1ccc(CN2CCN(C3CCCC3)CC2)cc1OCCCC#N ZINC000126980758 494873083 /nfs/dbraw/zinc/87/30/83/494873083.db2.gz CPJJETWQSCUEOU-UHFFFAOYSA-N 0 3 357.498 3.438 20 30 FGEDHN CS[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000117509130 494927491 /nfs/dbraw/zinc/92/74/91/494927491.db2.gz HCGIAXUGORRDSV-RBUKOAKNSA-N 0 3 374.554 3.306 20 30 FGEDHN C=C(C)COCCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000127380619 494936664 /nfs/dbraw/zinc/93/66/64/494936664.db2.gz SJGNPYUOHMKVTC-UHFFFAOYSA-N 0 3 361.486 3.266 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCOC2(CCCC2)C1)C(C)C ZINC000133053198 494961723 /nfs/dbraw/zinc/96/17/23/494961723.db2.gz PGKKDAPPHPYYRY-RTBURBONSA-N 0 3 363.546 3.476 20 30 FGEDHN COC(=O)C1CCN(CCCNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000577561485 505752184 /nfs/dbraw/zinc/75/21/84/505752184.db2.gz QTZSOBFDHPUVTQ-UHFFFAOYSA-N 0 3 369.387 3.264 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000122469619 494980761 /nfs/dbraw/zinc/98/07/61/494980761.db2.gz APBSNEINPOBJCL-UHFFFAOYSA-N 0 3 355.482 3.204 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110556088 494988497 /nfs/dbraw/zinc/98/84/97/494988497.db2.gz DTMDZHBJLHMNCD-CQSZACIVSA-N 0 3 352.400 3.098 20 30 FGEDHN COc1c(C)cc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1C ZINC000101734070 495094222 /nfs/dbraw/zinc/09/42/22/495094222.db2.gz GYSCCLWMBKSMML-FQEVSTJZSA-N 0 3 368.477 3.250 20 30 FGEDHN C[C@](C#N)(NC(=O)CN(CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000123474164 495138526 /nfs/dbraw/zinc/13/85/26/495138526.db2.gz KMANXQLNAYGYMH-OAQYLSRUSA-N 0 3 357.473 3.421 20 30 FGEDHN CCC(=O)N1CC[C@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000134524078 495163289 /nfs/dbraw/zinc/16/32/89/495163289.db2.gz ZKVFWEWJFBDAED-FQEVSTJZSA-N 0 3 363.461 3.238 20 30 FGEDHN CCC(=O)N1CC[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000134524103 495163311 /nfs/dbraw/zinc/16/33/11/495163311.db2.gz ZKVFWEWJFBDAED-HXUWFJFHSA-N 0 3 363.461 3.238 20 30 FGEDHN N#Cc1ccc2ncc(CNCCOc3ccccc3C(F)(F)F)n2c1 ZINC000123676346 495169901 /nfs/dbraw/zinc/16/99/01/495169901.db2.gz XVNRUTWXJCFXRR-UHFFFAOYSA-N 0 3 360.339 3.393 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000129272192 495221125 /nfs/dbraw/zinc/22/11/25/495221125.db2.gz RXLWYAZKKBOQGE-UHFFFAOYSA-N 0 3 363.461 3.323 20 30 FGEDHN CSC[C@H](CCO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000124171834 495245405 /nfs/dbraw/zinc/24/54/05/495245405.db2.gz QKICNHHIULQXHE-IBGZPJMESA-N 0 3 356.491 3.341 20 30 FGEDHN COc1ccc(CNC[C@H](O)c2ccc(F)cc2)cc1OCCCC#N ZINC000119993911 495283915 /nfs/dbraw/zinc/28/39/15/495283915.db2.gz UAUMUYNQCDFCLP-SFHVURJKSA-N 0 3 358.413 3.340 20 30 FGEDHN Cc1nccn1CCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120149013 495316025 /nfs/dbraw/zinc/31/60/25/495316025.db2.gz YCKJBJGVLCDDSM-UHFFFAOYSA-N 0 3 374.492 3.214 20 30 FGEDHN C=CCC[C@H](O)CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000124806816 495346556 /nfs/dbraw/zinc/34/65/56/495346556.db2.gz TWTGXMWHEMCWEK-KRWDZBQOSA-N 0 3 351.878 3.207 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccnc(OCC(F)F)c1 ZINC000136102866 495356949 /nfs/dbraw/zinc/35/69/49/495356949.db2.gz GOBQVPCPEWCYEN-GFCCVEGCSA-N 0 3 356.332 3.102 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(OC)c(Cl)c2)CC1 ZINC000106037380 495405626 /nfs/dbraw/zinc/40/56/26/495405626.db2.gz MODPDGWOFIBZOI-UHFFFAOYSA-N 0 3 350.890 3.438 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000106036191 495405834 /nfs/dbraw/zinc/40/58/34/495405834.db2.gz RSSJBSYKBRQLNR-UHFFFAOYSA-N 0 3 356.388 3.284 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000106034914 495406018 /nfs/dbraw/zinc/40/60/18/495406018.db2.gz AGKBTAQHBMQUJY-HXUWFJFHSA-N 0 3 355.482 3.118 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)cc2Br)CC1 ZINC000106039044 495406536 /nfs/dbraw/zinc/40/65/36/495406536.db2.gz MGANBURSMKZDMP-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OCc3cscn3)c2)CC1 ZINC000106038189 495407143 /nfs/dbraw/zinc/40/71/43/495407143.db2.gz NGSXSMCJIFCDEW-UHFFFAOYSA-N 0 3 371.506 3.492 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2ccc3c(c2)OCCO3)CC1 ZINC000106275198 495442094 /nfs/dbraw/zinc/44/20/94/495442094.db2.gz IOGZNDHAOOHTAW-GOSISDBHSA-N 0 3 373.497 3.249 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C[C@H](C)O)cc1OCC ZINC000130822770 495450989 /nfs/dbraw/zinc/45/09/89/495450989.db2.gz YNTALEHZAGNDMX-LBPRGKRZSA-N 0 3 358.276 3.225 20 30 FGEDHN N#Cc1cccc(OCc2cccc(C(=O)NCCN3CCCCC3)c2)c1 ZINC000115333886 495491815 /nfs/dbraw/zinc/49/18/15/495491815.db2.gz CRVVHUGCWQXHRQ-UHFFFAOYSA-N 0 3 363.461 3.353 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000115435638 495503916 /nfs/dbraw/zinc/50/39/16/495503916.db2.gz PVJIRXQIKCTUGB-INIZCTEOSA-N 0 3 367.449 3.144 20 30 FGEDHN Cc1sc(NC(=O)CN2CCN(C3CCCCC3)CC2)c(C#N)c1C ZINC000141843811 495511021 /nfs/dbraw/zinc/51/10/21/495511021.db2.gz OUFQWPZJTQYIIA-UHFFFAOYSA-N 0 3 360.527 3.125 20 30 FGEDHN C[C@H]1CCN(C(=O)c2ccccc2OCC#N)CCN1Cc1ccccc1 ZINC000173510715 495565402 /nfs/dbraw/zinc/56/54/02/495565402.db2.gz PFMVSNCKVWMYHR-SFHVURJKSA-N 0 3 363.461 3.326 20 30 FGEDHN CN(C[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785723 505792040 /nfs/dbraw/zinc/79/20/40/505792040.db2.gz ZNPIEVSOVUHHKP-JOCHJYFZSA-N 0 3 367.468 3.155 20 30 FGEDHN N#Cc1cc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1F ZINC000577791092 505792770 /nfs/dbraw/zinc/79/27/70/505792770.db2.gz RBCWAEFLUYLCGN-GOSISDBHSA-N 0 3 352.413 3.483 20 30 FGEDHN CCN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159117643 495662580 /nfs/dbraw/zinc/66/25/80/495662580.db2.gz KEMQRVSIHCERGS-NRFANRHFSA-N 0 3 362.477 3.364 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000179666684 495684422 /nfs/dbraw/zinc/68/44/22/495684422.db2.gz QYNXGEXCARYVQN-HXUWFJFHSA-N 0 3 368.456 3.260 20 30 FGEDHN COc1ccccc1[C@@H](CNCc1cnc2ccc(C#N)cn12)OC(C)C ZINC000185721712 495697625 /nfs/dbraw/zinc/69/76/25/495697625.db2.gz IDMIARQHHDUYFV-HXUWFJFHSA-N 0 3 364.449 3.470 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC2(CCOCc3ccccc3)CC2)CC1 ZINC000185734897 495701914 /nfs/dbraw/zinc/70/19/14/495701914.db2.gz KMFOMBJMZCQHPV-UHFFFAOYSA-N 0 3 371.525 3.323 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000179740707 495713523 /nfs/dbraw/zinc/71/35/23/495713523.db2.gz XHSWSWLDCKFVMP-SFHVURJKSA-N 0 3 372.513 3.383 20 30 FGEDHN C#CCC(C)(C)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000185775473 495721863 /nfs/dbraw/zinc/72/18/63/495721863.db2.gz RPEZZBWCADAPKW-UHFFFAOYSA-N 0 3 356.510 3.223 20 30 FGEDHN COC(=O)[C@@H](NC1CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000176707796 495756160 /nfs/dbraw/zinc/75/61/60/495756160.db2.gz JBLCFUJJWRMRRU-NRFANRHFSA-N 0 3 363.461 3.027 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000155198049 495872980 /nfs/dbraw/zinc/87/29/80/495872980.db2.gz WIRARSAFHXGDQJ-KRWDZBQOSA-N 0 3 362.477 3.228 20 30 FGEDHN N#Cc1ncn(CCN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000577878158 505810511 /nfs/dbraw/zinc/81/05/11/505810511.db2.gz PAPRWDXPRBPPQK-SFHVURJKSA-N 0 3 351.841 3.377 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)NCc1ccc(C#N)cc1 ZINC000160254198 495919953 /nfs/dbraw/zinc/91/99/53/495919953.db2.gz NXPWCCXAGUYCAQ-UHFFFAOYSA-N 0 3 363.465 3.011 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)CC1 ZINC000171637574 495959522 /nfs/dbraw/zinc/95/95/22/495959522.db2.gz DJUCIGOLQCCFGX-UHFFFAOYSA-N 0 3 372.513 3.153 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000571785591 505815048 /nfs/dbraw/zinc/81/50/48/505815048.db2.gz WUBYMOYXROPPDT-KKSFZXQISA-N 0 3 365.452 3.267 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414693 495987424 /nfs/dbraw/zinc/98/74/24/495987424.db2.gz QBHQDXFTDWCPEY-DNVCBOLYSA-N 0 3 356.422 3.414 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151917496 495991849 /nfs/dbraw/zinc/99/18/49/495991849.db2.gz JQEQJNYBKMBDFI-QZTJIDSGSA-N 0 3 353.422 3.068 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCCSc2ccc(F)cc2)CC1 ZINC000171697221 495992864 /nfs/dbraw/zinc/99/28/64/495992864.db2.gz UMYINDTZYBWSSR-UHFFFAOYSA-N 0 3 351.491 3.258 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000171712269 496000791 /nfs/dbraw/zinc/00/07/91/496000791.db2.gz MVWZFCDVMOTPSI-OAHLLOKOSA-N 0 3 361.486 3.023 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000171711193 496001046 /nfs/dbraw/zinc/00/10/46/496001046.db2.gz ICYIDGNWYKRATI-GOSISDBHSA-N 0 3 364.559 3.081 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000171715094 496003609 /nfs/dbraw/zinc/00/36/09/496003609.db2.gz JUPSIFSTBLCIEY-UHFFFAOYSA-N 0 3 369.509 3.285 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000171718558 496004320 /nfs/dbraw/zinc/00/43/20/496004320.db2.gz OAWQDRZBNBNLSR-UHFFFAOYSA-N 0 3 351.859 3.437 20 30 FGEDHN N#Cc1ccc(OCCNCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000174557883 496008247 /nfs/dbraw/zinc/00/82/47/496008247.db2.gz VACDQYYRUXEQCL-OAQYLSRUSA-N 0 3 352.434 3.285 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC2(c3ccccc3)CCCC2)cc1 ZINC000183537711 496022854 /nfs/dbraw/zinc/02/28/54/496022854.db2.gz PXCOELFOPIHOFH-UHFFFAOYSA-N 0 3 354.475 3.391 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000177361165 496031123 /nfs/dbraw/zinc/03/11/23/496031123.db2.gz GRXXCVNDROIILM-UHFFFAOYSA-N 0 3 370.884 3.288 20 30 FGEDHN COc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1NC(C)=O ZINC000180555131 496043128 /nfs/dbraw/zinc/04/31/28/496043128.db2.gz JANZWUXEDDYNBW-AWEZNQCLSA-N 0 3 353.422 3.407 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155728443 496048648 /nfs/dbraw/zinc/04/86/48/496048648.db2.gz KBJWVHTWPXRHNL-UHFFFAOYSA-N 0 3 364.405 3.460 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000183669329 496070462 /nfs/dbraw/zinc/07/04/62/496070462.db2.gz ISWMXIBSKZTART-YOEHRIQHSA-N 0 3 363.527 3.264 20 30 FGEDHN CN(CCCOc1ccc(S(C)(=O)=O)cc1)CCCC(C)(C)C#N ZINC000174834009 496125318 /nfs/dbraw/zinc/12/53/18/496125318.db2.gz JSTDIJLCZRPQMT-UHFFFAOYSA-N 0 3 352.500 3.121 20 30 FGEDHN N#CCCN(C(=O)CN(CCO)C1CCCCC1)c1cccc(Cl)c1 ZINC000156042342 496142089 /nfs/dbraw/zinc/14/20/89/496142089.db2.gz JLISMZBSYUQDSQ-UHFFFAOYSA-N 0 3 363.889 3.214 20 30 FGEDHN CCOc1ccc(OC[C@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000577948377 505826025 /nfs/dbraw/zinc/82/60/25/505826025.db2.gz ZHBHITFPIZRNQC-XMSQKQJNSA-N 0 3 366.461 3.364 20 30 FGEDHN N#Cc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1C(F)(F)F ZINC000156080292 496152125 /nfs/dbraw/zinc/15/21/25/496152125.db2.gz VTPNVKICFYELBT-UHFFFAOYSA-N 0 3 364.371 3.445 20 30 FGEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174908573 496160653 /nfs/dbraw/zinc/16/06/53/496160653.db2.gz VYSUGZDTRKTILI-GOSISDBHSA-N 0 3 358.486 3.062 20 30 FGEDHN CS[C@@H](CO)[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000152502660 496171238 /nfs/dbraw/zinc/17/12/38/496171238.db2.gz MXQOWGZHLDYXQW-YWZLYKJASA-N 0 3 356.491 3.339 20 30 FGEDHN CS[C@H](CO)[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000152502577 496171357 /nfs/dbraw/zinc/17/13/57/496171357.db2.gz MXQOWGZHLDYXQW-FOIQADDNSA-N 0 3 356.491 3.339 20 30 FGEDHN Cc1noc(C)c1C(=O)C(C(=S)[N-][C@@H]1C[C@H]2CC[C@@H]1C2)[n+]1ccccc1 ZINC000186962008 496231307 /nfs/dbraw/zinc/23/13/07/496231307.db2.gz VTYFOZLLPKABMH-ARFHVFGLSA-O 0 3 370.498 3.296 20 30 FGEDHN CCCCn1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1 ZINC000184091995 496233861 /nfs/dbraw/zinc/23/38/61/496233861.db2.gz KIKYOLCDZCCBCJ-UHFFFAOYSA-N 0 3 367.497 3.067 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000172288107 496241233 /nfs/dbraw/zinc/24/12/33/496241233.db2.gz QLXBGUGPRVUZIT-FQEVSTJZSA-N 0 3 356.514 3.250 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(O)c(OC)c1 ZINC000152968650 496311014 /nfs/dbraw/zinc/31/10/14/496311014.db2.gz IVBVJSHUZXLXBC-SFHVURJKSA-N 0 3 357.450 3.001 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181215794 496315730 /nfs/dbraw/zinc/31/57/30/496315730.db2.gz ZMNRRLFYCRQCOV-WMLDXEAASA-N 0 3 355.463 3.316 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3ccncc3)C2)c(OC)c1 ZINC000580783814 505837964 /nfs/dbraw/zinc/83/79/64/505837964.db2.gz WJWZCNNMKLQQRX-WOJBJXKFSA-N 0 3 368.477 3.048 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H](C)c2cccc(O)c2)c(OC)c1 ZINC000181498149 496420785 /nfs/dbraw/zinc/42/07/85/496420785.db2.gz WXAOMQWSUXJLNH-HNAYVOBHSA-N 0 3 357.450 3.220 20 30 FGEDHN N#Cc1cccc(CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000578031802 505845723 /nfs/dbraw/zinc/84/57/23/505845723.db2.gz COHVECRSPQWVTN-HXUWFJFHSA-N 0 3 365.452 3.268 20 30 FGEDHN C[C@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000181788139 496545082 /nfs/dbraw/zinc/54/50/82/496545082.db2.gz ZAUNTIIMWSUPAZ-SJCJKPOMSA-N 0 3 358.825 3.367 20 30 FGEDHN CC(C)Cn1ccnc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181809729 496554492 /nfs/dbraw/zinc/55/44/92/496554492.db2.gz UFXHCELWDWGBSL-UHFFFAOYSA-N 0 3 351.498 3.165 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000157943868 496592214 /nfs/dbraw/zinc/59/22/14/496592214.db2.gz WLRNMRNWGCRXPK-CQSZACIVSA-N 0 3 353.470 3.498 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000158125134 496632560 /nfs/dbraw/zinc/63/25/60/496632560.db2.gz AOIGDBMWHMDNBF-HXUWFJFHSA-N 0 3 366.461 3.318 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(O)cc1Cl ZINC000182116616 496676122 /nfs/dbraw/zinc/67/61/22/496676122.db2.gz RFUMBVLSCSMPNK-UHFFFAOYSA-N 0 3 371.868 3.050 20 30 FGEDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc(C#N)c1 ZINC000188091128 496678458 /nfs/dbraw/zinc/67/84/58/496678458.db2.gz BXDZBBVTEPVYLE-INIZCTEOSA-N 0 3 369.490 3.291 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000167248928 496698511 /nfs/dbraw/zinc/69/85/11/496698511.db2.gz WGDDKOCCUFXGBR-GOSISDBHSA-N 0 3 371.525 3.455 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000188368243 496765514 /nfs/dbraw/zinc/76/55/14/496765514.db2.gz LRPMQCVUDBVOFL-JOCHJYFZSA-N 0 3 371.525 3.386 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000264002041 496785156 /nfs/dbraw/zinc/78/51/56/496785156.db2.gz AXOZKEFNJJWYRO-UHFFFAOYSA-N 0 3 369.494 3.142 20 30 FGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000188455052 496796228 /nfs/dbraw/zinc/79/62/28/496796228.db2.gz JMKOEKZZOBRODT-HXUWFJFHSA-N 0 3 358.486 3.443 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@@](C)(NCc1ccc(OCC#N)cc1)C1CC1 ZINC000268901134 496818665 /nfs/dbraw/zinc/81/86/65/496818665.db2.gz TYYIQBSJXJQIGQ-HXUWFJFHSA-N 0 3 359.470 3.372 20 30 FGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000273686499 496874615 /nfs/dbraw/zinc/87/46/15/496874615.db2.gz ZLGDTRVNTWWFPF-LJQANCHMSA-N 0 3 360.502 3.385 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2ccc(Br)s2)CC1 ZINC000264399643 496892239 /nfs/dbraw/zinc/89/22/39/496892239.db2.gz LXZHYNRJSJWKJV-UHFFFAOYSA-N 0 3 372.332 3.003 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000192152814 497014297 /nfs/dbraw/zinc/01/42/97/497014297.db2.gz SOUVBPPARFXXJW-PKOBYXMFSA-N 0 3 357.816 3.412 20 30 FGEDHN N#CCc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000270344997 497107056 /nfs/dbraw/zinc/10/70/56/497107056.db2.gz GBQWPPNNNVIJKE-UHFFFAOYSA-N 0 3 363.461 3.209 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000248885383 497125890 /nfs/dbraw/zinc/12/58/90/497125890.db2.gz LZSIXFCGHCMUOS-IPYPFGDCSA-N 0 3 351.372 3.483 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2csc(Nc3ccccn3)n2)CC1 ZINC000265700596 497163402 /nfs/dbraw/zinc/16/34/02/497163402.db2.gz YPQZPRHIOJGMAV-UHFFFAOYSA-N 0 3 357.483 3.052 20 30 FGEDHN COc1cccc(CN(CCN(C)C)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000189628270 497187050 /nfs/dbraw/zinc/18/70/50/497187050.db2.gz GUCPPRSOYWEILL-UHFFFAOYSA-N 0 3 354.410 3.043 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H](CCCO)c3ccccc3)C2=O)cc1 ZINC000192737295 497199938 /nfs/dbraw/zinc/19/99/38/497199938.db2.gz JNBAMIRIBSWATG-SFTDATJTSA-N 0 3 363.461 3.157 20 30 FGEDHN C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000192756627 497205925 /nfs/dbraw/zinc/20/59/25/497205925.db2.gz VBGQJLULDBUEMK-WBQJQJEBSA-N 0 3 355.482 3.108 20 30 FGEDHN C[C@@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000192759372 497206866 /nfs/dbraw/zinc/20/68/66/497206866.db2.gz FGJVKJSOBFKQJV-HBFSDRIKSA-N 0 3 369.509 3.475 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)C1CC1 ZINC000274966556 497208259 /nfs/dbraw/zinc/20/82/59/497208259.db2.gz UYALLHHCEBCZQJ-IBGZPJMESA-N 0 3 354.498 3.232 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OCCCC#N ZINC000271275059 497309763 /nfs/dbraw/zinc/30/97/63/497309763.db2.gz KPYAFRVEQPEQBW-KRWDZBQOSA-N 0 3 369.469 3.184 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OCCCC#N ZINC000271275059 497309765 /nfs/dbraw/zinc/30/97/65/497309765.db2.gz KPYAFRVEQPEQBW-KRWDZBQOSA-N 0 3 369.469 3.184 20 30 FGEDHN CCc1cccc2c1OCC[C@@H]2NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279261025 497385702 /nfs/dbraw/zinc/38/57/02/497385702.db2.gz IDHBXAWCZCSMBZ-ICSRJNTNSA-N 0 3 359.429 3.443 20 30 FGEDHN Cc1c(NC(=O)CCN[C@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000271693332 497420478 /nfs/dbraw/zinc/42/04/78/497420478.db2.gz RYIJFXDDICWKEH-CQSZACIVSA-N 0 3 352.394 3.454 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271761892 497441480 /nfs/dbraw/zinc/44/14/80/497441480.db2.gz HYNQIBVARSMOFH-UHFFFAOYSA-N 0 3 364.405 3.382 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccccc2F)CC1 ZINC000271802264 497455422 /nfs/dbraw/zinc/45/54/22/497455422.db2.gz KXSYSMUULPGWGJ-HNAYVOBHSA-N 0 3 363.477 3.241 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccn2C)c(OC)c1 ZINC000193737125 497463258 /nfs/dbraw/zinc/46/32/58/497463258.db2.gz SRXRUVVZWLYICW-ICSRJNTNSA-N 0 3 370.493 3.339 20 30 FGEDHN N#Cc1cc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000193757797 497470511 /nfs/dbraw/zinc/47/05/11/497470511.db2.gz HMLBSCCHUXREJC-INIZCTEOSA-N 0 3 352.413 3.341 20 30 FGEDHN CC(C)(C)c1nnc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000271907229 497484405 /nfs/dbraw/zinc/48/44/05/497484405.db2.gz XBUCUAUGLLOAFW-UHFFFAOYSA-N 0 3 369.538 3.461 20 30 FGEDHN C=CCN(CCOC)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000190468608 497492763 /nfs/dbraw/zinc/49/27/63/497492763.db2.gz YAYWKODBAACWTD-QGZVFWFLSA-N 0 3 365.543 3.365 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCCc4cc(F)ccc43)C2=O)cc1 ZINC000190625078 497551049 /nfs/dbraw/zinc/55/10/49/497551049.db2.gz DKIBYXMKJUIKKF-SFTDATJTSA-N 0 3 363.436 3.465 20 30 FGEDHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000190683690 497572127 /nfs/dbraw/zinc/57/21/27/497572127.db2.gz NUSGVNHGWHXFFR-GOSISDBHSA-N 0 3 367.415 3.425 20 30 FGEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000279958164 497601648 /nfs/dbraw/zinc/60/16/48/497601648.db2.gz PLTNDOGPRPCZJV-IAGOWNOFSA-N 0 3 357.498 3.107 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC000272425148 497624447 /nfs/dbraw/zinc/62/44/47/497624447.db2.gz DTQWFXFZQRYNHG-PKOBYXMFSA-N 0 3 354.498 3.375 20 30 FGEDHN CCC[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccn1 ZINC000578342223 505918865 /nfs/dbraw/zinc/91/88/65/505918865.db2.gz NVWMYGRRZBOWPZ-HXUWFJFHSA-N 0 3 364.493 3.427 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000272644680 497687897 /nfs/dbraw/zinc/68/78/97/497687897.db2.gz LZSZNNCYETVIMA-NRFANRHFSA-N 0 3 363.461 3.328 20 30 FGEDHN N#Cc1ccncc1N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000581167985 505924961 /nfs/dbraw/zinc/92/49/61/505924961.db2.gz LWPISSCAXPEXTE-UHFFFAOYSA-N 0 3 352.404 3.444 20 30 FGEDHN CN(C)CCOc1ccccc1CNc1nc2c(cc1C#N)CCCC2 ZINC000578379174 505926807 /nfs/dbraw/zinc/92/68/07/505926807.db2.gz BIHKZYPLSGFQJB-UHFFFAOYSA-N 0 3 350.466 3.385 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000280453658 497759265 /nfs/dbraw/zinc/75/92/65/497759265.db2.gz NWLFFEDCLLTEKS-PMACEKPBSA-N 0 3 358.445 3.026 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000246516302 497760171 /nfs/dbraw/zinc/76/01/71/497760171.db2.gz IOQLYZZURZTBFH-QOKNQOGYSA-N 0 3 370.497 3.044 20 30 FGEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268539904 497776703 /nfs/dbraw/zinc/77/67/03/497776703.db2.gz KFMWBAOIFPAULZ-FQEVSTJZSA-N 0 3 373.460 3.315 20 30 FGEDHN C[C@]1(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CCO[C@@H]1C1CC1 ZINC000329559980 497828875 /nfs/dbraw/zinc/82/88/75/497828875.db2.gz MCKKOPNUQUEEBR-SUMDDJOVSA-N 0 3 363.527 3.346 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000284617032 497844417 /nfs/dbraw/zinc/84/44/17/497844417.db2.gz MQEMKHRNPVUVPI-IBGZPJMESA-N 0 3 352.438 3.300 20 30 FGEDHN Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3CCCCN3C[C@@H]2C)c1C ZINC000329678215 497866313 /nfs/dbraw/zinc/86/63/13/497866313.db2.gz WXKKCCYRYSKZLS-DOTOQJQBSA-N 0 3 358.486 3.364 20 30 FGEDHN C[C@H](NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2)C1=CCN(C)CC1 ZINC000329700645 497874974 /nfs/dbraw/zinc/87/49/74/497874974.db2.gz GVBMWHSPRAKIRW-YJBOKZPZSA-N 0 3 371.481 3.159 20 30 FGEDHN Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000329737354 497883906 /nfs/dbraw/zinc/88/39/06/497883906.db2.gz MBUBEDDKPRMBBT-YJBOKZPZSA-N 0 3 356.495 3.280 20 30 FGEDHN Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000329737354 497883913 /nfs/dbraw/zinc/88/39/13/497883913.db2.gz MBUBEDDKPRMBBT-YJBOKZPZSA-N 0 3 356.495 3.280 20 30 FGEDHN CC[C@@H]1C[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)CC(=O)N1 ZINC000329759238 497892548 /nfs/dbraw/zinc/89/25/48/497892548.db2.gz OPIKGIZYYDWSRP-HUUCEWRRSA-N 0 3 353.532 3.450 20 30 FGEDHN COCC[C@@H]1CCCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329812102 497910966 /nfs/dbraw/zinc/91/09/66/497910966.db2.gz CENKWVQOLXRHII-ICSRJNTNSA-N 0 3 355.482 3.192 20 30 FGEDHN COc1ccccc1NC(=O)C1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000329820206 497913694 /nfs/dbraw/zinc/91/36/94/497913694.db2.gz YHNIKWWJJHCHHI-HOTGVXAUSA-N 0 3 373.497 3.395 20 30 FGEDHN Cc1cc(F)cc(-n2cc(C(=O)N[C@H]3CCN(C4CCCC4)C3)nn2)c1 ZINC000329840242 497922183 /nfs/dbraw/zinc/92/21/83/497922183.db2.gz JMYSNBCVHYRRBB-HNNXBMFYSA-N 0 3 357.433 3.036 20 30 FGEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCCOc2cccc(C#N)c2)cc1 ZINC000284880992 497931226 /nfs/dbraw/zinc/93/12/26/497931226.db2.gz VTRIPECPOHEZQS-INIZCTEOSA-N 0 3 372.490 3.472 20 30 FGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000364465680 497971367 /nfs/dbraw/zinc/97/13/67/497971367.db2.gz PMQPGLNQAKCLOP-IFXJQAMLSA-N 0 3 370.522 3.332 20 30 FGEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000285071102 497986382 /nfs/dbraw/zinc/98/63/82/497986382.db2.gz KCOHLAOYYQZHEP-AEFFLSMTSA-N 0 3 366.461 3.255 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000330085541 498016198 /nfs/dbraw/zinc/01/61/98/498016198.db2.gz CXEDLDLSQFZIHD-CXAGYDPISA-N 0 3 359.861 3.097 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1C ZINC000296444372 498045938 /nfs/dbraw/zinc/04/59/38/498045938.db2.gz WRFQLTBKGJQNJI-UIFIKXQLSA-N 0 3 367.493 3.097 20 30 FGEDHN CC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000330173578 498048942 /nfs/dbraw/zinc/04/89/42/498048942.db2.gz HMZKLSFVAYZXRL-VQTJNVASSA-N 0 3 357.498 3.285 20 30 FGEDHN N#Cc1ccc(CNCCC(=O)N2CCCCCC2)c(C(F)(F)F)c1 ZINC000578582160 505972418 /nfs/dbraw/zinc/97/24/18/505972418.db2.gz YJJPQXZRRSTWBL-UHFFFAOYSA-N 0 3 353.388 3.459 20 30 FGEDHN C=CCN1CC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1=O ZINC000281232976 498066268 /nfs/dbraw/zinc/06/62/68/498066268.db2.gz FNAIYQQQRIJKLN-MRXNPFEDSA-N 0 3 368.399 3.088 20 30 FGEDHN CC(C)(CNC(=O)N[C@@H]1CCOC2(CCC2)C1)N1CCc2ccccc2C1 ZINC000330222359 498067278 /nfs/dbraw/zinc/06/72/78/498067278.db2.gz RTHWHTLKJRQLIM-LJQANCHMSA-N 0 3 371.525 3.429 20 30 FGEDHN O=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000330227185 498068625 /nfs/dbraw/zinc/06/86/25/498068625.db2.gz UVGRSLVOPDXNRY-IBGZPJMESA-N 0 3 355.482 3.009 20 30 FGEDHN C[C@]1(C[NH+]=C([O-])N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CCOC1 ZINC000330223942 498069020 /nfs/dbraw/zinc/06/90/20/498069020.db2.gz NJJZSBADDIQBQJ-NLWGTHIKSA-N 0 3 354.454 3.042 20 30 FGEDHN CN1CCC(n2ccc(NC(=O)N[C@@H]3CCc4c3cccc4Cl)n2)CC1 ZINC000330231838 498071328 /nfs/dbraw/zinc/07/13/28/498071328.db2.gz XCAHCPAYKYBOEZ-QGZVFWFLSA-N 0 3 373.888 3.239 20 30 FGEDHN CC[C@]1(CO)CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000330268283 498086977 /nfs/dbraw/zinc/08/69/77/498086977.db2.gz INXYUEVWUZRYMX-VXKWHMMOSA-N 0 3 373.541 3.440 20 30 FGEDHN CCN1CCC[C@@H](CN(C)CC#Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000364708893 498105143 /nfs/dbraw/zinc/10/51/43/498105143.db2.gz UCNSYWYOAYAPRO-SIKLNZKXSA-N 0 3 368.500 3.316 20 30 FGEDHN N#Cc1ccc(OC2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)c(F)c1 ZINC000285558593 498129037 /nfs/dbraw/zinc/12/90/37/498129037.db2.gz SHCARWDNEHHBJZ-PZJWPPBQSA-N 0 3 352.409 3.199 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000296707621 498162273 /nfs/dbraw/zinc/16/22/73/498162273.db2.gz LODCJFKMEBFPSL-IRXDYDNUSA-N 0 3 361.555 3.067 20 30 FGEDHN C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CCN(C2CC2)C1 ZINC000296730019 498172372 /nfs/dbraw/zinc/17/23/72/498172372.db2.gz NXNUBELTXDSSSS-KRWDZBQOSA-N 0 3 364.493 3.154 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)nc1 ZINC000301600760 498181956 /nfs/dbraw/zinc/18/19/56/498181956.db2.gz VCRSMACBVSMBFT-FXAWDEMLSA-N 0 3 364.493 3.320 20 30 FGEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc(OC)c1Br ZINC000330892800 498212631 /nfs/dbraw/zinc/21/26/31/498212631.db2.gz DHRCRWCLKOWGLU-CMPLNLGQSA-N 0 3 371.275 3.254 20 30 FGEDHN N#Cc1cccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000285832694 498213579 /nfs/dbraw/zinc/21/35/79/498213579.db2.gz HGWQOIXRBMWSDI-NJYVYQBISA-N 0 3 361.445 3.001 20 30 FGEDHN Cc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1NC(=O)NC(C)(C)C ZINC000330901635 498213764 /nfs/dbraw/zinc/21/37/64/498213764.db2.gz KRFJWCIRVQKOMX-QAPCUYQASA-N 0 3 374.529 3.341 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000285904460 498237006 /nfs/dbraw/zinc/23/70/06/498237006.db2.gz DARSOFLXLADORJ-SFHVURJKSA-N 0 3 357.841 3.253 20 30 FGEDHN C=CCOc1ccc(CN2CCC(c3nncn3CC)CC2)cc1OC ZINC000360078573 498244569 /nfs/dbraw/zinc/24/45/69/498244569.db2.gz XGQMEZSERSKREH-UHFFFAOYSA-N 0 3 356.470 3.251 20 30 FGEDHN CC(=O)Nc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000289690297 498249572 /nfs/dbraw/zinc/24/95/72/498249572.db2.gz FJWNMZMSDCTRNS-UHFFFAOYSA-N 0 3 350.466 3.080 20 30 FGEDHN CCNC(=O)N(C)c1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000331178025 498268347 /nfs/dbraw/zinc/26/83/47/498268347.db2.gz GBHKFSPQOMNCGM-RHSMWYFYSA-N 0 3 361.490 3.017 20 30 FGEDHN N#CC1CCC(CNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000281785478 498269371 /nfs/dbraw/zinc/26/93/71/498269371.db2.gz JLCMNDTYWLPEJV-UHFFFAOYSA-N 0 3 354.498 3.064 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000331179929 498270840 /nfs/dbraw/zinc/27/08/40/498270840.db2.gz MMJKRWIVJOJQHL-KOLCDFICSA-N 0 3 356.220 3.145 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)CC1 ZINC000365061154 498277444 /nfs/dbraw/zinc/27/74/44/498277444.db2.gz IODHNDLLEHXSRN-PXNSSMCTSA-N 0 3 360.885 3.147 20 30 FGEDHN Cc1ccc(NC(=O)N2CCO[C@H](C(C)(C)C)C2)c(OCCN(C)C)c1 ZINC000331309759 498297834 /nfs/dbraw/zinc/29/78/34/498297834.db2.gz GGECDLPXZOQBKC-SFHVURJKSA-N 0 3 363.502 3.228 20 30 FGEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000331410075 498322006 /nfs/dbraw/zinc/32/20/06/498322006.db2.gz JEMYJJVHUDTUQI-XYJFISCASA-N 0 3 365.399 3.249 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000281928241 498322062 /nfs/dbraw/zinc/32/20/62/498322062.db2.gz ZNWAGNKSWUBJNK-PMACEKPBSA-N 0 3 359.514 3.261 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000281928244 498322125 /nfs/dbraw/zinc/32/21/25/498322125.db2.gz ZNWAGNKSWUBJNK-UXHICEINSA-N 0 3 359.514 3.261 20 30 FGEDHN CN(CCCC1(C#N)CCOCC1)Cc1cc(Br)cn1C ZINC000281964147 498336897 /nfs/dbraw/zinc/33/68/97/498336897.db2.gz KRERBOOEULNNBG-UHFFFAOYSA-N 0 3 354.292 3.320 20 30 FGEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000289898618 498343222 /nfs/dbraw/zinc/34/32/22/498343222.db2.gz QWHYQBQQAUDYPE-GXSJLCMTSA-N 0 3 350.768 3.212 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)CC1 ZINC000297219476 498363411 /nfs/dbraw/zinc/36/34/11/498363411.db2.gz VZGKFIXOOWNHQU-FOIQADDNSA-N 0 3 370.497 3.220 20 30 FGEDHN Cn1cc(CN2CC[C@]3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000365234611 498365671 /nfs/dbraw/zinc/36/56/71/498365671.db2.gz OPWXPEQSJSPXGA-YLJYHZDGSA-N 0 3 358.486 3.166 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](n3cnc4ccccc43)C2)CC1 ZINC000361290035 498370943 /nfs/dbraw/zinc/37/09/43/498370943.db2.gz YQNWENSBKLGUIM-GOSISDBHSA-N 0 3 367.497 3.033 20 30 FGEDHN COc1ccccc1[C@@H](CNc1nc2ccccn2c1C#N)N1CCCC1 ZINC000302102972 498405217 /nfs/dbraw/zinc/40/52/17/498405217.db2.gz QRFZGRWPPFPPDG-GOSISDBHSA-N 0 3 361.449 3.464 20 30 FGEDHN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1C#N ZINC000282169320 498409375 /nfs/dbraw/zinc/40/93/75/498409375.db2.gz DYIJDXCWYWRECK-UHFFFAOYSA-N 0 3 351.450 3.035 20 30 FGEDHN Cc1nsc(NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1C#N ZINC000297458150 498455901 /nfs/dbraw/zinc/45/59/01/498455901.db2.gz PUCMOMGGRXLDDJ-UHFFFAOYSA-N 0 3 369.494 3.452 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NCc3ccccc3CN3CC[C@H](O)C3)c2c1 ZINC000569878935 506036971 /nfs/dbraw/zinc/03/69/71/506036971.db2.gz MPWFQBGQCIMRMP-FQEVSTJZSA-N 0 3 372.472 3.016 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(-c2cncnc2)cc1 ZINC000362288600 498489130 /nfs/dbraw/zinc/48/91/30/498489130.db2.gz XJCRZWVDLHLCCF-KKSFZXQISA-N 0 3 374.444 3.106 20 30 FGEDHN Cc1nc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)ccc1C#N ZINC000365537081 498520293 /nfs/dbraw/zinc/52/02/93/498520293.db2.gz OOPPZZORQVZOSK-YJBOKZPZSA-N 0 3 354.479 3.136 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)COc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000365541976 498523326 /nfs/dbraw/zinc/52/33/26/498523326.db2.gz YDCWBRUULXKXHJ-JXFKEZNVSA-N 0 3 369.490 3.198 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000362902915 498575665 /nfs/dbraw/zinc/57/56/65/498575665.db2.gz XLFXZSUNYVHKHS-UHFFFAOYSA-N 0 3 368.481 3.490 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cccs2)cc1 ZINC000286979677 498578490 /nfs/dbraw/zinc/57/84/90/498578490.db2.gz BXNPZEUTZRXTCA-LBPRGKRZSA-N 0 3 363.464 3.098 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H]3c4ccccc4CC34CCOCC4)n2c1 ZINC000365669480 498588661 /nfs/dbraw/zinc/58/86/61/498588661.db2.gz DCNYQYHDZUXPTP-NRFANRHFSA-N 0 3 358.445 3.390 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000332189769 498594887 /nfs/dbraw/zinc/59/48/87/498594887.db2.gz GDNZPTZHJDBFFP-RBSFLKMASA-N 0 3 361.467 3.026 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2nc(-c3ccccc3)oc2C)CC1 ZINC000363072688 498636218 /nfs/dbraw/zinc/63/62/18/498636218.db2.gz UQYARIQMDMHCDB-UHFFFAOYSA-N 0 3 368.481 3.142 20 30 FGEDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000298254906 498711815 /nfs/dbraw/zinc/71/18/15/498711815.db2.gz LILDLYHSYGHRQG-QUCCMNQESA-N 0 3 370.493 3.278 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCN1CC ZINC000303792956 498715974 /nfs/dbraw/zinc/71/59/74/498715974.db2.gz KEKAPUPDBPCVFI-AWEZNQCLSA-N 0 3 356.388 3.484 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000581869214 506078963 /nfs/dbraw/zinc/07/89/63/506078963.db2.gz LVYSLLUALPTOLX-IUODEOHRSA-N 0 3 350.447 3.063 20 30 FGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000572905100 506079722 /nfs/dbraw/zinc/07/97/22/506079722.db2.gz SSHGBAPZWKJVDG-KRWDZBQOSA-N 0 3 371.481 3.331 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN2CCN([C@H]3CCSC3)CC2)cc1 ZINC000366100338 498775980 /nfs/dbraw/zinc/77/59/80/498775980.db2.gz YYKSJLZPVVPABS-KRWDZBQOSA-N 0 3 354.441 3.180 20 30 FGEDHN COCCOc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1OC ZINC000576152637 506089042 /nfs/dbraw/zinc/08/90/42/506089042.db2.gz QTLVNKHTNVTWCH-OAHLLOKOSA-N 0 3 370.449 3.451 20 30 FGEDHN C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000294931818 498852783 /nfs/dbraw/zinc/85/27/83/498852783.db2.gz HMNLBGBDPRQEQA-UHFFFAOYSA-N 0 3 358.486 3.443 20 30 FGEDHN N#Cc1ncn(C2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)n1 ZINC000366280158 498855752 /nfs/dbraw/zinc/85/57/52/498855752.db2.gz IGDXJXIZWNFOIA-UHFFFAOYSA-N 0 3 367.844 3.030 20 30 FGEDHN C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N(C)C ZINC000298738005 498865040 /nfs/dbraw/zinc/86/50/40/498865040.db2.gz UZHAFJQWLZDWKZ-MRXNPFEDSA-N 0 3 366.465 3.403 20 30 FGEDHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000328675051 498898068 /nfs/dbraw/zinc/89/80/68/498898068.db2.gz KJDGEEVNTXDJQE-DZGCQCFKSA-N 0 3 358.442 3.388 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000333112190 498902328 /nfs/dbraw/zinc/90/23/28/498902328.db2.gz XTMMRJQWQCULSZ-CKVGWXAMSA-N 0 3 354.498 3.136 20 30 FGEDHN CC1(C)C[C@@H](O)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000295233312 498951189 /nfs/dbraw/zinc/95/11/89/498951189.db2.gz OFIQOFGTGITOJQ-IBGZPJMESA-N 0 3 352.482 3.447 20 30 FGEDHN N#Cc1nc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1Cl ZINC000366503460 498956292 /nfs/dbraw/zinc/95/62/92/498956292.db2.gz FCMUKTPVRISBPZ-UHFFFAOYSA-N 0 3 358.795 3.246 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000366520700 498963014 /nfs/dbraw/zinc/96/30/14/498963014.db2.gz KVXIBMYNJCNEDT-GOSISDBHSA-N 0 3 363.465 3.295 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])cnc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366547846 498973683 /nfs/dbraw/zinc/97/36/83/498973683.db2.gz WVHWWHHWCBAVKA-UHFFFAOYSA-N 0 3 369.347 3.079 20 30 FGEDHN CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)C1 ZINC000328928238 498988750 /nfs/dbraw/zinc/98/87/50/498988750.db2.gz XTCABNHNRZWDBJ-GJZGRUSLSA-N 0 3 361.511 3.202 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000328936138 498992217 /nfs/dbraw/zinc/99/22/17/498992217.db2.gz JJXHREQFGAWTGZ-NXWXRZEISA-N 0 3 368.481 3.290 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCn2cncc2C1 ZINC000328965331 499001071 /nfs/dbraw/zinc/00/10/71/499001071.db2.gz SBZFVWMBZBUYAM-KPFFTGBYSA-N 0 3 352.482 3.313 20 30 FGEDHN CCN(CC#CCN(CC)CCc1nccs1)CCc1nccs1 ZINC000283929282 499014463 /nfs/dbraw/zinc/01/44/63/499014463.db2.gz COPRXOIHMUSWRO-UHFFFAOYSA-N 0 3 362.568 3.032 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000283994851 499026572 /nfs/dbraw/zinc/02/65/72/499026572.db2.gz MENCMXFYQPAEAP-QFIPXVFZSA-N 0 3 366.509 3.438 20 30 FGEDHN Cn1ccnc1-c1cccc(NC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000329069941 499031448 /nfs/dbraw/zinc/03/14/48/499031448.db2.gz NCLMKMGSJAXHPV-UHFFFAOYSA-N 0 3 353.470 3.193 20 30 FGEDHN Cc1noc([C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329069853 499032331 /nfs/dbraw/zinc/03/23/31/499032331.db2.gz YIEGVRREFQWYAX-GFCCVEGCSA-N 0 3 371.466 3.268 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329074875 499034425 /nfs/dbraw/zinc/03/44/25/499034425.db2.gz BORDZBGNOBYWPJ-WDSOQIARSA-N 0 3 363.477 3.281 20 30 FGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000329251950 499083980 /nfs/dbraw/zinc/08/39/80/499083980.db2.gz VEIAWXUZUCILFZ-LLVKDONJSA-N 0 3 358.408 3.384 20 30 FGEDHN O=C(Nc1cccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1)[C@H]1CCCO1 ZINC000329279639 499090777 /nfs/dbraw/zinc/09/07/77/499090777.db2.gz JYZSBTMUYCVDLF-RTBURBONSA-N 0 3 371.481 3.154 20 30 FGEDHN C[C@H](NC(=O)NCC1(O)CCC(C(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000329281889 499091060 /nfs/dbraw/zinc/09/10/60/499091060.db2.gz FEMOYHCXESXGLX-FVWXCPNNSA-N 0 3 351.535 3.108 20 30 FGEDHN COc1ccc2[nH]c(=NC(=O)N3CC[C@H](N4CCCCC4)C3)sc2c1 ZINC000329324262 499098980 /nfs/dbraw/zinc/09/89/80/499098980.db2.gz SJJYSRJUAPEAOJ-ZDUSSCGKSA-N 0 3 360.483 3.411 20 30 FGEDHN Cc1cc(NC(=O)N2CCN3CCC[C@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329369455 499110543 /nfs/dbraw/zinc/11/05/43/499110543.db2.gz IHJPXMDVVCIJIL-WMZOPIPTSA-N 0 3 357.502 3.094 20 30 FGEDHN CN1CC[C@H](NCc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)cc1 ZINC000366935291 499118704 /nfs/dbraw/zinc/11/87/04/499118704.db2.gz SPCZMHSVTQDPMA-ICSRJNTNSA-N 0 3 365.868 3.394 20 30 FGEDHN CN1CC[C@@H](NCc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)cc1 ZINC000366935293 499118778 /nfs/dbraw/zinc/11/87/78/499118778.db2.gz SPCZMHSVTQDPMA-UYAOXDASSA-N 0 3 365.868 3.394 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)[C@@H]2C1 ZINC000329461716 499124658 /nfs/dbraw/zinc/12/46/58/499124658.db2.gz SUUNQMUKQXNPOZ-RDTXWAMCSA-N 0 3 372.494 3.294 20 30 FGEDHN C=CCN(C(=O)c1ccc(C#N)c(C)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372597298 499151534 /nfs/dbraw/zinc/15/15/34/499151534.db2.gz ABYWGFFTAQNPJA-FQEVSTJZSA-N 0 3 360.461 3.164 20 30 FGEDHN C=CCc1cc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc(OC)c1O ZINC000369965841 499158787 /nfs/dbraw/zinc/15/87/87/499158787.db2.gz SNRLXUFDZPUKEM-MRXNPFEDSA-N 0 3 361.482 3.147 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(CC#N)CC1 ZINC000367208767 499162076 /nfs/dbraw/zinc/16/20/76/499162076.db2.gz XYULEAVJLOWEKI-SFHVURJKSA-N 0 3 354.498 3.280 20 30 FGEDHN COc1ccccc1CC(=O)N1CCCN(CCCC(C)(C)C#N)CC1 ZINC000370001391 499163977 /nfs/dbraw/zinc/16/39/77/499163977.db2.gz HRNRLOHOVRRWTE-UHFFFAOYSA-N 0 3 357.498 3.102 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3ccccc3CO)CC2)CC1 ZINC000372715125 499165330 /nfs/dbraw/zinc/16/53/30/499165330.db2.gz LBYRVNGTRISXQB-UHFFFAOYSA-N 0 3 371.525 3.108 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)N2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000367321909 499181401 /nfs/dbraw/zinc/18/14/01/499181401.db2.gz LHBVFMYIMAWMRD-OAHLLOKOSA-N 0 3 361.453 3.042 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000370215468 499198394 /nfs/dbraw/zinc/19/83/94/499198394.db2.gz LXKWRAANRGTYGV-SFHVURJKSA-N 0 3 368.506 3.155 20 30 FGEDHN C=CCN(C(=O)NCc1cscn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368393327 499291861 /nfs/dbraw/zinc/29/18/61/499291861.db2.gz JLHUGIGCTNJDOV-SFHVURJKSA-N 0 3 356.495 3.115 20 30 FGEDHN N#CC1CCC(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000368523114 499304489 /nfs/dbraw/zinc/30/44/89/499304489.db2.gz SOSQMVGPUZNEBW-FAFZWHIHSA-N 0 3 357.473 3.484 20 30 FGEDHN CN1CC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000368800013 499333871 /nfs/dbraw/zinc/33/38/71/499333871.db2.gz ZIHABXHKHKRXTJ-VQIMIIECSA-N 0 3 365.502 3.461 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000371517702 499336989 /nfs/dbraw/zinc/33/69/89/499336989.db2.gz LZFPQFNWHXEBKK-OAQYLSRUSA-N 0 3 361.445 3.385 20 30 FGEDHN CN(C(=O)Nc1ccc(C#N)cc1)C1CCN(CCc2ccncc2)CC1 ZINC000371518213 499337193 /nfs/dbraw/zinc/33/71/93/499337193.db2.gz UYVYJBIAQNRPFA-UHFFFAOYSA-N 0 3 363.465 3.124 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000579313931 506143772 /nfs/dbraw/zinc/14/37/72/506143772.db2.gz UAHXNOPRPJZQLH-MRXNPFEDSA-N 0 3 353.388 3.324 20 30 FGEDHN Cc1nnc([C@@H]2CC23CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC3)o1 ZINC000369415491 499401189 /nfs/dbraw/zinc/40/11/89/499401189.db2.gz ADDIUBWPYXTKHP-KDOFPFPSSA-N 0 3 352.438 3.439 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000369739787 499439818 /nfs/dbraw/zinc/43/98/18/499439818.db2.gz QEKYOLAOKFPUET-UHFFFAOYSA-N 0 3 360.889 3.184 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000373299244 499462180 /nfs/dbraw/zinc/46/21/80/499462180.db2.gz DMGLKUMCTAFXEM-WBVHZDCISA-N 0 3 360.527 3.466 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000373346132 499464609 /nfs/dbraw/zinc/46/46/09/499464609.db2.gz SHCXLNZXTZLPPW-IBGZPJMESA-N 0 3 354.454 3.038 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000373429353 499469389 /nfs/dbraw/zinc/46/93/89/499469389.db2.gz CLMBPBANJNZVLF-FQEVSTJZSA-N 0 3 358.445 3.117 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000373525959 499475056 /nfs/dbraw/zinc/47/50/56/499475056.db2.gz GPRCMRVDTPTWDO-UNMCSNQZSA-N 0 3 369.553 3.222 20 30 FGEDHN N#CC1(c2ccc(C(=O)Nc3cnn(CCN4CCCCC4)c3)cc2)CC1 ZINC000378479183 499522349 /nfs/dbraw/zinc/52/23/49/499522349.db2.gz ZKFYCGMNPVOIKW-UHFFFAOYSA-N 0 3 363.465 3.176 20 30 FGEDHN C[C@@H]1C[C@H](Nc2ncc(C#N)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000379681666 499542780 /nfs/dbraw/zinc/54/27/80/499542780.db2.gz SIUIHIYFTCBXNK-RHSMWYFYSA-N 0 3 351.410 3.326 20 30 FGEDHN C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000379681665 499542864 /nfs/dbraw/zinc/54/28/64/499542864.db2.gz SIUIHIYFTCBXNK-PBHICJAKSA-N 0 3 351.410 3.326 20 30 FGEDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C#N)CCN1Cc1ccccc1 ZINC000379679490 499542872 /nfs/dbraw/zinc/54/28/72/499542872.db2.gz JAGKXNFUDZFNJY-YOEHRIQHSA-N 0 3 351.410 3.326 20 30 FGEDHN C[C@@]1(CNc2ncc(C#N)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000397894497 499564993 /nfs/dbraw/zinc/56/49/93/499564993.db2.gz UBANHJUUCHMTAK-IBGZPJMESA-N 0 3 351.410 3.328 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)COc1ccc(C#N)cc1 ZINC000398194366 499567167 /nfs/dbraw/zinc/56/71/67/499567167.db2.gz YMSVBPMBTCYHOW-OAQYLSRUSA-N 0 3 365.477 3.210 20 30 FGEDHN N#Cc1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1F ZINC000404061646 499569799 /nfs/dbraw/zinc/56/97/99/499569799.db2.gz IHPRQDZURBWULY-YADHBBJMSA-N 0 3 365.452 3.173 20 30 FGEDHN N#CCc1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000404200557 499569949 /nfs/dbraw/zinc/56/99/49/499569949.db2.gz PSRTUDLNBDOXLT-GOTSBHOMSA-N 0 3 361.489 3.228 20 30 FGEDHN Cc1c(Cl)cnc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000408183951 499579398 /nfs/dbraw/zinc/57/93/98/499579398.db2.gz VOZSPFMGTUEPPS-OKILXGFUSA-N 0 3 362.905 3.241 20 30 FGEDHN CCN([C@@H](C)c1ccc(C#N)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000409449894 499597348 /nfs/dbraw/zinc/59/73/48/499597348.db2.gz AABMBAIZMWCYKD-BBRMVZONSA-N 0 3 353.388 3.494 20 30 FGEDHN Cc1cccc2oc(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)nc21 ZINC000409640778 499611196 /nfs/dbraw/zinc/61/11/96/499611196.db2.gz UXZCGSMHFAEFGA-QGZVFWFLSA-N 0 3 358.401 3.049 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000376977505 499651203 /nfs/dbraw/zinc/65/12/03/499651203.db2.gz GJZQKQXYQYXPHU-UHFFFAOYSA-N 0 3 374.451 3.421 20 30 FGEDHN N#CC1(CCCN2CCC(CO)(Nc3ccccc3)CC2)CCOCC1 ZINC000377106858 499662722 /nfs/dbraw/zinc/66/27/22/499662722.db2.gz RTGQEMCZGXQACJ-UHFFFAOYSA-N 0 3 357.498 3.026 20 30 FGEDHN CN(C(=O)c1ncc(C#N)cc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000410474764 499664185 /nfs/dbraw/zinc/66/41/85/499664185.db2.gz LPAUWOXHRNBZSC-UHFFFAOYSA-N 0 3 368.868 3.343 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000377546566 499702988 /nfs/dbraw/zinc/70/29/88/499702988.db2.gz GERANQWOWBKRER-JCHJZTRSSA-N 0 3 362.901 3.430 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000576434967 506156837 /nfs/dbraw/zinc/15/68/37/506156837.db2.gz QMBBUYFNSRZBRT-HZPDHXFCSA-N 0 3 373.476 3.101 20 30 FGEDHN COc1cc(CN(CCC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1O ZINC000411413225 499736989 /nfs/dbraw/zinc/73/69/89/499736989.db2.gz CTDBNZMUMWXVKI-UHFFFAOYSA-N 0 3 365.433 3.266 20 30 FGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000414165093 499765228 /nfs/dbraw/zinc/76/52/28/499765228.db2.gz LGHRCAHAEHVZEE-MRXNPFEDSA-N 0 3 363.527 3.452 20 30 FGEDHN CS(=O)(=O)c1ccc(CNCCSCc2ccccc2C#N)s1 ZINC000414273986 499773289 /nfs/dbraw/zinc/77/32/89/499773289.db2.gz ZWNYVPOAFMPNFN-UHFFFAOYSA-N 0 3 366.533 3.046 20 30 FGEDHN CN(C)C(=O)[C@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000414494317 499799190 /nfs/dbraw/zinc/79/91/90/499799190.db2.gz DWDFNGICAQUJFD-IBGZPJMESA-N 0 3 363.461 3.047 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@H](N3CCCC3=O)CC2)c1 ZINC000414556019 499808406 /nfs/dbraw/zinc/80/84/06/499808406.db2.gz VCTHMJTTXXQLAR-IBGZPJMESA-N 0 3 355.482 3.346 20 30 FGEDHN CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000412194235 499832627 /nfs/dbraw/zinc/83/26/27/499832627.db2.gz PINMOXSBMKYJFA-FDFHNCONSA-N 0 3 359.473 3.395 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415156424 499871328 /nfs/dbraw/zinc/87/13/28/499871328.db2.gz GJDJIIPIJKKTLR-IPYPFGDCSA-N 0 3 362.499 3.315 20 30 FGEDHN Cc1cc(NCc2ccccc2OCCN(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413092976 499912757 /nfs/dbraw/zinc/91/27/57/499912757.db2.gz MNTKEDRNOHGLKT-UHFFFAOYSA-N 0 3 354.410 3.327 20 30 FGEDHN CNCc1cccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000415923608 499929166 /nfs/dbraw/zinc/92/91/66/499929166.db2.gz WUVCXVHRBRDUKV-UHFFFAOYSA-N 0 3 363.465 3.022 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)c1ncc(Br)cc1C#N ZINC000413461568 499963891 /nfs/dbraw/zinc/96/38/91/499963891.db2.gz VVAVYNMJXHVEGF-UHFFFAOYSA-N 0 3 365.300 3.345 20 30 FGEDHN COc1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)s2)c(OC)c1 ZINC000421346696 500022488 /nfs/dbraw/zinc/02/24/88/500022488.db2.gz AEHMYWOUETUFPJ-LBPRGKRZSA-N 0 3 359.451 3.144 20 30 FGEDHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429229860 500027701 /nfs/dbraw/zinc/02/77/01/500027701.db2.gz WMHLNQATEPNDEE-ABAIWWIYSA-N 0 3 355.825 3.001 20 30 FGEDHN CCC1(CC)[C@H](NCC(=O)N(CCC#N)c2ccccc2)[C@H](C)[C@H]1OC ZINC000429296968 500046590 /nfs/dbraw/zinc/04/65/90/500046590.db2.gz UHBSWSXUFJGTGY-PWIZWCRZSA-N 0 3 357.498 3.363 20 30 FGEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000413769658 500052396 /nfs/dbraw/zinc/05/23/96/500052396.db2.gz KQYJELAGBNPBCE-CQSZACIVSA-N 0 3 370.419 3.220 20 30 FGEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425236219 500052568 /nfs/dbraw/zinc/05/25/68/500052568.db2.gz POCCPFDHQHMYRU-KRWDZBQOSA-N 0 3 350.422 3.425 20 30 FGEDHN C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N1CCC[C@@H](C)C1 ZINC000416694729 500089670 /nfs/dbraw/zinc/08/96/70/500089670.db2.gz UIPUVOZBPSVNBB-JXXFODFXSA-N 0 3 354.498 3.355 20 30 FGEDHN C=CCC1(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CCOCC1 ZINC000425517206 500130722 /nfs/dbraw/zinc/13/07/22/500130722.db2.gz OZPIGFFOFYWYBM-HXUWFJFHSA-N 0 3 356.510 3.482 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C12CCCCC2 ZINC000429790409 500145555 /nfs/dbraw/zinc/14/55/55/500145555.db2.gz TYGDAVJOSYDIQA-RCCFBDPRSA-N 0 3 361.530 3.435 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429986493 500178877 /nfs/dbraw/zinc/17/88/77/500178877.db2.gz GMXDDTLGZOFMBX-SFHVURJKSA-N 0 3 365.481 3.068 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000425864833 500206385 /nfs/dbraw/zinc/20/63/85/500206385.db2.gz ZUSHSYBOBLTLHB-WMZOPIPTSA-N 0 3 365.905 3.004 20 30 FGEDHN N#CCCn1cc(CN2CCC(OC3CCC3)CC2)c(-c2ccncc2)n1 ZINC000418096171 500228677 /nfs/dbraw/zinc/22/86/77/500228677.db2.gz UXEQJAGZUARBOL-UHFFFAOYSA-N 0 3 365.481 3.392 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000430641928 500265310 /nfs/dbraw/zinc/26/53/10/500265310.db2.gz NJSZSFFXCCAOPX-NSHDSACASA-N 0 3 355.419 3.262 20 30 FGEDHN C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000430715671 500273916 /nfs/dbraw/zinc/27/39/16/500273916.db2.gz QJUUBMOXTDEBKY-WTOYTKOKSA-N 0 3 361.489 3.498 20 30 FGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000430757551 500280695 /nfs/dbraw/zinc/28/06/95/500280695.db2.gz WLENAEIYMKVTTQ-HNNXBMFYSA-N 0 3 373.478 3.103 20 30 FGEDHN COCCN(Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCOC1 ZINC000426509331 500282336 /nfs/dbraw/zinc/28/23/36/500282336.db2.gz MHKNETCNNUSWRI-OAQYLSRUSA-N 0 3 366.461 3.375 20 30 FGEDHN Cn1c2cc(F)ccc2nc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000431014432 500323325 /nfs/dbraw/zinc/32/33/25/500323325.db2.gz NMPGSRSDDIOYPP-UHFFFAOYSA-N 0 3 363.440 3.296 20 30 FGEDHN CC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CC1(C)C ZINC000419319052 500352257 /nfs/dbraw/zinc/35/22/57/500352257.db2.gz ODRTVNJZKFRIAQ-IRXDYDNUSA-N 0 3 351.454 3.097 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@@H]1CCCC1=O ZINC000427119116 500356107 /nfs/dbraw/zinc/35/61/07/500356107.db2.gz FXDVMEMQCRCZCJ-INIZCTEOSA-N 0 3 362.543 3.344 20 30 FGEDHN Cc1ncccc1OC[C@H]1CCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000419402877 500361687 /nfs/dbraw/zinc/36/16/87/500361687.db2.gz RATJALYLDQFXHC-LJQANCHMSA-N 0 3 364.449 3.134 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419606245 500383737 /nfs/dbraw/zinc/38/37/37/500383737.db2.gz FKELRMIYKBWZLV-HXUWFJFHSA-N 0 3 354.498 3.453 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N([C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000419923805 500407466 /nfs/dbraw/zinc/40/74/66/500407466.db2.gz BLGYPMMADRGMMC-OGWHTMIXSA-N 0 3 355.482 3.030 20 30 FGEDHN Cc1c([C@H]2OCC[C@@H]2NCc2cccc(OCCCC#N)c2)cnn1C ZINC000431689862 500409140 /nfs/dbraw/zinc/40/91/40/500409140.db2.gz ZYWZHNDDGGKNFF-VQTJNVASSA-N 0 3 354.454 3.031 20 30 FGEDHN C=CCCCS(=O)(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000427644983 500415502 /nfs/dbraw/zinc/41/55/02/500415502.db2.gz LKOVXCXSDJITFY-UHFFFAOYSA-N 0 3 357.479 3.352 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000424072148 500447740 /nfs/dbraw/zinc/44/77/40/500447740.db2.gz CMTGULVMLMXBNT-AZUAARDMSA-N 0 3 360.461 3.437 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000424080706 500449315 /nfs/dbraw/zinc/44/93/15/500449315.db2.gz UAJYLXBULJNZKQ-LLVKDONJSA-N 0 3 364.165 3.428 20 30 FGEDHN COc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)c2ccc(F)cc2)cc1 ZINC000424097699 500452238 /nfs/dbraw/zinc/45/22/38/500452238.db2.gz BHGLNJMSYUNOFE-OALUTQOASA-N 0 3 355.413 3.061 20 30 FGEDHN CCOc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc2)cc1 ZINC000424098293 500452892 /nfs/dbraw/zinc/45/28/92/500452892.db2.gz SPYYFNSTFJTHQB-PMACEKPBSA-N 0 3 351.450 3.312 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000424104771 500453830 /nfs/dbraw/zinc/45/38/30/500453830.db2.gz UKEBPCPKFRTQJE-CABCVRRESA-N 0 3 350.260 3.134 20 30 FGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000424327935 500486887 /nfs/dbraw/zinc/48/68/87/500486887.db2.gz NIRUPVBNZLKONU-SOLBZPMBSA-N 0 3 361.511 3.204 20 30 FGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000424327937 500487312 /nfs/dbraw/zinc/48/73/12/500487312.db2.gz NIRUPVBNZLKONU-XYJFISCASA-N 0 3 361.511 3.204 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccsc1 ZINC000432399745 500510644 /nfs/dbraw/zinc/51/06/44/500510644.db2.gz IGSIMZINTWMDNR-IBGZPJMESA-N 0 3 370.522 3.499 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)NCc2ccc(C#N)s2)CCC1 ZINC000420850805 500515215 /nfs/dbraw/zinc/51/52/15/500515215.db2.gz UQTQKCCZABATOD-UHFFFAOYSA-N 0 3 368.506 3.474 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CCOCC1 ZINC000424550397 500515840 /nfs/dbraw/zinc/51/58/40/500515840.db2.gz ZHYULUSXRHXGMN-UHFFFAOYSA-N 0 3 371.525 3.448 20 30 FGEDHN N#CCSc1cccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000428553801 500526510 /nfs/dbraw/zinc/52/65/10/500526510.db2.gz YBXDQODROFVIAK-SFHVURJKSA-N 0 3 367.474 3.121 20 30 FGEDHN C=CCC1(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CCOCC1 ZINC000424609373 500526873 /nfs/dbraw/zinc/52/68/73/500526873.db2.gz AIXZXYNSCZTPIS-UHFFFAOYSA-N 0 3 368.521 3.409 20 30 FGEDHN COC(=O)c1coc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000447533190 500618901 /nfs/dbraw/zinc/61/89/01/500618901.db2.gz WXUXXXNAWQIADX-XJKSGUPXSA-N 0 3 371.412 3.397 20 30 FGEDHN COC(=O)c1coc([C@@H](C)NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000447591987 500630417 /nfs/dbraw/zinc/63/04/17/500630417.db2.gz JOXSESZKFUXXEO-NVPAJSRCSA-N 0 3 369.421 3.374 20 30 FGEDHN COc1cc(CN2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000442883123 500639744 /nfs/dbraw/zinc/63/97/44/500639744.db2.gz UIJAGSCJQJTROB-ROUUACIJSA-N 0 3 371.525 3.278 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000433225216 500650449 /nfs/dbraw/zinc/65/04/49/500650449.db2.gz ALBLBSLKPHLKHZ-JOCHJYFZSA-N 0 3 361.489 3.493 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)c(F)c1 ZINC000433311833 500668917 /nfs/dbraw/zinc/66/89/17/500668917.db2.gz OARXBVSITFDMBR-HNNXBMFYSA-N 0 3 365.412 3.439 20 30 FGEDHN CCC[C@]1(COC)CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447880597 500684277 /nfs/dbraw/zinc/68/42/77/500684277.db2.gz VPXSFVGRSVBUNS-TZIWHRDSSA-N 0 3 355.482 3.335 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000433390365 500686160 /nfs/dbraw/zinc/68/61/60/500686160.db2.gz ZUPWCDRONKSCIN-ICSRJNTNSA-N 0 3 350.418 3.065 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000437791533 500696210 /nfs/dbraw/zinc/69/62/10/500696210.db2.gz FIDYHDJDIBQSQK-HBMCJLEFSA-N 0 3 373.541 3.423 20 30 FGEDHN CCN(CC)[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1ccco1 ZINC000443518768 500733194 /nfs/dbraw/zinc/73/31/94/500733194.db2.gz TVGUHIMARDJBLJ-CQSZACIVSA-N 0 3 352.360 3.482 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000438195279 500753331 /nfs/dbraw/zinc/75/33/31/500753331.db2.gz BORAGRSKZILECQ-AQNXPRMDSA-N 0 3 359.514 3.132 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2ccoc2c1)C(C)C ZINC000443757957 500761853 /nfs/dbraw/zinc/76/18/53/500761853.db2.gz XOJCMJVYUJMXPH-SFHVURJKSA-N 0 3 369.465 3.186 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000438451073 500786947 /nfs/dbraw/zinc/78/69/47/500786947.db2.gz GSJDEKWJXFMUSI-HBMCJLEFSA-N 0 3 371.525 3.274 20 30 FGEDHN CN(C)C1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCC1 ZINC000438520066 500796844 /nfs/dbraw/zinc/79/68/44/500796844.db2.gz UZVVYLHNNIDUEV-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN CC[C@@H](CC(F)(F)F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000448724661 500815784 /nfs/dbraw/zinc/81/57/84/500815784.db2.gz HIMZEJBXMIHQBB-INIZCTEOSA-N 0 3 355.404 3.427 20 30 FGEDHN C=CC1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438855399 500827758 /nfs/dbraw/zinc/82/77/58/500827758.db2.gz ZSXKECMAYLHPLU-HNNXBMFYSA-N 0 3 358.251 3.226 20 30 FGEDHN CO[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1OC ZINC000444690249 500879273 /nfs/dbraw/zinc/87/92/73/500879273.db2.gz JFMONLWQWOINJR-NHCUHLMSSA-N 0 3 350.462 3.232 20 30 FGEDHN CN(C)CC1(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCC1 ZINC000439337302 500886880 /nfs/dbraw/zinc/88/68/80/500886880.db2.gz AHOMFTVNSISQAD-UHFFFAOYSA-N 0 3 370.375 3.105 20 30 FGEDHN O=C(CN1CCCC12CCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444790822 500902214 /nfs/dbraw/zinc/90/22/14/500902214.db2.gz KPENWNNFOMEPAH-UHFFFAOYSA-N 0 3 350.384 3.192 20 30 FGEDHN CCO[C@H]1C[C@@](CO)(NCC#Cc2ccc(OC(F)(F)F)cc2)C1(C)C ZINC000444798157 500902785 /nfs/dbraw/zinc/90/27/85/500902785.db2.gz FVNJPMBZJWHFLY-WMZOPIPTSA-N 0 3 371.399 3.092 20 30 FGEDHN CC(C)Oc1cc(NC(=O)[C@H](N)CCCC#N)ccc1Br ZINC000602600932 506227933 /nfs/dbraw/zinc/22/79/33/506227933.db2.gz PYTMLORNPLWAQC-CYBMUJFWSA-N 0 3 354.248 3.196 20 30 FGEDHN C=C(C)COc1cc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)ccc1OC ZINC000449436290 501002992 /nfs/dbraw/zinc/00/29/92/501002992.db2.gz XDSXZEAVLHNCGX-GUDVDZBRSA-N 0 3 361.482 3.012 20 30 FGEDHN COc1cc(CNCCOc2ncccc2C(F)(F)F)ccc1C#N ZINC000440628063 501030811 /nfs/dbraw/zinc/03/08/11/501030811.db2.gz JRMRTCDBCWDEMB-UHFFFAOYSA-N 0 3 351.328 3.149 20 30 FGEDHN CO[C@@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000449636850 501047423 /nfs/dbraw/zinc/04/74/23/501047423.db2.gz XIEWGYJUWROYHC-RBUKOAKNSA-N 0 3 350.466 3.348 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441275027 501112304 /nfs/dbraw/zinc/11/23/04/501112304.db2.gz IGYUBJXSHPXRKH-KSZLIROESA-N 0 3 362.539 3.400 20 30 FGEDHN Cc1cccc2c1CCC[C@@H]2NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000596069531 506240282 /nfs/dbraw/zinc/24/02/82/506240282.db2.gz LNUNASTVQFJJPI-AVRDEDQJSA-N 0 3 350.462 3.468 20 30 FGEDHN CC(=O)Nc1ccc(CN2CCC(Nc3nc(C)ccc3C#N)CC2)cc1 ZINC000450785979 501209005 /nfs/dbraw/zinc/20/90/05/501209005.db2.gz PEWUIVQRMNNZRE-UHFFFAOYSA-N 0 3 363.465 3.297 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451416075 501287292 /nfs/dbraw/zinc/28/72/92/501287292.db2.gz GASDQNSQGVGLIS-AITUJVMLSA-N 0 3 362.539 3.277 20 30 FGEDHN Cc1cc(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)ncc1C#N ZINC000457687506 501287383 /nfs/dbraw/zinc/28/73/83/501287383.db2.gz GPQPGWZXQVXTJP-UHFFFAOYSA-N 0 3 363.465 3.035 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451416079 501287741 /nfs/dbraw/zinc/28/77/41/501287741.db2.gz GASDQNSQGVGLIS-JCHJZTRSSA-N 0 3 362.539 3.277 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000455418446 501297052 /nfs/dbraw/zinc/29/70/52/501297052.db2.gz FZTBCHSZTBDCCO-HBMCJLEFSA-N 0 3 371.525 3.274 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](OC)C(C)(C)C1)C(C)C ZINC000457745735 501299502 /nfs/dbraw/zinc/29/95/02/501299502.db2.gz LFYKKTDYCNGQLE-ZWKOTPCHSA-N 0 3 351.535 3.142 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000451476403 501301086 /nfs/dbraw/zinc/30/10/86/501301086.db2.gz FPGAXKCZNYITRL-CSMYWGQOSA-N 0 3 361.873 3.476 20 30 FGEDHN Cc1cc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)ncc1C#N ZINC000457809540 501314037 /nfs/dbraw/zinc/31/40/37/501314037.db2.gz OTUOODBMLVMCOA-FQEVSTJZSA-N 0 3 366.465 3.082 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC000453463957 501339316 /nfs/dbraw/zinc/33/93/16/501339316.db2.gz KIWHUQWZYXOGQP-SFHVURJKSA-N 0 3 359.518 3.160 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453466324 501339907 /nfs/dbraw/zinc/33/99/07/501339907.db2.gz OTUROIJRCABNFK-KRWDZBQOSA-N 0 3 357.502 3.153 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccco1 ZINC000451675620 501348698 /nfs/dbraw/zinc/34/86/98/501348698.db2.gz PYIANAIYIHHVQZ-RDTXWAMCSA-N 0 3 354.454 3.076 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451695683 501352863 /nfs/dbraw/zinc/35/28/63/501352863.db2.gz NVXPKEBTIPKBTH-MHORFTMASA-N 0 3 362.539 3.134 20 30 FGEDHN CC(C)CN(Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000453610161 501361184 /nfs/dbraw/zinc/36/11/84/501361184.db2.gz IQYXTBPDRCZCEC-UHFFFAOYSA-N 0 3 362.481 3.350 20 30 FGEDHN COCCCN1CCC(NC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455701570 501368180 /nfs/dbraw/zinc/36/81/80/501368180.db2.gz JSKGNNZBJIKGOA-UHFFFAOYSA-N 0 3 364.877 3.028 20 30 FGEDHN N#Cc1ncc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000455746187 501377774 /nfs/dbraw/zinc/37/77/74/501377774.db2.gz BLOQDRNVTLCEQQ-UHFFFAOYSA-N 0 3 369.856 3.393 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)N(C)C)cc1 ZINC000455787068 501385580 /nfs/dbraw/zinc/38/55/80/501385580.db2.gz MVTYANTWQPAIGL-KRWDZBQOSA-N 0 3 357.845 3.340 20 30 FGEDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000452032793 501421414 /nfs/dbraw/zinc/42/14/14/501421414.db2.gz OEDXJUQDBLKPMH-WOJBJXKFSA-N 0 3 357.498 3.487 20 30 FGEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC[C@H](C)C1 ZINC000452057359 501426170 /nfs/dbraw/zinc/42/61/70/501426170.db2.gz GFXASZUYEKWOQS-ULQDDVLXSA-N 0 3 365.481 3.487 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)NCCc2ccc(OCCN(C)C)cc2)c1 ZINC000456005565 501436388 /nfs/dbraw/zinc/43/63/88/501436388.db2.gz PJNSXIHXKOUEQG-UHFFFAOYSA-N 0 3 366.465 3.171 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000452127353 501441919 /nfs/dbraw/zinc/44/19/19/501441919.db2.gz ZYGVNRQRVXIMAR-GOSISDBHSA-N 0 3 362.905 3.001 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000454251401 501492267 /nfs/dbraw/zinc/49/22/67/501492267.db2.gz YTFAJLRWJLKCHK-FQEVSTJZSA-N 0 3 361.489 3.202 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000459034730 501580592 /nfs/dbraw/zinc/58/05/92/501580592.db2.gz SKAWDFXTBKCXIT-MDNKFWRPSA-N 0 3 357.498 3.024 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000459153482 501605064 /nfs/dbraw/zinc/60/50/64/501605064.db2.gz NMPKTKCRINJKGZ-HXUWFJFHSA-N 0 3 354.498 3.210 20 30 FGEDHN COc1cc(F)cc(C[C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000457050884 501640894 /nfs/dbraw/zinc/64/08/94/501640894.db2.gz ADLCZPLUGGFPEK-KDOFPFPSSA-N 0 3 365.408 3.136 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000459526768 501670230 /nfs/dbraw/zinc/67/02/30/501670230.db2.gz PQVZIUIDZAYYFL-IBGZPJMESA-N 0 3 353.853 3.145 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000459577555 501680167 /nfs/dbraw/zinc/68/01/67/501680167.db2.gz GWEPEWKXBIZVNK-XJKSGUPXSA-N 0 3 369.494 3.498 20 30 FGEDHN C[C@H](CCCc1cccnc1)NCC(=O)N(CCC#N)c1ccccc1 ZINC000459633719 501690244 /nfs/dbraw/zinc/69/02/44/501690244.db2.gz DZHICPDDBSWWOZ-GOSISDBHSA-N 0 3 350.466 3.329 20 30 FGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Nc1ncccc1OCCCC#N ZINC000455164953 501700024 /nfs/dbraw/zinc/70/00/24/501700024.db2.gz JPZVFAUDMLCBNW-KRWDZBQOSA-N 0 3 373.501 3.396 20 30 FGEDHN COc1cc(CNC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)ccc1C#N ZINC000598994819 506268932 /nfs/dbraw/zinc/26/89/32/506268932.db2.gz SSYRIACXGFMHEI-LJQANCHMSA-N 0 3 371.868 3.215 20 30 FGEDHN C=CCOc1ccc(CN(CCCS(=O)(=O)N(C)C)C(C)(C)C)cc1 ZINC000474162808 501727089 /nfs/dbraw/zinc/72/70/89/501727089.db2.gz BSPOHGNDPHAUHX-UHFFFAOYSA-N 0 3 368.543 3.133 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1)C(C)C ZINC000460126249 501732588 /nfs/dbraw/zinc/73/25/88/501732588.db2.gz VIRKWMSQHZWTDF-CEXWTWQISA-N 0 3 363.546 3.284 20 30 FGEDHN CC[C@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463504805 501745215 /nfs/dbraw/zinc/74/52/15/501745215.db2.gz AIDSIXZWJZLHTF-LEWJYISDSA-N 0 3 371.525 3.434 20 30 FGEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474238714 501756064 /nfs/dbraw/zinc/75/60/64/501756064.db2.gz JDYGAKDUGNFZTG-FQEVSTJZSA-N 0 3 373.460 3.315 20 30 FGEDHN CCN(CCN1CCCCCC1)C(=O)Nc1ncccc1OCCCC#N ZINC000481392026 501760302 /nfs/dbraw/zinc/76/03/02/501760302.db2.gz NSIHZFFSOGBGQA-UHFFFAOYSA-N 0 3 373.501 3.494 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2nc3ccccc3s2)cc1 ZINC000470738860 501787422 /nfs/dbraw/zinc/78/74/22/501787422.db2.gz XVWVXWYHANDYAZ-MRXNPFEDSA-N 0 3 360.442 3.209 20 30 FGEDHN C=CCOCCCN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000470766397 501794906 /nfs/dbraw/zinc/79/49/06/501794906.db2.gz PMGBUAKZXZWLLQ-SFHVURJKSA-N 0 3 368.481 3.434 20 30 FGEDHN COc1cc(Br)c(CNCCc2cccc(C#N)c2)cc1O ZINC000467543907 501821076 /nfs/dbraw/zinc/82/10/76/501821076.db2.gz RUHVPORJYVGRME-UHFFFAOYSA-N 0 3 361.239 3.367 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470872339 501837341 /nfs/dbraw/zinc/83/73/41/501837341.db2.gz JCASICLTNKPGOZ-LJQANCHMSA-N 0 3 374.400 3.364 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000470907272 501849403 /nfs/dbraw/zinc/84/94/03/501849403.db2.gz RKSMXZIZGXECKQ-SFHVURJKSA-N 0 3 356.422 3.413 20 30 FGEDHN C=C(C)Cn1c(COCC)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000460588984 501870244 /nfs/dbraw/zinc/87/02/44/501870244.db2.gz YWDYMCPRICYMCF-IBGZPJMESA-N 0 3 369.513 3.101 20 30 FGEDHN CN(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000478102586 501881233 /nfs/dbraw/zinc/88/12/33/501881233.db2.gz OXGGNBYWKUFJMV-GFCCVEGCSA-N 0 3 355.348 3.382 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3c(F)cc(F)cc3C2)cc1 ZINC000471054074 501904091 /nfs/dbraw/zinc/90/40/91/501904091.db2.gz SSAYNWLIMJTQBG-OAHLLOKOSA-N 0 3 351.356 3.104 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3c(F)cc(F)cc3C2)cc1 ZINC000471054073 501904512 /nfs/dbraw/zinc/90/45/12/501904512.db2.gz SSAYNWLIMJTQBG-HNNXBMFYSA-N 0 3 351.356 3.104 20 30 FGEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)NCc1cccs1 ZINC000592866783 506281318 /nfs/dbraw/zinc/28/13/18/506281318.db2.gz IEQOBJNCSKAKOJ-WMZOPIPTSA-N 0 3 369.490 3.032 20 30 FGEDHN CCC1(CC)[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)[C@H]1OC ZINC000471099301 501918708 /nfs/dbraw/zinc/91/87/08/501918708.db2.gz JZOARVPOCAIGQA-ZWQIFLOQSA-N 0 3 353.466 3.196 20 30 FGEDHN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460777703 501919380 /nfs/dbraw/zinc/91/93/80/501919380.db2.gz NARDEQWBVOBQMF-IBGZPJMESA-N 0 3 369.488 3.257 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592873664 506285151 /nfs/dbraw/zinc/28/51/51/506285151.db2.gz QEYHJKHMGYVZBB-LJQANCHMSA-N 0 3 350.466 3.320 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)c3ncc(C#N)cc3Cl)c2)CC1 ZINC000474843777 501968659 /nfs/dbraw/zinc/96/86/59/501968659.db2.gz VQZOLYHVMLDMFZ-UHFFFAOYSA-N 0 3 369.856 3.001 20 30 FGEDHN C=C[C@H](CC(=O)N1CCN(c2ccncc2OC)CC1)c1ccccc1 ZINC000478481881 501996736 /nfs/dbraw/zinc/99/67/36/501996736.db2.gz QCURPTALTRLJBG-QGZVFWFLSA-N 0 3 351.450 3.099 20 30 FGEDHN N#CC(C(=O)c1ccc2c(c1)CCC(=O)N2)c1cc(C(F)(F)F)ccn1 ZINC000464470291 501999231 /nfs/dbraw/zinc/99/92/31/501999231.db2.gz VCGAOAXOJOZDGC-ZDUSSCGKSA-N 0 3 359.307 3.475 20 30 FGEDHN COc1cc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000461227688 502045928 /nfs/dbraw/zinc/04/59/28/502045928.db2.gz SDLYAUMMEUXRPJ-YWZLYKJASA-N 0 3 366.465 3.057 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1ncc(C#N)cc1Cl)C1CC1 ZINC000482478077 502081403 /nfs/dbraw/zinc/08/14/03/502081403.db2.gz NHFNXIZLABCGBR-GOSISDBHSA-N 0 3 368.868 3.247 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000475295071 502123704 /nfs/dbraw/zinc/12/37/04/502123704.db2.gz ZYQIKXQBOSHZNK-KRWDZBQOSA-N 0 3 357.498 3.078 20 30 FGEDHN Cc1cccc2[nH]cc(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)c21 ZINC000472028488 502203561 /nfs/dbraw/zinc/20/35/61/502203561.db2.gz GLKLVLMKFCYDLP-IBGZPJMESA-N 0 3 356.429 3.389 20 30 FGEDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475589674 502220684 /nfs/dbraw/zinc/22/06/84/502220684.db2.gz SYEKRUVVPPSFHI-IRXDYDNUSA-N 0 3 369.575 3.136 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000479337550 502228676 /nfs/dbraw/zinc/22/86/76/502228676.db2.gz CLBVTDYXOHSUDH-GOSISDBHSA-N 0 3 361.534 3.284 20 30 FGEDHN C=CCNC(=O)CN[C@H]1C[C@H](C)CCc2ccc(Br)cc21 ZINC000479421585 502253759 /nfs/dbraw/zinc/25/37/59/502253759.db2.gz NGFBGAOMRZLANS-WBMJQRKESA-N 0 3 351.288 3.354 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(CC2CCC2)[C@H](C)CO)c1C ZINC000483138067 502288269 /nfs/dbraw/zinc/28/82/69/502288269.db2.gz CADQJQCDDSCSJG-QGZVFWFLSA-N 0 3 357.498 3.033 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000462269933 502375119 /nfs/dbraw/zinc/37/51/19/502375119.db2.gz MYCGSEAMFADVTC-AUUYWEPGSA-N 0 3 352.413 3.339 20 30 FGEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469458477 502425568 /nfs/dbraw/zinc/42/55/68/502425568.db2.gz FZZXTOMHZXLLDT-LPHOPBHVSA-N 0 3 352.482 3.357 20 30 FGEDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000483692894 502465523 /nfs/dbraw/zinc/46/55/23/502465523.db2.gz NJCGKDKCZRSYLJ-YSIASYRMSA-N 0 3 357.498 3.486 20 30 FGEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000469712372 502511120 /nfs/dbraw/zinc/51/11/20/502511120.db2.gz IAEUAXRZAHGBRK-SNVBAGLBSA-N 0 3 354.237 3.330 20 30 FGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000476557179 502524014 /nfs/dbraw/zinc/52/40/14/502524014.db2.gz YDQLJXCOBRIDJN-LRDDRELGSA-N 0 3 358.239 3.404 20 30 FGEDHN N#Cc1ccc(N2CCN(CCCOCC(F)(F)F)CC2)cc1Cl ZINC000480438389 502569074 /nfs/dbraw/zinc/56/90/74/502569074.db2.gz ZYJJFBCCDPMQEP-UHFFFAOYSA-N 0 3 361.795 3.303 20 30 FGEDHN COc1ccc(CN2CCC(CNc3ccc(C#N)c(C)n3)CC2)cc1 ZINC000488053984 502613575 /nfs/dbraw/zinc/61/35/75/502613575.db2.gz FXHALMSZUVLFDA-UHFFFAOYSA-N 0 3 350.466 3.016 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc(C#N)c[nH]1 ZINC000473601510 502651788 /nfs/dbraw/zinc/65/17/88/502651788.db2.gz UMJYGKDWFOJFOO-IBGZPJMESA-N 0 3 350.466 3.089 20 30 FGEDHN COc1ccc(CCN(Cc2ccsc2)C(=O)C(C)C#N)cc1OC ZINC000488362522 502693547 /nfs/dbraw/zinc/69/35/47/502693547.db2.gz GVLUIEMQNKYURB-CQSZACIVSA-N 0 3 358.463 3.496 20 30 FGEDHN C[C@@H](CCc1ccsc1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488455215 502718184 /nfs/dbraw/zinc/71/81/84/502718184.db2.gz DUTGJSKUVSYRMI-HNAYVOBHSA-N 0 3 353.491 3.332 20 30 FGEDHN C=CCNc1ncc(C(=O)Nc2cccc(CN3CCCCC3)c2)s1 ZINC000474052564 502790719 /nfs/dbraw/zinc/79/07/19/502790719.db2.gz ABPNQVWLJLINRJ-UHFFFAOYSA-N 0 3 356.495 3.401 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000488817077 502818132 /nfs/dbraw/zinc/81/81/32/502818132.db2.gz MCFACSOWMTYXAG-UHFFFAOYSA-N 0 3 361.486 3.179 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc2c1OCCCO2 ZINC000582643636 506341041 /nfs/dbraw/zinc/34/10/41/506341041.db2.gz YEYHFRRUSZTKLX-QGZVFWFLSA-N 0 3 350.418 3.237 20 30 FGEDHN C=CCNC(=O)NC(=O)CNC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000505480816 502913141 /nfs/dbraw/zinc/91/31/41/502913141.db2.gz PUAAPCMXGLZVTJ-UHFFFAOYSA-N 0 3 369.387 3.076 20 30 FGEDHN C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@H](c1ccccc1)N(C)C ZINC000505587596 502942217 /nfs/dbraw/zinc/94/22/17/502942217.db2.gz NICDZHHKNAQQIW-KLHJMIIUSA-N 0 3 373.497 3.056 20 30 FGEDHN C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H](c1ccccc1)N(C)C ZINC000505587599 502942734 /nfs/dbraw/zinc/94/27/34/502942734.db2.gz NICDZHHKNAQQIW-XERREHJYSA-N 0 3 373.497 3.056 20 30 FGEDHN CN(C)CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CC1 ZINC000505659416 502961590 /nfs/dbraw/zinc/96/15/90/502961590.db2.gz KPIKXRACQGCMJC-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 ZINC000506013548 503029038 /nfs/dbraw/zinc/02/90/38/503029038.db2.gz XTNDWPHLMHPEQT-UHFFFAOYSA-N 0 3 353.441 3.353 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000506203431 503068318 /nfs/dbraw/zinc/06/83/18/503068318.db2.gz MATHWRLIHVGXGT-SJORKVTESA-N 0 3 367.415 3.427 20 30 FGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCc3ccccc3C2)CC1 ZINC000593037181 506351664 /nfs/dbraw/zinc/35/16/64/506351664.db2.gz OOAMSXHKUAEBQI-QGZVFWFLSA-N 0 3 351.494 3.208 20 30 FGEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000490048431 503098446 /nfs/dbraw/zinc/09/84/46/503098446.db2.gz VVBYRHJCKRUTLI-ICSRJNTNSA-N 0 3 374.868 3.271 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000514196838 503110834 /nfs/dbraw/zinc/11/08/34/503110834.db2.gz DJOUMTXBSGNPBN-UHFFFAOYSA-N 0 3 354.410 3.061 20 30 FGEDHN C[C@@H](C#N)CN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000514232224 503120666 /nfs/dbraw/zinc/12/06/66/503120666.db2.gz IXHMWECVAFTFDN-ZWKOTPCHSA-N 0 3 353.510 3.480 20 30 FGEDHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000514398388 503127419 /nfs/dbraw/zinc/12/74/19/503127419.db2.gz RKYOWVHFSHRGKW-CQSZACIVSA-N 0 3 353.422 3.034 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N)N(C)C ZINC000510535581 503136752 /nfs/dbraw/zinc/13/67/52/503136752.db2.gz DYZXOFYUHFQGKM-FIKGOQFSSA-N 0 3 365.477 3.442 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000498380158 503173885 /nfs/dbraw/zinc/17/38/85/503173885.db2.gz BUORJIZABBXFOH-NHCUHLMSSA-N 0 3 363.461 3.142 20 30 FGEDHN N#CC1(F)CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000510947506 503222709 /nfs/dbraw/zinc/22/27/09/503222709.db2.gz FAAJJLIGJMLCOJ-INIZCTEOSA-N 0 3 351.425 3.483 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1-c1ccccc1 ZINC000507219152 503252499 /nfs/dbraw/zinc/25/24/99/503252499.db2.gz NMTOCCMFSVJODP-INIZCTEOSA-N 0 3 351.450 3.186 20 30 FGEDHN Cc1[nH]ncc1CN(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000602945283 506360578 /nfs/dbraw/zinc/36/05/78/506360578.db2.gz ZKBYKSCWCCTKAB-CYBMUJFWSA-N 0 3 357.483 3.183 20 30 FGEDHN CC(C)C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N(C)C ZINC000511106792 503256690 /nfs/dbraw/zinc/25/66/90/503256690.db2.gz DGYHORFNNMHOJL-GOSISDBHSA-N 0 3 366.465 3.452 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCC[C@@H]2CCO)c1C#N ZINC000502855147 503289646 /nfs/dbraw/zinc/28/96/46/503289646.db2.gz JPSSBWQANFKPDT-APWZRJJASA-N 0 3 372.513 3.171 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1C ZINC000498922725 503294053 /nfs/dbraw/zinc/29/40/53/503294053.db2.gz CVZUSRMFXKEGHQ-HOTGVXAUSA-N 0 3 362.905 3.001 20 30 FGEDHN N#CCCC1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000515348630 503320773 /nfs/dbraw/zinc/32/07/73/503320773.db2.gz GBUCAKCBDLQQSY-UHFFFAOYSA-N 0 3 368.525 3.419 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000511443098 503323438 /nfs/dbraw/zinc/32/34/38/503323438.db2.gz UPSMCAYWNAQWRP-SFHVURJKSA-N 0 3 361.461 3.161 20 30 FGEDHN CC1(C)C[C@@H](NC[C@@H](O)COc2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000515832178 503408633 /nfs/dbraw/zinc/40/86/33/503408633.db2.gz MRNWWEJDGXCVOY-VQIMIIECSA-N 0 3 370.424 3.329 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cccc(NC(=O)c3cccnc3)c2)nc(C)n1 ZINC000503550360 503435295 /nfs/dbraw/zinc/43/52/95/503435295.db2.gz GBCBQYUHDTZCMD-SFHVURJKSA-N 0 3 371.400 3.231 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCC[C@]2(C)CO)c1 ZINC000493705544 503441301 /nfs/dbraw/zinc/44/13/01/503441301.db2.gz JKTKRTXCHXTRSE-HFSMHLIXSA-N 0 3 357.498 3.079 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@]2(C)CCO[C@H]2C)c1C#N ZINC000494234419 503509200 /nfs/dbraw/zinc/50/92/00/503509200.db2.gz PIPPIRVDKWXSKS-HRAATJIYSA-N 0 3 366.465 3.061 20 30 FGEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000508885019 503588547 /nfs/dbraw/zinc/58/85/47/503588547.db2.gz LPMMHVZDVCMFOO-UHFFFAOYSA-N 0 3 357.527 3.181 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508907195 503597451 /nfs/dbraw/zinc/59/74/51/503597451.db2.gz LBKUJMYHMHYAAQ-GOSISDBHSA-N 0 3 373.932 3.485 20 30 FGEDHN C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512635781 503600266 /nfs/dbraw/zinc/60/02/66/503600266.db2.gz IINMZHUCODCCNJ-KSSFIOAISA-N 0 3 359.470 3.483 20 30 FGEDHN C[C@@H](N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(C#N)cc1F ZINC000512647717 503602214 /nfs/dbraw/zinc/60/22/14/503602214.db2.gz JHHLRDBVAQOKAI-XLIONFOSSA-N 0 3 367.468 3.291 20 30 FGEDHN Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@@H](C)C#N)CC1 ZINC000546256301 503688607 /nfs/dbraw/zinc/68/86/07/503688607.db2.gz VCMXPFJISNWRTA-LBPRGKRZSA-N 0 3 364.287 3.111 20 30 FGEDHN N#CCC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000533048154 503713067 /nfs/dbraw/zinc/71/30/67/503713067.db2.gz LKISCXOSKOPXEK-RTWAWAEBSA-N 0 3 362.477 3.455 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ncc(-c3ccccc3)o2)CC1 ZINC000517318044 503713052 /nfs/dbraw/zinc/71/30/52/503713052.db2.gz DNAWHPQBZCJKOY-UHFFFAOYSA-N 0 3 354.454 3.181 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CNC(C)(C)C(C)(C)O)c1C#N ZINC000536996607 503773397 /nfs/dbraw/zinc/77/33/97/503773397.db2.gz RGHAOEUDYZNRRS-UHFFFAOYSA-N 0 3 368.481 3.043 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000540458068 503777227 /nfs/dbraw/zinc/77/72/27/503777227.db2.gz MHWIIWJBWDPGSO-IEBWSBKVSA-N 0 3 365.477 3.287 20 30 FGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000537047441 503788781 /nfs/dbraw/zinc/78/87/81/503788781.db2.gz MDFZMWPZDAEIJV-RBBKRZOGSA-N 0 3 370.541 3.008 20 30 FGEDHN COc1cc(CN2CCN(C)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000533441734 503847765 /nfs/dbraw/zinc/84/77/65/503847765.db2.gz XLLRWFVYNGKMKI-QGZVFWFLSA-N 0 3 365.477 3.282 20 30 FGEDHN CC1(C)C[C@H](NC[C@@H](O)COc2ccccc2C#N)c2ccc(F)cc2O1 ZINC000530230880 503883320 /nfs/dbraw/zinc/88/33/20/503883320.db2.gz CXYCFSBPBHMVNW-AEFFLSMTSA-N 0 3 370.424 3.329 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@H](C)N2CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000518052537 503898941 /nfs/dbraw/zinc/89/89/41/503898941.db2.gz OTCIRDDCQKFCQI-KBPBESRZSA-N 0 3 374.554 3.207 20 30 FGEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)OCC ZINC000533715779 503932260 /nfs/dbraw/zinc/93/22/60/503932260.db2.gz PRULOEIJEGPDEQ-SFHVURJKSA-N 0 3 354.441 3.226 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000530525269 503998326 /nfs/dbraw/zinc/99/83/26/503998326.db2.gz OGBHJWFBOQDRFK-OALUTQOASA-N 0 3 366.427 3.290 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(c2cccc(F)c2)CCCCC1 ZINC000518732362 504050223 /nfs/dbraw/zinc/05/02/23/504050223.db2.gz JUZIKWVAJRPLIU-OAHLLOKOSA-N 0 3 361.461 3.018 20 30 FGEDHN CC(C)(O)CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000530699185 504056911 /nfs/dbraw/zinc/05/69/11/504056911.db2.gz CSQOIFJRRPNCRW-UHFFFAOYSA-N 0 3 355.400 3.309 20 30 FGEDHN CC[C@H](CNCc1cnc2c(C#N)cnn2c1)Oc1cccc(Cl)c1 ZINC000518771220 504059473 /nfs/dbraw/zinc/05/94/73/504059473.db2.gz LUJLSXRBIIPQHM-MRXNPFEDSA-N 0 3 355.829 3.202 20 30 FGEDHN CC(C)n1ccc(C[C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000541255495 504062789 /nfs/dbraw/zinc/06/27/89/504062789.db2.gz NFNYOMCCQHNYTL-UZLBHIALSA-N 0 3 365.481 3.052 20 30 FGEDHN COc1cc([C@@H](C)NCCC(=O)N(C)CCC#N)ccc1OC1CCCC1 ZINC000538150419 504146059 /nfs/dbraw/zinc/14/60/59/504146059.db2.gz KEFVFNAERNHTMN-MRXNPFEDSA-N 0 3 373.497 3.429 20 30 FGEDHN COc1cc([C@H](C)NCCC(=O)N(C)CCC#N)ccc1OC1CCCC1 ZINC000538150417 504147010 /nfs/dbraw/zinc/14/70/10/504147010.db2.gz KEFVFNAERNHTMN-INIZCTEOSA-N 0 3 373.497 3.429 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528293687 504153682 /nfs/dbraw/zinc/15/36/82/504153682.db2.gz INAWSXFSPOSDOL-UYAOXDASSA-N 0 3 352.482 3.252 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccccc2C#N)cc1 ZINC000528345537 504179467 /nfs/dbraw/zinc/17/94/67/504179467.db2.gz JUYMYROJXHKCJW-ICSRJNTNSA-N 0 3 352.434 3.144 20 30 FGEDHN Cc1cc([C@H](NC[C@@H](O)COc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000538322662 504207080 /nfs/dbraw/zinc/20/70/80/504207080.db2.gz DXUZJKQWONHNME-WIYYLYMNSA-N 0 3 354.425 3.486 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2CCCOC2)ccc1Cl ZINC000541647051 504209864 /nfs/dbraw/zinc/20/98/64/504209864.db2.gz CSRZCPKLVDGQHF-CVEARBPZSA-N 0 3 363.889 3.300 20 30 FGEDHN OC[C@@H]1CCC2(CCOCC2)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000528636717 504304437 /nfs/dbraw/zinc/30/44/37/504304437.db2.gz DXPFTVMNJCEPIM-SFHVURJKSA-N 0 3 367.411 3.310 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000531450703 504311527 /nfs/dbraw/zinc/31/15/27/504311527.db2.gz CPYGLJXAGYKBHV-JEWRLFTDSA-N 0 3 355.482 3.260 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](CO)C2CCCCC2)c1 ZINC000541984560 504324115 /nfs/dbraw/zinc/32/41/15/504324115.db2.gz OZMAZZSFTMZBLT-HXUWFJFHSA-N 0 3 357.498 3.081 20 30 FGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000528753376 504364004 /nfs/dbraw/zinc/36/40/04/504364004.db2.gz BJAUAEZABCFUKJ-SJBDTSRBSA-N 0 3 361.511 3.229 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1cnn(C2CC2)c1 ZINC000528916848 504448522 /nfs/dbraw/zinc/44/85/22/504448522.db2.gz FYWZULTUKWVXJZ-ZDUSSCGKSA-N 0 3 372.812 3.150 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000520259488 504449224 /nfs/dbraw/zinc/44/92/24/504449224.db2.gz IKOPSXATDPQOTK-MRXNPFEDSA-N 0 3 371.506 3.264 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000542577984 504545277 /nfs/dbraw/zinc/54/52/77/504545277.db2.gz XHKHELVETOQPSG-BZUAXINKSA-N 0 3 361.511 3.282 20 30 FGEDHN C=CCN(CC=C)[C@H](CNc1nc(C(F)(F)F)nc2nc[nH]c21)C(C)C ZINC000536012748 504606854 /nfs/dbraw/zinc/60/68/54/504606854.db2.gz OSAWYIFWQWJNFK-GFCCVEGCSA-N 0 3 368.407 3.434 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cccc(-n4cccn4)c3)C2=O)cc1 ZINC000542800346 504614497 /nfs/dbraw/zinc/61/44/97/504614497.db2.gz AMMAKRNWEXVTGQ-OAQYLSRUSA-N 0 3 371.444 3.029 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000546002412 504670974 /nfs/dbraw/zinc/67/09/74/504670974.db2.gz HPQDOGADJXDBLY-OAHLLOKOSA-N 0 3 352.438 3.209 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000539784763 504685041 /nfs/dbraw/zinc/68/50/41/504685041.db2.gz TVKNKGSOLDVSFK-UHFFFAOYSA-N 0 3 366.852 3.287 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000521537211 504754500 /nfs/dbraw/zinc/75/45/00/504754500.db2.gz ISAUPVGXJQNTMI-NSHDSACASA-N 0 3 372.296 3.261 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000565148876 504807958 /nfs/dbraw/zinc/80/79/58/504807958.db2.gz XTJQLKMJUDOZED-FOIQADDNSA-N 0 3 351.450 3.265 20 30 FGEDHN C[C@]1(NC(=O)NCCc2cccc(C#N)c2)CCN(Cc2ccccc2)C1 ZINC000565429172 504885053 /nfs/dbraw/zinc/88/50/53/504885053.db2.gz WACRQAOWKOAHRW-QFIPXVFZSA-N 0 3 362.477 3.065 20 30 FGEDHN CN(CCCN(C)C(=O)[C@H](C#N)CCc1ccccc1)Cc1ccco1 ZINC000553405044 504905773 /nfs/dbraw/zinc/90/57/73/504905773.db2.gz YYBXEYWTHMWGGN-IBGZPJMESA-N 0 3 353.466 3.332 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(c3ccccc3F)CC2)CC1 ZINC000553529415 504941710 /nfs/dbraw/zinc/94/17/10/504941710.db2.gz YCDCZFCVWNKOQB-UHFFFAOYSA-N 0 3 374.504 3.088 20 30 FGEDHN C[C@]1(CNC(=O)NCc2ccc(C#N)s2)CCCN1Cc1ccccc1 ZINC000562930761 504991613 /nfs/dbraw/zinc/99/16/13/504991613.db2.gz MHYPFQUBHFEIRH-HXUWFJFHSA-N 0 3 368.506 3.474 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(O[C@@H]3CCOC3)CC2)ccc1OC ZINC000556900860 505011311 /nfs/dbraw/zinc/01/13/11/505011311.db2.gz JECHVZSZKKZZRK-LJQANCHMSA-N 0 3 361.482 3.420 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(CC#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000563049700 505034143 /nfs/dbraw/zinc/03/41/43/505034143.db2.gz ZJXJPSQQOMMLSZ-OXQOHEQNSA-N 0 3 350.466 3.243 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)c1ccccc1 ZINC000557122477 505071276 /nfs/dbraw/zinc/07/12/76/505071276.db2.gz SGAPOJLSDQNVFC-AZUAARDMSA-N 0 3 371.525 3.047 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]2CN(C)C[C@H]21 ZINC000566139006 505094419 /nfs/dbraw/zinc/09/44/19/505094419.db2.gz YARMOEQPXYYDDA-XYJFISCASA-N 0 3 372.538 3.045 20 30 FGEDHN N#Cc1cscc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000557224998 505095520 /nfs/dbraw/zinc/09/55/20/505095520.db2.gz GOMKOFYOOWTSEE-FUHWJXTLSA-N 0 3 351.475 3.214 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000560509834 505108954 /nfs/dbraw/zinc/10/89/54/505108954.db2.gz JVXVAWKXVCDTEJ-QGZVFWFLSA-N 0 3 364.367 3.301 20 30 FGEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000550830871 505110875 /nfs/dbraw/zinc/11/08/75/505110875.db2.gz JPZAXMKAVLLUON-BEFAXECRSA-N 0 3 357.479 3.420 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1C#N ZINC000557465870 505141956 /nfs/dbraw/zinc/14/19/56/505141956.db2.gz HYCFKPAWAOQJKF-HNNXBMFYSA-N 0 3 370.522 3.253 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000563485377 505153177 /nfs/dbraw/zinc/15/31/77/505153177.db2.gz SEDHHUQQOVIASI-LJQANCHMSA-N 0 3 364.497 3.169 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cscc2C#N)N(C)C)cc1 ZINC000560649674 505153419 /nfs/dbraw/zinc/15/34/19/505153419.db2.gz RUNAZUVLQMUAQC-GOSISDBHSA-N 0 3 357.479 3.440 20 30 FGEDHN N#C[C@]1(C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC12CCCC2 ZINC000566403373 505165522 /nfs/dbraw/zinc/16/55/22/505165522.db2.gz LADLOYUUXPGGCC-QFIPXVFZSA-N 0 3 360.461 3.357 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000561259168 505296375 /nfs/dbraw/zinc/29/63/75/505296375.db2.gz LWRAPVGTIJJJMG-NVXWUHKLSA-N 0 3 354.372 3.065 20 30 FGEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1ccc(Br)c(C)c1 ZINC000554958343 505311518 /nfs/dbraw/zinc/31/15/18/505311518.db2.gz BUQMHJBBXMPKDV-UHFFFAOYSA-N 0 3 366.303 3.344 20 30 FGEDHN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000552040772 505378532 /nfs/dbraw/zinc/37/85/32/505378532.db2.gz WYZMQACJVWHDOU-ZDUSSCGKSA-N 0 3 374.322 3.334 20 30 FGEDHN N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1nccc2ccccc21 ZINC000552112100 505403992 /nfs/dbraw/zinc/40/39/92/505403992.db2.gz KJSXLTFUMUVAPQ-GOSISDBHSA-N 0 3 353.385 3.365 20 30 FGEDHN N#CC(C(=O)c1cnnn1Cc1ccccc1)c1nccc2ccccc21 ZINC000552112100 505403997 /nfs/dbraw/zinc/40/39/97/505403997.db2.gz KJSXLTFUMUVAPQ-GOSISDBHSA-N 0 3 353.385 3.365 20 30 FGEDHN C=CCOc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000552147035 505414675 /nfs/dbraw/zinc/41/46/75/505414675.db2.gz JONOPUQKTQXIPQ-RTBURBONSA-N 0 3 351.874 3.315 20 30 FGEDHN Cc1ccc(NS(=O)(=O)Cc2ccc(CC#N)cc2)c(CN(C)C)c1 ZINC000567352543 505438988 /nfs/dbraw/zinc/43/89/88/505438988.db2.gz DZQSBHIXUWJFHT-UHFFFAOYSA-N 0 3 357.479 3.065 20 30 FGEDHN Cc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)ccc1-n1cncn1 ZINC000561971076 505481230 /nfs/dbraw/zinc/48/12/30/505481230.db2.gz WSLLBSYVPYWJFN-UHFFFAOYSA-N 0 3 374.492 3.011 20 30 FGEDHN C[C@H]1CCc2ccccc2[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000564851293 505539885 /nfs/dbraw/zinc/53/98/85/505539885.db2.gz JITSCPLHZCIHKN-YWZLYKJASA-N 0 3 354.475 3.245 20 30 FGEDHN COc1cncc(/C=C\CCN2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000564910319 505555747 /nfs/dbraw/zinc/55/57/47/505555747.db2.gz LPPCMXWWNNECQG-RQOWECAXSA-N 0 3 362.477 3.183 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564962060 505563554 /nfs/dbraw/zinc/56/35/54/505563554.db2.gz AUHOXFOHUNXUBF-HKUYNNGSSA-N 0 3 359.539 3.392 20 30 FGEDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599250860 506385905 /nfs/dbraw/zinc/38/59/05/506385905.db2.gz BEKOAXXREPNKRN-QGZVFWFLSA-N 0 3 364.367 3.449 20 30 FGEDHN CN(Cc1ccc(Br)s1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599259521 506387931 /nfs/dbraw/zinc/38/79/31/506387931.db2.gz LMZPRLMKPIEJEB-LBPRGKRZSA-N 0 3 373.316 3.014 20 30 FGEDHN Cc1nc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c(Cl)cc1C#N ZINC000596422805 506398729 /nfs/dbraw/zinc/39/87/29/506398729.db2.gz GZSVAPGFVCEJQW-KRWDZBQOSA-N 0 3 356.857 3.094 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1cccc(OC)c1 ZINC000612098307 506434005 /nfs/dbraw/zinc/43/40/05/506434005.db2.gz LCZJGLUHGRFREX-TZIWHRDSSA-N 0 3 372.513 3.413 20 30 FGEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@H](O)COc1ccccc1C#N ZINC000599440550 506457774 /nfs/dbraw/zinc/45/77/74/506457774.db2.gz VGJOHORFTLKOEF-INIZCTEOSA-N 0 3 374.868 3.485 20 30 FGEDHN N#CC1(C[C@H](O)CN2CC3(CC=CC3)[C@H]2c2ccccc2)CCOCC1 ZINC000599451122 506461729 /nfs/dbraw/zinc/46/17/29/506461729.db2.gz AXGRBAWLNHIMDJ-VQTJNVASSA-N 0 3 352.478 3.451 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)cc1F ZINC000599468921 506466025 /nfs/dbraw/zinc/46/60/25/506466025.db2.gz AMTIOCKMBCQOHS-WMZOPIPTSA-N 0 3 362.445 3.043 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)c1ccco1 ZINC000596599375 506482845 /nfs/dbraw/zinc/48/28/45/506482845.db2.gz VKYANJRHPXVFSF-QAPCUYQASA-N 0 3 354.454 3.122 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000582923093 506490162 /nfs/dbraw/zinc/49/01/62/506490162.db2.gz DBSLYFUJCCGFGC-UHFFFAOYSA-N 0 3 366.412 3.499 20 30 FGEDHN Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C[C@H](O)CN(C)C1CC1 ZINC000589256250 506499318 /nfs/dbraw/zinc/49/93/18/506499318.db2.gz YCEXCCHGQMHCDU-OAQYLSRUSA-N 0 3 367.468 3.468 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000599570050 506504783 /nfs/dbraw/zinc/50/47/83/506504783.db2.gz SSMDBEDNUXRNJS-GHTZIAJQSA-N 0 3 351.450 3.018 20 30 FGEDHN N#Cc1ccc(CNCCCN2CCCCCC2=O)c(C(F)(F)F)c1 ZINC000589309144 506512898 /nfs/dbraw/zinc/51/28/98/506512898.db2.gz HQSYENLUUAWITA-UHFFFAOYSA-N 0 3 353.388 3.459 20 30 FGEDHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000582968268 506514461 /nfs/dbraw/zinc/51/44/61/506514461.db2.gz PRDIYYLCUUNBIG-IFXJQAMLSA-N 0 3 374.529 3.417 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590854 506517395 /nfs/dbraw/zinc/51/73/95/506517395.db2.gz RPYFXVHGDGJZMB-YJBOKZPZSA-N 0 3 371.481 3.187 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000596683190 506534248 /nfs/dbraw/zinc/53/42/48/506534248.db2.gz IUHRZTCEHSKIGL-QGZVFWFLSA-N 0 3 365.437 3.351 20 30 FGEDHN C/C=C\c1ccc(OC[C@H](O)CNCc2ccc(C#N)cc2)c(OC)c1 ZINC000583019863 506544001 /nfs/dbraw/zinc/54/40/01/506544001.db2.gz OROJVULJURTMGD-ZRHASKPBSA-N 0 3 352.434 3.129 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000599657762 506558138 /nfs/dbraw/zinc/55/81/38/506558138.db2.gz LLZLMMUQLMFOFD-LAUBAEHRSA-N 0 3 358.530 3.013 20 30 FGEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(CN(C)C)cc1 ZINC000599662032 506561631 /nfs/dbraw/zinc/56/16/31/506561631.db2.gz WPSKCVMVZDRQJS-UHFFFAOYSA-N 0 3 368.481 3.290 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)c1ccco1 ZINC000593404780 506601868 /nfs/dbraw/zinc/60/18/68/506601868.db2.gz YSMHTOBHNTVFJL-KSSFIOAISA-N 0 3 352.438 3.306 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC1(C#N)CCCC1 ZINC000593427144 506613684 /nfs/dbraw/zinc/61/36/84/506613684.db2.gz NGPFTENLGMQFOV-GOSISDBHSA-N 0 3 354.498 3.376 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000603875056 506644797 /nfs/dbraw/zinc/64/47/97/506644797.db2.gz WQCRZJDRXAUYOU-INIZCTEOSA-N 0 3 367.449 3.334 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(F)(F)C(C)(C)C)cc1 ZINC000596877439 506651492 /nfs/dbraw/zinc/65/14/92/506651492.db2.gz SHKOMYOCEWWFBH-LLVKDONJSA-N 0 3 373.425 3.175 20 30 FGEDHN COc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(F)cc1C#N ZINC000599814053 506651951 /nfs/dbraw/zinc/65/19/51/506651951.db2.gz SFHLPIBCIFQPCC-VQIMIIECSA-N 0 3 368.412 3.273 20 30 FGEDHN COc1cc(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c(F)cc1C#N ZINC000599817399 506653897 /nfs/dbraw/zinc/65/38/97/506653897.db2.gz MHKTWVFJJUJOEV-GOSISDBHSA-N 0 3 370.428 3.439 20 30 FGEDHN COc1cc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c(F)cc1C#N ZINC000599819507 506655311 /nfs/dbraw/zinc/65/53/11/506655311.db2.gz JXQGTDBJBGHWJN-QGZVFWFLSA-N 0 3 356.401 3.130 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000596928637 506682121 /nfs/dbraw/zinc/68/21/21/506682121.db2.gz YLNYCHJQBBSIJX-UHFFFAOYSA-N 0 3 363.465 3.295 20 30 FGEDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000593582590 506692859 /nfs/dbraw/zinc/69/28/59/506692859.db2.gz UFPCCCPTZWVNDC-GOSISDBHSA-N 0 3 365.543 3.132 20 30 FGEDHN CCN(CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1CC1 ZINC000608795365 506711423 /nfs/dbraw/zinc/71/14/23/506711423.db2.gz ZYWJPVUZIICJMT-UHFFFAOYSA-N 0 3 365.437 3.351 20 30 FGEDHN N#Cc1csc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000593669494 506721226 /nfs/dbraw/zinc/72/12/26/506721226.db2.gz QWNQFKSQAMRZRQ-UXHICEINSA-N 0 3 353.491 3.095 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)N2CC[C@@](F)(C#N)C2)N(CC)CC)cc1 ZINC000590100134 506734529 /nfs/dbraw/zinc/73/45/29/506734529.db2.gz INOMFHRFSCEXGQ-AZUAARDMSA-N 0 3 360.477 3.279 20 30 FGEDHN COc1cc(C)nc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593692654 506735036 /nfs/dbraw/zinc/73/50/36/506735036.db2.gz HZEJZMWCZPCULR-UHFFFAOYSA-N 0 3 350.466 3.025 20 30 FGEDHN CC[C@H](C#N)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000593738163 506753917 /nfs/dbraw/zinc/75/39/17/506753917.db2.gz OJZILESBMTXCCE-MRXNPFEDSA-N 0 3 374.916 3.003 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@H]2CCC[C@H]2C(=O)OC)cc1OC ZINC000600162267 506815232 /nfs/dbraw/zinc/81/52/32/506815232.db2.gz QSSQFXVJRBUNKP-HIFRSBDPSA-N 0 3 353.846 3.345 20 30 FGEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000600178618 506824182 /nfs/dbraw/zinc/82/41/82/506824182.db2.gz MHSMBKPNGARQNF-HXUWFJFHSA-N 0 3 363.461 3.190 20 30 FGEDHN COC(=O)[C@H]1C[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597221134 506844622 /nfs/dbraw/zinc/84/46/22/506844622.db2.gz NKPPEIXFTCGXDH-KDURUIRLSA-N 0 3 350.418 3.178 20 30 FGEDHN N#Cc1ccc(NCC(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 ZINC000604484980 506844966 /nfs/dbraw/zinc/84/49/66/506844966.db2.gz CBHBHIZZKMBKNJ-UHFFFAOYSA-N 0 3 374.488 3.019 20 30 FGEDHN C=CCOc1ccc(CNC[C@]2(COC)OCCc3ccccc32)cc1 ZINC000583623669 506881981 /nfs/dbraw/zinc/88/19/81/506881981.db2.gz XCWTZOZFVSGUEH-JOCHJYFZSA-N 0 3 353.462 3.456 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1C#N ZINC000594083524 506931366 /nfs/dbraw/zinc/93/13/66/506931366.db2.gz KDTXUFXMTLMNQO-ZWKOTPCHSA-N 0 3 356.470 3.484 20 30 FGEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1Cl ZINC000609595882 506938072 /nfs/dbraw/zinc/93/80/72/506938072.db2.gz LMOYFLZWDHWMOU-QFBILLFUSA-N 0 3 368.868 3.328 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609664516 506966990 /nfs/dbraw/zinc/96/69/90/506966990.db2.gz MVVKIDDIYNAEPW-KRWDZBQOSA-N 0 3 364.449 3.159 20 30 FGEDHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000613213058 506975304 /nfs/dbraw/zinc/97/53/04/506975304.db2.gz NSJFHCFWJHGYBD-WWMYMODYSA-N 0 3 362.477 3.439 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594198945 507002922 /nfs/dbraw/zinc/00/29/22/507002922.db2.gz WBMSUTDINZZUQT-VQTJNVASSA-N 0 3 355.482 3.240 20 30 FGEDHN C[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCCC[C@H]1C ZINC000594209868 507011652 /nfs/dbraw/zinc/01/16/52/507011652.db2.gz XJDQTFPKVNKBBN-SJORKVTESA-N 0 3 354.498 3.500 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C#N)cc1F ZINC000590923200 507029734 /nfs/dbraw/zinc/02/97/34/507029734.db2.gz PMGQOSFPQKTSQJ-UHFFFAOYSA-N 0 3 360.458 3.032 20 30 FGEDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609876750 507035502 /nfs/dbraw/zinc/03/55/02/507035502.db2.gz FJXJCIIUABPKGD-SFHVURJKSA-N 0 3 364.449 3.350 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCCOC[C@H]3C)sc2C1 ZINC000591020006 507080569 /nfs/dbraw/zinc/08/05/69/507080569.db2.gz XXGJHJQVJVHXIP-ZIAGYGMSSA-N 0 3 361.511 3.184 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000600720651 507082341 /nfs/dbraw/zinc/08/23/41/507082341.db2.gz INKYSAMQWZXMAH-LJQANCHMSA-N 0 3 355.482 3.350 20 30 FGEDHN Cc1ccncc1[C@@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000591026629 507083275 /nfs/dbraw/zinc/08/32/75/507083275.db2.gz MOKUQKARGHWAOW-CYBMUJFWSA-N 0 3 354.479 3.491 20 30 FGEDHN CC[C@@H](CCc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000600762981 507107202 /nfs/dbraw/zinc/10/72/02/507107202.db2.gz OESXRVOYPHADRB-IBGZPJMESA-N 0 3 356.491 3.333 20 30 FGEDHN COc1ccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cc1Br ZINC000594424919 507125944 /nfs/dbraw/zinc/12/59/44/507125944.db2.gz DQQKSHBUNFDFKB-SMDDNHRTSA-N 0 3 368.275 3.046 20 30 FGEDHN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594439384 507132858 /nfs/dbraw/zinc/13/28/58/507132858.db2.gz VEVLXKLSIGXQAE-SFHVURJKSA-N 0 3 371.510 3.125 20 30 FGEDHN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@H](N)CCCCC#N ZINC000594444165 507136963 /nfs/dbraw/zinc/13/69/63/507136963.db2.gz YOLOOCAIZKFBHV-CQSZACIVSA-N 0 3 372.694 3.472 20 30 FGEDHN CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594446291 507136988 /nfs/dbraw/zinc/13/69/88/507136988.db2.gz PCJLLOGJGGJHRW-QGZVFWFLSA-N 0 3 367.497 3.173 20 30 FGEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OCC1CCOCC1 ZINC000594447856 507139458 /nfs/dbraw/zinc/13/94/58/507139458.db2.gz WBCWOKKBLAJQRE-SFHVURJKSA-N 0 3 359.470 3.150 20 30 FGEDHN CC(C)(C#N)c1ccc(CNC[C@@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000594497809 507154973 /nfs/dbraw/zinc/15/49/73/507154973.db2.gz GWCFIHOBCAISAE-MRXNPFEDSA-N 0 3 360.404 3.295 20 30 FGEDHN N#Cc1cnc2c(F)ccc(F)c2c1N1CCN(c2ccncc2)CC1 ZINC000610245199 507157460 /nfs/dbraw/zinc/15/74/60/507157460.db2.gz HCCCJFMEGWXUGY-UHFFFAOYSA-N 0 3 351.360 3.106 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000594511828 507163668 /nfs/dbraw/zinc/16/36/68/507163668.db2.gz QODFCERRSBWQPC-JOCHJYFZSA-N 0 3 374.488 3.066 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000597904743 507164655 /nfs/dbraw/zinc/16/46/55/507164655.db2.gz STQZFYLNYOFBDN-ZWKOTPCHSA-N 0 3 361.436 3.296 20 30 FGEDHN C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000594552024 507181218 /nfs/dbraw/zinc/18/12/18/507181218.db2.gz XBHCXFOBABHNAJ-XKQJLSEDSA-N 0 3 372.538 3.042 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000591360318 507218321 /nfs/dbraw/zinc/21/83/21/507218321.db2.gz KSMFBWJXZMJPTM-NHCUHLMSSA-N 0 3 360.461 3.271 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)C1(C#N)CC3(CC3)C1)c1ccccc1O2 ZINC000600996097 507219202 /nfs/dbraw/zinc/21/92/02/507219202.db2.gz SLPDDQNQCMOUPY-KRWDZBQOSA-N 0 3 365.477 3.175 20 30 FGEDHN CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCN(CC)C1 ZINC000598041836 507229419 /nfs/dbraw/zinc/22/94/19/507229419.db2.gz NQEPVRUSNRKGHE-QGZVFWFLSA-N 0 3 367.449 3.287 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610406596 507229842 /nfs/dbraw/zinc/22/98/42/507229842.db2.gz FOPPEWVFHJHKTQ-KRWDZBQOSA-N 0 3 350.466 3.393 20 30 FGEDHN C[C@@H]1CN(CCCCNc2cccc(-n3cccn3)c2C#N)C[C@@H](C)O1 ZINC000584241947 507234269 /nfs/dbraw/zinc/23/42/69/507234269.db2.gz ALTVRWSAYWMZSB-IAGOWNOFSA-N 0 3 353.470 3.045 20 30 FGEDHN CCN(C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000610538447 507281202 /nfs/dbraw/zinc/28/12/02/507281202.db2.gz QWKDTBJUQCJYMH-UZLBHIALSA-N 0 3 354.450 3.281 20 30 FGEDHN Cc1cccc(C)c1OC[C@H](O)CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594919030 507314042 /nfs/dbraw/zinc/31/40/42/507314042.db2.gz VTZHGEWVEPHODT-HXUWFJFHSA-N 0 3 350.462 3.388 20 30 FGEDHN COc1cc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)ccc1OCCO ZINC000594920647 507315724 /nfs/dbraw/zinc/31/57/24/507315724.db2.gz BAFWPKPNYZXMEW-MRXNPFEDSA-N 0 3 366.461 3.472 20 30 FGEDHN N#CC1(c2ccc(CN[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)CC1 ZINC000594935385 507320315 /nfs/dbraw/zinc/32/03/15/507320315.db2.gz ONLUCVHODJUBLR-MRXNPFEDSA-N 0 3 367.399 3.415 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000584406161 507329466 /nfs/dbraw/zinc/32/94/66/507329466.db2.gz SSYCTLXBHCEYCK-HKUYNNGSSA-N 0 3 372.465 3.397 20 30 FGEDHN CO[C@@H](CNCc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCOC1 ZINC000594952602 507330042 /nfs/dbraw/zinc/33/00/42/507330042.db2.gz PSTSVMUDLIWNRI-IRLDBZIGSA-N 0 3 366.461 3.278 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000614016866 507335257 /nfs/dbraw/zinc/33/52/57/507335257.db2.gz YDTAHNKTVJPUNQ-FPOVZHCZSA-N 0 3 354.498 3.232 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@H](CO)c3ccc(F)cc3F)CC2)cc1 ZINC000594995572 507346728 /nfs/dbraw/zinc/34/67/28/507346728.db2.gz NMTBEFIUUZULHZ-OAQYLSRUSA-N 0 3 371.431 3.124 20 30 FGEDHN N#CCc1ccccc1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000601575438 507392198 /nfs/dbraw/zinc/39/21/98/507392198.db2.gz PYERWIKYWSOVAK-QHCPKHFHSA-N 0 3 359.473 3.491 20 30 FGEDHN N#Cc1cnc2c(Cl)cccc2c1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000591897011 507402035 /nfs/dbraw/zinc/40/20/35/507402035.db2.gz WSWSRYGCVDKBBV-INIZCTEOSA-N 0 3 370.884 3.451 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)CSc1ccc(C#N)cc1 ZINC000601623236 507406269 /nfs/dbraw/zinc/40/62/69/507406269.db2.gz YZSQFALTFFLZBJ-UHFFFAOYSA-N 0 3 355.463 3.359 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc(CC(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC000591912721 507407326 /nfs/dbraw/zinc/40/73/26/507407326.db2.gz TUFKWRYQPQZIQB-UHFFFAOYSA-N 0 3 361.442 3.153 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCOCC3(CCCC3)C2)cc1Cl ZINC000614222682 507411663 /nfs/dbraw/zinc/41/16/63/507411663.db2.gz XNOLSUACXFMPEQ-UHFFFAOYSA-N 0 3 361.873 3.433 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(Cc3nccs3)CC2)cc1 ZINC000601743761 507446077 /nfs/dbraw/zinc/44/60/77/507446077.db2.gz SDWBNQYVWMMMLW-SFHVURJKSA-N 0 3 364.474 3.178 20 30 FGEDHN N#Cc1ccc(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000595286277 507448999 /nfs/dbraw/zinc/44/89/99/507448999.db2.gz GSJUARXNSYULJD-UHFFFAOYSA-N 0 3 351.425 3.134 20 30 FGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000584690101 507451871 /nfs/dbraw/zinc/45/18/71/507451871.db2.gz UUQQSUQRFZABPQ-RTFZILSDSA-N 0 3 361.489 3.425 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000610982793 507465386 /nfs/dbraw/zinc/46/53/86/507465386.db2.gz QEJLJBLJWWKJSW-LJQANCHMSA-N 0 3 354.425 3.300 20 30 FGEDHN C=CCCCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000584729501 507473339 /nfs/dbraw/zinc/47/33/39/507473339.db2.gz AWEZGHIBTZLXSJ-ICSRJNTNSA-N 0 3 371.525 3.018 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1c1ccccc1 ZINC000598625728 507520563 /nfs/dbraw/zinc/52/05/63/507520563.db2.gz QORCLKAJPGXQKS-GBESFXJTSA-N 0 3 372.509 3.344 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000595479849 507521288 /nfs/dbraw/zinc/52/12/88/507521288.db2.gz NRYXASIPAUWGHB-IRXDYDNUSA-N 0 3 360.527 3.295 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000598619256 507521611 /nfs/dbraw/zinc/52/16/11/507521611.db2.gz NAMHOJUFNLQYRH-SMDDNHRTSA-N 0 3 353.260 3.163 20 30 FGEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595496345 507530499 /nfs/dbraw/zinc/53/04/99/507530499.db2.gz AILGNGYOORGPTA-AWEZNQCLSA-N 0 3 367.415 3.262 20 30 FGEDHN CCC[C@@H]1CN(c2c(C#N)cnc3c(C)cccc32)CCN1CCOC ZINC000611228081 507570893 /nfs/dbraw/zinc/57/08/93/507570893.db2.gz CWASZHTUZFJQSI-GOSISDBHSA-N 0 3 352.482 3.352 20 30 FGEDHN COc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1OCCCC#N ZINC000611268100 507592381 /nfs/dbraw/zinc/59/23/81/507592381.db2.gz LBKSUJZLFZGDFO-SFHVURJKSA-N 0 3 354.454 3.411 20 30 FGEDHN COc1cc(CCNC(=O)C(C)C#N)cc(OC)c1OCc1ccccc1 ZINC000598777807 507596851 /nfs/dbraw/zinc/59/68/51/507596851.db2.gz BGYGUINUWQRLKE-OAHLLOKOSA-N 0 3 368.433 3.101 20 30 FGEDHN N#Cc1ccc(CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000595686230 507626915 /nfs/dbraw/zinc/62/69/15/507626915.db2.gz UFDHQRYQOBOLGN-NRFANRHFSA-N 0 3 362.477 3.237 20 30 FGEDHN Cc1c(NC(=O)CCN[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000611389549 507657091 /nfs/dbraw/zinc/65/70/91/507657091.db2.gz ZFRTXZUZARCLPQ-AWEZNQCLSA-N 0 3 352.394 3.454 20 30 FGEDHN COc1cccc(OCCNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595765675 507674999 /nfs/dbraw/zinc/67/49/99/507674999.db2.gz SYOABXTXUOEDAX-UHFFFAOYSA-N 0 3 352.434 3.241 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]([C@@H]4CCCCO4)C3)C2=O)cc1 ZINC000595790164 507686752 /nfs/dbraw/zinc/68/67/52/507686752.db2.gz ULJOANILOBLCHA-GIVPXCGWSA-N 0 3 367.493 3.335 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000602488637 507724204 /nfs/dbraw/zinc/72/42/04/507724204.db2.gz WXOVMQJWHOCBED-KRWDZBQOSA-N 0 3 357.498 3.154 20 30 FGEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000611566399 507741701 /nfs/dbraw/zinc/74/17/01/507741701.db2.gz DXLDHIJMEAJFOC-WMZOPIPTSA-N 0 3 358.511 3.092 20 30 FGEDHN C[N@@H+]1CCC[C@H](CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000830928502 600753630 /nfs/dbraw/zinc/75/36/30/600753630.db2.gz NQIKKOCWSUSXKD-QRQLOZEOSA-N 0 3 369.490 3.418 20 30 FGEDHN C[N@H+]1CCC[C@H](CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000830928502 600753633 /nfs/dbraw/zinc/75/36/33/600753633.db2.gz NQIKKOCWSUSXKD-QRQLOZEOSA-N 0 3 369.490 3.418 20 30 FGEDHN Cc1csc(C(C#N)C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000041520506 695763202 /nfs/dbraw/zinc/76/32/02/695763202.db2.gz FSUKAOAFJGCNMS-HZPDHXFCSA-N 0 3 355.463 3.391 20 30 FGEDHN N#CC(C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)N1CCCC1 ZINC000124580390 700722244 /nfs/dbraw/zinc/72/22/44/700722244.db2.gz YQFBFYSRMLYEKL-CQSZACIVSA-N 0 3 373.865 3.337 20 30 FGEDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126715776 700752029 /nfs/dbraw/zinc/75/20/29/700752029.db2.gz DSSVZLIJWKVVQG-DYVFJYSZSA-N 0 3 356.809 3.133 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000132662344 700829949 /nfs/dbraw/zinc/82/99/49/700829949.db2.gz IDJLSSGFDYMRKE-FZMZJTMJSA-N 0 3 351.244 3.176 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000132689700 700830268 /nfs/dbraw/zinc/83/02/68/700830268.db2.gz WBKAIGYEHGDYQE-PWSUYJOCSA-N 0 3 369.234 3.000 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSCc1ccco1 ZINC000150943129 704905861 /nfs/dbraw/zinc/90/58/61/704905861.db2.gz OHWFUEKMNQMETL-QSYFUGGGSA-N 0 3 356.403 3.383 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(Br)cc1 ZINC000155601620 705084991 /nfs/dbraw/zinc/08/49/91/705084991.db2.gz DVWCVDWJXLHMGZ-NHYWBVRUSA-N 0 3 363.255 3.320 20 30 FGEDHN CCCC[C@H](NC(=O)NCC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000157866596 705166625 /nfs/dbraw/zinc/16/66/25/705166625.db2.gz NNIZNBKBHCIQIS-OLZOCXBDSA-N 0 3 350.488 3.321 20 30 FGEDHN N#CC(C(=O)Cc1cccc(Br)c1)C(=O)NC1CCCCC1 ZINC000171329076 705380775 /nfs/dbraw/zinc/38/07/75/705380775.db2.gz UBBVHOJPBAYVGO-HNNXBMFYSA-N 0 3 363.255 3.149 20 30 FGEDHN N#CC(C(=O)CSC[C@H]1CCCCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000171364400 705382297 /nfs/dbraw/zinc/38/22/97/705382297.db2.gz PUGGYFPXVHOSFK-HUUCEWRRSA-N 0 3 366.870 3.290 20 30 FGEDHN C=C(Br)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000175960522 705565727 /nfs/dbraw/zinc/56/57/27/705565727.db2.gz XRISCYKMAPNINV-HNNXBMFYSA-N 0 3 366.303 3.201 20 30 FGEDHN N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)c(Br)c1 ZINC000182115991 705826418 /nfs/dbraw/zinc/82/64/18/705826418.db2.gz FMTHJKGWHPHDDO-INIZCTEOSA-N 0 3 364.287 3.235 20 30 FGEDHN C#CCSCCN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186070186 712708563 /nfs/dbraw/zinc/70/85/63/712708563.db2.gz DTLDPDSMCOPHJG-ROUUACIJSA-N 0 3 351.537 3.036 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)N2CC[C@@](F)(C#N)C2)c2cccs2)CC1 ZINC000615528496 714533081 /nfs/dbraw/zinc/53/30/81/714533081.db2.gz DKZMIBNGLGOECW-MAUKXSAKSA-N 0 3 364.490 3.168 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655778167 719338740 /nfs/dbraw/zinc/33/87/40/719338740.db2.gz DSVPPJFKFFTCFT-SJORKVTESA-N 0 3 362.271 3.376 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000656985609 719534266 /nfs/dbraw/zinc/53/42/66/719534266.db2.gz WRVSNJLCZICYHR-CYBMUJFWSA-N 0 3 368.275 3.230 20 30 FGEDHN Cn1ccc(CC(=O)C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 ZINC000782583988 724684385 /nfs/dbraw/zinc/68/43/85/724684385.db2.gz XYWGSCUYFRAJIK-NSHDSACASA-N 0 3 364.352 3.468 20 30 FGEDHN N#Cc1c(Cl)ccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900523 721521939 /nfs/dbraw/zinc/52/19/39/721521939.db2.gz RUXPZUBPVKLLOE-GDBMZVCRSA-N 0 3 372.831 3.088 20 30 FGEDHN N#Cc1cc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911547 721527947 /nfs/dbraw/zinc/52/79/47/721527947.db2.gz XDDLLDHYXMPQSG-FUHWJXTLSA-N 0 3 372.831 3.088 20 30 FGEDHN CCC#C[C@H](C)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000677478553 721897439 /nfs/dbraw/zinc/89/74/39/721897439.db2.gz AILAMTMYDWVGFA-ZDUSSCGKSA-N 0 3 364.287 3.297 20 30 FGEDHN CCC#C[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479938 721897518 /nfs/dbraw/zinc/89/75/18/721897518.db2.gz RSZCRGUYUWXGIA-ZIAGYGMSSA-N 0 3 364.287 3.297 20 30 FGEDHN C=C(C)CN1CCC(NC(=S)NCCCN(C)c2ccccc2)CC1 ZINC000729942060 722463612 /nfs/dbraw/zinc/46/36/12/722463612.db2.gz HQLLWAYTZQNRSO-UHFFFAOYSA-N 0 3 360.571 3.018 20 30 FGEDHN CCCC(=O)N1CCC[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420553 722468343 /nfs/dbraw/zinc/46/83/43/722468343.db2.gz HSLGOOTYEXPCPM-GXTWGEPZSA-N 0 3 359.426 3.403 20 30 FGEDHN C#CCN(CCCCCO)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733614002 722499666 /nfs/dbraw/zinc/49/96/66/722499666.db2.gz UKUNHWAREINYJR-MRXNPFEDSA-N 0 3 352.272 3.371 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1csc(C)n1 ZINC000733679231 722500086 /nfs/dbraw/zinc/50/00/86/722500086.db2.gz WYLKETQGJGOFNB-AWEZNQCLSA-N 0 3 357.435 3.130 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CCOC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000740529899 722536397 /nfs/dbraw/zinc/53/63/97/722536397.db2.gz YGWNOBLPSDSLOG-GXFFZTMASA-N 0 3 354.378 3.075 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSCC(=O)OC(C)(C)C)nc21 ZINC000741442203 722545942 /nfs/dbraw/zinc/54/59/42/722545942.db2.gz DPRZTCGHAXRTTR-LBPRGKRZSA-N 0 3 359.451 3.123 20 30 FGEDHN Cc1cccc2nc(C(C#N)C(=O)CSCC(=O)OC(C)(C)C)[nH]c21 ZINC000741442203 722545943 /nfs/dbraw/zinc/54/59/43/722545943.db2.gz DPRZTCGHAXRTTR-LBPRGKRZSA-N 0 3 359.451 3.123 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)C(F)F ZINC000749363245 722726051 /nfs/dbraw/zinc/72/60/51/722726051.db2.gz PMYAPLIQUOOFOF-UHFFFAOYSA-N 0 3 374.300 3.496 20 30 FGEDHN CN(CCc1nccs1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000753278437 722892386 /nfs/dbraw/zinc/89/23/86/722892386.db2.gz PWUHHFYYFRZCTL-GFCCVEGCSA-N 0 3 356.476 3.104 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnc(Br)cc2C)CC1 ZINC000754469327 722939533 /nfs/dbraw/zinc/93/95/33/722939533.db2.gz PCOJYTNQUNLQEQ-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN CCCCCCCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764461415 723415217 /nfs/dbraw/zinc/41/52/17/723415217.db2.gz HAADLSREFFIPDP-RTBURBONSA-N 0 3 352.567 3.014 20 30 FGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767885285 723638207 /nfs/dbraw/zinc/63/82/07/723638207.db2.gz RFWMQGJBBAOCOK-ZFWWWQNUSA-N 0 3 353.388 3.255 20 30 FGEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1 ZINC000774042194 723852118 /nfs/dbraw/zinc/85/21/18/723852118.db2.gz DPZUNUKYJHORHU-HNNXBMFYSA-N 0 3 357.797 3.483 20 30 FGEDHN C#C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)C ZINC000799042731 723984220 /nfs/dbraw/zinc/98/42/20/723984220.db2.gz NDHBWBKKWICLFX-AEFFLSMTSA-N 0 3 352.400 3.215 20 30 FGEDHN CC(=O)N[C@H](CC1CCC1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000786403002 724977790 /nfs/dbraw/zinc/97/77/90/724977790.db2.gz SODGRJXXQBNXPD-DZGCQCFKSA-N 0 3 359.426 3.307 20 30 FGEDHN N#CC(C(=O)Cc1cc(F)ccc1F)C(=O)NCc1cccc(Cl)c1 ZINC000786546669 724988259 /nfs/dbraw/zinc/98/82/59/724988259.db2.gz JZBOQSHCAQVINT-OAHLLOKOSA-N 0 3 362.763 3.186 20 30 FGEDHN C#C[C@@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)C(C)(C)C ZINC000809782454 725268371 /nfs/dbraw/zinc/26/83/71/725268371.db2.gz UWPNYMYRFHMIAM-LJQANCHMSA-N 0 3 364.917 3.189 20 30 FGEDHN C=CCCCCCCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000811927769 725385075 /nfs/dbraw/zinc/38/50/75/725385075.db2.gz NPQCQAZBPJWLMZ-GOSISDBHSA-N 0 3 351.535 3.408 20 30 FGEDHN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(CCOCCC#N)CC1 ZINC000815060206 727029055 /nfs/dbraw/zinc/02/90/55/727029055.db2.gz JJZWTZOLLSZYMF-UHFFFAOYSA-N 0 3 351.491 3.028 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cccn1 ZINC000819943171 728955713 /nfs/dbraw/zinc/95/57/13/728955713.db2.gz OVVUFQGYQOOGNU-QMTHXVAHSA-N 0 3 365.220 3.489 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)C2(C#N)CCSCC2)N(C)C)cc1 ZINC000820834709 729036106 /nfs/dbraw/zinc/03/61/06/729036106.db2.gz IRFGBLSLRPQRKR-INIZCTEOSA-N 0 3 363.552 3.164 20 30 FGEDHN C#C[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)C1CCOCC1 ZINC000827569761 729431866 /nfs/dbraw/zinc/43/18/66/729431866.db2.gz FUWYWUOSHCYGMG-SFHVURJKSA-N 0 3 374.282 3.153 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H]1CSc2ccccc2O1 ZINC000835057867 729854095 /nfs/dbraw/zinc/85/40/95/729854095.db2.gz UXRPRJPULRDLNH-GJZGRUSLSA-N 0 3 360.479 3.335 20 30 FGEDHN C#CCCOc1ccc(CN[C@H](CC)C(=O)NCc2cccs2)cc1 ZINC000842748880 730538982 /nfs/dbraw/zinc/53/89/82/730538982.db2.gz UAYKKYZCLCRLIU-LJQANCHMSA-N 0 3 356.491 3.335 20 30 FGEDHN CC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)C(=O)NCc1cccs1 ZINC000842748849 730539106 /nfs/dbraw/zinc/53/91/06/730539106.db2.gz SQWJYUURTSSRGZ-RDTXWAMCSA-N 0 3 357.479 3.224 20 30 FGEDHN CC(C)O[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000844377258 730710166 /nfs/dbraw/zinc/71/01/66/730710166.db2.gz DNPVOKAPQMGROW-GJZGRUSLSA-N 0 3 357.479 3.362 20 30 FGEDHN CN(Cc1ccc(OC(F)F)c(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006466 730917798 /nfs/dbraw/zinc/91/77/98/730917798.db2.gz ISVOEWWKRSVDRI-MRXNPFEDSA-N 0 3 350.340 3.464 20 30 FGEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000858296314 732201295 /nfs/dbraw/zinc/20/12/95/732201295.db2.gz SIKHMYOETNHIBX-NVXWUHKLSA-N 0 3 350.256 3.118 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)[C@@H](C)O1 ZINC000870135755 733814911 /nfs/dbraw/zinc/81/49/11/733814911.db2.gz BZEXVLCCGZUFFW-XYHOJCAOSA-N 0 3 368.405 3.462 20 30 FGEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCOCC1 ZINC000870379715 733845808 /nfs/dbraw/zinc/84/58/08/733845808.db2.gz DYRHZOKCKZIVHG-CZUORRHYSA-N 0 3 356.344 3.108 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000876725131 736136544 /nfs/dbraw/zinc/13/65/44/736136544.db2.gz NCATYWZVTKTDJZ-RDTXWAMCSA-N 0 3 359.857 3.308 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000876751758 736140021 /nfs/dbraw/zinc/14/00/21/736140021.db2.gz XHPAVWXRBDORBA-GOSISDBHSA-N 0 3 361.848 3.262 20 30 FGEDHN N#Cc1cnc(Cl)c(CNCCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000877415321 736216722 /nfs/dbraw/zinc/21/67/22/736216722.db2.gz DOLBVNBHCJPJER-UHFFFAOYSA-N 0 3 370.762 3.275 20 30 FGEDHN N#Cc1ccc(CN(C[C@H](O)c2cc(Br)no2)C2CC2)cc1 ZINC000878001751 736754824 /nfs/dbraw/zinc/75/48/24/736754824.db2.gz ASZRSNWAFRJVOB-AWEZNQCLSA-N 0 3 362.227 3.007 20 30 FGEDHN CN(CCCN(C)c1ncc(C#N)cc1Br)Cc1ccncc1 ZINC000882521309 737463985 /nfs/dbraw/zinc/46/39/85/737463985.db2.gz XIFNNBXJNZTOHX-UHFFFAOYSA-N 0 3 374.286 3.069 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(-c3cccs3)cc1)C2 ZINC000884400487 737661663 /nfs/dbraw/zinc/66/16/63/737661663.db2.gz JRLAEBBDWLXHKZ-GNZRSQJKSA-N 0 3 351.475 3.171 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000884463454 737665832 /nfs/dbraw/zinc/66/58/32/737665832.db2.gz HPTOUWRFHDREKN-BWBHSNQOSA-N 0 3 371.790 3.114 20 30 FGEDHN COC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000886111768 739219846 /nfs/dbraw/zinc/21/98/46/739219846.db2.gz IHNSERRICSOYMP-HZPDHXFCSA-N 0 3 356.388 3.427 20 30 FGEDHN C#CCN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)C1CCN(C)CC1 ZINC000886585176 739272383 /nfs/dbraw/zinc/27/23/83/739272383.db2.gz LJYGILWGWZKAPA-UHFFFAOYSA-N 0 3 357.841 3.165 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cn2)N(C)C)cc1 ZINC000889236809 739645399 /nfs/dbraw/zinc/64/53/99/739645399.db2.gz BEOMVJAZJCGIFJ-INIZCTEOSA-N 0 3 355.467 3.100 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892496557 740006754 /nfs/dbraw/zinc/00/67/54/740006754.db2.gz JKQKQUAJASBMBJ-DKUMPPAJSA-N 0 3 358.463 3.407 20 30 FGEDHN Cc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000892499351 740008123 /nfs/dbraw/zinc/00/81/23/740008123.db2.gz VUCUSYCFZFJLAK-LLVKDONJSA-N 0 3 365.817 3.443 20 30 FGEDHN CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000893873539 742207907 /nfs/dbraw/zinc/20/79/07/742207907.db2.gz ABOKGVMCISEYLS-MSOLQXFVSA-N 0 3 354.479 3.207 20 30 FGEDHN CCO/C=C/[C@@](O)(CNCc1ccc(C2(C#N)CC2)cc1)C(F)(F)F ZINC000895716475 742446474 /nfs/dbraw/zinc/44/64/74/742446474.db2.gz IHTKTNAQJOAROU-OAGJVSPASA-N 0 3 354.372 3.175 20 30 FGEDHN C=CCC[C@H](NC[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000903224487 743825266 /nfs/dbraw/zinc/82/52/66/743825266.db2.gz WSLNCSORORXJNJ-IRXDYDNUSA-N 0 3 357.903 3.141 20 30 FGEDHN COc1ccc(OC)c([C@@H](O)CNCc2ccc(SC)c(C#N)c2)c1 ZINC000905465403 744024300 /nfs/dbraw/zinc/02/43/00/744024300.db2.gz OWWZEWZIZVLGAR-KRWDZBQOSA-N 0 3 358.463 3.121 20 30 FGEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1C ZINC000917520836 758232418 /nfs/dbraw/zinc/23/24/18/758232418.db2.gz VCFCKLVCRSWRPU-GFCCVEGCSA-N 0 3 364.377 3.004 20 30 FGEDHN C[C@](O)(CNCc1cc(C#N)ccc1Br)c1cccs1 ZINC000921769530 758789455 /nfs/dbraw/zinc/78/94/55/758789455.db2.gz RMRZNAQETDRICB-HNNXBMFYSA-N 0 3 351.269 3.380 20 30 FGEDHN Cc1nn(C)c(C)c1CCCNCc1cc(C#N)ccc1Br ZINC000921966954 758829251 /nfs/dbraw/zinc/82/92/51/758829251.db2.gz OSRJIYAVPKMIHE-UHFFFAOYSA-N 0 3 361.287 3.394 20 30 FGEDHN C#CCN(C(=O)N[C@@H](C)c1ccc2ncsc2c1)C1CCN(C)CC1 ZINC000922068722 758844380 /nfs/dbraw/zinc/84/43/80/758844380.db2.gz QDLLAATXTREDIN-AWEZNQCLSA-N 0 3 356.495 3.096 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(NC(=O)OCC)ccc2Cl)CC1 ZINC000932141049 761066858 /nfs/dbraw/zinc/06/68/58/761066858.db2.gz NWPAXAPMARQXFE-UHFFFAOYSA-N 0 3 365.861 3.289 20 30 FGEDHN CC1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1 ZINC000932945458 761282609 /nfs/dbraw/zinc/28/26/09/761282609.db2.gz XLGLTYVVHCRIIM-OCAPTIKFSA-N 0 3 353.253 3.126 20 30 FGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C[C@]2(C)C1 ZINC000982300386 763581694 /nfs/dbraw/zinc/58/16/94/763581694.db2.gz XKUNTAWMSFZUEV-AHCXZYCDSA-N 0 3 356.432 3.159 20 30 FGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC000999132741 765137918 /nfs/dbraw/zinc/13/79/18/765137918.db2.gz REYGEACCZFZQEQ-GMNCBBECSA-N 0 3 362.901 3.108 20 30 FGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001004488604 765433843 /nfs/dbraw/zinc/43/38/43/765433843.db2.gz FUUIXRLSUOJFRL-QYZOEREBSA-N 0 3 366.933 3.257 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2cccc(Cl)c2F)C1 ZINC001020604742 765881782 /nfs/dbraw/zinc/88/17/82/765881782.db2.gz MLDUDLWQXTZNHF-FWXUTCFWSA-N 0 3 366.864 3.368 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020713342 765885834 /nfs/dbraw/zinc/88/58/34/765885834.db2.gz AGQHHWMXEJVKBO-DWRORGKVSA-N 0 3 362.901 3.448 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001022843146 766033767 /nfs/dbraw/zinc/03/37/67/766033767.db2.gz XJOIKCXMMKDPNW-KRXQYRFLSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(CCCc2ccsc2)C1 ZINC001033498327 766221094 /nfs/dbraw/zinc/22/10/94/766221094.db2.gz WYCMBKIHHSUWOA-FHWLQOOXSA-N 0 3 362.539 3.195 20 30 FGEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001034475500 766243477 /nfs/dbraw/zinc/24/34/77/766243477.db2.gz ZPUACPNWWNFSAP-SOUVJXGZSA-N 0 3 352.400 3.364 20 30 FGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC001041600007 766334444 /nfs/dbraw/zinc/33/44/44/766334444.db2.gz UDJOCGZYKGLCRG-CLCXKQKWSA-N 0 3 362.926 3.453 20 30 FGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC001041729273 766338228 /nfs/dbraw/zinc/33/82/28/766338228.db2.gz DHOFOIMUOOKBPU-QKNQBKEWSA-N 0 3 356.897 3.391 20 30 FGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001049551477 766793612 /nfs/dbraw/zinc/79/36/12/766793612.db2.gz GPSNKXBLUMCMAL-QZWWFDLISA-N 0 3 356.432 3.444 20 30 FGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)C2 ZINC001054154177 766999149 /nfs/dbraw/zinc/99/91/49/766999149.db2.gz QXMSJZTZDFMPKH-NUJGCVRESA-N 0 3 354.416 3.079 20 30 FGEDHN CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)CC1 ZINC000579540756 505571734 /nfs/dbraw/zinc/57/17/34/505571734.db2.gz ZBINCNUEQVYOOM-UHFFFAOYSA-N 0 3 352.486 3.005 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000567951722 505582060 /nfs/dbraw/zinc/58/20/60/505582060.db2.gz JAOYPPITWNWOAM-IAGOWNOFSA-N 0 3 352.459 3.428 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000570805238 505585067 /nfs/dbraw/zinc/58/50/67/505585067.db2.gz FFFAYEKKPHRQPE-OAQYLSRUSA-N 0 3 364.449 3.353 20 30 FGEDHN C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000573731050 505606223 /nfs/dbraw/zinc/60/62/23/505606223.db2.gz MSSSOKMMBWOVQT-GOSISDBHSA-N 0 3 374.492 3.352 20 30 FGEDHN CC#CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000576888616 505617429 /nfs/dbraw/zinc/61/74/29/505617429.db2.gz GXRJTDMUZPMKFO-FCHUYYIVSA-N 0 3 361.489 3.367 20 30 FGEDHN Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000577002022 505643081 /nfs/dbraw/zinc/64/30/81/505643081.db2.gz LTNXVRTVVUVQHK-GFCCVEGCSA-N 0 3 366.331 3.203 20 30 FGEDHN CN(C)CCN(Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000573961757 505660432 /nfs/dbraw/zinc/66/04/32/505660432.db2.gz STQXBMZYGXKMIQ-UHFFFAOYSA-N 0 3 373.504 3.367 20 30 FGEDHN C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCN(C2CCC2)C1 ZINC000577165165 505678003 /nfs/dbraw/zinc/67/80/03/505678003.db2.gz AKHTVXNOEVIOTJ-KKSFZXQISA-N 0 3 366.509 3.451 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNC[C@H]2SCCc3ccccc32)cc1 ZINC000568381890 505681214 /nfs/dbraw/zinc/68/12/14/505681214.db2.gz DAEKZBMQTULOFV-GHTZIAJQSA-N 0 3 368.502 3.113 20 30 FGEDHN C[C@]1(NC(=O)NCc2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000577182636 505681660 /nfs/dbraw/zinc/68/16/60/505681660.db2.gz KCVNITFYQKCIDF-IBGZPJMESA-N 0 3 354.479 3.084 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)Cc1ccc(Br)cc1C#N ZINC000574051006 505682636 /nfs/dbraw/zinc/68/26/36/505682636.db2.gz ONDJMBLNKYKIIZ-UHFFFAOYSA-N 0 3 373.298 3.280 20 30 FGEDHN C[C@H]1CCCN(CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000076201926 493843285 /nfs/dbraw/zinc/84/32/85/493843285.db2.gz KQLHQQWIUSGYMN-INIZCTEOSA-N 0 3 367.449 3.192 20 30 FGEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000059829242 493909119 /nfs/dbraw/zinc/90/91/19/493909119.db2.gz XVGHPMWCWCAHPT-UHFFFAOYSA-N 0 3 371.934 3.200 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081653977 493938721 /nfs/dbraw/zinc/93/87/21/493938721.db2.gz CUKKFIGKSPGIDJ-RBUKOAKNSA-N 0 3 363.465 3.154 20 30 FGEDHN N#Cc1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000063301979 494041845 /nfs/dbraw/zinc/04/18/45/494041845.db2.gz QQCNBPKBUATDSU-UHFFFAOYSA-N 0 3 353.491 3.191 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000063404103 494051703 /nfs/dbraw/zinc/05/17/03/494051703.db2.gz VNKCWTWGYVPAMR-KRWDZBQOSA-N 0 3 374.485 3.413 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000063506812 494061044 /nfs/dbraw/zinc/06/10/44/494061044.db2.gz FPKIMRALMCZVTB-CRAIPNDOSA-N 0 3 368.433 3.110 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCN(CC3CCCCC3)CC2)c1 ZINC000064129322 494105224 /nfs/dbraw/zinc/10/52/24/494105224.db2.gz RFNZBOUMQKBBNM-UHFFFAOYSA-N 0 3 354.498 3.085 20 30 FGEDHN CN(C)CCCN(CCC#N)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000064381304 494118267 /nfs/dbraw/zinc/11/82/67/494118267.db2.gz VTYZHNOWDXNAHL-UHFFFAOYSA-N 0 3 369.509 3.222 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(C)C3(CCCCC3)C2)c(C#N)c1C ZINC000571294951 505701038 /nfs/dbraw/zinc/70/10/38/505701038.db2.gz KKVDVJXIXIKODY-OAHLLOKOSA-N 0 3 358.486 3.045 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000010917440 494165456 /nfs/dbraw/zinc/16/54/56/494165456.db2.gz QQRCALGYLKYVHO-HXUWFJFHSA-N 0 3 351.450 3.380 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(F)cc1 ZINC000065930033 494257170 /nfs/dbraw/zinc/25/71/70/494257170.db2.gz XKQISHQICZEUOH-UHFFFAOYSA-N 0 3 371.481 3.380 20 30 FGEDHN CN(c1ccccc1)C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000065957224 494261270 /nfs/dbraw/zinc/26/12/70/494261270.db2.gz LEYNOCQXHOMJEG-UHFFFAOYSA-N 0 3 362.477 3.488 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(C2)CCOCC3)c1 ZINC000072898966 494278577 /nfs/dbraw/zinc/27/85/77/494278577.db2.gz QQOUCVPEMXIFAY-LJQANCHMSA-N 0 3 369.509 3.441 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)c(C)n1)c1cccc(OC)c1 ZINC000078429690 494295862 /nfs/dbraw/zinc/29/58/62/494295862.db2.gz OVQAINMRUPKDGF-FQEVSTJZSA-N 0 3 366.465 3.083 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(C(=O)NC)c1C)C(C)C ZINC000044175616 494342085 /nfs/dbraw/zinc/34/20/85/494342085.db2.gz AGEMOPULVVYQEB-LJQANCHMSA-N 0 3 372.513 3.175 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1scnc1C1CC1 ZINC000089770543 494360022 /nfs/dbraw/zinc/36/00/22/494360022.db2.gz DVFQWBAUDIEWJB-UHFFFAOYSA-N 0 3 354.479 3.096 20 30 FGEDHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000089925768 494403310 /nfs/dbraw/zinc/40/33/10/494403310.db2.gz UACKYZWVQWDNEE-LJQANCHMSA-N 0 3 352.482 3.167 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cnc(-c4ccccc4)nc3)CC2)nc1 ZINC000067010968 494454591 /nfs/dbraw/zinc/45/45/91/494454591.db2.gz SAIAORDTRPDIGF-UHFFFAOYSA-N 0 3 370.460 3.169 20 30 FGEDHN CCn1c(CNC2CCN(c3ccc(C#N)cn3)CC2)nc2ccccc21 ZINC000067010923 494454998 /nfs/dbraw/zinc/45/49/98/494454998.db2.gz BGGZIZBGDPMKAT-UHFFFAOYSA-N 0 3 360.465 3.081 20 30 FGEDHN COc1ccc([C@@H](C)N(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000074044770 494472669 /nfs/dbraw/zinc/47/26/69/494472669.db2.gz SQYNKLCFVPCMKA-APWZRJJASA-N 0 3 354.450 3.194 20 30 FGEDHN COc1ccc([C@H](C)N(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000074044767 494472736 /nfs/dbraw/zinc/47/27/36/494472736.db2.gz SQYNKLCFVPCMKA-LPHOPBHVSA-N 0 3 354.450 3.194 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000074215857 494499006 /nfs/dbraw/zinc/49/90/06/494499006.db2.gz YAYFLENXZVFJRJ-QGZVFWFLSA-N 0 3 362.477 3.191 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000080063955 494581601 /nfs/dbraw/zinc/58/16/01/494581601.db2.gz GYMXVSMZEDWDGP-UGKGYDQZSA-N 0 3 361.489 3.390 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1ccc2c(c1)OCO2)C(C)C ZINC000046906152 494583414 /nfs/dbraw/zinc/58/34/14/494583414.db2.gz PJNTYITYHTVXPF-GOSISDBHSA-N 0 3 373.497 3.255 20 30 FGEDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccccc2C#N)o1 ZINC000131380058 494599668 /nfs/dbraw/zinc/59/96/68/494599668.db2.gz ODECRVWBMSVIEW-SFHVURJKSA-N 0 3 353.422 3.463 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1Cl ZINC000047011615 494616126 /nfs/dbraw/zinc/61/61/26/494616126.db2.gz LXTIXHJWLXUPKK-UHFFFAOYSA-N 0 3 355.869 3.345 20 30 FGEDHN C[C@@H](Oc1ccc(F)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010664 494616516 /nfs/dbraw/zinc/61/65/16/494616516.db2.gz HNFBOTZQNHSHTE-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1F ZINC000047010984 494617477 /nfs/dbraw/zinc/61/74/77/494617477.db2.gz XNSFDWRJGNEPSL-UHFFFAOYSA-N 0 3 353.441 3.220 20 30 FGEDHN CC(C)[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)N1CCN(C)CC1 ZINC000121153278 494620235 /nfs/dbraw/zinc/62/02/35/494620235.db2.gz DTGUKRHMZKWWGZ-QGZVFWFLSA-N 0 3 354.420 3.261 20 30 FGEDHN N#Cc1cc(F)c(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c(F)c1 ZINC000126084641 494631151 /nfs/dbraw/zinc/63/11/51/494631151.db2.gz KQEJEJWXSSQICH-OAHLLOKOSA-N 0 3 353.372 3.461 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CCO)CC2CC2)cc1OC ZINC000092506050 494648510 /nfs/dbraw/zinc/64/85/10/494648510.db2.gz DVDMUTULUPOTGL-UHFFFAOYSA-N 0 3 370.287 3.227 20 30 FGEDHN N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000115901680 494659679 /nfs/dbraw/zinc/65/96/79/494659679.db2.gz WAGBGODBJPTRNK-CQSZACIVSA-N 0 3 357.295 3.171 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2cncn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000115901680 494659687 /nfs/dbraw/zinc/65/96/87/494659687.db2.gz WAGBGODBJPTRNK-CQSZACIVSA-N 0 3 357.295 3.171 20 30 FGEDHN C[C@@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1ccc(C#N)cc1 ZINC000057202369 494677881 /nfs/dbraw/zinc/67/78/81/494677881.db2.gz KJINDQYEXYVMAD-OXQOHEQNSA-N 0 3 350.466 3.091 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1OCCCC#N ZINC000091833224 494696474 /nfs/dbraw/zinc/69/64/74/494696474.db2.gz ACYXXGMHXQPACD-KRWDZBQOSA-N 0 3 370.453 3.449 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000075588135 494800371 /nfs/dbraw/zinc/80/03/71/494800371.db2.gz QUKFBVPRPZPFDN-UHFFFAOYSA-N 0 3 361.489 3.244 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCN(CC4CCCCC4)CC3)o2)c1 ZINC000075673908 494812116 /nfs/dbraw/zinc/81/21/16/494812116.db2.gz ABNPECYZRRDODZ-UHFFFAOYSA-N 0 3 365.481 3.306 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)c1ccccc1OCC#N)c1ccccc1 ZINC000109276240 494853458 /nfs/dbraw/zinc/85/34/58/494853458.db2.gz QLKPQHOMMFBKOK-INIZCTEOSA-N 0 3 351.450 3.448 20 30 FGEDHN C[C@H](NC1(CNS(=O)(=O)CCCCC#N)CCCC1)c1ccccc1 ZINC000109345056 494861847 /nfs/dbraw/zinc/86/18/47/494861847.db2.gz IMGVNGNFWRIGID-KRWDZBQOSA-N 0 3 363.527 3.263 20 30 FGEDHN COc1cc(CN2CCCC[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000116877273 494865372 /nfs/dbraw/zinc/86/53/72/494865372.db2.gz UEVFJBPAFKJKDG-FQEVSTJZSA-N 0 3 366.461 3.493 20 30 FGEDHN N#CCCn1cc(CN2CC[C@H]3OCCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000093505217 494896629 /nfs/dbraw/zinc/89/66/29/494896629.db2.gz DDBKAIPJROJPIN-UYAOXDASSA-N 0 3 350.466 3.465 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000121982711 494903636 /nfs/dbraw/zinc/90/36/36/494903636.db2.gz SKBSZMHXJCMBHG-UHFFFAOYSA-N 0 3 360.461 3.146 20 30 FGEDHN C=CCOc1ccc(CN(C)CC(C)(C)CN2CCOCC2)cc1OC ZINC000093769649 494920616 /nfs/dbraw/zinc/92/06/16/494920616.db2.gz NRGQUGKURIKBQS-UHFFFAOYSA-N 0 3 362.514 3.050 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000127528911 494957634 /nfs/dbraw/zinc/95/76/34/494957634.db2.gz CUAODGBNHKPTES-GXTWGEPZSA-N 0 3 358.511 3.107 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000110734368 495005002 /nfs/dbraw/zinc/00/50/02/495005002.db2.gz AXMBKBWJBOBUFC-UHFFFAOYSA-N 0 3 355.482 3.264 20 30 FGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000577570920 505755154 /nfs/dbraw/zinc/75/51/54/505755154.db2.gz APSQESZVMNYGLW-COXVUDFISA-N 0 3 365.399 3.478 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000118561804 495010685 /nfs/dbraw/zinc/01/06/85/495010685.db2.gz DIHICPVAGAHNCT-UHFFFAOYSA-N 0 3 365.861 3.289 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000110995940 495029382 /nfs/dbraw/zinc/02/93/82/495029382.db2.gz WEEFJLIQDXGWKB-QGZVFWFLSA-N 0 3 367.449 3.334 20 30 FGEDHN C[C@H](CCNCc1cccc(OCc2cccc(C#N)c2)c1)[S@@](C)=O ZINC000133708079 495049696 /nfs/dbraw/zinc/04/96/96/495049696.db2.gz QMSWTHIWDQEGBV-CPJLOUKISA-N 0 3 356.491 3.384 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)[N-]C[C@H]2CCCCO2)cc1 ZINC000134203287 495120673 /nfs/dbraw/zinc/12/06/73/495120673.db2.gz QSLDANNPFVTZOV-GOSISDBHSA-O 0 3 369.510 3.380 20 30 FGEDHN COc1ccc(C2(CN[C@@H](C)C(=O)N(C)CCC#N)CCCCC2)cc1 ZINC000112536043 495202245 /nfs/dbraw/zinc/20/22/45/495202245.db2.gz XOKGHMSGVVQYBC-KRWDZBQOSA-N 0 3 357.498 3.247 20 30 FGEDHN CN(C)C(=O)c1cccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000103329450 495223049 /nfs/dbraw/zinc/22/30/49/495223049.db2.gz JNIBIPXSOJPEJD-CQSZACIVSA-N 0 3 361.323 3.292 20 30 FGEDHN COCCN(CCC(=O)N(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000135009417 495237521 /nfs/dbraw/zinc/23/75/21/495237521.db2.gz ITTZFLMJKYZBNN-UHFFFAOYSA-N 0 3 351.450 3.060 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000119780700 495240226 /nfs/dbraw/zinc/24/02/26/495240226.db2.gz FPCPRWLJNLOAHS-YJBOKZPZSA-N 0 3 373.497 3.266 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135238394 495267402 /nfs/dbraw/zinc/26/74/02/495267402.db2.gz UFQYATASMUWROV-INIZCTEOSA-N 0 3 365.437 3.477 20 30 FGEDHN CN(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CCN(C)CC1 ZINC000114674379 495407753 /nfs/dbraw/zinc/40/77/53/495407753.db2.gz PTRGZQLFOFWVDX-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CCN(CCNC(=O)c1cccc(COc2ccccc2C#N)c1)C1CC1 ZINC000114686659 495409398 /nfs/dbraw/zinc/40/93/98/495409398.db2.gz BTHCGOZXGPWHJM-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN N#Cc1cc(N2CCC(CN3CCOCC3)CC2)ccc1C(F)(F)F ZINC000136936148 495411025 /nfs/dbraw/zinc/41/10/25/495411025.db2.gz NJZDBMQSCOMJJE-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC000106252920 495439884 /nfs/dbraw/zinc/43/98/84/495439884.db2.gz PEMRMVVCLDCNFA-UHFFFAOYSA-N 0 3 357.483 3.367 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCCOCc2ccccc2)CC1 ZINC000106268280 495441476 /nfs/dbraw/zinc/44/14/76/495441476.db2.gz YIGCHJPPGSYKQX-UHFFFAOYSA-N 0 3 359.514 3.323 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000106275001 495441790 /nfs/dbraw/zinc/44/17/90/495441790.db2.gz SRMFGQJQAMQVBB-SFHVURJKSA-N 0 3 371.481 3.302 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2Cc2ccccc2OC)CC1 ZINC000106275698 495441800 /nfs/dbraw/zinc/44/18/00/495441800.db2.gz NWGLSKOTKHEDIJ-HXUWFJFHSA-N 0 3 371.525 3.452 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000106325939 495444647 /nfs/dbraw/zinc/44/46/47/495444647.db2.gz WPQZSKQEONETBF-UHFFFAOYSA-N 0 3 356.470 3.123 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000106340982 495446330 /nfs/dbraw/zinc/44/63/30/495446330.db2.gz XGTJXDNEBXFZBG-UHFFFAOYSA-N 0 3 353.470 3.093 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc[nH]2)c(OC)c1 ZINC000125787739 495498936 /nfs/dbraw/zinc/49/89/36/495498936.db2.gz OQSNRDUWXCSUDF-PKOBYXMFSA-N 0 3 356.466 3.329 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cncc2ccccc21 ZINC000125794000 495499791 /nfs/dbraw/zinc/49/97/91/495499791.db2.gz XTOVLLMCNUIEJE-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)s1 ZINC000571666178 505786384 /nfs/dbraw/zinc/78/63/84/505786384.db2.gz CVYWGFOIJQROTD-INIZCTEOSA-N 0 3 354.479 3.084 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2CCN(C3CCCCC3)CC2)cc1Cl ZINC000141809562 495511248 /nfs/dbraw/zinc/51/12/48/495511248.db2.gz XNODMHMQCDFLNG-UHFFFAOYSA-N 0 3 360.889 3.100 20 30 FGEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(F)cc1F ZINC000176202150 495544680 /nfs/dbraw/zinc/54/46/80/495544680.db2.gz ZFOJBZSWRARGFD-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000170651052 495546572 /nfs/dbraw/zinc/54/65/72/495546572.db2.gz OLYXHURGTINBLE-HXUWFJFHSA-N 0 3 369.440 3.014 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1)CC(F)(F)F ZINC000154277322 495566156 /nfs/dbraw/zinc/56/61/56/495566156.db2.gz WVTKNQWOKGBQIZ-HNNXBMFYSA-N 0 3 355.404 3.273 20 30 FGEDHN COCCOc1ccc(C#N)cc1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000182446237 495567507 /nfs/dbraw/zinc/56/75/07/495567507.db2.gz HKOMOFLHYBTJOK-UHFFFAOYSA-N 0 3 368.437 3.289 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2-n2nc(C)nc2C)CC1 ZINC000159188108 495680577 /nfs/dbraw/zinc/68/05/77/495680577.db2.gz SAPWYIXBHHPUME-UHFFFAOYSA-N 0 3 368.485 3.046 20 30 FGEDHN C=CCN1CCC(NC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000185734949 495701947 /nfs/dbraw/zinc/70/19/47/495701947.db2.gz QIODEQWDFRCIKX-UHFFFAOYSA-N 0 3 364.287 3.125 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000176595752 495713108 /nfs/dbraw/zinc/71/31/08/495713108.db2.gz CRQWBASWPKGIQD-HNAYVOBHSA-N 0 3 366.440 3.160 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182834435 495721321 /nfs/dbraw/zinc/72/13/21/495721321.db2.gz ZEBVMLYANPFHEV-JKSUJKDBSA-N 0 3 364.371 3.144 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(F)c1 ZINC000151130082 495748054 /nfs/dbraw/zinc/74/80/54/495748054.db2.gz CCELKUROHDONTL-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN C=CCOc1ccccc1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171225879 495778173 /nfs/dbraw/zinc/77/81/73/495778173.db2.gz ISXKAOUWQLUVSH-HDICACEKSA-N 0 3 372.509 3.213 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000180013593 495822977 /nfs/dbraw/zinc/82/29/77/495822977.db2.gz FVIZXBBPWNSSEO-OAHLLOKOSA-N 0 3 356.426 3.166 20 30 FGEDHN C=C(C)COCCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186114072 495860914 /nfs/dbraw/zinc/86/09/14/495860914.db2.gz VKGMDLMHUVVLGD-RBUKOAKNSA-N 0 3 351.512 3.262 20 30 FGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000183171316 495866140 /nfs/dbraw/zinc/86/61/40/495866140.db2.gz WSYZSAAJMIMFRM-INIZCTEOSA-N 0 3 359.433 3.423 20 30 FGEDHN C=C(C)COCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000151532257 495869125 /nfs/dbraw/zinc/86/91/25/495869125.db2.gz YENMGMXKALIVCW-UYAOXDASSA-N 0 3 359.514 3.274 20 30 FGEDHN N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000171455146 495881152 /nfs/dbraw/zinc/88/11/52/495881152.db2.gz ZLWJNOTZIHJPRF-SFHVURJKSA-N 0 3 365.433 3.041 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](n2ccnc2CC)C1 ZINC000155229650 495883693 /nfs/dbraw/zinc/88/36/93/495883693.db2.gz IWGHLJNONLWOSJ-UXHICEINSA-N 0 3 369.509 3.251 20 30 FGEDHN COc1ccc(CNc2ccc(OC3CCN(C)CC3)nc2)cc1C#N ZINC000160132051 495891160 /nfs/dbraw/zinc/89/11/60/495891160.db2.gz CXVHTDULSBQFJQ-UHFFFAOYSA-N 0 3 352.438 3.047 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180215875 495912129 /nfs/dbraw/zinc/91/21/29/495912129.db2.gz XYZCICIRFYQBLT-DZGCQCFKSA-N 0 3 371.387 3.151 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000180243921 495922252 /nfs/dbraw/zinc/92/22/52/495922252.db2.gz ZTBFAGUUYAIEGN-UHFFFAOYSA-N 0 3 363.461 3.112 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)N2CCC(C#N)CC2)c2cccs2)CC1 ZINC000171579242 495933754 /nfs/dbraw/zinc/93/37/54/495933754.db2.gz RKWPCYMNMMYXPB-KRWDZBQOSA-N 0 3 360.527 3.466 20 30 FGEDHN COc1cc(OC)c(NC(=O)C(C#N)c2nc(C)cs2)cc1Cl ZINC000155403234 495946598 /nfs/dbraw/zinc/94/65/98/495946598.db2.gz LZMQYDTXMFFIKF-SECBINFHSA-N 0 3 351.815 3.368 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)cn1 ZINC000155427597 495954013 /nfs/dbraw/zinc/95/40/13/495954013.db2.gz ZIFHHZJFSROXGV-UHFFFAOYSA-N 0 3 350.422 3.070 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 ZINC000171637590 495959939 /nfs/dbraw/zinc/95/99/39/495959939.db2.gz PZRMJBWVWCOHAC-UHFFFAOYSA-N 0 3 374.554 3.320 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000171736699 496013027 /nfs/dbraw/zinc/01/30/27/496013027.db2.gz XNJVOOXPKMEYJW-UHFFFAOYSA-N 0 3 371.403 3.377 20 30 FGEDHN COc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1O ZINC000174623268 496036005 /nfs/dbraw/zinc/03/60/05/496036005.db2.gz DDWLHSAVWNAVGY-UHFFFAOYSA-N 0 3 373.840 3.386 20 30 FGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000574635741 505820647 /nfs/dbraw/zinc/82/06/47/505820647.db2.gz UQNWXNLRVOTEJR-LJQANCHMSA-N 0 3 354.498 3.353 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(Br)c2Cl)CC1 ZINC000183676833 496073741 /nfs/dbraw/zinc/07/37/41/496073741.db2.gz FHQDVEVLCVYOAQ-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000180628110 496076158 /nfs/dbraw/zinc/07/61/58/496076158.db2.gz LBRMSZKQIDMYDX-KSSFIOAISA-N 0 3 365.433 3.397 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000171895301 496082387 /nfs/dbraw/zinc/08/23/87/496082387.db2.gz PKZRIPRSOMADFO-UHFFFAOYSA-N 0 3 356.239 3.360 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)c2ncc(C#N)cc2Cl)CCC1 ZINC000574643377 505822258 /nfs/dbraw/zinc/82/22/58/505822258.db2.gz FRIAOQCZMNZQGY-UHFFFAOYSA-N 0 3 368.868 3.391 20 30 FGEDHN CC(C)N(CCSCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000161027383 496089170 /nfs/dbraw/zinc/08/91/70/496089170.db2.gz ORSZKPPFNJJJBG-UHFFFAOYSA-N 0 3 354.541 3.184 20 30 FGEDHN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(OCC#N)cc1 ZINC000183752299 496104403 /nfs/dbraw/zinc/10/44/03/496104403.db2.gz ILWOPGPYBXMUFE-JOCHJYFZSA-N 0 3 365.477 3.061 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)CC1 ZINC000180731428 496122598 /nfs/dbraw/zinc/12/25/98/496122598.db2.gz CICCOXCNSKJTPM-UHFFFAOYSA-N 0 3 371.460 3.482 20 30 FGEDHN COc1ccc(CCC(=O)N2CCCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000174839881 496128665 /nfs/dbraw/zinc/12/86/65/496128665.db2.gz GMRFRBNUSKPRGM-UHFFFAOYSA-N 0 3 371.525 3.492 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186928016 496215297 /nfs/dbraw/zinc/21/52/97/496215297.db2.gz XHYOXWWOORINSD-UHFFFAOYSA-N 0 3 354.425 3.146 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)[N-][C@@H](C)CC)cc1 ZINC000186965145 496232252 /nfs/dbraw/zinc/23/22/52/496232252.db2.gz HFHYOXFHOJCWIE-LBPRGKRZSA-O 0 3 360.503 3.468 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)CC1 ZINC000152731705 496239661 /nfs/dbraw/zinc/23/96/61/496239661.db2.gz BHKOKMHJCOFEQG-UHFFFAOYSA-N 0 3 365.433 3.166 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3ccncc3)C2)c(OC)c1 ZINC000580783812 505838171 /nfs/dbraw/zinc/83/81/71/505838171.db2.gz WJWZCNNMKLQQRX-UXHICEINSA-N 0 3 368.477 3.048 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000181300740 496345329 /nfs/dbraw/zinc/34/53/29/496345329.db2.gz CQODSIMIRHJDTO-PMACEKPBSA-N 0 3 373.460 3.256 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000175649497 496482647 /nfs/dbraw/zinc/48/26/47/496482647.db2.gz RKKMIDDWLJPVHX-IBGZPJMESA-N 0 3 366.440 3.161 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1SC[C@H]1CCN(C)C1 ZINC000187662174 496525637 /nfs/dbraw/zinc/52/56/37/496525637.db2.gz AEFACHOIEDJJHE-AWEZNQCLSA-N 0 3 362.474 3.226 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc([S@@](C)=O)cc1)C(C)C ZINC000175749542 496527572 /nfs/dbraw/zinc/52/75/72/496527572.db2.gz ABAAHQJKYVVJHC-AVRWGWEMSA-N 0 3 363.527 3.244 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccccc1OCC#N ZINC000163556223 496531703 /nfs/dbraw/zinc/53/17/03/496531703.db2.gz YBUHYLPKGWHEOO-UHFFFAOYSA-N 0 3 351.450 3.229 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000181899824 496591640 /nfs/dbraw/zinc/59/16/40/496591640.db2.gz DHFBYBCDLRFUFU-VQIMIIECSA-N 0 3 355.482 3.421 20 30 FGEDHN C[C@@](C#N)(NC(=O)CN[C@@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000184979988 496609259 /nfs/dbraw/zinc/60/92/59/496609259.db2.gz XTDOHVRAMSNUIT-PXNSSMCTSA-N 0 3 353.491 3.430 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC2(c3ccccc3OC)CCC2)CC1 ZINC000184986724 496612114 /nfs/dbraw/zinc/61/21/14/496612114.db2.gz UAWMHGXPLCMMKO-UHFFFAOYSA-N 0 3 357.498 3.067 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cnn(Cc4ccncc4)c3)CC2)cc1 ZINC000182136865 496683458 /nfs/dbraw/zinc/68/34/58/496683458.db2.gz ODOLADILZLMGHL-UHFFFAOYSA-N 0 3 372.476 3.275 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1 ZINC000167033662 496697149 /nfs/dbraw/zinc/69/71/49/496697149.db2.gz ZUFOUCNNYMXDBR-HOTGVXAUSA-N 0 3 372.469 3.182 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C#N)cc1 ZINC000179235886 496718521 /nfs/dbraw/zinc/71/85/21/496718521.db2.gz FPWOWPBYHFFHHO-UHFFFAOYSA-N 0 3 350.466 3.268 20 30 FGEDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(O)c1C ZINC000277382335 496754746 /nfs/dbraw/zinc/75/47/46/496754746.db2.gz XTJBVGGEJWXVSF-OXQOHEQNSA-N 0 3 363.461 3.332 20 30 FGEDHN N#CCOc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000194907818 496757487 /nfs/dbraw/zinc/75/74/87/496757487.db2.gz MOZPOFZDLCPKOJ-INIZCTEOSA-N 0 3 369.490 3.292 20 30 FGEDHN CO/N=C/c1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cc1 ZINC000264180478 496830656 /nfs/dbraw/zinc/83/06/56/496830656.db2.gz LZVJIDLLDXFLKP-PXLXIMEGSA-N 0 3 366.465 3.425 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000264374071 496885204 /nfs/dbraw/zinc/88/52/04/496885204.db2.gz RXMCXSPXAWRIHK-QGZVFWFLSA-N 0 3 363.527 3.089 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000572022266 505871757 /nfs/dbraw/zinc/87/17/57/505871757.db2.gz SXHFRMIPFWNLRX-JOCHJYFZSA-N 0 3 364.445 3.415 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000264418594 496896103 /nfs/dbraw/zinc/89/61/03/496896103.db2.gz WEIJHWPHEIDNNC-UHFFFAOYSA-N 0 3 367.440 3.470 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000191833962 496904580 /nfs/dbraw/zinc/90/45/80/496904580.db2.gz LHQFGAQXHBEUDS-AWEZNQCLSA-N 0 3 364.873 3.037 20 30 FGEDHN CN(C(=O)/C=C/c1ccccc1C#N)C1CCN(CCc2ccccn2)CC1 ZINC000195399712 496911997 /nfs/dbraw/zinc/91/19/97/496911997.db2.gz YVDUXWQFVWHIDW-MDZDMXLPSA-N 0 3 374.488 3.132 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nccs2)C1 ZINC000195403292 496913383 /nfs/dbraw/zinc/91/33/83/496913383.db2.gz XIOMFUMOMCKCMA-ROUUACIJSA-N 0 3 358.507 3.491 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000264651826 496953650 /nfs/dbraw/zinc/95/36/50/496953650.db2.gz YJKIDILKSXDNEL-CVEARBPZSA-N 0 3 360.527 3.045 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000192133738 497006845 /nfs/dbraw/zinc/00/68/45/497006845.db2.gz NCKMBQPWEQXGNW-ICSRJNTNSA-N 0 3 371.387 3.285 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2)CC1 ZINC000189175242 497034530 /nfs/dbraw/zinc/03/45/30/497034530.db2.gz FHLLRTOQKCSFOW-UHFFFAOYSA-N 0 3 374.488 3.370 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)OCC ZINC000270102934 497058784 /nfs/dbraw/zinc/05/87/84/497058784.db2.gz QVXAHMFJGHJHFQ-FUHWJXTLSA-N 0 3 350.528 3.448 20 30 FGEDHN CO[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[C@@H]1C ZINC000189315304 497079230 /nfs/dbraw/zinc/07/92/30/497079230.db2.gz UXJCEMUVIMXYAT-BBRMVZONSA-N 0 3 361.511 3.184 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2nc(-c3ccccc3F)cs2)CC1 ZINC000278532236 497145651 /nfs/dbraw/zinc/14/56/51/497145651.db2.gz ZZWJSFIMGSFPRU-UHFFFAOYSA-N 0 3 374.485 3.399 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000574950881 505889966 /nfs/dbraw/zinc/88/99/66/505889966.db2.gz SOAFVXLTIRGCPW-YJBOKZPZSA-N 0 3 370.497 3.103 20 30 FGEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249457899 497205342 /nfs/dbraw/zinc/20/53/42/497205342.db2.gz DUVYMVOUTOTPQV-JUXOCIIHSA-N 0 3 361.493 3.369 20 30 FGEDHN C#CCOc1ccccc1CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271185703 497284122 /nfs/dbraw/zinc/28/41/22/497284122.db2.gz QKOBJIBDFDWWNH-UHFFFAOYSA-N 0 3 362.473 3.435 20 30 FGEDHN N#CCCn1cc(CNC[C@@H]2COc3ccccc3O2)c(-c2ccccc2)n1 ZINC000237830996 497297991 /nfs/dbraw/zinc/29/79/91/497297991.db2.gz DLVSEPSUFHPMQO-LJQANCHMSA-N 0 3 374.444 3.393 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(F)ccc(C)c2Br)CC1 ZINC000279061824 497320814 /nfs/dbraw/zinc/32/08/14/497320814.db2.gz QDKDVPYZXUSSAN-UHFFFAOYSA-N 0 3 355.251 3.277 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(OC3CCCC3)nc2)cc1 ZINC000279287036 497394090 /nfs/dbraw/zinc/39/40/90/497394090.db2.gz KTPZBESOBUYVJD-IBGZPJMESA-N 0 3 374.444 3.273 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC3CCCC3)CC2)cc1 ZINC000279344648 497412562 /nfs/dbraw/zinc/41/25/62/497412562.db2.gz QAVAZMIBXCTEGO-SFHVURJKSA-N 0 3 351.450 3.191 20 30 FGEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000279412946 497432279 /nfs/dbraw/zinc/43/22/79/497432279.db2.gz FBJVPRWRDIQGCV-NDXORKPFSA-N 0 3 363.461 3.025 20 30 FGEDHN CC(C)COC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279442827 497440282 /nfs/dbraw/zinc/44/02/82/497440282.db2.gz ROLDRPYNXLOBSE-UHFFFAOYSA-N 0 3 367.497 3.496 20 30 FGEDHN COc1cccc2c1CCN(CCOc1ccc(C#N)cc1OC)CC2 ZINC000193704311 497451857 /nfs/dbraw/zinc/45/18/57/497451857.db2.gz ZAQQDYQRQWCFQU-UHFFFAOYSA-N 0 3 352.434 3.055 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245573125 497462185 /nfs/dbraw/zinc/46/21/85/497462185.db2.gz YSPCZBBSBYQAFF-XSYGEPLQSA-N 0 3 357.498 3.051 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2CC)cc1OC ZINC000190423503 497473756 /nfs/dbraw/zinc/47/37/56/497473756.db2.gz VCJBFBPFIVRLCI-PXNSSMCTSA-N 0 3 371.481 3.486 20 30 FGEDHN C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000271889155 497480535 /nfs/dbraw/zinc/48/05/35/497480535.db2.gz RNAOJTVUILAMAB-INIZCTEOSA-N 0 3 367.449 3.393 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1O2 ZINC000193956876 497532108 /nfs/dbraw/zinc/53/21/08/497532108.db2.gz ZFUXPMBRKIPETO-IBGZPJMESA-N 0 3 361.445 3.276 20 30 FGEDHN C=CCC[C@@H](NC1CCN(S(=O)(=O)CC(C)C)CC1)c1ccco1 ZINC000276431407 497573672 /nfs/dbraw/zinc/57/36/72/497573672.db2.gz IXJKKFDEPDIXQC-QGZVFWFLSA-N 0 3 354.516 3.327 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000267704465 497603009 /nfs/dbraw/zinc/60/30/09/497603009.db2.gz JKSHNFJXVCJBFB-UHFFFAOYSA-N 0 3 365.399 3.007 20 30 FGEDHN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279986299 497610626 /nfs/dbraw/zinc/61/06/26/497610626.db2.gz KBPCSPIHFLTNPL-PMACEKPBSA-N 0 3 373.456 3.485 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@H]2C1 ZINC000272411081 497621332 /nfs/dbraw/zinc/62/13/32/497621332.db2.gz KUOMFYWWOIWMOW-NQIIRXRSSA-N 0 3 360.461 3.039 20 30 FGEDHN COc1cc(OC)cc([C@H]2CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000246133446 497632524 /nfs/dbraw/zinc/63/25/24/497632524.db2.gz ZTUQVTOIJHHMTR-LAUBAEHRSA-N 0 3 352.434 3.098 20 30 FGEDHN C=CCN(CCOC)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000191129738 497719069 /nfs/dbraw/zinc/71/90/69/497719069.db2.gz OZVAIVFIVATXJE-AWEZNQCLSA-N 0 3 361.511 3.208 20 30 FGEDHN C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C1=CCN(C)CC1 ZINC000272841107 497743017 /nfs/dbraw/zinc/74/30/17/497743017.db2.gz ZSFOHWINBXDWEE-OAHLLOKOSA-N 0 3 365.433 3.110 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272844850 497743353 /nfs/dbraw/zinc/74/33/53/497743353.db2.gz NOQPNTZBGZIFCF-IBGZPJMESA-N 0 3 370.884 3.371 20 30 FGEDHN CN(C)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000575152024 505931795 /nfs/dbraw/zinc/93/17/95/505931795.db2.gz IFRPUYFDKVEEFH-LJQANCHMSA-N 0 3 371.481 3.350 20 30 FGEDHN CN1CCC(NC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000329572541 497833166 /nfs/dbraw/zinc/83/31/66/497833166.db2.gz RBGIHHXPLXYWMC-INIZCTEOSA-N 0 3 374.533 3.040 20 30 FGEDHN COc1ccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2ccccc2)c(OC)c1 ZINC000284593996 497837252 /nfs/dbraw/zinc/83/72/52/497837252.db2.gz YDDRKZWXSMJCMR-UHFFFAOYSA-O 0 3 371.482 3.072 20 30 FGEDHN N#Cc1c(NC(=O)CCN2C[C@@H]3C[C@H]2CS3)sc2c1CCCCC2 ZINC000569446289 505937644 /nfs/dbraw/zinc/93/76/44/505937644.db2.gz QNMFRLMCUIDELK-STQMWFEESA-N 0 3 361.536 3.407 20 30 FGEDHN N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)cn1 ZINC000329684029 497869295 /nfs/dbraw/zinc/86/92/95/497869295.db2.gz XXSNZFNEKVSZPS-KRWDZBQOSA-N 0 3 350.426 3.134 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000329722045 497880320 /nfs/dbraw/zinc/88/03/20/497880320.db2.gz NFVYOPZPZIHWAN-YLJYHZDGSA-N 0 3 371.525 3.316 20 30 FGEDHN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)cc2F)n1 ZINC000329795741 497904323 /nfs/dbraw/zinc/90/43/23/497904323.db2.gz DDGBCLOXCSPEOI-KZULUSFZSA-N 0 3 356.445 3.416 20 30 FGEDHN N#Cc1ccncc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000578461163 505945210 /nfs/dbraw/zinc/94/52/10/505945210.db2.gz RNGVWOFJTQJWJP-JOCHJYFZSA-N 0 3 360.461 3.082 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000569486871 505946643 /nfs/dbraw/zinc/94/66/43/505946643.db2.gz NFRZODLIRBVARB-OAHLLOKOSA-N 0 3 363.870 3.315 20 30 FGEDHN COCC[C@H]1CCCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329812104 497911093 /nfs/dbraw/zinc/91/10/93/497911093.db2.gz CENKWVQOLXRHII-QUCCMNQESA-N 0 3 355.482 3.192 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000280904749 497943103 /nfs/dbraw/zinc/94/31/03/497943103.db2.gz GGYSQOYYAXAGBE-PBASOCQRSA-N 0 3 371.525 3.177 20 30 FGEDHN CN1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C2(CCCCC2)C1 ZINC000329911334 497949514 /nfs/dbraw/zinc/94/95/14/497949514.db2.gz NTAFQVFPLIFWJV-UHFFFAOYSA-N 0 3 351.454 3.059 20 30 FGEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329937644 497960808 /nfs/dbraw/zinc/96/08/08/497960808.db2.gz DQNKKHBGIUKWDQ-DLBZAZTESA-N 0 3 365.543 3.052 20 30 FGEDHN Cc1nnc([C@H]2CC23CCN(CCCOc2cccc(C#N)c2)CC3)o1 ZINC000364445464 497961405 /nfs/dbraw/zinc/96/14/05/497961405.db2.gz 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ZINC000301256638 498025127 /nfs/dbraw/zinc/02/51/27/498025127.db2.gz UBDICICTNOAYED-UHFFFAOYSA-N 0 3 364.493 3.382 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000330145741 498038472 /nfs/dbraw/zinc/03/84/72/498038472.db2.gz HMCZLSSRYBSJSF-JLZZUVOBSA-N 0 3 361.461 3.414 20 30 FGEDHN CC(C(=O)NC1(c2ccccc2)CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330148886 498041144 /nfs/dbraw/zinc/04/11/44/498041144.db2.gz JTRDHXCHXRIJBC-HNNXBMFYSA-N 0 3 365.495 3.395 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N[C@H]2CCCc3c[nH]nc32)N2CCCC2)cc1 ZINC000330154938 498043327 /nfs/dbraw/zinc/04/33/27/498043327.db2.gz YBBJLBPSISZJII-OALUTQOASA-N 0 3 367.497 3.436 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CN1Cc1ccccc1 ZINC000330220895 498067382 /nfs/dbraw/zinc/06/73/82/498067382.db2.gz QQCPQHZTOCOGNO-MJKGWSOKSA-N 0 3 368.481 3.117 20 30 FGEDHN C#Cc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000289286667 498091585 /nfs/dbraw/zinc/09/15/85/498091585.db2.gz 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ZINC000364848388 498171478 /nfs/dbraw/zinc/17/14/78/498171478.db2.gz QJNYMWZJFOVXSX-GOSISDBHSA-N 0 3 359.477 3.206 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000285727621 498184347 /nfs/dbraw/zinc/18/43/47/498184347.db2.gz GEZBGYPCNURYIW-UHFFFAOYSA-N 0 3 354.841 3.253 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000281567021 498197253 /nfs/dbraw/zinc/19/72/53/498197253.db2.gz OJJBKXDZHOEWQZ-PZJWPPBQSA-N 0 3 371.525 3.274 20 30 FGEDHN CCO[C@@H]1C[C@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000281609026 498211432 /nfs/dbraw/zinc/21/14/32/498211432.db2.gz OZPWQIINVNSEKZ-GBESFXJTSA-N 0 3 351.450 3.047 20 30 FGEDHN CN(C)CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000293010740 498232882 /nfs/dbraw/zinc/23/28/82/498232882.db2.gz PSHHINLRDIFFGR-UHFFFAOYSA-N 0 3 362.355 3.180 20 30 FGEDHN CCCc1nc(C)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000293034551 498244063 /nfs/dbraw/zinc/24/40/63/498244063.db2.gz NWLYTHNLIBINDE-UHFFFAOYSA-N 0 3 354.454 3.011 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[C@@H](CC#N)C3)c2)CC1 ZINC000296943246 498260411 /nfs/dbraw/zinc/26/04/11/498260411.db2.gz QTIADXJQPAQZFW-WMZOPIPTSA-N 0 3 355.486 3.032 20 30 FGEDHN C[C@H]1CN(CC2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 ZINC000289749717 498275721 /nfs/dbraw/zinc/27/57/21/498275721.db2.gz LANHMDVURCIPAS-GJZGRUSLSA-N 0 3 374.460 3.050 20 30 FGEDHN CN(C)[C@@]1(CNC(=O)c2cccc(C#N)c2Br)CCSC1 ZINC000331314934 498299506 /nfs/dbraw/zinc/29/95/06/498299506.db2.gz IIQWFULPYGHBIF-OAHLLOKOSA-N 0 3 368.300 3.063 20 30 FGEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000281879064 498302834 /nfs/dbraw/zinc/30/28/34/498302834.db2.gz PEPJJUASYRMLPJ-IEBWSBKVSA-N 0 3 373.497 3.218 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000578766063 506016021 /nfs/dbraw/zinc/01/60/21/506016021.db2.gz BWXGDFIXVQKEEW-ZQIUZPCESA-N 0 3 361.467 3.169 20 30 FGEDHN CN1CC[C@]2(CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C2)C1 ZINC000293293364 498334639 /nfs/dbraw/zinc/33/46/39/498334639.db2.gz KIBIVDNWFFUYNG-QFIPXVFZSA-N 0 3 360.461 3.041 20 30 FGEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000289898629 498343519 /nfs/dbraw/zinc/34/35/19/498343519.db2.gz QWHYQBQQAUDYPE-MWLCHTKSSA-N 0 3 350.768 3.212 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCc3ccc(C(C)=O)cc3CC2)CC1 ZINC000361168531 498355129 /nfs/dbraw/zinc/35/51/29/498355129.db2.gz OIZGHQMHOHSFSS-UHFFFAOYSA-N 0 3 369.509 3.040 20 30 FGEDHN Cc1nsc(NC(=O)NC2CCN(CCc3ccccc3)CC2)c1C#N ZINC000297361907 498421362 /nfs/dbraw/zinc/42/13/62/498421362.db2.gz GUXPLRPVISEQLB-UHFFFAOYSA-N 0 3 369.494 3.152 20 30 FGEDHN Cn1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000293623824 498432047 /nfs/dbraw/zinc/43/20/47/498432047.db2.gz KYBPYVFCOFOUOG-OAQYLSRUSA-N 0 3 362.477 3.350 20 30 FGEDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000572714767 506034277 /nfs/dbraw/zinc/03/42/77/506034277.db2.gz YAKKRUHPBOQPIH-GOSISDBHSA-N 0 3 363.461 3.082 20 30 FGEDHN CCN1CCN(c2cccc(Nc3ccc(C#N)cc3[N+](=O)[O-])c2)CC1 ZINC000302241302 498457352 /nfs/dbraw/zinc/45/73/52/498457352.db2.gz IHFDKVNWUVONJJ-UHFFFAOYSA-N 0 3 351.410 3.352 20 30 FGEDHN C=CCc1cc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)cc(OC)c1O ZINC000569893022 506039715 /nfs/dbraw/zinc/03/97/15/506039715.db2.gz YVDKNEYBKWWXSN-DENIHFKCSA-N 0 3 353.462 3.385 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000297591054 498504477 /nfs/dbraw/zinc/50/44/77/498504477.db2.gz VCEKKEHQDRDATR-QGZVFWFLSA-N 0 3 360.527 3.346 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000282443321 498515680 /nfs/dbraw/zinc/51/56/80/498515680.db2.gz VCJDVYVJCAEXNZ-UHFFFAOYSA-N 0 3 358.335 3.051 20 30 FGEDHN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(F)(F)CC1 ZINC000286912931 498551257 /nfs/dbraw/zinc/55/12/57/498551257.db2.gz JWZMMPDSQUQRLZ-UHFFFAOYSA-N 0 3 373.407 3.192 20 30 FGEDHN C#CCN(C)CCCNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000294004760 498559405 /nfs/dbraw/zinc/55/94/05/498559405.db2.gz PECUGIBNUARFCD-UHFFFAOYSA-N 0 3 373.497 3.038 20 30 FGEDHN C=CCN(Cc1nc([C@@H](C)OCC)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000362937069 498584331 /nfs/dbraw/zinc/58/43/31/498584331.db2.gz YXGNYVLSHQMTSQ-IEBWSBKVSA-N 0 3 370.497 3.430 20 30 FGEDHN C=C(C)COc1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000290599386 498613939 /nfs/dbraw/zinc/61/39/39/498613939.db2.gz VVSJZTKYERAUMO-GOSISDBHSA-N 0 3 358.482 3.094 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365749128 498623219 /nfs/dbraw/zinc/62/32/19/498623219.db2.gz FNEJZKDANLQOMI-MSOLQXFVSA-N 0 3 363.436 3.291 20 30 FGEDHN N#CCc1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000365774863 498634766 /nfs/dbraw/zinc/63/47/66/498634766.db2.gz VIDIPAQTRWJAGW-YADHBBJMSA-N 0 3 359.473 3.347 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C(C)(C)C2)cc1 ZINC000287160091 498653918 /nfs/dbraw/zinc/65/39/18/498653918.db2.gz MTBFKMFPOYQUPF-KGLIPLIRSA-N 0 3 363.483 3.272 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](CO)c1ccccc1 ZINC000298171121 498684232 /nfs/dbraw/zinc/68/42/32/498684232.db2.gz QLFQRMIPZBNWQH-KRWDZBQOSA-N 0 3 369.490 3.102 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCN1CC ZINC000303792959 498715406 /nfs/dbraw/zinc/71/54/06/498715406.db2.gz KEKAPUPDBPCVFI-CQSZACIVSA-N 0 3 356.388 3.484 20 30 FGEDHN Cc1ccnc(C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000287413933 498747963 /nfs/dbraw/zinc/74/79/63/498747963.db2.gz FIWWMWBTWAWODE-UHFFFAOYSA-N 0 3 351.454 3.166 20 30 FGEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000291059844 498777198 /nfs/dbraw/zinc/77/71/98/498777198.db2.gz CYTHELILXJNUMM-PWRODBHTSA-N 0 3 369.509 3.339 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1C ZINC000283130189 498789916 /nfs/dbraw/zinc/78/99/16/498789916.db2.gz ZEWCEXKGSTZKCQ-BXUZGUMPSA-N 0 3 370.375 3.403 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000579091661 506092437 /nfs/dbraw/zinc/09/24/37/506092437.db2.gz KXHGULKXZRNAJV-BHIFYINESA-N 0 3 359.473 3.443 20 30 FGEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000298543060 498807876 /nfs/dbraw/zinc/80/78/76/498807876.db2.gz NJLSHWZPVZJKLR-GOSISDBHSA-N 0 3 357.479 3.298 20 30 FGEDHN CC(C)c1nccn1C[C@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000363567920 498882730 /nfs/dbraw/zinc/88/27/30/498882730.db2.gz LLVICWXEAIDGIZ-MRXNPFEDSA-N 0 3 371.510 3.433 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000366341913 498882815 /nfs/dbraw/zinc/88/28/15/498882815.db2.gz MEUVLXAXQCEPPH-UXHICEINSA-N 0 3 369.428 3.064 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cn[nH]c1 ZINC000298818768 498887396 /nfs/dbraw/zinc/88/73/96/498887396.db2.gz BEAUJMVODGJKRY-NEPJUHHUSA-N 0 3 357.483 3.147 20 30 FGEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000328690863 498903572 /nfs/dbraw/zinc/90/35/72/498903572.db2.gz IOXCUQKHIKNAIQ-YSVLISHTSA-N 0 3 357.454 3.486 20 30 FGEDHN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000328838839 498956520 /nfs/dbraw/zinc/95/65/20/498956520.db2.gz NOMXSRFRZWOZSU-WCIQWLHISA-N 0 3 369.509 3.112 20 30 FGEDHN Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C2CC2)cc1 ZINC000328843492 498958414 /nfs/dbraw/zinc/95/84/14/498958414.db2.gz UWXQWZCTKCOGMD-IIZPIQPGSA-N 0 3 372.509 3.264 20 30 FGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(Br)cc1C#N ZINC000295283828 498966647 /nfs/dbraw/zinc/96/66/47/498966647.db2.gz IRDZUAIIGDHHAV-DOMZBBRYSA-N 0 3 362.271 3.020 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cnn(C)c1 ZINC000299337166 499029258 /nfs/dbraw/zinc/02/92/58/499029258.db2.gz OPLOVFVJAHBLMC-STQMWFEESA-N 0 3 371.510 3.157 20 30 FGEDHN C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ncc(Br)cn1 ZINC000329108479 499044475 /nfs/dbraw/zinc/04/44/75/499044475.db2.gz IMHBEOGQKHHWNL-SNVBAGLBSA-N 0 3 353.264 3.131 20 30 FGEDHN Cc1csc2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cc(=O)n12 ZINC000299401105 499047770 /nfs/dbraw/zinc/04/77/70/499047770.db2.gz VTNZUPMAMOZMQS-UHFFFAOYSA-N 0 3 352.463 3.347 20 30 FGEDHN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCC1=CCN(C)CC1 ZINC000329185319 499065152 /nfs/dbraw/zinc/06/51/52/499065152.db2.gz GGUAUFPXIJHVFO-UHFFFAOYSA-N 0 3 353.470 3.456 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291784632 499066377 /nfs/dbraw/zinc/06/63/77/499066377.db2.gz XVMJHWBZZPQEPO-QIIPPGSGSA-N 0 3 350.374 3.220 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000329209807 499072847 /nfs/dbraw/zinc/07/28/47/499072847.db2.gz CHARNOOXHGLBSH-VQIMIIECSA-N 0 3 367.497 3.339 20 30 FGEDHN C[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)N1CCC[C@@H](C)C1 ZINC000329240151 499081595 /nfs/dbraw/zinc/08/15/95/499081595.db2.gz QUBQYFLABOLIFV-KCYZZUKISA-N 0 3 352.523 3.144 20 30 FGEDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000364024429 499090023 /nfs/dbraw/zinc/09/00/23/499090023.db2.gz XUGVXVCXOJWAKG-HKUYNNGSSA-N 0 3 355.388 3.184 20 30 FGEDHN O=C(NCC1(N2CCCC2)CCOCC1)c1csc(C(F)(F)F)n1 ZINC000329285482 499091921 /nfs/dbraw/zinc/09/19/21/499091921.db2.gz OIVCYNCDFAAMDW-UHFFFAOYSA-N 0 3 363.405 3.112 20 30 FGEDHN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000364043066 499096849 /nfs/dbraw/zinc/09/68/49/499096849.db2.gz QTUNUHRWANVZQO-KSSFIOAISA-N 0 3 366.431 3.039 20 30 FGEDHN CCCc1cc[n+](C(C(=O)c2nccs2)C(=S)[N-]C2(C)CC2)cc1 ZINC000284394531 499101067 /nfs/dbraw/zinc/10/10/67/499101067.db2.gz MRJUTBVVCRBQBD-UHFFFAOYSA-O 0 3 360.528 3.464 20 30 FGEDHN COC[C@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000364148021 499124005 /nfs/dbraw/zinc/12/40/05/499124005.db2.gz IENXBSMKMIUYPQ-SJORKVTESA-N 0 3 361.461 3.209 20 30 FGEDHN C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1=CCN(C)CC1 ZINC000329510297 499128600 /nfs/dbraw/zinc/12/86/00/499128600.db2.gz MQAKIPAYWJTZBI-GDIGMMSISA-N 0 3 361.461 3.200 20 30 FGEDHN CN1CCC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1c1cccs1 ZINC000329522365 499129010 /nfs/dbraw/zinc/12/90/10/499129010.db2.gz PJKLMAXAAUFKKZ-CFVWQIKISA-N 0 3 364.511 3.139 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000329537301 499129518 /nfs/dbraw/zinc/12/95/18/499129518.db2.gz BMSAIKQIKCOFPN-UYAOXDASSA-N 0 3 371.525 3.459 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000372676523 499159483 /nfs/dbraw/zinc/15/94/83/499159483.db2.gz QQHUQEICTZXNPP-OAQYLSRUSA-N 0 3 366.534 3.031 20 30 FGEDHN N#CCOc1ccccc1C(=O)NC[C@H]1CCCN1CCc1ccccc1 ZINC000370221935 499198999 /nfs/dbraw/zinc/19/89/99/499198999.db2.gz WTXRUIPPCDEFBD-LJQANCHMSA-N 0 3 363.461 3.026 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)c2ccccc2O1 ZINC000370504987 499227005 /nfs/dbraw/zinc/22/70/05/499227005.db2.gz OMOQCWZDOQBDSW-MRXNPFEDSA-N 0 3 367.474 3.272 20 30 FGEDHN C[C@H](NC(=O)NC[C@@H]1CCCN1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370556997 499231424 /nfs/dbraw/zinc/23/14/24/499231424.db2.gz JBUCPWCRVZDUOD-BBRMVZONSA-N 0 3 369.494 3.136 20 30 FGEDHN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000370728534 499248609 /nfs/dbraw/zinc/24/86/09/499248609.db2.gz BILQKVNQBXNHRS-FQEVSTJZSA-N 0 3 368.481 3.432 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(C(=O)Nc3cccnc3)CC2)c1 ZINC000370748929 499251140 /nfs/dbraw/zinc/25/11/40/499251140.db2.gz IFYYYLGIBOKWDQ-UHFFFAOYSA-N 0 3 364.449 3.073 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000368556730 499307159 /nfs/dbraw/zinc/30/71/59/499307159.db2.gz YVWNKJJYIOKVTD-UHFFFAOYSA-N 0 3 369.490 3.283 20 30 FGEDHN CN1CC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000368800011 499333969 /nfs/dbraw/zinc/33/39/69/499333969.db2.gz ZIHABXHKHKRXTJ-LPHOPBHVSA-N 0 3 365.502 3.461 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368805301 499334682 /nfs/dbraw/zinc/33/46/82/499334682.db2.gz MCUYDKFUXKCVPD-HNNXBMFYSA-N 0 3 369.490 3.168 20 30 FGEDHN Cc1cc(NC(=O)c2cc(C#N)c[nH]2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000372081913 499397019 /nfs/dbraw/zinc/39/70/19/499397019.db2.gz SVNLQLCBUWTREY-GOSISDBHSA-N 0 3 374.448 3.091 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](COc3ccccc3)C2)CC1 ZINC000369505205 499410130 /nfs/dbraw/zinc/41/01/30/499410130.db2.gz HNOKAWCIEINVTG-SFHVURJKSA-N 0 3 357.498 3.137 20 30 FGEDHN CN1CC[C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000369788394 499443280 /nfs/dbraw/zinc/44/32/80/499443280.db2.gz DZGSTCDCMYKXTB-KSSFIOAISA-N 0 3 372.469 3.251 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2NCc2cccnc2OCC(F)(F)F)O1 ZINC000373225712 499458554 /nfs/dbraw/zinc/45/85/54/499458554.db2.gz CMDIZZKKDFQRIV-FPCVCCKLSA-N 0 3 369.387 3.352 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2NCc2cccnc2OCC(F)(F)F)O1 ZINC000373225716 499458669 /nfs/dbraw/zinc/45/86/69/499458669.db2.gz CMDIZZKKDFQRIV-LVQVYYBASA-N 0 3 369.387 3.352 20 30 FGEDHN N#C[C@@H]1N(C(=O)c2ccc(CN3CCCC3)cc2)CCC[C@@]12CCCCO2 ZINC000373375041 499466090 /nfs/dbraw/zinc/46/60/90/499466090.db2.gz CZUDJTFLSXGCCJ-UNMCSNQZSA-N 0 3 367.493 3.350 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000373451032 499470578 /nfs/dbraw/zinc/47/05/78/499470578.db2.gz AUDGMTFXNYFGFB-INIZCTEOSA-N 0 3 372.403 3.446 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000373525955 499474954 /nfs/dbraw/zinc/47/49/54/499474954.db2.gz GPRCMRVDTPTWDO-RBBKRZOGSA-N 0 3 369.553 3.222 20 30 FGEDHN COc1ncc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000375269670 499501309 /nfs/dbraw/zinc/50/13/09/499501309.db2.gz RCPZNNHNRDMJJV-ZDUSSCGKSA-N 0 3 371.872 3.330 20 30 FGEDHN CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000378534394 499529061 /nfs/dbraw/zinc/52/90/61/499529061.db2.gz CRKVEAGDFVDFDJ-RHSMWYFYSA-N 0 3 366.469 3.363 20 30 FGEDHN C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1=CCN(C)CC1 ZINC000378584953 499534499 /nfs/dbraw/zinc/53/44/99/499534499.db2.gz VASDCMNCTHVYGS-MRXNPFEDSA-N 0 3 350.466 3.007 20 30 FGEDHN CN(C(=O)COc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388154260 499550288 /nfs/dbraw/zinc/55/02/88/499550288.db2.gz HDFVPPNPCRCKGZ-HXUWFJFHSA-N 0 3 363.461 3.060 20 30 FGEDHN CN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388146205 499550357 /nfs/dbraw/zinc/55/03/57/499550357.db2.gz FJXPXCLPINDONE-HXUWFJFHSA-N 0 3 363.461 3.060 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000375922116 499568769 /nfs/dbraw/zinc/56/87/69/499568769.db2.gz UDSIYBMYHAFHRL-WOJBJXKFSA-N 0 3 351.450 3.048 20 30 FGEDHN N#Cc1ccc(F)c(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000404219363 499570062 /nfs/dbraw/zinc/57/00/62/499570062.db2.gz YYERGTSLILBJLI-FCHUYYIVSA-N 0 3 365.452 3.173 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)c1ccccc1 ZINC000376340338 499601766 /nfs/dbraw/zinc/60/17/66/499601766.db2.gz WKGZOFTUHCLKFD-FCHUYYIVSA-N 0 3 369.553 3.363 20 30 FGEDHN C=C(CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000376792462 499634601 /nfs/dbraw/zinc/63/46/01/499634601.db2.gz MUBGDOHUJYELJJ-FQEVSTJZSA-N 0 3 364.493 3.306 20 30 FGEDHN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)C(C)C#N)c(Br)c1 ZINC000410104019 499641981 /nfs/dbraw/zinc/64/19/81/499641981.db2.gz PQWUQFONOTZHME-HIFRSBDPSA-N 0 3 365.271 3.425 20 30 FGEDHN Cn1cc(CNCc2ccc3c(c2)CCN3C)c(-c2ccc(C#N)cc2)n1 ZINC000376874327 499642813 /nfs/dbraw/zinc/64/28/13/499642813.db2.gz ZZZPOSDAWNCJSD-UHFFFAOYSA-N 0 3 357.461 3.241 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000377151382 499666185 /nfs/dbraw/zinc/66/61/85/499666185.db2.gz CSAKYXXPHPPFDW-NJYVYQBISA-N 0 3 361.445 3.001 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000377260670 499674935 /nfs/dbraw/zinc/67/49/35/499674935.db2.gz FFWFBQVJXBHEBU-VQIMIIECSA-N 0 3 354.429 3.443 20 30 FGEDHN C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(C#N)cc1Cl ZINC000378179983 499762376 /nfs/dbraw/zinc/76/23/76/499762376.db2.gz OEAHRYZGKONNSH-RDTXWAMCSA-N 0 3 365.930 3.070 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2 ZINC000582210845 506159190 /nfs/dbraw/zinc/15/91/90/506159190.db2.gz LHEXQYIOPWNQEC-RBBKRZOGSA-N 0 3 359.473 3.369 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1 ZINC000414985290 499851599 /nfs/dbraw/zinc/85/15/99/499851599.db2.gz HJPLYPBYNAQSAW-HXUWFJFHSA-N 0 3 363.461 3.095 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000412566440 499864146 /nfs/dbraw/zinc/86/41/46/499864146.db2.gz FEVNZSXBTNTRKZ-HNNXBMFYSA-N 0 3 367.449 3.249 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCN2 ZINC000415850509 499922547 /nfs/dbraw/zinc/92/25/47/499922547.db2.gz NUSIADYXSFAIEW-UHFFFAOYSA-N 0 3 363.465 3.122 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415974761 499936080 /nfs/dbraw/zinc/93/60/80/499936080.db2.gz SDPBWHIYHRGOJQ-IUODEOHRSA-N 0 3 357.376 3.267 20 30 FGEDHN Cc1cc(NC(=O)NCc2ccc(CN(C)C)cc2)c(C#N)cc1N(C)C ZINC000417132835 499983113 /nfs/dbraw/zinc/98/31/13/499983113.db2.gz VGJSAKDDYKGCFY-UHFFFAOYSA-N 0 3 365.481 3.316 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000413581014 499997131 /nfs/dbraw/zinc/99/71/31/499997131.db2.gz LPGBVSMDCDAASN-SFHVURJKSA-N 0 3 361.555 3.300 20 30 FGEDHN Cc1cccc([C@@H](CNCc2ccc(C#N)c(F)c2)N2CCOCC2)c1 ZINC000421322365 500016661 /nfs/dbraw/zinc/01/66/61/500016661.db2.gz DMJPWEFNAMOFDZ-OAQYLSRUSA-N 0 3 353.441 3.169 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)CC1 ZINC000582257555 506170584 /nfs/dbraw/zinc/17/05/84/506170584.db2.gz FQRWFUMZZVBGRH-UHFFFAOYSA-N 0 3 374.488 3.119 20 30 FGEDHN N#Cc1ccc(CNc2ccccc2CN2CCC[C@H](C(N)=O)C2)cc1F ZINC000421332100 500018681 /nfs/dbraw/zinc/01/86/81/500018681.db2.gz FJGAUCVHZDEPEB-SFHVURJKSA-N 0 3 366.440 3.007 20 30 FGEDHN COc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)ccc1OCCN(C)C ZINC000416336409 500019245 /nfs/dbraw/zinc/01/92/45/500019245.db2.gz ZJSOVTVNCSTMFN-HNNXBMFYSA-N 0 3 367.449 3.249 20 30 FGEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000421364446 500026779 /nfs/dbraw/zinc/02/67/79/500026779.db2.gz OJGCSJGRPJOIPO-FGZHOGPDSA-N 0 3 367.468 3.467 20 30 FGEDHN COc1cc(OC)c(C[C@@H](C)NCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000421384523 500035213 /nfs/dbraw/zinc/03/52/13/500035213.db2.gz PAIKEQYHHYRUQS-CYBMUJFWSA-N 0 3 358.413 3.444 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000425236300 500052120 /nfs/dbraw/zinc/05/21/20/500052120.db2.gz JOQZSQKKBOPWIX-CYBMUJFWSA-N 0 3 366.425 3.081 20 30 FGEDHN N#CC1(c2ccc(C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)cc2)CC1 ZINC000582277738 506174389 /nfs/dbraw/zinc/17/43/89/506174389.db2.gz WJFMLNUAMUPILQ-FQEVSTJZSA-N 0 3 361.445 3.061 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413897443 500089992 /nfs/dbraw/zinc/08/99/92/500089992.db2.gz DSZALVDUEYOKHH-AWEZNQCLSA-N 0 3 371.412 3.044 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000421707969 500124975 /nfs/dbraw/zinc/12/49/75/500124975.db2.gz YTRBLGILRXJFRA-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](c1ccccc1)C(C)(C)CO ZINC000429725535 500132413 /nfs/dbraw/zinc/13/24/13/500132413.db2.gz YQTCIIOZRBQZLJ-HXUWFJFHSA-N 0 3 354.450 3.295 20 30 FGEDHN CCN(CCc1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000425539552 500138663 /nfs/dbraw/zinc/13/86/63/500138663.db2.gz MYSDLKDMDIRSPV-AWEZNQCLSA-N 0 3 355.404 3.330 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C12CCCCC2 ZINC000429790406 500145991 /nfs/dbraw/zinc/14/59/91/500145991.db2.gz TYGDAVJOSYDIQA-KZNAEPCWSA-N 0 3 361.530 3.435 20 30 FGEDHN CN(CC#Cc1ccccc1Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425940631 500214409 /nfs/dbraw/zinc/21/44/09/500214409.db2.gz XIUSHQLWTOWDTM-JOCHJYFZSA-N 0 3 368.908 3.260 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418137522 500235396 /nfs/dbraw/zinc/23/53/96/500235396.db2.gz RSUSKVYCCLCICN-AABGKKOBSA-N 0 3 353.466 3.120 20 30 FGEDHN CN(C)C(=O)COc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418147156 500236922 /nfs/dbraw/zinc/23/69/22/500236922.db2.gz QMYHUEVUUBXCRI-FQEVSTJZSA-N 0 3 363.461 3.192 20 30 FGEDHN COC(=O)CCn1nc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000418154362 500238713 /nfs/dbraw/zinc/23/87/13/500238713.db2.gz ZYHNCZUSTWCLAO-HXUWFJFHSA-N 0 3 366.465 3.102 20 30 FGEDHN C=CC[C@@H](C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1)c1ccccc1 ZINC000427149547 500359758 /nfs/dbraw/zinc/35/97/58/500359758.db2.gz HSNRHULSNHNADO-TZIWHRDSSA-N 0 3 368.477 3.286 20 30 FGEDHN C=CCNC(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000427168100 500362472 /nfs/dbraw/zinc/36/24/72/500362472.db2.gz RZFFTOBHGYPOSL-NRFANRHFSA-N 0 3 364.493 3.444 20 30 FGEDHN COCCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000424092941 500451636 /nfs/dbraw/zinc/45/16/36/500451636.db2.gz IHQPKFXUHWJYGD-CJNGLKHVSA-N 0 3 371.403 3.263 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000424124657 500457948 /nfs/dbraw/zinc/45/79/48/500457948.db2.gz MJUGABNZGQTMPJ-LLVKDONJSA-N 0 3 366.195 3.232 20 30 FGEDHN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](N)CCCC#N)s2)cc1 ZINC000424131361 500459001 /nfs/dbraw/zinc/45/90/01/500459001.db2.gz UXEZFOFDPHVHDA-WBMJQRKESA-N 0 3 372.494 3.326 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000424174827 500463232 /nfs/dbraw/zinc/46/32/32/500463232.db2.gz POLLKUODVYHCNC-MRXNPFEDSA-N 0 3 353.388 3.433 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000424171569 500463254 /nfs/dbraw/zinc/46/32/54/500463254.db2.gz MFKZMTQPYYWIPH-MRXNPFEDSA-N 0 3 364.287 3.176 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000432390673 500509152 /nfs/dbraw/zinc/50/91/52/500509152.db2.gz ZYVZWFBLRORTIG-OXJNMPFZSA-N 0 3 362.477 3.190 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccccc2Br)s1 ZINC000428538581 500522717 /nfs/dbraw/zinc/52/27/17/500522717.db2.gz QKIKIWPPVUMPFI-GFCCVEGCSA-N 0 3 365.296 3.323 20 30 FGEDHN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433015435 500606787 /nfs/dbraw/zinc/60/67/87/500606787.db2.gz KISAUORPDCSRQP-QRQLOZEOSA-N 0 3 370.497 3.416 20 30 FGEDHN N#CCCC[C@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000433013579 500607268 /nfs/dbraw/zinc/60/72/68/500607268.db2.gz YAVUTRPRHJXPOY-UXHICEINSA-N 0 3 363.461 3.131 20 30 FGEDHN Cc1cccc(CN2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)c1 ZINC000433108210 500627328 /nfs/dbraw/zinc/62/73/28/500627328.db2.gz ZPPFSOCSPMWOHY-QFIPXVFZSA-N 0 3 361.489 3.412 20 30 FGEDHN CC(C)(C)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000576665600 506207242 /nfs/dbraw/zinc/20/72/42/506207242.db2.gz UUJDLGQNPQFEDM-SFHVURJKSA-N 0 3 357.479 3.104 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000433158309 500636618 /nfs/dbraw/zinc/63/66/18/500636618.db2.gz AIWZIZMQXAGHGA-LJQANCHMSA-N 0 3 373.460 3.208 20 30 FGEDHN COc1cc2c(cc1OC)CN(C(=O)C(C#N)CCc1ccccc1)CC2 ZINC000433222776 500650155 /nfs/dbraw/zinc/65/01/55/500650155.db2.gz XEKMLGRQHXBAEB-SFHVURJKSA-N 0 3 364.445 3.361 20 30 FGEDHN CO[C@@H](C)c1nc(CN2CCCN(CCCSCC#N)CC2)cs1 ZINC000437546448 500658724 /nfs/dbraw/zinc/65/87/24/500658724.db2.gz MNROUPSKNUBITL-HNNXBMFYSA-N 0 3 368.572 3.005 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000433319279 500671463 /nfs/dbraw/zinc/67/14/63/500671463.db2.gz QSCALDIIWMFLPU-NRFANRHFSA-N 0 3 363.461 3.380 20 30 FGEDHN COc1ccccc1O[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433363577 500681418 /nfs/dbraw/zinc/68/14/18/500681418.db2.gz HVBOKJDUEAQLMD-WMZOPIPTSA-N 0 3 352.434 3.351 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000447888485 500685554 /nfs/dbraw/zinc/68/55/54/500685554.db2.gz KVJLYRNYNGMUQJ-GTCCEBARSA-N 0 3 369.509 3.221 20 30 FGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000448043424 500711634 /nfs/dbraw/zinc/71/16/34/500711634.db2.gz NRWCFMJMAIOMBM-FQEVSTJZSA-N 0 3 366.509 3.477 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CC1 ZINC000448581762 500777111 /nfs/dbraw/zinc/77/71/11/500777111.db2.gz LIJRJSUNRAUIPR-KRWDZBQOSA-N 0 3 356.495 3.161 20 30 FGEDHN Cc1cc(CNc2cccc(CN3CCC(C(N)=O)CC3)c2)ccc1C#N ZINC000443960543 500783869 /nfs/dbraw/zinc/78/38/69/500783869.db2.gz GWILCKWYEPOBTB-UHFFFAOYSA-N 0 3 362.477 3.176 20 30 FGEDHN Cc1cc(CNc2ccccc2CN2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000444002431 500789813 /nfs/dbraw/zinc/78/98/13/500789813.db2.gz FTXMQJHZKNKYED-HXUWFJFHSA-N 0 3 362.477 3.176 20 30 FGEDHN C=CCOc1ccc(CN([C@H](C)C(=O)NC(=O)NCC)C(C)(C)C)cc1 ZINC000438591483 500806236 /nfs/dbraw/zinc/80/62/36/500806236.db2.gz WHJRCJSDTVMKEO-OAHLLOKOSA-N 0 3 361.486 3.086 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1Br)N1CCC[C@H](C)C1 ZINC000448704721 500809010 /nfs/dbraw/zinc/80/90/10/500809010.db2.gz OEJGGUSMWQNVBB-STQMWFEESA-N 0 3 364.287 3.171 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000448737393 500819215 /nfs/dbraw/zinc/81/92/15/500819215.db2.gz MEKQGCDLURYXFE-FQEVSTJZSA-N 0 3 364.493 3.398 20 30 FGEDHN CS[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H]1N(C)C ZINC000444331856 500835483 /nfs/dbraw/zinc/83/54/83/500835483.db2.gz QJELLZSVCJDIAG-RBUKOAKNSA-N 0 3 370.522 3.063 20 30 FGEDHN Cc1nc(SCC(=O)NCCN2CCCC(C)(C)C2)c(C#N)c(C)c1C ZINC000444609825 500866364 /nfs/dbraw/zinc/86/63/64/500866364.db2.gz NUWSSSBVOBNACQ-UHFFFAOYSA-N 0 3 374.554 3.209 20 30 FGEDHN CN(CCc1ccccc1O)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434981331 500919261 /nfs/dbraw/zinc/91/92/61/500919261.db2.gz JOSNFVUOOGDJKS-UHFFFAOYSA-N 0 3 361.449 3.239 20 30 FGEDHN CCO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000449497470 501017476 /nfs/dbraw/zinc/01/74/76/501017476.db2.gz KLZLGEYWYQZREN-LPHOPBHVSA-N 0 3 353.470 3.106 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441044959 501078857 /nfs/dbraw/zinc/07/88/57/501078857.db2.gz XYYODHRZVJWPMU-QRWLVFNGSA-N 0 3 352.434 3.270 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CC1 ZINC000441179545 501099623 /nfs/dbraw/zinc/09/96/23/501099623.db2.gz LJYXYAHBLHVWFD-WWMYMODYSA-N 0 3 361.530 3.016 20 30 FGEDHN N#Cc1cnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])c1 ZINC000450493257 501135237 /nfs/dbraw/zinc/13/52/37/501135237.db2.gz AUNSGMROKNNHRK-UHFFFAOYSA-N 0 3 369.347 3.079 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1 ZINC000436494332 501138735 /nfs/dbraw/zinc/13/87/35/501138735.db2.gz FJVKNVOBSOMWTJ-UHFFFAOYSA-N 0 3 355.486 3.095 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C12CCCC2 ZINC000582467719 506238837 /nfs/dbraw/zinc/23/88/37/506238837.db2.gz LTBIGVKNKIYNIM-KBRIMQKVSA-N 0 3 359.470 3.423 20 30 FGEDHN CCN1CCN(c2ccc(Nc3ncc(C#N)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000450213910 501211539 /nfs/dbraw/zinc/21/15/39/501211539.db2.gz IOVVSYXRFFAFKK-UHFFFAOYSA-N 0 3 366.425 3.055 20 30 FGEDHN C=CCOc1ccc(CC(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1 ZINC000450215444 501212089 /nfs/dbraw/zinc/21/20/89/501212089.db2.gz MPFMXEAIPPIDMD-UHFFFAOYSA-N 0 3 368.477 3.090 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C)C(C)C ZINC000457754689 501301850 /nfs/dbraw/zinc/30/18/50/501301850.db2.gz RQOJTGJDLZRGJL-MSOLQXFVSA-N 0 3 373.545 3.211 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000455461042 501308947 /nfs/dbraw/zinc/30/89/47/501308947.db2.gz CEELLTFTBSEWLF-UHFFFAOYSA-N 0 3 353.426 3.207 20 30 FGEDHN CCO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C ZINC000451540874 501317543 /nfs/dbraw/zinc/31/75/43/501317543.db2.gz LEEQXLHUURGUHC-CJNGLKHVSA-N 0 3 361.511 3.184 20 30 FGEDHN CO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000451550994 501321120 /nfs/dbraw/zinc/32/11/20/501321120.db2.gz VUEHXXNRIZYPPM-XJKSGUPXSA-N 0 3 361.511 3.184 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1F ZINC000455532186 501326319 /nfs/dbraw/zinc/32/63/19/501326319.db2.gz DZSODLZZWOSZSM-FQEVSTJZSA-N 0 3 366.440 3.334 20 30 FGEDHN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453424342 501328592 /nfs/dbraw/zinc/32/85/92/501328592.db2.gz IRYHTPAWIPNDBD-PKOBYXMFSA-N 0 3 367.497 3.059 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1CCCN(C(C)C)CC1 ZINC000453426038 501329259 /nfs/dbraw/zinc/32/92/59/501329259.db2.gz PTZDBWWFENSVDR-UHFFFAOYSA-N 0 3 353.514 3.284 20 30 FGEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453456864 501337217 /nfs/dbraw/zinc/33/72/17/501337217.db2.gz WSKUMQRXHMNJSL-ICBNADEASA-N 0 3 373.545 3.118 20 30 FGEDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000451634339 501340824 /nfs/dbraw/zinc/34/08/24/501340824.db2.gz UHXHKMXNPXPCLH-RTBURBONSA-N 0 3 366.465 3.061 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000451676221 501349055 /nfs/dbraw/zinc/34/90/55/501349055.db2.gz SCYYVDDNZQAJJV-YPMHNXCESA-N 0 3 358.341 3.028 20 30 FGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC000451689186 501350887 /nfs/dbraw/zinc/35/08/87/501350887.db2.gz LGTSHUUXJMDWQC-GXTWGEPZSA-N 0 3 362.271 3.020 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)N(C)CC(C)(C)C#N)CC2)cc1 ZINC000458055394 501363692 /nfs/dbraw/zinc/36/36/92/501363692.db2.gz JRQHFQCAGDGJMR-UHFFFAOYSA-N 0 3 372.513 3.098 20 30 FGEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc(C#N)c1Br ZINC000451764798 501368231 /nfs/dbraw/zinc/36/82/31/501368231.db2.gz WDEPYWWVGAASIJ-IUODEOHRSA-N 0 3 362.271 3.020 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000451775612 501370245 /nfs/dbraw/zinc/37/02/45/501370245.db2.gz RHYFCOJHRAJBCJ-FQEVSTJZSA-N 0 3 352.482 3.426 20 30 FGEDHN C=CCSCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458093488 501370909 /nfs/dbraw/zinc/37/09/09/501370909.db2.gz OWEMJPIWXJVKCY-INIZCTEOSA-N 0 3 353.557 3.230 20 30 FGEDHN Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1OCCN(C)C ZINC000458209848 501393973 /nfs/dbraw/zinc/39/39/73/501393973.db2.gz LHIFANSEOWPPJB-UHFFFAOYSA-N 0 3 363.461 3.477 20 30 FGEDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000452038459 501422880 /nfs/dbraw/zinc/42/28/80/501422880.db2.gz XYRGNGHAWGCTAN-APHBMKBZSA-N 0 3 361.511 3.373 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(C)(C)C#N)CC1 ZINC000455950152 501424272 /nfs/dbraw/zinc/42/42/72/501424272.db2.gz XSZFCEWYLVLIMR-UHFFFAOYSA-N 0 3 364.877 3.484 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000458756973 501523851 /nfs/dbraw/zinc/52/38/51/501523851.db2.gz FCBUMJSVHVMCPQ-IFXJQAMLSA-N 0 3 354.429 3.188 20 30 FGEDHN C[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)N(C)Cc1ccccc1 ZINC000454484555 501557221 /nfs/dbraw/zinc/55/72/21/501557221.db2.gz JCCLFFJMSUTWNR-OAHLLOKOSA-N 0 3 354.429 3.017 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000602681991 506260347 /nfs/dbraw/zinc/26/03/47/506260347.db2.gz OXZBBUXTIPMZQK-BRSBDYLESA-N 0 3 360.502 3.069 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000459034726 501580709 /nfs/dbraw/zinc/58/07/09/501580709.db2.gz SKAWDFXTBKCXIT-AFYVEPGGSA-N 0 3 357.498 3.024 20 30 FGEDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C[C@@H]21 ZINC000452976552 501595583 /nfs/dbraw/zinc/59/55/83/501595583.db2.gz OYHGZHHMOLAWHJ-MJGOQNOKSA-N 0 3 363.486 3.486 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459130514 501600099 /nfs/dbraw/zinc/60/00/99/501600099.db2.gz VRGQKBCEZFNVIG-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000459474507 501659726 /nfs/dbraw/zinc/65/97/26/501659726.db2.gz XZDIACDXKOFSTD-RLLQIKCJSA-N 0 3 363.417 3.471 20 30 FGEDHN C[C@H]1[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000454953399 501661113 /nfs/dbraw/zinc/66/11/13/501661113.db2.gz CMPWBOYRWZURID-MGPUTAFESA-N 0 3 366.440 3.160 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C1 ZINC000459486496 501662384 /nfs/dbraw/zinc/66/23/84/501662384.db2.gz UYFFURAMFBWPGS-ZACQAIPSSA-N 0 3 374.554 3.291 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000459597899 501684589 /nfs/dbraw/zinc/68/45/89/501684589.db2.gz YFAKXRKJOXXUPL-SUMWQHHRSA-N 0 3 369.494 3.355 20 30 FGEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588313380 506268682 /nfs/dbraw/zinc/26/86/82/506268682.db2.gz OKVBFJRGGZINJM-ZDUSSCGKSA-N 0 3 365.275 3.317 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)CC(C)(C)C)cc1 ZINC000455246454 501715519 /nfs/dbraw/zinc/71/55/19/501715519.db2.gz FBJXEQHHXORIIG-OLZOCXBDSA-N 0 3 351.472 3.319 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000460050243 501725619 /nfs/dbraw/zinc/72/56/19/501725619.db2.gz IJGJAKMYCJLWRZ-CZUORRHYSA-N 0 3 354.841 3.172 20 30 FGEDHN COC(=O)[C@H](C)[C@H](NCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000477635388 501744967 /nfs/dbraw/zinc/74/49/67/501744967.db2.gz LNRHVTUTGFUMDO-UZLBHIALSA-N 0 3 352.434 3.467 20 30 FGEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC)c(OC)c1 ZINC000485205464 501755270 /nfs/dbraw/zinc/75/52/70/501755270.db2.gz QTNJZKACICRPBC-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2coc(-c3cccs3)n2)cc1 ZINC000470727679 501784171 /nfs/dbraw/zinc/78/41/71/501784171.db2.gz PWFDDKSCALYENC-OAHLLOKOSA-N 0 3 362.414 3.273 20 30 FGEDHN CN1CCO[C@H]([C@H](NCCc2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000467435392 501793252 /nfs/dbraw/zinc/79/32/52/501793252.db2.gz YCNLYMITONNIOM-LEWJYISDSA-N 0 3 369.896 3.416 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460396546 501814058 /nfs/dbraw/zinc/81/40/58/501814058.db2.gz YZQZBUNFKMCTEH-HOTGVXAUSA-N 0 3 359.543 3.425 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc3ccccc3n2)cc1 ZINC000470866835 501833831 /nfs/dbraw/zinc/83/38/31/501833831.db2.gz PIIAUVGINLIHJV-LJQANCHMSA-N 0 3 354.413 3.148 20 30 FGEDHN C=CCSCCN[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481659519 501842181 /nfs/dbraw/zinc/84/21/81/501842181.db2.gz QEAVBYOPSWIKJN-AWEZNQCLSA-N 0 3 362.948 3.208 20 30 FGEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(CC)CC ZINC000470976743 501880004 /nfs/dbraw/zinc/88/00/04/501880004.db2.gz TUWVPLOPUBGRFM-IPMKNSEASA-N 0 3 353.466 3.341 20 30 FGEDHN CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474591820 501885541 /nfs/dbraw/zinc/88/55/41/501885541.db2.gz CTWDDDSCCGIEHF-GOSISDBHSA-N 0 3 352.413 3.436 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000471039687 501899842 /nfs/dbraw/zinc/89/98/42/501899842.db2.gz QPXMOAKEQHNTQO-ZUEQLIKTSA-N 0 3 359.429 3.310 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H](O)COc1ccc(F)cc1 ZINC000481922121 501920534 /nfs/dbraw/zinc/92/05/34/501920534.db2.gz MKWVBQBXPHTJIJ-GHTZIAJQSA-N 0 3 354.425 3.494 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000471125377 501928748 /nfs/dbraw/zinc/92/87/48/501928748.db2.gz RUBVERDKVOVLAQ-OAHLLOKOSA-N 0 3 368.780 3.119 20 30 FGEDHN Cc1ccc(C#N)nc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000596157027 506284697 /nfs/dbraw/zinc/28/46/97/506284697.db2.gz WWPQQTILOXHLJS-UHFFFAOYSA-N 0 3 354.429 3.356 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000478396342 501966471 /nfs/dbraw/zinc/96/64/71/501966471.db2.gz GNJFYTAQZFCBEL-KRWDZBQOSA-N 0 3 367.415 3.231 20 30 FGEDHN C=C[C@@H](CC(=O)N1CCN(c2ccncc2OC)CC1)c1ccccc1 ZINC000478481880 501996998 /nfs/dbraw/zinc/99/69/98/501996998.db2.gz QCURPTALTRLJBG-KRWDZBQOSA-N 0 3 351.450 3.099 20 30 FGEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000485947722 501997452 /nfs/dbraw/zinc/99/74/52/501997452.db2.gz UQGNETVIRMKATM-SFHVURJKSA-N 0 3 367.497 3.170 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3ccccn3)cc2)CC1 ZINC000461114231 502016693 /nfs/dbraw/zinc/01/66/93/502016693.db2.gz PERHQKFESQIEQC-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN C=C(C)COCCNC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000475072112 502044690 /nfs/dbraw/zinc/04/46/90/502044690.db2.gz ZJDZWDBXZVBMPA-UYAOXDASSA-N 0 3 359.514 3.446 20 30 FGEDHN CC[C@@H](C)n1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000478706813 502064426 /nfs/dbraw/zinc/06/44/26/502064426.db2.gz VZBFCXXZAZCZFH-MRXNPFEDSA-N 0 3 367.497 3.238 20 30 FGEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000461364311 502083599 /nfs/dbraw/zinc/08/35/99/502083599.db2.gz QCGDDSXGKFEVRX-HXUWFJFHSA-N 0 3 362.477 3.488 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000475193876 502094278 /nfs/dbraw/zinc/09/42/78/502094278.db2.gz DAWMDIODNDWRAC-UHFFFAOYSA-N 0 3 371.525 3.420 20 30 FGEDHN Cc1nc(CC2CC2)oc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000475341129 502142104 /nfs/dbraw/zinc/14/21/04/502142104.db2.gz DJUNNVDMKITAOZ-UHFFFAOYSA-N 0 3 366.465 3.011 20 30 FGEDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(Cl)cc1C#N ZINC000461947104 502247610 /nfs/dbraw/zinc/24/76/10/502247610.db2.gz IOVKLFLGZNXUJM-HKUYNNGSSA-N 0 3 370.884 3.210 20 30 FGEDHN C=CCNC(=O)CN[C@@H]1C[C@H](C)CCc2ccc(Br)cc21 ZINC000479421583 502253578 /nfs/dbraw/zinc/25/35/78/502253578.db2.gz NGFBGAOMRZLANS-MLGOLLRUSA-N 0 3 351.288 3.354 20 30 FGEDHN COc1cc(CN(C)CCCCO)ccc1OCc1cccc(C#N)c1 ZINC000472186958 502262559 /nfs/dbraw/zinc/26/25/59/502262559.db2.gz GXIQMUQIDWEIOM-UHFFFAOYSA-N 0 3 354.450 3.350 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469016678 502265257 /nfs/dbraw/zinc/26/52/57/502265257.db2.gz OYODOTVLBNRKDB-HNNXBMFYSA-N 0 3 366.465 3.454 20 30 FGEDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc(C#N)n(C)c1 ZINC000483297417 502343466 /nfs/dbraw/zinc/34/34/66/502343466.db2.gz OSPYWTGQJZKVDZ-UHFFFAOYSA-N 0 3 351.429 3.491 20 30 FGEDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000483422536 502386250 /nfs/dbraw/zinc/38/62/50/502386250.db2.gz RFLNYKFXAUQQSF-PZJWPPBQSA-N 0 3 354.425 3.101 20 30 FGEDHN N#CC(C(=O)c1cnnn1-c1c(Cl)cccc1Cl)c1ccccn1 ZINC000483453626 502397613 /nfs/dbraw/zinc/39/76/13/502397613.db2.gz UZJGEEZYVXIXDL-SNVBAGLBSA-N 0 3 358.188 3.459 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000462342017 502400732 /nfs/dbraw/zinc/40/07/32/502400732.db2.gz SPZFOAMUMZCPJY-QGZVFWFLSA-N 0 3 365.477 3.261 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@]2(C)c2ccccc2OC)CC1 ZINC000465858033 502404621 /nfs/dbraw/zinc/40/46/21/502404621.db2.gz IEHODNVLGHQUKC-FPOVZHCZSA-N 0 3 357.498 3.065 20 30 FGEDHN CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602814759 506311996 /nfs/dbraw/zinc/31/19/96/506311996.db2.gz HLKOYTABVAKLEK-HKUYNNGSSA-N 0 3 372.538 3.434 20 30 FGEDHN CCC(CC)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)N1CCOCC1 ZINC000469508383 502446405 /nfs/dbraw/zinc/44/64/05/502446405.db2.gz KSVUTQXIZDNOFZ-LEWJYISDSA-N 0 3 371.525 3.012 20 30 FGEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476363899 502469463 /nfs/dbraw/zinc/46/94/63/502469463.db2.gz IKGZVUFVWGUOEU-HXUWFJFHSA-N 0 3 365.477 3.370 20 30 FGEDHN CS[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000476665552 502555238 /nfs/dbraw/zinc/55/52/38/502555238.db2.gz UEKBXYKFWBFJPL-GBESFXJTSA-N 0 3 357.523 3.112 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487934327 502571530 /nfs/dbraw/zinc/57/15/30/502571530.db2.gz KNFVWOSXZVMWKN-LBPRGKRZSA-N 0 3 365.275 3.317 20 30 FGEDHN CC1CCN(CCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487995091 502594209 /nfs/dbraw/zinc/59/42/09/502594209.db2.gz RQJDKWWAONHKDN-UHFFFAOYSA-N 0 3 365.275 3.174 20 30 FGEDHN COCc1cccc(OCC2(CN3C[C@@H](C)N(CC#N)[C@H](C)C3)CCC2)c1 ZINC000602853780 506326956 /nfs/dbraw/zinc/32/69/56/506326956.db2.gz LSULTMDXDQXAOH-RTBURBONSA-N 0 3 371.525 3.300 20 30 FGEDHN C[C@H](c1nc(-c2ccnc(OCCN(C)C)c2)no1)c1cccc(C#N)c1 ZINC000463044127 502673645 /nfs/dbraw/zinc/67/36/45/502673645.db2.gz QUTNEVAWWFDSPZ-AWEZNQCLSA-N 0 3 363.421 3.095 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCc1cccc(C#N)c1 ZINC000466812996 502690889 /nfs/dbraw/zinc/69/08/89/502690889.db2.gz CKZMBUBGIVPECC-UHFFFAOYSA-N 0 3 364.493 3.394 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000470182359 502698509 /nfs/dbraw/zinc/69/85/09/502698509.db2.gz KIICBFGQCITZTI-UYAOXDASSA-N 0 3 355.482 3.095 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@H](C)N1CC#N ZINC000602858295 506329393 /nfs/dbraw/zinc/32/93/93/506329393.db2.gz AARGYKXBKWUYKV-CALCHBBNSA-N 0 3 350.466 3.087 20 30 FGEDHN C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000477290134 502731737 /nfs/dbraw/zinc/73/17/37/502731737.db2.gz HCOUFEFPJSTNJM-OAHLLOKOSA-N 0 3 352.400 3.438 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463432501 502799458 /nfs/dbraw/zinc/79/94/58/502799458.db2.gz UPALKTHZHMCGAO-QFIPXVFZSA-N 0 3 350.462 3.384 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)ccc1C#N ZINC000470512543 502800516 /nfs/dbraw/zinc/80/05/16/502800516.db2.gz VEBSOQCTRCCQKP-UHFFFAOYSA-N 0 3 373.382 3.412 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)C(C)C ZINC000513020651 502832301 /nfs/dbraw/zinc/83/23/01/502832301.db2.gz SDOSHFSFCOHDCF-HXUWFJFHSA-N 0 3 369.509 3.242 20 30 FGEDHN C=CCn1cccc1C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000488898265 502834220 /nfs/dbraw/zinc/83/42/20/502834220.db2.gz JKGXSZZUOSKNRU-LJQANCHMSA-N 0 3 352.482 3.196 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000505042124 502844106 /nfs/dbraw/zinc/84/41/06/502844106.db2.gz QKFBMWRLFQHQLR-OAQYLSRUSA-N 0 3 365.477 3.192 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)OCCCO2)C(C)C ZINC000495964771 502867978 /nfs/dbraw/zinc/86/79/78/502867978.db2.gz FWUMLMHWIDUQEY-SFHVURJKSA-N 0 3 358.482 3.276 20 30 FGEDHN Cc1csc(CC2(O)CCN(CCCOc3cccc(C#N)c3)CC2)n1 ZINC000602892229 506339323 /nfs/dbraw/zinc/33/93/23/506339323.db2.gz HRSDQGLNXAVXJJ-UHFFFAOYSA-N 0 3 371.506 3.162 20 30 FGEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCC[C@H](C)C1 ZINC000489116708 502882652 /nfs/dbraw/zinc/88/26/52/502882652.db2.gz NVCYHMOKNMQUNC-KRWDZBQOSA-N 0 3 350.528 3.304 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)CCc1ccc(C#N)cc1 ZINC000496406261 502887787 /nfs/dbraw/zinc/88/77/87/502887787.db2.gz FEITWMXWBDRZBN-UHFFFAOYSA-N 0 3 353.441 3.220 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000496709017 502900446 /nfs/dbraw/zinc/90/04/46/502900446.db2.gz UOFWJMOGIGYZTR-UHFFFAOYSA-N 0 3 367.493 3.049 20 30 FGEDHN C=CCc1ccc(OCC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c(OC)c1 ZINC000501459257 503013111 /nfs/dbraw/zinc/01/31/11/503013111.db2.gz SPLHKNSYJYPPAP-IAGOWNOFSA-N 0 3 360.498 3.039 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](N)CC(F)F ZINC000498208533 503131222 /nfs/dbraw/zinc/13/12/22/503131222.db2.gz RYVJIAJHGVPBNG-GFCCVEGCSA-N 0 3 365.193 3.085 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ncc(C#N)cc1Cl)N(C)C ZINC000510545292 503139774 /nfs/dbraw/zinc/13/97/74/503139774.db2.gz KLXIXLZTUJYYCT-UGSOOPFHSA-N 0 3 356.857 3.336 20 30 FGEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(OC)c(OC)c1 ZINC000506638270 503146829 /nfs/dbraw/zinc/14/68/29/503146829.db2.gz BWDXABOOEUMIPT-WBVHZDCISA-N 0 3 373.497 3.476 20 30 FGEDHN N#Cc1ccc(C2=CCN(C[C@H](O)COCc3ccccc3F)CC2)cc1 ZINC000502549445 503223174 /nfs/dbraw/zinc/22/31/74/503223174.db2.gz YMBGQWQWKRIRMM-NRFANRHFSA-N 0 3 366.436 3.364 20 30 FGEDHN CCC1(N2CCOCC2)CCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000599183384 506363635 /nfs/dbraw/zinc/36/36/35/506363635.db2.gz LQSHUKUCBFLHFW-UHFFFAOYSA-N 0 3 364.493 3.496 20 30 FGEDHN CNc1ccc(C#N)cc1NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000511387587 503312387 /nfs/dbraw/zinc/31/23/87/503312387.db2.gz ZZBPWNGMMPDGIY-CHWSQXEVSA-N 0 3 368.403 3.447 20 30 FGEDHN COC(=O)c1ccc(NC2CCN([C@H](C)c3ccccc3)CC2)c(C#N)n1 ZINC000515311646 503312572 /nfs/dbraw/zinc/31/25/72/503312572.db2.gz QZZUCJJCCVCFHI-OAHLLOKOSA-N 0 3 364.449 3.377 20 30 FGEDHN Cc1cc(C(=O)NCc2cccc(CN(C)C)c2)nn1-c1cccc(C#N)c1 ZINC000502966223 503315876 /nfs/dbraw/zinc/31/58/76/503315876.db2.gz GXKNAGVUGBNIGC-UHFFFAOYSA-N 0 3 373.460 3.044 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cccc(F)c1F ZINC000499043560 503319563 /nfs/dbraw/zinc/31/95/63/503319563.db2.gz LPHMDVGDPMCZEB-UHFFFAOYSA-N 0 3 371.431 3.359 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000511481233 503329317 /nfs/dbraw/zinc/32/93/17/503329317.db2.gz ZHKMXRCMCBONNJ-NRFANRHFSA-N 0 3 365.452 3.141 20 30 FGEDHN CN(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000491850633 503333225 /nfs/dbraw/zinc/33/32/25/503333225.db2.gz BHTMIRPLZBKIKM-LJQANCHMSA-N 0 3 353.491 3.211 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2cnn(CC)c2nc1C)C(C)C ZINC000507648432 503338475 /nfs/dbraw/zinc/33/84/75/503338475.db2.gz BLWRQSAVNPRNDI-LJQANCHMSA-N 0 3 369.513 3.188 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ncc4c(c3C#N)CCC4)CC2)C[C@@H](C)O1 ZINC000515834150 503409512 /nfs/dbraw/zinc/40/95/12/503409512.db2.gz UIQXRWBIPMPNKK-IAGOWNOFSA-N 0 3 368.525 3.158 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503515850 503425715 /nfs/dbraw/zinc/42/57/15/503425715.db2.gz IIFFFMFJXVGBJY-GZMOKQHVSA-N 0 3 357.498 3.157 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H]2CSC[C@H]2C)c1C#N ZINC000512182406 503479295 /nfs/dbraw/zinc/47/92/95/503479295.db2.gz RWMIEEHGILIIEP-ACJLOTCBSA-N 0 3 368.506 3.245 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000504088256 503520457 /nfs/dbraw/zinc/52/04/57/503520457.db2.gz ZIFVXRDQFDHELF-IBGZPJMESA-N 0 3 369.509 3.221 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000504127206 503527181 /nfs/dbraw/zinc/52/71/81/503527181.db2.gz ZEGYIEHQYRYZQU-LFGUQSLTSA-N 0 3 359.514 3.267 20 30 FGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000512409790 503541246 /nfs/dbraw/zinc/54/12/46/503541246.db2.gz OZUHUEWVJQOTGN-FPOVZHCZSA-N 0 3 370.541 3.056 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000533080236 503723839 /nfs/dbraw/zinc/72/38/39/503723839.db2.gz GJEYAHACNBOJGK-QYZOEREBSA-N 0 3 355.482 3.070 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000540322471 503736314 /nfs/dbraw/zinc/73/63/14/503736314.db2.gz PJAKWWGYYNGKED-VBHSOAQHSA-N 0 3 353.413 3.382 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517642389 503794542 /nfs/dbraw/zinc/79/45/42/503794542.db2.gz OPDFSIABOAXGNN-ABSDTBQOSA-N 0 3 363.461 3.277 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517642395 503794924 /nfs/dbraw/zinc/79/49/24/503794924.db2.gz OPDFSIABOAXGNN-ZWOKBUDYSA-N 0 3 363.461 3.277 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CNC1(c2ccccc2)CCOCC1 ZINC000533381705 503823703 /nfs/dbraw/zinc/82/37/03/503823703.db2.gz XFTIDKPBKHSOHP-NRFANRHFSA-N 0 3 367.489 3.450 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000533440401 503846327 /nfs/dbraw/zinc/84/63/27/503846327.db2.gz SDJSKIRMWNHOGB-WBVHZDCISA-N 0 3 372.538 3.188 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NCCCN(C)Cc1ccccc1 ZINC000546707987 503846417 /nfs/dbraw/zinc/84/64/17/503846417.db2.gz QMFGOZFUIISPAA-UHFFFAOYSA-N 0 3 352.438 3.210 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000533440399 503846538 /nfs/dbraw/zinc/84/65/38/503846538.db2.gz SDJSKIRMWNHOGB-NVXWUHKLSA-N 0 3 372.538 3.188 20 30 FGEDHN C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000540707029 503862946 /nfs/dbraw/zinc/86/29/46/503862946.db2.gz MFFPYMFKROUISO-IERDGZPVSA-N 0 3 353.441 3.421 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000533545933 503883752 /nfs/dbraw/zinc/88/37/52/503883752.db2.gz LSLAZABCMWVECC-SLFFLAALSA-N 0 3 369.509 3.297 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC23CC(C2)CO3)cc1OC ZINC000527789642 503944370 /nfs/dbraw/zinc/94/43/70/503944370.db2.gz MWJULCQWJWYDRR-UHFFFAOYSA-N 0 3 368.271 3.291 20 30 FGEDHN C=CCc1cc(CNC[C@H]2c3ccccc3C(=O)N2C)cc(OC)c1O ZINC000527805581 503952113 /nfs/dbraw/zinc/95/21/13/503952113.db2.gz JTOGVCCTBRZPFN-SFHVURJKSA-N 0 3 352.434 3.046 20 30 FGEDHN CNC(=O)c1cccc(CCN[C@H](CCC#N)c2ccc(OC)cc2)c1 ZINC000547010028 503954758 /nfs/dbraw/zinc/95/47/58/503954758.db2.gz FLROUGSOXXASHG-HXUWFJFHSA-N 0 3 351.450 3.232 20 30 FGEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000518365423 503964081 /nfs/dbraw/zinc/96/40/81/503964081.db2.gz KDUWDUKUTKKXRW-UHFFFAOYSA-N 0 3 360.454 3.038 20 30 FGEDHN C[C@@H](O)CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000537613020 503973464 /nfs/dbraw/zinc/97/34/64/503973464.db2.gz ZIGAKGOLDIURGE-QGZVFWFLSA-N 0 3 360.461 3.342 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NCCNc1ccc(-c3ccccc3)nn1)CC2 ZINC000518446375 503987078 /nfs/dbraw/zinc/98/70/78/503987078.db2.gz DGCKIRNXGDWXAX-OAQYLSRUSA-N 0 3 355.445 3.126 20 30 FGEDHN N#CCc1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000544072073 503997017 /nfs/dbraw/zinc/99/70/17/503997017.db2.gz RDIXPIQKGMSTKA-UHFFFAOYSA-N 0 3 365.452 3.420 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(c2cccc(F)c2)CCCCC1 ZINC000518732361 504050441 /nfs/dbraw/zinc/05/04/41/504050441.db2.gz JUZIKWVAJRPLIU-HNNXBMFYSA-N 0 3 361.461 3.018 20 30 FGEDHN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN(C2CCCC2)CC1 ZINC000518769213 504059294 /nfs/dbraw/zinc/05/92/94/504059294.db2.gz HCDRXVVXOISUQU-UHFFFAOYSA-N 0 3 357.424 3.024 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000519004397 504117316 /nfs/dbraw/zinc/11/73/16/504117316.db2.gz UGRVBDHRNGZFGQ-SFHVURJKSA-N 0 3 369.513 3.297 20 30 FGEDHN COc1ccccc1C[C@H](NCC(=O)NCc1ccc(C#N)cc1)C(C)C ZINC000541637190 504207902 /nfs/dbraw/zinc/20/79/02/504207902.db2.gz OKKSIBPMESVESZ-FQEVSTJZSA-N 0 3 365.477 3.040 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1=CCN(C)CC1 ZINC000538344237 504214991 /nfs/dbraw/zinc/21/49/91/504214991.db2.gz DPRPSLIJOFOIRM-UHFFFAOYSA-N 0 3 354.372 3.262 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CNCc2cccc3cc[nH]c32)c(OC)c1 ZINC000519595415 504267438 /nfs/dbraw/zinc/26/74/38/504267438.db2.gz NVKMCXUJIRQICU-LJQANCHMSA-N 0 3 366.461 3.435 20 30 FGEDHN N#Cc1ccc(CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cn1 ZINC000528745321 504361610 /nfs/dbraw/zinc/36/16/10/504361610.db2.gz SSJGYUFPTDREEB-QHCPKHFHSA-N 0 3 374.488 3.010 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)CC1 ZINC000542264511 504429864 /nfs/dbraw/zinc/42/98/64/504429864.db2.gz YQRVNMGOWYUSKX-OXJNMPFZSA-N 0 3 357.498 3.438 20 30 FGEDHN CC(C)c1csc(C(C#N)=C([O-])c2ccc(Cn3ccnn3)cc2)n1 ZINC000528966680 504473380 /nfs/dbraw/zinc/47/33/80/504473380.db2.gz MOGYAJJBWHJQKR-OAHLLOKOSA-N 0 3 351.435 3.396 20 30 FGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(Cn3ccnn3)cc2)n1 ZINC000528966680 504473383 /nfs/dbraw/zinc/47/33/83/504473383.db2.gz MOGYAJJBWHJQKR-OAHLLOKOSA-N 0 3 351.435 3.396 20 30 FGEDHN C=CC[C@H](CO)CNCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000539226854 504503566 /nfs/dbraw/zinc/50/35/66/504503566.db2.gz PVDOHEOXWLATQD-KRWDZBQOSA-N 0 3 354.450 3.222 20 30 FGEDHN N#CCNC(=O)CN[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000542530049 504528290 /nfs/dbraw/zinc/52/82/90/504528290.db2.gz CWVKBKWJRRFBDL-HOCLYGCPSA-N 0 3 353.388 3.351 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCCOC1 ZINC000542577797 504545419 /nfs/dbraw/zinc/54/54/19/504545419.db2.gz NXECWTCIHLSFTA-OAGGEKHMSA-N 0 3 361.511 3.424 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000539377071 504546826 /nfs/dbraw/zinc/54/68/26/504546826.db2.gz IHSNGJFIIRUKTA-WWMYMODYSA-N 0 3 356.514 3.380 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000520686090 504556030 /nfs/dbraw/zinc/55/60/30/504556030.db2.gz NYCMBXOOQBFCDA-UHFFFAOYSA-N 0 3 365.433 3.110 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)OCC ZINC000535910063 504580349 /nfs/dbraw/zinc/58/03/49/504580349.db2.gz KSCSJCMNPJSSMO-PMACEKPBSA-N 0 3 360.498 3.320 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000546005189 504671564 /nfs/dbraw/zinc/67/15/64/504671564.db2.gz FQJABZNDQZECDE-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN COCCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000529637255 504749592 /nfs/dbraw/zinc/74/95/92/504749592.db2.gz ADBXNDPAUFSSHT-UHFFFAOYSA-N 0 3 353.470 3.107 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC000521603259 504762770 /nfs/dbraw/zinc/76/27/70/504762770.db2.gz BIHUIAQVIJMDSE-UHFFFAOYSA-N 0 3 359.489 3.440 20 30 FGEDHN Cc1c2cc(F)ccc2oc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000552836440 504773022 /nfs/dbraw/zinc/77/30/22/504773022.db2.gz BVUMSUZBGHOZKF-QGZVFWFLSA-N 0 3 368.408 3.476 20 30 FGEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000549299438 504785890 /nfs/dbraw/zinc/78/58/90/504785890.db2.gz QJRJAGKFDFHSOS-UHFFFAOYSA-N 0 3 354.502 3.304 20 30 FGEDHN CCN1CCN([C@H](C)CNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000562353401 504792856 /nfs/dbraw/zinc/79/28/56/504792856.db2.gz ZXERIXREJOYIIY-MRXNPFEDSA-N 0 3 355.530 3.005 20 30 FGEDHN Cc1cc(CN(CCOCCC#N)CC(C)C)nc(N2CCCCC2)n1 ZINC000549532302 504843908 /nfs/dbraw/zinc/84/39/08/504843908.db2.gz QIZRKKOYQQIGEK-UHFFFAOYSA-N 0 3 359.518 3.164 20 30 FGEDHN Cc1cccc(-c2n[nH]cc2CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000565307086 504850058 /nfs/dbraw/zinc/85/00/58/504850058.db2.gz IEWNBKJJLKWSQO-LJQANCHMSA-N 0 3 359.433 3.305 20 30 FGEDHN CN(CCCN(C)C(=O)[C@@H](C#N)CCc1ccccc1)Cc1ccco1 ZINC000553405045 504905951 /nfs/dbraw/zinc/90/59/51/504905951.db2.gz YYBXEYWTHMWGGN-LJQANCHMSA-N 0 3 353.466 3.332 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)CN1CC[C@@H](C)C1 ZINC000553419554 504910237 /nfs/dbraw/zinc/91/02/37/504910237.db2.gz YZHNWLMFUHMATO-CYBMUJFWSA-N 0 3 369.278 3.445 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000565651842 504949838 /nfs/dbraw/zinc/94/98/38/504949838.db2.gz OGIKTFVVHKJGLO-BCHFMIIMSA-N 0 3 369.490 3.095 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000565685774 504957783 /nfs/dbraw/zinc/95/77/83/504957783.db2.gz AWAXZBCCPDWJPF-IPELMVKDSA-N 0 3 361.917 3.264 20 30 FGEDHN CN(C)CCN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1F ZINC000562903590 504981625 /nfs/dbraw/zinc/98/16/25/504981625.db2.gz CQCPCJUIRRVGHI-UHFFFAOYSA-N 0 3 369.419 3.048 20 30 FGEDHN C=CCOc1c(Br)cc(CNCCC2(O)CCC2)cc1OC ZINC000560075725 504985690 /nfs/dbraw/zinc/98/56/90/504985690.db2.gz GSZMWWADNHMMBS-UHFFFAOYSA-N 0 3 370.287 3.417 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000562931832 504991807 /nfs/dbraw/zinc/99/18/07/504991807.db2.gz URFNQVJSMPTTAP-SFHVURJKSA-N 0 3 354.479 3.256 20 30 FGEDHN CC(C)(C#N)CCN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000553895138 505036075 /nfs/dbraw/zinc/03/60/75/505036075.db2.gz MBLSZNHTLZKUET-UHFFFAOYSA-N 0 3 351.450 3.245 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(C#N)ccc2Cl)c1 ZINC000557012022 505043600 /nfs/dbraw/zinc/04/36/00/505043600.db2.gz JBEIZIMFIOXQFK-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000560431122 505082557 /nfs/dbraw/zinc/08/25/57/505082557.db2.gz OKOCAWLPNSECPC-FQEVSTJZSA-N 0 3 363.436 3.120 20 30 FGEDHN N#Cc1cscc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000557225002 505095476 /nfs/dbraw/zinc/09/54/76/505095476.db2.gz GOMKOFYOOWTSEE-WMZOPIPTSA-N 0 3 351.475 3.214 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000554142370 505104324 /nfs/dbraw/zinc/10/43/24/505104324.db2.gz PJYYZHXEWPYLRV-GOSISDBHSA-N 0 3 368.399 3.438 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000566219982 505115690 /nfs/dbraw/zinc/11/56/90/505115690.db2.gz HFKZLGGCUUTRFF-HNNXBMFYSA-N 0 3 365.433 3.046 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)CC2 ZINC000557535315 505160527 /nfs/dbraw/zinc/16/05/27/505160527.db2.gz BPTWJLQZAKOFJC-YADHBBJMSA-N 0 3 359.473 3.369 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2C[NH+]2CCCCCC2)o1 ZINC000566611773 505222535 /nfs/dbraw/zinc/22/25/35/505222535.db2.gz DRIPMSYMARGMID-UHFFFAOYSA-N 0 3 373.478 3.006 20 30 FGEDHN COC(=O)C[C@](C)(NCCOc1ccccc1C#N)c1cccc(OC)c1 ZINC000563770819 505233277 /nfs/dbraw/zinc/23/32/77/505233277.db2.gz RPUWVYGBZXVKBM-NRFANRHFSA-N 0 3 368.433 3.014 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000551543455 505249618 /nfs/dbraw/zinc/24/96/18/505249618.db2.gz XLPDYWXZCDEDIY-GOSISDBHSA-N 0 3 357.841 3.253 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)s1 ZINC000563850923 505257172 /nfs/dbraw/zinc/25/71/72/505257172.db2.gz IWLYMFUCBHSOEN-QGZVFWFLSA-N 0 3 368.506 3.474 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)N1CCCC1 ZINC000557936440 505267293 /nfs/dbraw/zinc/26/72/93/505267293.db2.gz IMFCIIXWKYXCJO-KRWDZBQOSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3nccc(C#N)c3Cl)CC2)C[C@H](C)O1 ZINC000561235263 505288522 /nfs/dbraw/zinc/28/85/22/505288522.db2.gz AOLXHMCGHIFNPP-GASCZTMLSA-N 0 3 362.905 3.322 20 30 FGEDHN COc1ccc2c(c1)CCC[C@H]2N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000558061260 505299335 /nfs/dbraw/zinc/29/93/35/505299335.db2.gz FPQHBJNKONRZEN-XMSQKQJNSA-N 0 3 366.461 3.316 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@]12CCCO2 ZINC000554977724 505318094 /nfs/dbraw/zinc/31/80/94/505318094.db2.gz YWJVVSXJJLHEII-BBWFWOEESA-N 0 3 354.372 3.393 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCC(C)(C)C)cc1 ZINC000558413463 505381947 /nfs/dbraw/zinc/38/19/47/505381947.db2.gz ZLNFELDLSKIXJJ-ZDUSSCGKSA-N 0 3 351.472 3.320 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000555241158 505388639 /nfs/dbraw/zinc/38/86/39/505388639.db2.gz UJRMSKPVSCUDSO-GOSISDBHSA-N 0 3 366.513 3.289 20 30 FGEDHN C=CCn1c(COCC)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000564383424 505401119 /nfs/dbraw/zinc/40/11/19/505401119.db2.gz SBOVQKSBQCNJRI-ROUUACIJSA-N 0 3 369.513 3.100 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000564384053 505402243 /nfs/dbraw/zinc/40/22/43/505402243.db2.gz GSGKFDLPBXFYNG-JKSUJKDBSA-N 0 3 357.477 3.113 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567431578 505460289 /nfs/dbraw/zinc/46/02/89/505460289.db2.gz RDXHUFQOICJSNJ-ZOCIIQOWSA-N 0 3 365.468 3.113 20 30 FGEDHN C[C@H](C#N)CN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000552365589 505473305 /nfs/dbraw/zinc/47/33/05/505473305.db2.gz JWCGXDTVMLSBMO-CRAIPNDOSA-N 0 3 361.436 3.294 20 30 FGEDHN Cn1cc(CNCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000552390890 505480213 /nfs/dbraw/zinc/48/02/13/505480213.db2.gz NKMSRAHINXELFZ-UHFFFAOYSA-N 0 3 351.237 3.322 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567523861 505487940 /nfs/dbraw/zinc/48/79/40/505487940.db2.gz SGFYGICKRICJOV-HKUYNNGSSA-N 0 3 367.896 3.239 20 30 FGEDHN C=CCn1c(CCCc2cccs2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000562033208 505496285 /nfs/dbraw/zinc/49/62/85/505496285.db2.gz RKXMJCXNDWGREO-KRWDZBQOSA-N 0 3 371.554 3.374 20 30 FGEDHN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(CC#N)cc2)c(OC)c1 ZINC000567612283 505513699 /nfs/dbraw/zinc/51/36/99/505513699.db2.gz HRCAKWUBEMGCCM-OAHLLOKOSA-N 0 3 367.449 3.277 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1ncc(C#N)cc1C)c1cccc(OC)c1 ZINC000558932114 505532871 /nfs/dbraw/zinc/53/28/71/505532871.db2.gz RNQQSGYAVQSOLB-LJQANCHMSA-N 0 3 366.465 3.083 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558951553 505536826 /nfs/dbraw/zinc/53/68/26/505536826.db2.gz UUVKYSVDSRBNJR-NXHRZFHOSA-N 0 3 365.905 3.223 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000564849089 505538831 /nfs/dbraw/zinc/53/88/31/505538831.db2.gz JBWJZDCWDNCVQZ-BVSLBCMMSA-N 0 3 366.461 3.116 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccc2ncsc2c1 ZINC000564875941 505546707 /nfs/dbraw/zinc/54/67/07/505546707.db2.gz ZJJPRPWCYAIDOI-RHSMWYFYSA-N 0 3 367.474 3.453 20 30 FGEDHN CN1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000552804360 505557766 /nfs/dbraw/zinc/55/77/66/505557766.db2.gz CSQMCWCEYXKRCU-FCHUYYIVSA-N 0 3 361.489 3.144 20 30 FGEDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(CC#N)cc1 ZINC000564962671 505563765 /nfs/dbraw/zinc/56/37/65/505563765.db2.gz DVCUDCDGWJAZPV-AWEZNQCLSA-N 0 3 352.394 3.168 20 30 FGEDHN N#Cc1cc(NCC2CCN(Cc3ccncc3)CC2)nc2ccccc12 ZINC000596441808 506405960 /nfs/dbraw/zinc/40/59/60/506405960.db2.gz QZOWLXYCDUOSNS-UHFFFAOYSA-N 0 3 357.461 3.247 20 30 FGEDHN CCOc1ccc(C2=CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000599341347 506419027 /nfs/dbraw/zinc/41/90/27/506419027.db2.gz IVIYHKLIVFEODN-FQEVSTJZSA-N 0 3 370.493 3.246 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCOCC1 ZINC000599350730 506422881 /nfs/dbraw/zinc/42/28/81/506422881.db2.gz YYGCSTASHPRIFJ-HOTGVXAUSA-N 0 3 374.378 3.480 20 30 FGEDHN C=C(C)[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599367166 506429602 /nfs/dbraw/zinc/42/96/02/506429602.db2.gz BQBDMJHCNJXHMK-CRAIPNDOSA-N 0 3 350.409 3.243 20 30 FGEDHN COc1ccc(CN(C)C[C@H](O)COc2ccccc2C#N)cc1Cl ZINC000599437206 506456199 /nfs/dbraw/zinc/45/61/99/506456199.db2.gz PLZXWROESIXKJH-INIZCTEOSA-N 0 3 360.841 3.092 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCc1ccc(C#N)cc1)N(C)C ZINC000596599761 506483342 /nfs/dbraw/zinc/48/33/42/506483342.db2.gz YMZKHXJCLWUVMB-UTKZUKDTSA-N 0 3 364.493 3.400 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 ZINC000582922170 506490369 /nfs/dbraw/zinc/49/03/69/506490369.db2.gz NFJTXFINUIZKRS-TZIWHRDSSA-N 0 3 365.477 3.187 20 30 FGEDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cn2)C[C@H](C)O1 ZINC000589336537 506521611 /nfs/dbraw/zinc/52/16/11/506521611.db2.gz OUIGEIKSWJFPBV-VWKPWSFCSA-N 0 3 362.477 3.344 20 30 FGEDHN N#CC1(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCCC1 ZINC000593331796 506547733 /nfs/dbraw/zinc/54/77/33/506547733.db2.gz BWUBZAWBQHTVJV-MRXNPFEDSA-N 0 3 360.527 3.343 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000612372691 506549755 /nfs/dbraw/zinc/54/97/55/506549755.db2.gz YMQHANGKKUHONA-SFHVURJKSA-N 0 3 364.559 3.073 20 30 FGEDHN Cc1cc2ncn(C[C@H](O)CN3CCc4c(CC#N)cccc4C3)c2cc1C ZINC000599679448 506574401 /nfs/dbraw/zinc/57/44/01/506574401.db2.gz SIPIBDYQJKIGLS-HXUWFJFHSA-N 0 3 374.488 3.138 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000612443092 506582080 /nfs/dbraw/zinc/58/20/80/506582080.db2.gz ATILVEHMFHSELK-HXUWFJFHSA-N 0 3 350.462 3.395 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)CN1Cc1ccccc1 ZINC000593374839 506583070 /nfs/dbraw/zinc/58/30/70/506583070.db2.gz LTPJFBUNKAEYSK-JXFKEZNVSA-N 0 3 360.461 3.246 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000603780947 506618115 /nfs/dbraw/zinc/61/81/15/506618115.db2.gz BOSDSXGQACUXBO-UHFFFAOYSA-N 0 3 353.491 3.169 20 30 FGEDHN COc1cc(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c(F)cc1C#N ZINC000599813136 506650295 /nfs/dbraw/zinc/65/02/95/506650295.db2.gz ZIAYHOWAXRKFSD-KRWDZBQOSA-N 0 3 374.391 3.269 20 30 FGEDHN CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCN(CC)C1 ZINC000596896005 506661584 /nfs/dbraw/zinc/66/15/84/506661584.db2.gz YZFIEPYWJUFWTD-AWEZNQCLSA-N 0 3 370.375 3.405 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000589981591 506695600 /nfs/dbraw/zinc/69/56/00/506695600.db2.gz HEELKIRQGFMZPV-UHFFFAOYSA-N 0 3 362.458 3.439 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3ccnn3-c3ccccc3)CC2)c1 ZINC000593692298 506733762 /nfs/dbraw/zinc/73/37/62/506733762.db2.gz ACUBQQMWVVEPJR-UHFFFAOYSA-N 0 3 371.488 3.498 20 30 FGEDHN COc1cccc(OC)c1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692794 506734134 /nfs/dbraw/zinc/73/41/34/506734134.db2.gz KGCUJUHVIIYELM-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](c3ccccc3)C2)cc1 ZINC000590118868 506740380 /nfs/dbraw/zinc/74/03/80/506740380.db2.gz SKUJEQLGPCIUQI-SFTDATJTSA-N 0 3 350.462 3.372 20 30 FGEDHN CO[C@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000583376378 506747304 /nfs/dbraw/zinc/74/73/04/506747304.db2.gz LDOHANPXPQQJEJ-UYAOXDASSA-N 0 3 374.868 3.123 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000609157697 506797710 /nfs/dbraw/zinc/79/77/10/506797710.db2.gz PSGGGQRRUCWVQX-PKTZIBPZSA-N 0 3 361.489 3.256 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)CC1 ZINC000597169842 506810650 /nfs/dbraw/zinc/81/06/50/506810650.db2.gz ZCSGNFMJTQIGQO-UHFFFAOYSA-N 0 3 364.530 3.147 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CC[C@@H](Cn4ccnn4)C3)c2)c1 ZINC000597176896 506814937 /nfs/dbraw/zinc/81/49/37/506814937.db2.gz XTGQSBOUZJLYPU-OAQYLSRUSA-N 0 3 373.460 3.251 20 30 FGEDHN N#Cc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000609228375 506819895 /nfs/dbraw/zinc/81/98/95/506819895.db2.gz BDJFKQKOWWBQPP-UHFFFAOYSA-N 0 3 351.425 3.226 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(CC(=O)NC3CCCC3)CC2)cc1 ZINC000604416001 506825284 /nfs/dbraw/zinc/82/52/84/506825284.db2.gz RWAHDHWRXJUTQO-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597196823 506828879 /nfs/dbraw/zinc/82/88/79/506828879.db2.gz BZDQGWFHOVGREN-XMSQKQJNSA-N 0 3 368.477 3.032 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000604445175 506834023 /nfs/dbraw/zinc/83/40/23/506834023.db2.gz BLHTXLSRIDNESE-UHFFFAOYSA-N 0 3 362.477 3.059 20 30 FGEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000609371374 506869206 /nfs/dbraw/zinc/86/92/06/506869206.db2.gz WKIPDBYSFBSNEP-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN N#C[C@@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC12CCCC2 ZINC000590626088 506887396 /nfs/dbraw/zinc/88/73/96/506887396.db2.gz LBUAADTWARRRTK-DENIHFKCSA-N 0 3 351.494 3.489 20 30 FGEDHN C[C@H](CC#N)C(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000597319295 506894824 /nfs/dbraw/zinc/89/48/24/506894824.db2.gz GSEIAOHYILBREA-WBVHZDCISA-N 0 3 367.415 3.449 20 30 FGEDHN C[C@@H](CC#N)C(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000597319294 506895007 /nfs/dbraw/zinc/89/50/07/506895007.db2.gz GSEIAOHYILBREA-RDJZCZTQSA-N 0 3 367.415 3.449 20 30 FGEDHN COc1cccc(COC[C@H](O)CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594032422 506896254 /nfs/dbraw/zinc/89/62/54/506896254.db2.gz HLJVKRYYGQHEFP-HXUWFJFHSA-N 0 3 366.461 3.113 20 30 FGEDHN CC[C@@H](C#N)N(C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000594093725 506935770 /nfs/dbraw/zinc/93/57/70/506935770.db2.gz FALWRQGHRRPGLQ-RDJZCZTQSA-N 0 3 353.388 3.202 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C[C@H]1C ZINC000597427657 506949590 /nfs/dbraw/zinc/94/95/90/506949590.db2.gz WXVKHZCCYIRDCG-HZPDHXFCSA-N 0 3 364.497 3.146 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609877940 507035362 /nfs/dbraw/zinc/03/53/62/507035362.db2.gz QPCZHTRXJPAULT-QGZVFWFLSA-N 0 3 367.449 3.334 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)CC2 ZINC000583901401 507039635 /nfs/dbraw/zinc/03/96/35/507039635.db2.gz BRHYJUFALQVUCB-YADHBBJMSA-N 0 3 365.452 3.348 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2c(Cl)cccc2Cl)s1 ZINC000583930091 507055812 /nfs/dbraw/zinc/05/58/12/507055812.db2.gz PURBSQUHKBFPCX-SNVBAGLBSA-N 0 3 357.262 3.456 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594281007 507060190 /nfs/dbraw/zinc/06/01/90/507060190.db2.gz AIKQVVXDMPBNLQ-VQTJNVASSA-N 0 3 352.482 3.273 20 30 FGEDHN COc1ccccc1S(=O)(=O)CCCN[C@@H](C)c1cccc(C#N)c1 ZINC000613383397 507062190 /nfs/dbraw/zinc/06/21/90/507062190.db2.gz LDQNSALHCQBNOU-HNNXBMFYSA-N 0 3 358.463 3.081 20 30 FGEDHN CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H]1CN2CCC1CC2 ZINC000609989243 507062453 /nfs/dbraw/zinc/06/24/53/507062453.db2.gz MLBPYQYXUBGULQ-NRFANRHFSA-N 0 3 360.461 3.468 20 30 FGEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c(Cl)cc(C#N)cc1Cl)C2 ZINC000597710526 507069894 /nfs/dbraw/zinc/06/98/94/507069894.db2.gz OLWUBDDDEVZIIF-QGZVFWFLSA-N 0 3 352.265 3.423 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000600734913 507090353 /nfs/dbraw/zinc/09/03/53/507090353.db2.gz GZERBTCTBMZZPD-QMTHXVAHSA-N 0 3 353.235 3.220 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000600715648 507078436 /nfs/dbraw/zinc/07/84/36/507078436.db2.gz AQXQOXDTTZQOTK-GOEBONIOSA-N 0 3 350.459 3.024 20 30 FGEDHN CC(C)CCOc1ccccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600724426 507083982 /nfs/dbraw/zinc/08/39/82/507083982.db2.gz TTWGLTXMJJGAMK-IBGZPJMESA-N 0 3 360.498 3.272 20 30 FGEDHN CC[C@@H](CNC[C@H](O)COc1ccccc1C#N)Oc1ccccc1C ZINC000600725761 507085766 /nfs/dbraw/zinc/08/57/66/507085766.db2.gz DIIFGHPVGMBQAK-OALUTQOASA-N 0 3 354.450 3.054 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCCOc3c(Cl)cccc32)CCOCC1 ZINC000600731529 507088355 /nfs/dbraw/zinc/08/83/55/507088355.db2.gz MJGZGXJGVGVWNW-PBHICJAKSA-N 0 3 364.873 3.215 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCCOc3c(Cl)cccc32)CCOCC1 ZINC000600731540 507088741 /nfs/dbraw/zinc/08/87/41/507088741.db2.gz MJGZGXJGVGVWNW-YOEHRIQHSA-N 0 3 364.873 3.215 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000594425942 507127238 /nfs/dbraw/zinc/12/72/38/507127238.db2.gz BQCYRUJFCKMUMC-HNNXBMFYSA-N 0 3 356.451 3.350 20 30 FGEDHN COc1ccc(F)cc1-c1csc(NC(=O)[C@H](N)CCCCC#N)n1 ZINC000594426042 507127440 /nfs/dbraw/zinc/12/74/40/507127440.db2.gz CEJVPBJPVZGTAQ-CYBMUJFWSA-N 0 3 362.430 3.308 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Br)cc1Cl ZINC000594432181 507129637 /nfs/dbraw/zinc/12/96/37/507129637.db2.gz ZHDVTZLKJFNWDM-ZDUSSCGKSA-N 0 3 358.667 3.130 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000594429840 507129670 /nfs/dbraw/zinc/12/96/70/507129670.db2.gz XCDZGFAHIFWTHS-NOOOWODRSA-N 0 3 373.341 3.423 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000594437398 507133279 /nfs/dbraw/zinc/13/32/79/507133279.db2.gz BSAQEXJONFIBJJ-KRWDZBQOSA-N 0 3 356.401 3.149 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000594444949 507137115 /nfs/dbraw/zinc/13/71/15/507137115.db2.gz GNSHYUCQUYGMAQ-DZGCQCFKSA-N 0 3 369.296 3.100 20 30 FGEDHN C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)N1[C@H](C)CC[C@@H]1C ZINC000591183452 507145900 /nfs/dbraw/zinc/14/59/00/507145900.db2.gz ZAKGYNBKYLFFGH-RSUWNVLCSA-N 0 3 364.287 3.391 20 30 FGEDHN CC(C)(NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000597948795 507193608 /nfs/dbraw/zinc/19/36/08/507193608.db2.gz NXDUQAKHGQLYOI-LJQANCHMSA-N 0 3 362.477 3.217 20 30 FGEDHN C[C@H](NC(=O)NCc1ccccc1OCCN(C)C)c1cccc(C#N)c1 ZINC000610349766 507206259 /nfs/dbraw/zinc/20/62/59/507206259.db2.gz XADDRUCTMABLAX-INIZCTEOSA-N 0 3 366.465 3.059 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C12CCC2 ZINC000594717401 507251174 /nfs/dbraw/zinc/25/11/74/507251174.db2.gz KIYKNELEMPTTOG-BZUAXINKSA-N 0 3 373.522 3.441 20 30 FGEDHN Cc1cc(NC(=O)C2(C#N)CC3(CC3)C2)ccc1OCCN1CCCC1 ZINC000601201537 507294646 /nfs/dbraw/zinc/29/46/46/507294646.db2.gz PHSGIPDDEWAJTO-UHFFFAOYSA-N 0 3 353.466 3.492 20 30 FGEDHN CS(=O)(=O)Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594920900 507315840 /nfs/dbraw/zinc/31/58/40/507315840.db2.gz BQXSUYWVCVZXAR-UHFFFAOYSA-N 0 3 354.475 3.076 20 30 FGEDHN Cc1[nH]c2c(cc(C)cc2CNC[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000591728481 507342207 /nfs/dbraw/zinc/34/22/07/507342207.db2.gz JXZGVIXOQPQNTR-LJQANCHMSA-N 0 3 363.461 3.494 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000584451337 507351061 /nfs/dbraw/zinc/35/10/61/507351061.db2.gz AIDJDMCWNHQZFT-OGQVQMHRSA-N 0 3 361.530 3.099 20 30 FGEDHN C[C@@H](NCc1ccc(CN2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073192 507379583 /nfs/dbraw/zinc/37/95/83/507379583.db2.gz SYGVWVVBMGFWIZ-BEFAXECRSA-N 0 3 353.441 3.115 20 30 FGEDHN COC(=O)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)c(F)c1 ZINC000598345397 507386888 /nfs/dbraw/zinc/38/68/88/507386888.db2.gz KMVYIVCWKLZODA-INIZCTEOSA-N 0 3 354.381 3.001 20 30 FGEDHN COc1cc2c(c(OC)c1OC)CCN(CCc1ccc(C#N)cc1)CC2 ZINC000595351016 507467773 /nfs/dbraw/zinc/46/77/73/507467773.db2.gz DQQXRJYSRKDWGM-UHFFFAOYSA-N 0 3 366.461 3.227 20 30 FGEDHN CN(C)Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000584729436 507473533 /nfs/dbraw/zinc/47/35/33/507473533.db2.gz INERJBLQPLHKGN-UHFFFAOYSA-N 0 3 364.449 3.367 20 30 FGEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000598536187 507475379 /nfs/dbraw/zinc/47/53/79/507475379.db2.gz NZIMKHWEOQSSPP-IBGZPJMESA-N 0 3 369.509 3.203 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000592077313 507475746 /nfs/dbraw/zinc/47/57/46/507475746.db2.gz WMFXOPLQJGROKT-UHFFFAOYSA-N 0 3 366.509 3.319 20 30 FGEDHN C[C@@](NCCc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000595385115 507478172 /nfs/dbraw/zinc/47/81/72/507478172.db2.gz SGPJHAJUMXBLPF-SFHVURJKSA-N 0 3 361.367 3.110 20 30 FGEDHN C[C@@H](O)[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000584783446 507502254 /nfs/dbraw/zinc/50/22/54/507502254.db2.gz FWKBJVWLNGDUAT-VFNWGFHPSA-N 0 3 353.441 3.378 20 30 FGEDHN CC(C)(C)C(=O)N1CCC[C@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000595471386 507514910 /nfs/dbraw/zinc/51/49/10/507514910.db2.gz ACXMCTVEQONYCO-GOSISDBHSA-N 0 3 368.525 3.223 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)CC(C)(C)C#N ZINC000598609085 507516286 /nfs/dbraw/zinc/51/62/86/507516286.db2.gz QDEYKCKDCCDSHF-QAETUUGQSA-N 0 3 350.503 3.262 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000611104433 507516849 /nfs/dbraw/zinc/51/68/49/507516849.db2.gz UKMGZBLFTFJBLU-LJQANCHMSA-N 0 3 364.493 3.496 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)C[C@H]1c1ccccc1 ZINC000598625718 507521318 /nfs/dbraw/zinc/52/13/18/507521318.db2.gz QORCLKAJPGXQKS-CEXWTWQISA-N 0 3 372.509 3.344 20 30 FGEDHN CN(CCC#N)C(=O)CCNC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000598642959 507528970 /nfs/dbraw/zinc/52/89/70/507528970.db2.gz KBYWMBISEPRUMM-UHFFFAOYSA-N 0 3 353.388 3.436 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C1 ZINC000595535689 507549325 /nfs/dbraw/zinc/54/93/25/507549325.db2.gz JGCBCDICSKPCSE-DLBZAZTESA-N 0 3 374.554 3.293 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CSc2ccc(Br)cc21 ZINC000598722936 507567742 /nfs/dbraw/zinc/56/77/42/507567742.db2.gz BWUMDZNGSPHVAR-DGCLKSJQSA-N 0 3 355.301 3.486 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCc2c1ccc(F)c2Br ZINC000598728788 507569052 /nfs/dbraw/zinc/56/90/52/507569052.db2.gz VQFIQSICRLBFBG-YGRLFVJLSA-N 0 3 355.251 3.466 20 30 FGEDHN N#Cc1ccccc1N1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000611259086 507585329 /nfs/dbraw/zinc/58/53/29/507585329.db2.gz FPXBTZZVYJNDEV-UHFFFAOYSA-N 0 3 374.488 3.163 20 30 FGEDHN CC(C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000595639048 507607728 /nfs/dbraw/zinc/60/77/28/507607728.db2.gz FTZVHDPGBFHJHE-UHFFFAOYSA-N 0 3 352.394 3.320 20 30 FGEDHN C=CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](C)COC ZINC000595645813 507612377 /nfs/dbraw/zinc/61/23/77/507612377.db2.gz HUBMJPGHASXSAX-CQSZACIVSA-N 0 3 361.511 3.350 20 30 FGEDHN CO[C@]1(CO)CCCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595660164 507618038 /nfs/dbraw/zinc/61/80/38/507618038.db2.gz RMMMZZQVBKPPKF-JOCHJYFZSA-N 0 3 364.489 3.360 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000595699048 507633450 /nfs/dbraw/zinc/63/34/50/507633450.db2.gz QVVVXCSTXINCAR-IBGZPJMESA-N 0 3 352.482 3.230 20 30 FGEDHN CN1CCN(Cc2ccc(CN[C@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611391164 507659148 /nfs/dbraw/zinc/65/91/48/507659148.db2.gz XVXJKKUFDFGXSM-DEOSSOPVSA-N 0 3 374.532 3.473 20 30 FGEDHN CS(=O)(=O)Nc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391815 507659800 /nfs/dbraw/zinc/65/98/00/507659800.db2.gz VQMIDLJQFJJTRU-IBGZPJMESA-N 0 3 355.463 3.097 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000611390219 507659829 /nfs/dbraw/zinc/65/98/29/507659829.db2.gz KLVWEDPLAKOEGL-GGAORHGYSA-N 0 3 361.489 3.426 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000611394562 507661644 /nfs/dbraw/zinc/66/16/44/507661644.db2.gz PZZSJUWHTVLWPA-JKSUJKDBSA-N 0 3 351.372 3.079 20 30 FGEDHN COC(=O)C(C)(C)[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000611406610 507668106 /nfs/dbraw/zinc/66/81/06/507668106.db2.gz RYMPLXDKHGQUOO-IBGZPJMESA-N 0 3 352.434 3.467 20 30 FGEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000614883560 507684721 /nfs/dbraw/zinc/68/47/21/507684721.db2.gz GMBYPWIAUMVKEM-NHCUHLMSSA-N 0 3 373.541 3.075 20 30 FGEDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000592507909 507686228 /nfs/dbraw/zinc/68/62/28/507686228.db2.gz HIELNTSWKFEZCD-RBUKOAKNSA-N 0 3 361.449 3.074 20 30 FGEDHN CCN1CCN(Cc2ccc(N[C@@H](C)CC3(C#N)CCOCC3)cc2)CC1 ZINC000602485570 507722605 /nfs/dbraw/zinc/72/26/05/507722605.db2.gz VMXWBPYIOIZEKK-IBGZPJMESA-N 0 3 370.541 3.335 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000602520145 507736497 /nfs/dbraw/zinc/73/64/97/507736497.db2.gz FNNWQQRXWRVXSR-RBUKOAKNSA-N 0 3 371.525 3.096 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636768043 568019619 /nfs/dbraw/zinc/01/96/19/568019619.db2.gz VLUXSCKYLIQEEN-UHFFFAOYSA-N 0 3 369.469 3.036 20 30 FGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819745689 599566120 /nfs/dbraw/zinc/56/61/20/599566120.db2.gz PPAQCHCQAZONNF-HXUWFJFHSA-N 0 3 363.465 3.205 20 30 FGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819745689 599566121 /nfs/dbraw/zinc/56/61/21/599566121.db2.gz PPAQCHCQAZONNF-HXUWFJFHSA-N 0 3 363.465 3.205 20 30 FGEDHN CC[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222024 607057691 /nfs/dbraw/zinc/05/76/91/607057691.db2.gz NSASDMYZHJEXPZ-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222024 607057694 /nfs/dbraw/zinc/05/76/94/607057694.db2.gz NSASDMYZHJEXPZ-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222024 607057695 /nfs/dbraw/zinc/05/76/95/607057695.db2.gz NSASDMYZHJEXPZ-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222024 607057697 /nfs/dbraw/zinc/05/76/97/607057697.db2.gz NSASDMYZHJEXPZ-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000119601233 700633847 /nfs/dbraw/zinc/63/38/47/700633847.db2.gz MIPSXTVCZFLHFD-CHWSQXEVSA-N 0 3 364.829 3.286 20 30 FGEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1csc2ccccc12 ZINC000119914071 700642831 /nfs/dbraw/zinc/64/28/31/700642831.db2.gz OVLVSMWMXPJNJY-MRXNPFEDSA-N 0 3 358.463 3.086 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)CC1 ZINC000122383694 700689143 /nfs/dbraw/zinc/68/91/43/700689143.db2.gz LKOGNDQTKBHLCH-UHFFFAOYSA-N 0 3 356.857 3.118 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc(C)nc(Cl)c1 ZINC000123848825 700711014 /nfs/dbraw/zinc/71/10/14/700711014.db2.gz DOMDSCBFLCRXRA-CYBMUJFWSA-N 0 3 357.797 3.403 20 30 FGEDHN C=C(Br)CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000125005157 700728583 /nfs/dbraw/zinc/72/85/83/700728583.db2.gz IARQAIKZNRNOQD-UHFFFAOYSA-N 0 3 357.679 3.443 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1sc(CC)nc1C ZINC000140344106 704880240 /nfs/dbraw/zinc/88/02/40/704880240.db2.gz PTMVKTQHXHUEMK-GFCCVEGCSA-N 0 3 357.435 3.374 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCc1csc(C)n1 ZINC000175111567 705533094 /nfs/dbraw/zinc/53/30/94/705533094.db2.gz WRCNHRFUWAMUIT-AWEZNQCLSA-N 0 3 357.435 3.130 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000178940851 705682336 /nfs/dbraw/zinc/68/23/36/705682336.db2.gz RMWSRUWVZKRDOG-OAHLLOKOSA-N 0 3 355.356 3.022 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000180539788 705746243 /nfs/dbraw/zinc/74/62/43/705746243.db2.gz IKHZZSZHAYOVKY-LSDHHAIUSA-N 0 3 358.463 3.404 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1nc(C)sc1C ZINC000193815339 713500366 /nfs/dbraw/zinc/50/03/66/713500366.db2.gz CVCQUIFYUCIHDN-CYBMUJFWSA-N 0 3 357.435 3.049 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2nccs2)CC1 ZINC000523371300 714230385 /nfs/dbraw/zinc/23/03/85/714230385.db2.gz FIRHJUXEHKOEIF-SFHVURJKSA-N 0 3 358.507 3.491 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccnc(SC)c1 ZINC000779196994 724399180 /nfs/dbraw/zinc/39/91/80/724399180.db2.gz KJPMSKROYVJQEK-ZDUSSCGKSA-N 0 3 355.419 3.163 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2cnc(C)s2)c(OC)c1 ZINC000634727476 717111094 /nfs/dbraw/zinc/11/10/94/717111094.db2.gz WEIZMRBBOFZHTK-BBRMVZONSA-N 0 3 362.495 3.279 20 30 FGEDHN CC(=O)c1cc(C#N)ccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000650079038 718615348 /nfs/dbraw/zinc/61/53/48/718615348.db2.gz JTZYMBMFBNPHBI-TZMCWYRMSA-N 0 3 354.328 3.447 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000668370100 721282485 /nfs/dbraw/zinc/28/24/85/721282485.db2.gz NIIPUMAAOHKUQE-UHFFFAOYSA-N 0 3 351.288 3.446 20 30 FGEDHN CN(C)[C@@H](CNc1cc(Br)cnc1C#N)c1cccs1 ZINC000787889991 725040143 /nfs/dbraw/zinc/04/01/43/725040143.db2.gz VTAOKKKZBJVPRA-ZDUSSCGKSA-N 0 3 351.273 3.492 20 30 FGEDHN C=CCOC[C@H]1CCC[C@]12CN(c1ccc(CN3CCCC3)cn1)CCO2 ZINC001164973758 722169140 /nfs/dbraw/zinc/16/91/40/722169140.db2.gz CUQLDASXTZLPNQ-IRLDBZIGSA-N 0 3 371.525 3.256 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682495371 722251194 /nfs/dbraw/zinc/25/11/94/722251194.db2.gz OOBDCZUDBKDMNU-UHFFFAOYSA-N 0 3 371.706 3.412 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000726245636 722432465 /nfs/dbraw/zinc/43/24/65/722432465.db2.gz PXCAZOKOKBIPCO-MRXNPFEDSA-N 0 3 366.303 3.249 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)Nc1ccc(Cl)nc1 ZINC000727083898 722441146 /nfs/dbraw/zinc/44/11/46/722441146.db2.gz DLCYRMWFTGMKRH-UHFFFAOYSA-N 0 3 373.913 3.367 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000730035960 722464624 /nfs/dbraw/zinc/46/46/24/722464624.db2.gz QORDFSXDQSOFCV-UHFFFAOYSA-N 0 3 368.934 3.167 20 30 FGEDHN C#CCNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000744807138 722580529 /nfs/dbraw/zinc/58/05/29/722580529.db2.gz MHHKBHOOMGTDLX-UHFFFAOYSA-N 0 3 354.281 3.234 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000751144991 722796184 /nfs/dbraw/zinc/79/61/84/722796184.db2.gz AUUUYZNDSHFOME-RDJZCZTQSA-N 0 3 350.384 3.023 20 30 FGEDHN Cc1cnc(CCN(C)CC(=O)C(C#N)c2nc3ccccc3s2)s1 ZINC000755052198 722949706 /nfs/dbraw/zinc/94/97/06/722949706.db2.gz COBBOAWAGNHBHR-CYBMUJFWSA-N 0 3 370.503 3.412 20 30 FGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccccn1 ZINC000757838174 722980288 /nfs/dbraw/zinc/98/02/88/722980288.db2.gz DTCFHDCMMZXHFU-OAHLLOKOSA-N 0 3 350.447 3.390 20 30 FGEDHN C#CCN1CCC(C(=O)NC2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000759915714 723028890 /nfs/dbraw/zinc/02/88/90/723028890.db2.gz KVKOEKDXBNFWLM-UHFFFAOYSA-N 0 3 351.277 3.444 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(C#N)c(Cl)c2)cc1 ZINC000790047745 723098989 /nfs/dbraw/zinc/09/89/89/723098989.db2.gz BPZSFOBZRJWOKF-UHFFFAOYSA-N 0 3 350.827 3.041 20 30 FGEDHN C[C@H](O)C[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000790438558 723140049 /nfs/dbraw/zinc/14/00/49/723140049.db2.gz WJOXPYFTPDUBAQ-RRFJBIMHSA-N 0 3 357.479 3.098 20 30 FGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)nc1Cl ZINC000766841123 723595320 /nfs/dbraw/zinc/59/53/20/723595320.db2.gz RVTCJHISCFZZOR-VIFPVBQESA-N 0 3 364.188 3.358 20 30 FGEDHN N#CC(C(=O)CCc1cnccn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000796632731 723647681 /nfs/dbraw/zinc/64/76/81/723647681.db2.gz XSULLLNJUKYJOX-AWEZNQCLSA-N 0 3 363.204 3.064 20 30 FGEDHN N#CC(C(=O)CCc1cncnc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000796748741 723653385 /nfs/dbraw/zinc/65/33/85/723653385.db2.gz WAARGPVIZSIKNA-CQSZACIVSA-N 0 3 363.204 3.064 20 30 FGEDHN CCCC[C@H](NC(=O)NCC)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000771564981 723737691 /nfs/dbraw/zinc/73/76/91/723737691.db2.gz HBYVUMUDRAKRKC-JSGCOSHPSA-N 0 3 358.467 3.350 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC1CCN(C(=O)C(C)(C)C)CC1 ZINC000778158929 724304600 /nfs/dbraw/zinc/30/46/00/724304600.db2.gz RVADRAQVJCCKJG-UHFFFAOYSA-N 0 3 362.901 3.479 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000801734509 724329095 /nfs/dbraw/zinc/32/90/95/724329095.db2.gz GNKIFPAVGPSJSJ-BEFAXECRSA-N 0 3 363.885 3.009 20 30 FGEDHN N#Cc1ccc(COC(=O)C2CCN(C3CC3)CC2)c(Br)c1 ZINC000801874685 724342697 /nfs/dbraw/zinc/34/26/97/724342697.db2.gz IXYKTTDENZNIQB-UHFFFAOYSA-N 0 3 363.255 3.238 20 30 FGEDHN Cc1noc(C)c1[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533358 724987084 /nfs/dbraw/zinc/98/70/84/724987084.db2.gz DDFOPDDKWGQZMY-MEBBXXQBSA-N 0 3 359.813 3.074 20 30 FGEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000805856265 725100875 /nfs/dbraw/zinc/10/08/75/725100875.db2.gz SQHPIQHDZLSEPL-OUNPNZQPSA-N 0 3 355.221 3.456 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccnn1C ZINC000817713328 727278389 /nfs/dbraw/zinc/27/83/89/727278389.db2.gz BQYHKMIMWRRZFS-ONGXEEELSA-N 0 3 365.220 3.178 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000818593079 727315852 /nfs/dbraw/zinc/31/58/52/727315852.db2.gz LGBPSCCHOPXPBP-UHFFFAOYSA-N 0 3 373.547 3.429 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000818606604 727316403 /nfs/dbraw/zinc/31/64/03/727316403.db2.gz YZRVXFVYJLPSGE-UHFFFAOYSA-N 0 3 357.841 3.212 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCCN2C)s1 ZINC000819280807 727363919 /nfs/dbraw/zinc/36/39/19/727363919.db2.gz NYPATWYJUIRTBJ-GFCCVEGCSA-N 0 3 359.948 3.049 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cccn1 ZINC000819945618 728956120 /nfs/dbraw/zinc/95/61/20/728956120.db2.gz WAPWTEKIQOXIFZ-JQWIXIFHSA-N 0 3 365.220 3.489 20 30 FGEDHN CO[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1(C)C ZINC000831547767 729650232 /nfs/dbraw/zinc/65/02/32/729650232.db2.gz VWKSTFUMOLSZHF-DYVFJYSZSA-N 0 3 357.479 3.219 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)C#Cc2cccs2)N(C)C)cc1 ZINC000832692604 729727613 /nfs/dbraw/zinc/72/76/13/729727613.db2.gz WJEOIOAFBKUXSF-IBGZPJMESA-N 0 3 356.491 3.306 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CSc2ccccc2O1)C(=O)NC1CCCCC1 ZINC000835062438 729854264 /nfs/dbraw/zinc/85/42/64/729854264.db2.gz UKUWALLCCZDLFH-HUUCEWRRSA-N 0 3 358.463 3.088 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000835064535 729855008 /nfs/dbraw/zinc/85/50/08/729855008.db2.gz GDUYPEIPHAAUHC-OPRDCNLKSA-N 0 3 360.719 3.194 20 30 FGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000835340732 729880201 /nfs/dbraw/zinc/88/02/01/729880201.db2.gz PHTHPSWJRCNPBR-CZUORRHYSA-N 0 3 353.249 3.328 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000836490376 729957570 /nfs/dbraw/zinc/95/75/70/729957570.db2.gz YBIPSLQBWFWGOY-UHFFFAOYSA-N 0 3 355.404 3.106 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)Cc1sc(SC2CCCC2)nc1C ZINC000842288062 730480749 /nfs/dbraw/zinc/48/07/49/730480749.db2.gz BDVHEMYBLQNNRD-ZDUSSCGKSA-N 0 3 363.508 3.040 20 30 FGEDHN CN(Cc1ccc(-c2cnn(C)c2)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006655 730917751 /nfs/dbraw/zinc/91/77/51/730917751.db2.gz KGVJMINMNZANQL-SFHVURJKSA-N 0 3 352.463 3.186 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)[C@]1(O)CCCOC1 ZINC000850400409 731352675 /nfs/dbraw/zinc/35/26/75/731352675.db2.gz HQEFRUVTLWUTAF-IBGZPJMESA-N 0 3 351.874 3.009 20 30 FGEDHN C=CCCC[C@@H](C)N1CCC(n2nncc2I)CC1 ZINC000852531976 731597738 /nfs/dbraw/zinc/59/77/38/731597738.db2.gz AISDYGITEGINRE-GFCCVEGCSA-N 0 3 374.270 3.264 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1cscn1 ZINC000853097787 731665309 /nfs/dbraw/zinc/66/53/09/731665309.db2.gz FINUBYNSMSEJGI-NSHDSACASA-N 0 3 363.826 3.004 20 30 FGEDHN C#CCCCCCC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000854334830 731817296 /nfs/dbraw/zinc/81/72/96/731817296.db2.gz SMCCNPLGCOWKTJ-LJQANCHMSA-N 0 3 350.547 3.290 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCCC)cc1OC(F)F ZINC000876691893 736132255 /nfs/dbraw/zinc/13/22/55/736132255.db2.gz RXNAEJIELILDRR-CYBMUJFWSA-N 0 3 362.804 3.163 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000876718725 736136456 /nfs/dbraw/zinc/13/64/56/736136456.db2.gz ZQMVAPYJTQKXTI-AWEZNQCLSA-N 0 3 362.886 3.114 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000876942812 736165723 /nfs/dbraw/zinc/16/57/23/736165723.db2.gz GETBIWADADJXRU-QGZVFWFLSA-N 0 3 359.857 3.262 20 30 FGEDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1cc(C#N)cnc1Cl ZINC000877603996 736691426 /nfs/dbraw/zinc/69/14/26/736691426.db2.gz VKBGZWYPAGWYFQ-VXGBXAGGSA-N 0 3 352.866 3.388 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N(Cc1cccs1)Cc1cccs1)C2 ZINC000884058732 737629968 /nfs/dbraw/zinc/62/99/68/737629968.db2.gz UDAOBOVUDZTVEL-HVEKOLDVSA-N 0 3 371.531 3.478 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1C(F)(F)F ZINC000884101847 737633426 /nfs/dbraw/zinc/63/34/26/737633426.db2.gz JVJUPRQDAVNYSA-IRSUPMPHSA-N 0 3 351.372 3.022 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)C2 ZINC000884125659 737636068 /nfs/dbraw/zinc/63/60/68/737636068.db2.gz DWBGMWNHEJOTNQ-OUBFZGACSA-N 0 3 357.885 3.437 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H]1CCc3c1ccc(Cl)c3Cl)C2 ZINC000884139564 737636968 /nfs/dbraw/zinc/63/69/68/737636968.db2.gz VZQSGCQHNWOTAZ-GVUYRYJJSA-N 0 3 364.276 3.236 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1CCc3c1ccc(Cl)c3Cl)C2 ZINC000884139566 737637034 /nfs/dbraw/zinc/63/70/34/737637034.db2.gz VZQSGCQHNWOTAZ-SYSYYQPFSA-N 0 3 364.276 3.236 20 30 FGEDHN C[C@@H]1C[C@@H]1[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Cl)cc1 ZINC000884157351 737638976 /nfs/dbraw/zinc/63/89/76/737638976.db2.gz YKZRJNHSHWZPJH-ATEBRJFSSA-N 0 3 357.885 3.293 20 30 FGEDHN COc1cc(CN(C)C[C@@H](O)CC2(C#N)CCC2)c(SC)cc1OC ZINC000886019691 739209239 /nfs/dbraw/zinc/20/92/39/739209239.db2.gz ZQRHSNBPNNMYPR-HNNXBMFYSA-N 0 3 364.511 3.302 20 30 FGEDHN C#CCN(C(=O)c1c(C)c(C)sc1Br)C1CCN(C)CC1 ZINC000886575995 739271849 /nfs/dbraw/zinc/27/18/49/739271849.db2.gz SLLSONFREYVNDB-UHFFFAOYSA-N 0 3 369.328 3.297 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CC(C)(C)CO2)cc1Cl ZINC000892498459 740007648 /nfs/dbraw/zinc/00/76/48/740007648.db2.gz JDPBUBQCNPWHFL-QWHCGFSZSA-N 0 3 364.829 3.201 20 30 FGEDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2nc(C#N)cs2)C[C@H]1C(F)(F)F ZINC000897625902 742697316 /nfs/dbraw/zinc/69/73/16/742697316.db2.gz JUPFNJLRQCHCKL-YUSALJHKSA-N 0 3 361.389 3.015 20 30 FGEDHN CC[C@@H](NCc1cccc(N(C)S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000903424169 743848496 /nfs/dbraw/zinc/84/84/96/743848496.db2.gz NLTRXHYHWPVJNW-LJQANCHMSA-N 0 3 357.479 3.195 20 30 FGEDHN CCCCCCN([O-])C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000904207283 743938987 /nfs/dbraw/zinc/93/89/87/743938987.db2.gz XYMFBPVMPTYAEC-QZTJIDSGSA-N 0 3 350.507 3.032 20 30 FGEDHN CCCCCCN([O-])C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000904207283 743938990 /nfs/dbraw/zinc/93/89/90/743938990.db2.gz XYMFBPVMPTYAEC-QZTJIDSGSA-N 0 3 350.507 3.032 20 30 FGEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OCC(F)(F)F ZINC000905082761 743991965 /nfs/dbraw/zinc/99/19/65/743991965.db2.gz WXFHCBISVXVMAE-QQCYMQAYSA-N 0 3 353.300 3.069 20 30 FGEDHN COc1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916881055 758150033 /nfs/dbraw/zinc/15/00/33/758150033.db2.gz KTPDISGWCCCFFW-AWEZNQCLSA-N 0 3 358.781 3.075 20 30 FGEDHN COCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917100079 758177992 /nfs/dbraw/zinc/17/79/92/758177992.db2.gz CLTNYFWBWPVKNV-OAHLLOKOSA-N 0 3 357.479 3.364 20 30 FGEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000921814452 758801371 /nfs/dbraw/zinc/80/13/71/758801371.db2.gz AWMBCKXPEDNIFG-ZSDSOXJFSA-N 0 3 369.328 3.490 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931916884 761006101 /nfs/dbraw/zinc/00/61/01/761006101.db2.gz XDWOHMFFNRZIMP-CYBMUJFWSA-N 0 3 361.364 3.315 20 30 FGEDHN CC(C)[C@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945059 761281640 /nfs/dbraw/zinc/28/16/40/761281640.db2.gz QPCRLJHKRWJTGK-HRDYMLBCSA-N 0 3 355.269 3.106 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1CCOC12CCCC2)c1cccc(Cl)c1 ZINC000934398688 761623059 /nfs/dbraw/zinc/62/30/59/761623059.db2.gz XCRYWMPCGVILIR-QGZVFWFLSA-N 0 3 361.873 3.278 20 30 FGEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC000969680706 762859611 /nfs/dbraw/zinc/85/96/11/762859611.db2.gz NOKPWBAHKJOWIT-HMRWVHPASA-N 0 3 356.432 3.061 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cc(C)sc2C)C1 ZINC000972526786 762968716 /nfs/dbraw/zinc/96/87/16/762968716.db2.gz LFTXDIYZBGQJPY-FHWLQOOXSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CCc2ccc(Cl)cc2)CC1 ZINC000981994478 763544185 /nfs/dbraw/zinc/54/41/85/763544185.db2.gz KXWGZSSCKYRURE-MOPGFXCFSA-N 0 3 362.901 3.008 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001015828414 765811202 /nfs/dbraw/zinc/81/12/02/765811202.db2.gz GVDXLKXVVOIGKS-QYZOEREBSA-N 0 3 362.901 3.054 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016867761 765825475 /nfs/dbraw/zinc/82/54/75/765825475.db2.gz NCINOIIWXTZLKQ-YSDIDTGJSA-N 0 3 352.906 3.081 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)s1 ZINC001019037524 765848996 /nfs/dbraw/zinc/84/89/96/765848996.db2.gz PHPQHANBGCMSQT-RRQGHBQHSA-N 0 3 357.504 3.175 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2Cl)C1 ZINC001020604665 765881087 /nfs/dbraw/zinc/88/10/87/765881087.db2.gz JGLUEPDEDPCUFE-KQTLUZQSSA-N 0 3 369.292 3.321 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001020726360 765887913 /nfs/dbraw/zinc/88/79/13/765887913.db2.gz HHDVXOQEAJDGOK-XSWJXKHESA-N 0 3 366.864 3.197 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001022098830 765973471 /nfs/dbraw/zinc/97/34/71/765973471.db2.gz BGHRYVJYDBYIBR-DLTWYDFYSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC001022737017 766019751 /nfs/dbraw/zinc/01/97/51/766019751.db2.gz MOLCPJFBJVTTRI-DLTWYDFYSA-N 0 3 369.292 3.321 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001022842763 766033384 /nfs/dbraw/zinc/03/33/84/766033384.db2.gz DDEKSGXVNKXVLH-RCJHGTSTSA-N 0 3 362.901 3.366 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001027585908 766098842 /nfs/dbraw/zinc/09/88/42/766098842.db2.gz RUUCQDKRAACORJ-OTWHNJEPSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC001039144890 766292698 /nfs/dbraw/zinc/29/26/98/766292698.db2.gz OZQVXTFILJDVEL-YDZRNGNQSA-N 0 3 366.933 3.115 20 30 FGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC001040263228 766302192 /nfs/dbraw/zinc/30/21/92/766302192.db2.gz CPZVLPNTPAOLOV-RYRKJORJSA-N 0 3 356.432 3.303 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001045973459 766579047 /nfs/dbraw/zinc/57/90/47/766579047.db2.gz QXMQFAQWQJZSAX-OGJWBYIPSA-N 0 3 366.933 3.425 20 30 FGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001049552313 766793374 /nfs/dbraw/zinc/79/33/74/766793374.db2.gz MYMPOLNLCQDQOQ-NCOADZHNSA-N 0 3 354.416 3.220 20 30 FGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2 ZINC001054211944 767003510 /nfs/dbraw/zinc/00/35/10/767003510.db2.gz BFZYOLRYHHDYFC-OPYAIIAOSA-N 0 3 356.535 3.498 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000577030215 505648140 /nfs/dbraw/zinc/64/81/40/505648140.db2.gz QNJPFHKTTRNYGD-LJQANCHMSA-N 0 3 363.461 3.083 20 30 FGEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000595619593 507596594 /nfs/dbraw/zinc/59/65/94/507596594.db2.gz DUCHTXUUWINNHE-CYBMUJFWSA-N 0 3 350.260 3.403 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H](N4CCCCC4)C3)o2)cc1 ZINC000075718901 493772832 /nfs/dbraw/zinc/77/28/32/493772832.db2.gz JPYJEQQZKLWEPC-SFHVURJKSA-N 0 3 351.454 3.059 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000080903514 493788622 /nfs/dbraw/zinc/78/86/22/493788622.db2.gz MOGFRFJRWHWTHY-LEWJYISDSA-N 0 3 351.494 3.386 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(O)c1 ZINC000080920493 493791100 /nfs/dbraw/zinc/79/11/00/493791100.db2.gz HZEDIBMELTUHSF-UHFFFAOYSA-N 0 3 355.463 3.275 20 30 FGEDHN Cn1cc(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1C#N ZINC000580128507 505682028 /nfs/dbraw/zinc/68/20/28/505682028.db2.gz KKYFMZFAQVMWCO-KRWDZBQOSA-N 0 3 352.486 3.442 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081125180 493837496 /nfs/dbraw/zinc/83/74/96/493837496.db2.gz YROPZSHBEZBXMA-XLIONFOSSA-N 0 3 363.461 3.058 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000030231819 493881404 /nfs/dbraw/zinc/88/14/04/493881404.db2.gz XJGFSPPKIUVOAG-FXAWDEMLSA-N 0 3 363.461 3.279 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-c2n[nH]c(C)n2)cc1)C(C)C ZINC000081396305 493886330 /nfs/dbraw/zinc/88/63/30/493886330.db2.gz RFUDCDIEAGSIDY-LJQANCHMSA-N 0 3 367.497 3.209 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000050024713 493892181 /nfs/dbraw/zinc/89/21/81/493892181.db2.gz JSGDJZGWQNUVNU-HXUWFJFHSA-N 0 3 350.466 3.169 20 30 FGEDHN COCCOc1cncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000577205136 505687054 /nfs/dbraw/zinc/68/70/54/505687054.db2.gz DYUDHTRWKPHLJE-CQSZACIVSA-N 0 3 365.311 3.011 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccsc1 ZINC000050031500 493893725 /nfs/dbraw/zinc/89/37/25/493893725.db2.gz SOVUCNFDYDYOPG-GOSISDBHSA-N 0 3 356.495 3.231 20 30 FGEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000068913569 493894708 /nfs/dbraw/zinc/89/47/08/493894708.db2.gz WFCIHLRINMIPGY-MRXNPFEDSA-N 0 3 371.506 3.107 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000030532524 493895911 /nfs/dbraw/zinc/89/59/11/493895911.db2.gz IHRXDKGCYIPXDB-OXJNMPFZSA-N 0 3 366.461 3.386 20 30 FGEDHN CC(=O)CCc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532863 493896323 /nfs/dbraw/zinc/89/63/23/493896323.db2.gz AKKPGKUAACCRDD-LAUBAEHRSA-N 0 3 366.461 3.170 20 30 FGEDHN Cc1nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000076479669 493901824 /nfs/dbraw/zinc/90/18/24/493901824.db2.gz KALXPTNYRVOBPD-KKSFZXQISA-N 0 3 362.477 3.244 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000051852325 493990848 /nfs/dbraw/zinc/99/08/48/493990848.db2.gz HPGUXKLLJYTZGN-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)C3(C#N)CCCCC3)CC2)cc1 ZINC000063262309 494037761 /nfs/dbraw/zinc/03/77/61/494037761.db2.gz NEORXQOAJXEGRR-UHFFFAOYSA-N 0 3 369.509 3.497 20 30 FGEDHN COCCN(CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000077272619 494045614 /nfs/dbraw/zinc/04/56/14/494045614.db2.gz QGZIFBXSZYMWMF-UHFFFAOYSA-N 0 3 362.433 3.299 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000063464163 494057032 /nfs/dbraw/zinc/05/70/32/494057032.db2.gz FNMYACXSYGNTIV-OAQYLSRUSA-N 0 3 362.477 3.270 20 30 FGEDHN C[C@@H](NC1(CNC(=O)c2cc(C#N)cs2)CCOCC1)c1ccccc1 ZINC000084298392 494062850 /nfs/dbraw/zinc/06/28/50/494062850.db2.gz DGYVLBSNCKBCLZ-OAHLLOKOSA-N 0 3 369.490 3.250 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381648 494071182 /nfs/dbraw/zinc/07/11/82/494071182.db2.gz GKUBQIRLLMSNTG-SFHVURJKSA-N 0 3 363.417 3.453 20 30 FGEDHN C[C@H](C1CC1)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000042123684 494203336 /nfs/dbraw/zinc/20/33/36/494203336.db2.gz ONVPGRAPTHIHLO-CQSZACIVSA-N 0 3 364.411 3.436 20 30 FGEDHN CC[C@@H](CNC(=O)NCc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000042326386 494215457 /nfs/dbraw/zinc/21/54/57/494215457.db2.gz NSWYICPVBUCFLL-NRFANRHFSA-N 0 3 362.477 3.194 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OC(F)F)c1 ZINC000065931242 494256974 /nfs/dbraw/zinc/25/69/74/494256974.db2.gz YLXZBMCCVCJJFE-UHFFFAOYSA-N 0 3 373.403 3.364 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc2cccnc21 ZINC000065930696 494257155 /nfs/dbraw/zinc/25/71/55/494257155.db2.gz IZURLGAGPUMKGC-UHFFFAOYSA-N 0 3 372.472 3.239 20 30 FGEDHN CCN(CC)[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000072834577 494260505 /nfs/dbraw/zinc/26/05/05/494260505.db2.gz AIFCIOJFZVBKSV-QGZVFWFLSA-N 0 3 352.482 3.154 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000072840451 494262749 /nfs/dbraw/zinc/26/27/49/494262749.db2.gz FRGXTCVKXQOONC-UHFFFAOYSA-N 0 3 367.497 3.355 20 30 FGEDHN CN(C)CCN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000078499202 494309173 /nfs/dbraw/zinc/30/91/73/494309173.db2.gz SBASGSFXJRVHJR-UHFFFAOYSA-N 0 3 366.465 3.357 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2cnccc21 ZINC000073055728 494314543 /nfs/dbraw/zinc/31/45/43/494314543.db2.gz UNGHRCQNBHCTFR-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN N#Cc1ccccc1CSCCNCc1ccc(-n2cncn2)c(F)c1 ZINC000055472466 494349961 /nfs/dbraw/zinc/34/99/61/494349961.db2.gz TXMVBEICXSGOQD-UHFFFAOYSA-N 0 3 367.453 3.301 20 30 FGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1C(C)(C)C ZINC000044566201 494365885 /nfs/dbraw/zinc/36/58/85/494365885.db2.gz UDNGFAMMBRPJBS-UHFFFAOYSA-N 0 3 367.497 3.022 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000089816523 494372156 /nfs/dbraw/zinc/37/21/56/494372156.db2.gz UAYBXIDUCWHDID-KRWDZBQOSA-N 0 3 365.477 3.377 20 30 FGEDHN C=CCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1OC ZINC000016599925 494395421 /nfs/dbraw/zinc/39/54/21/494395421.db2.gz SMHMJXXEGKYNIX-SFHVURJKSA-N 0 3 354.450 3.293 20 30 FGEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000055757788 494402709 /nfs/dbraw/zinc/40/27/09/494402709.db2.gz KOFZTYNSNYCPSK-IXDOHACOSA-N 0 3 359.539 3.274 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000067210818 494495102 /nfs/dbraw/zinc/49/51/02/494495102.db2.gz YHZLIOOPNZGEGE-UHFFFAOYSA-N 0 3 353.388 3.055 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000056553800 494524860 /nfs/dbraw/zinc/52/48/60/494524860.db2.gz UUFWUVSNZNOGRR-GOSISDBHSA-N 0 3 366.465 3.251 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CCN(CC)CC2)cc1 ZINC000056555069 494525576 /nfs/dbraw/zinc/52/55/76/494525576.db2.gz MECULXSQNRNFIA-UHFFFAOYSA-N 0 3 370.497 3.107 20 30 FGEDHN COc1ccc(OCCN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022850294 494538970 /nfs/dbraw/zinc/53/89/70/494538970.db2.gz WVBDKVAVIMMMPT-UHFFFAOYSA-N 0 3 365.477 3.154 20 30 FGEDHN COc1ccc([C@@H](NC[C@H](O)COc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000023677798 494575069 /nfs/dbraw/zinc/57/50/69/494575069.db2.gz ZEMRDJZVQHIGTB-UGKGYDQZSA-N 0 3 368.477 3.488 20 30 FGEDHN COc1cc(C#N)ccc1CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000121155851 494622109 /nfs/dbraw/zinc/62/21/09/494622109.db2.gz SDRJZEPOJXLOCW-UHFFFAOYSA-N 0 3 364.493 3.101 20 30 FGEDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000092707855 494722044 /nfs/dbraw/zinc/72/20/44/494722044.db2.gz JZKNAEIUPNBCJA-LJQANCHMSA-N 0 3 356.514 3.165 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000108683981 494761381 /nfs/dbraw/zinc/76/13/81/494761381.db2.gz XWGIZYZUEWTWLJ-FUHIMQAGSA-N 0 3 357.498 3.198 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1F ZINC000047740465 494769209 /nfs/dbraw/zinc/76/92/09/494769209.db2.gz RGVQPASZDISPJR-HXUWFJFHSA-N 0 3 356.441 3.487 20 30 FGEDHN CC[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000025868009 494784849 /nfs/dbraw/zinc/78/48/49/494784849.db2.gz SCTMGRYEONANGO-GHTZIAJQSA-N 0 3 354.450 3.242 20 30 FGEDHN Cc1occc1C(=O)NC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000093010086 494808028 /nfs/dbraw/zinc/80/80/28/494808028.db2.gz VPKQOKSHVZHBIS-HNNXBMFYSA-N 0 3 367.449 3.273 20 30 FGEDHN N#CCSc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000093064538 494819794 /nfs/dbraw/zinc/81/97/94/494819794.db2.gz AYNQFLJHSJKZAA-UHFFFAOYSA-N 0 3 366.490 3.344 20 30 FGEDHN C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000093121462 494828392 /nfs/dbraw/zinc/82/83/92/494828392.db2.gz ACWCAQOFRSYMDX-INIZCTEOSA-N 0 3 363.465 3.230 20 30 FGEDHN C#CCCOc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000093134245 494832423 /nfs/dbraw/zinc/83/24/23/494832423.db2.gz GJLLEXCXDRMNPN-SFHVURJKSA-N 0 3 350.466 3.006 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C2CCCC2)CC1 ZINC000027119795 494853160 /nfs/dbraw/zinc/85/31/60/494853160.db2.gz UNWOLHSYBXZJIG-AWEZNQCLSA-N 0 3 360.889 3.099 20 30 FGEDHN C/C=C/c1ccc(OC[C@H](O)CN(C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000027208181 494856500 /nfs/dbraw/zinc/85/65/00/494856500.db2.gz GZHFFTXTJFDZHY-PEAOBZDDSA-N 0 3 366.461 3.472 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000574324039 505747214 /nfs/dbraw/zinc/74/72/14/505747214.db2.gz QUAKLAGUEOOOIL-UYAOXDASSA-N 0 3 361.449 3.389 20 30 FGEDHN N#Cc1ccc2ncc(CN(CCCO)[C@@H]3CCCc4ccccc43)n2c1 ZINC000093741275 494916105 /nfs/dbraw/zinc/91/61/05/494916105.db2.gz ZUVCAEHNBUKGKH-OAQYLSRUSA-N 0 3 360.461 3.468 20 30 FGEDHN C=CCOc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1Cl ZINC000093817352 494925139 /nfs/dbraw/zinc/92/51/39/494925139.db2.gz AYEJASXANLNKLY-KRWDZBQOSA-N 0 3 350.890 3.059 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000574344172 505751213 /nfs/dbraw/zinc/75/12/13/505751213.db2.gz GSHCOBRPMQVLSU-CRAIPNDOSA-N 0 3 354.479 3.136 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000110174960 494955286 /nfs/dbraw/zinc/95/52/86/494955286.db2.gz ZIFMBUQECNXZNF-OAQYLSRUSA-N 0 3 365.477 3.331 20 30 FGEDHN N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000133457112 495016847 /nfs/dbraw/zinc/01/68/47/495016847.db2.gz VLYQFOYQYJKRCR-OALUTQOASA-N 0 3 359.433 3.214 20 30 FGEDHN N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000133457112 495016853 /nfs/dbraw/zinc/01/68/53/495016853.db2.gz VLYQFOYQYJKRCR-OALUTQOASA-N 0 3 359.433 3.214 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000133457112 495016858 /nfs/dbraw/zinc/01/68/58/495016858.db2.gz VLYQFOYQYJKRCR-OALUTQOASA-N 0 3 359.433 3.214 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CCN1C ZINC000122750754 495025246 /nfs/dbraw/zinc/02/52/46/495025246.db2.gz PQLSYKNGQGCKMB-NVXWUHKLSA-N 0 3 367.449 3.285 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H]2CCCC[C@H]2n2cccn2)c(C#N)c1C ZINC000127996188 495028191 /nfs/dbraw/zinc/02/81/91/495028191.db2.gz SRROEWPLJVSNJB-JKSUJKDBSA-N 0 3 357.483 3.145 20 30 FGEDHN CCCN1CCC[C@@H]1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111130405 495042574 /nfs/dbraw/zinc/04/25/74/495042574.db2.gz ZNSCKUQTCHJNAF-CTWPCTMYSA-N 0 3 355.482 3.239 20 30 FGEDHN C[C@@](C#N)(NC(=O)CN(CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000123474387 495138180 /nfs/dbraw/zinc/13/81/80/495138180.db2.gz KMANXQLNAYGYMH-NRFANRHFSA-N 0 3 357.473 3.421 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000123643949 495166049 /nfs/dbraw/zinc/16/60/49/495166049.db2.gz MLZHSFYGEJYYJK-HDCIMXRVSA-N 0 3 358.482 3.214 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000112636575 495215850 /nfs/dbraw/zinc/21/58/50/495215850.db2.gz DWVBWUVLMSKBHF-UHFFFAOYSA-N 0 3 362.905 3.106 20 30 FGEDHN CC(C)[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCCCC1 ZINC000104488222 495286135 /nfs/dbraw/zinc/28/61/35/495286135.db2.gz KSTFWEDQTPSJCS-OAQYLSRUSA-N 0 3 369.509 3.439 20 30 FGEDHN C=CCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000574436934 505772851 /nfs/dbraw/zinc/77/28/51/505772851.db2.gz SSHVHMZODPJAAB-FQEVSTJZSA-N 0 3 365.525 3.312 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCCCCC1 ZINC000114266710 495358201 /nfs/dbraw/zinc/35/82/01/495358201.db2.gz ZIHJYQVRZINVSG-QGZVFWFLSA-N 0 3 355.482 3.193 20 30 FGEDHN C[C@]1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCCc2ccccc21 ZINC000571634257 505778938 /nfs/dbraw/zinc/77/89/38/505778938.db2.gz LGWUVPCRCKJEFQ-OAQYLSRUSA-N 0 3 368.502 3.216 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2Br)CC1 ZINC000106034999 495406388 /nfs/dbraw/zinc/40/63/88/495406388.db2.gz UIXMIUZABORDCW-UHFFFAOYSA-N 0 3 351.288 3.148 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCOc2cccc(C(C)=O)c2)CC1 ZINC000106035707 495405984 /nfs/dbraw/zinc/40/59/84/495405984.db2.gz QVWLAJNUQUEQDI-UHFFFAOYSA-N 0 3 358.482 3.205 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000125275331 495418301 /nfs/dbraw/zinc/41/83/01/495418301.db2.gz DEEWGWBHDYMKQR-UHFFFAOYSA-N 0 3 370.449 3.453 20 30 FGEDHN C=C(C)CN1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000106244910 495439800 /nfs/dbraw/zinc/43/98/00/495439800.db2.gz ZRZYOGRQSKVYSV-UHFFFAOYSA-N 0 3 355.385 3.326 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000120901773 495481296 /nfs/dbraw/zinc/48/12/96/495481296.db2.gz USLCRVNEXUEYOV-INIZCTEOSA-N 0 3 361.449 3.400 20 30 FGEDHN Cc1nc(SCC(=O)N2CCC[C@H](N3CCCC3)C2)c(C#N)c(C)c1C ZINC000107600748 495529502 /nfs/dbraw/zinc/52/95/02/495529502.db2.gz ZJKCDXVMQOSJMJ-KRWDZBQOSA-N 0 3 372.538 3.057 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000154168450 495533214 /nfs/dbraw/zinc/53/32/14/495533214.db2.gz IWQPJKLPWBMEFR-QGZVFWFLSA-N 0 3 370.840 3.089 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC000182406826 495551961 /nfs/dbraw/zinc/55/19/61/495551961.db2.gz XOQLIBWLMLBABS-UHFFFAOYSA-N 0 3 358.482 3.397 20 30 FGEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3cc(C)on3)n2)cc1 ZINC000179471428 495603850 /nfs/dbraw/zinc/60/38/50/495603850.db2.gz QFZYLXKMBDDMDV-CYBMUJFWSA-N 0 3 354.391 3.361 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000159116703 495663333 /nfs/dbraw/zinc/66/33/33/495663333.db2.gz NZEIYADAGXJINL-PZJWPPBQSA-N 0 3 372.557 3.267 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000185664282 495668762 /nfs/dbraw/zinc/66/87/62/495668762.db2.gz VDNBFVPXQWSOBA-LPHOPBHVSA-N 0 3 357.498 3.394 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CC2)C(C)C ZINC000173757346 495679779 /nfs/dbraw/zinc/67/97/79/495679779.db2.gz DWWOFIMQBKYPMF-LJQANCHMSA-N 0 3 370.497 3.391 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734447 495710404 /nfs/dbraw/zinc/71/04/04/495710404.db2.gz SIGQFMMNKVFUGK-FOIQADDNSA-N 0 3 358.482 3.312 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCN(C4CCCCC4)CC3)C2=O)cc1 ZINC000182851439 495727111 /nfs/dbraw/zinc/72/71/11/495727111.db2.gz MACKKXWFYDEKJA-OAQYLSRUSA-N 0 3 366.509 3.004 20 30 FGEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171151344 495745177 /nfs/dbraw/zinc/74/51/77/495745177.db2.gz JCHIDDAMNCBXAF-GOSISDBHSA-N 0 3 367.497 3.409 20 30 FGEDHN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000173937668 495754623 /nfs/dbraw/zinc/75/46/23/495754623.db2.gz PPZFBSIPUWZFEO-INIZCTEOSA-N 0 3 369.490 3.194 20 30 FGEDHN N#Cc1c(NC(=O)CCN[C@H](CO)c2ccccc2)sc2c1CCCC2 ZINC000182916808 495757080 /nfs/dbraw/zinc/75/70/80/495757080.db2.gz SHMWAQPVFDVYGS-QGZVFWFLSA-N 0 3 369.490 3.150 20 30 FGEDHN COC(=O)[C@H](N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000176714541 495760330 /nfs/dbraw/zinc/76/03/30/495760330.db2.gz STZUXUPTNAXQNT-NHCUHLMSSA-N 0 3 363.461 3.199 20 30 FGEDHN C=CCC[C@H](NC(=O)N[C@H](C)CCN1CCN(C)CC1)c1ccccc1 ZINC000185879816 495762005 /nfs/dbraw/zinc/76/20/05/495762005.db2.gz YTYHZPGTHGUINK-QUCCMNQESA-N 0 3 358.530 3.019 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000179874222 495766305 /nfs/dbraw/zinc/76/63/05/495766305.db2.gz MTHUIEGPUHEJHN-HXUWFJFHSA-N 0 3 360.461 3.215 20 30 FGEDHN COc1ccccc1C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000185890093 495767249 /nfs/dbraw/zinc/76/72/49/495767249.db2.gz IYQNLCWMICDTTE-LJQANCHMSA-N 0 3 351.450 3.362 20 30 FGEDHN CN(CCNC(=O)Nc1cc(C#N)ccc1OC(F)F)Cc1ccccc1 ZINC000171231368 495780114 /nfs/dbraw/zinc/78/01/14/495780114.db2.gz IWOVHOFRLFNPLP-UHFFFAOYSA-N 0 3 374.391 3.413 20 30 FGEDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173999529 495783022 /nfs/dbraw/zinc/78/30/22/495783022.db2.gz ZJAZDXBIMBCZED-MRXNPFEDSA-N 0 3 371.506 3.237 20 30 FGEDHN C=CCC[C@@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000180040008 495834529 /nfs/dbraw/zinc/83/45/29/495834529.db2.gz JLEKOAGREYWFCK-UXHICEINSA-N 0 3 359.491 3.421 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc3[nH]ccc3c(C(=O)OC)c2)CC1 ZINC000568929661 505810261 /nfs/dbraw/zinc/81/02/61/505810261.db2.gz GJKICRHWDAQRQA-UHFFFAOYSA-N 0 3 370.453 3.117 20 30 FGEDHN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160197388 495906891 /nfs/dbraw/zinc/90/68/91/495906891.db2.gz SANHAEIWIQTGIH-CRAIPNDOSA-N 0 3 353.445 3.067 20 30 FGEDHN COc1ccc([C@H]2CCN(CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000155318010 495918212 /nfs/dbraw/zinc/91/82/12/495918212.db2.gz PJUSNPKOVCIVMQ-INIZCTEOSA-N 0 3 355.463 3.446 20 30 FGEDHN Cc1c([C@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)cnn1C ZINC000183319941 495929876 /nfs/dbraw/zinc/92/98/76/495929876.db2.gz PBEKVNMTIQVGPV-LBPRGKRZSA-N 0 3 371.510 3.220 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1C#N ZINC000174374912 495932285 /nfs/dbraw/zinc/93/22/85/495932285.db2.gz ADAVFLNYQMCDPA-JKSUJKDBSA-N 0 3 359.433 3.422 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000177163684 495954396 /nfs/dbraw/zinc/95/43/96/495954396.db2.gz KZNLPGMPWZXEKO-SFHVURJKSA-N 0 3 366.427 3.101 20 30 FGEDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000171631738 495956522 /nfs/dbraw/zinc/95/65/22/495956522.db2.gz HWMCKVXZNDBTAC-CQSZACIVSA-N 0 3 373.844 3.111 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151831194 495961469 /nfs/dbraw/zinc/96/14/69/495961469.db2.gz YEKKXRSDUXAKNR-CABCVRRESA-N 0 3 359.451 3.129 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccnc2Nc2ccccc2OC)CC1 ZINC000171720411 496005471 /nfs/dbraw/zinc/00/54/71/496005471.db2.gz NEWBIYAWBAMBRK-UHFFFAOYSA-N 0 3 366.465 3.214 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2CC)CC1 ZINC000171719323 496005911 /nfs/dbraw/zinc/00/59/11/496005911.db2.gz YOPKNSJWQAOCSV-UHFFFAOYSA-N 0 3 372.900 3.468 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1c(C)n[nH]c1C ZINC000180522324 496031480 /nfs/dbraw/zinc/03/14/80/496031480.db2.gz JUYCWQZPENZYNX-OALUTQOASA-N 0 3 355.482 3.332 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000174652323 496047475 /nfs/dbraw/zinc/04/74/75/496047475.db2.gz RBZHFKZPEKCAOO-UPVQGACJSA-N 0 3 373.500 3.353 20 30 FGEDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000174666458 496053092 /nfs/dbraw/zinc/05/30/92/496053092.db2.gz SNNPMQSQGTZSSI-AWEZNQCLSA-N 0 3 353.422 3.255 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(C#N)cn2C)CCN1Cc1ccccc1 ZINC000177422998 496056165 /nfs/dbraw/zinc/05/61/65/496056165.db2.gz TTZFLEFANZUTFN-QFBILLFUSA-N 0 3 350.466 3.022 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177500788 496087646 /nfs/dbraw/zinc/08/76/46/496087646.db2.gz KHZAASFGBDIAMN-CALCHBBNSA-N 0 3 359.489 3.409 20 30 FGEDHN N#CCCn1cc(CN[C@@H]2Cc3ccccc3[C@@H]2O)c(-c2ccccc2)n1 ZINC000172067757 496150155 /nfs/dbraw/zinc/15/01/55/496150155.db2.gz KAQYKAPGMFPONW-IRLDBZIGSA-N 0 3 358.445 3.212 20 30 FGEDHN N#Cc1cc(NC(=O)NCC2CCN(c3ccncc3)CC2)ccc1F ZINC000180842492 496167452 /nfs/dbraw/zinc/16/74/52/496167452.db2.gz ULUBDONFRVPIEH-UHFFFAOYSA-N 0 3 353.401 3.130 20 30 FGEDHN N#CCCn1cc(CNC[C@@H](O)c2ccsc2)c(-c2ccccc2)n1 ZINC000152564351 496189872 /nfs/dbraw/zinc/18/98/72/496189872.db2.gz MRTQWVBBGWKKTO-GOSISDBHSA-N 0 3 352.463 3.348 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000156304483 496210743 /nfs/dbraw/zinc/21/07/43/496210743.db2.gz NMPQVURCJTZNRX-NHCUHLMSSA-N 0 3 354.425 3.176 20 30 FGEDHN CN(C)[C@H](CC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000571864020 505832145 /nfs/dbraw/zinc/83/21/45/505832145.db2.gz DJDVUKGSOQFQTN-LJQANCHMSA-N 0 3 362.477 3.158 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000172390332 496279760 /nfs/dbraw/zinc/27/97/60/496279760.db2.gz IQMURHPIRIAKOE-OAHLLOKOSA-N 0 3 354.454 3.352 20 30 FGEDHN C=CC[C@H](CO)NCc1cc(Br)c(OCCC)c(OC)c1 ZINC000184278470 496316330 /nfs/dbraw/zinc/31/63/30/496316330.db2.gz FCPMKZIVKOTCIM-CYBMUJFWSA-N 0 3 358.276 3.273 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000172494460 496316806 /nfs/dbraw/zinc/31/68/06/496316806.db2.gz GVCGQESHMOGLGR-IBGZPJMESA-N 0 3 354.498 3.497 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000153012871 496326037 /nfs/dbraw/zinc/32/60/37/496326037.db2.gz ZSHAKHNLBTXHLU-HKUYNNGSSA-N 0 3 368.481 3.250 20 30 FGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181294592 496343615 /nfs/dbraw/zinc/34/36/15/496343615.db2.gz KIPDQGSKSFYPQV-HNNXBMFYSA-N 0 3 351.406 3.244 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000178233018 496378949 /nfs/dbraw/zinc/37/89/49/496378949.db2.gz UMIOHKIMFHJNRB-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN C[C@@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(C#N)c1 ZINC000181402661 496379866 /nfs/dbraw/zinc/37/98/66/496379866.db2.gz RWGODJNZRYNOAK-IIBYNOLFSA-N 0 3 353.441 3.421 20 30 FGEDHN C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181421245 496387924 /nfs/dbraw/zinc/38/79/24/496387924.db2.gz SYLPVLSIFQZFAO-XMSQKQJNSA-N 0 3 365.477 3.313 20 30 FGEDHN C=CCC[C@@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153280271 496406916 /nfs/dbraw/zinc/40/69/16/496406916.db2.gz NXDYSHXMDRNBGC-MRXNPFEDSA-N 0 3 357.325 3.481 20 30 FGEDHN CC(C)(C)OC(=O)CCCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000181503523 496423728 /nfs/dbraw/zinc/42/37/28/496423728.db2.gz BJQFIYUQKUSDCT-UHFFFAOYSA-N 0 3 357.498 3.188 20 30 FGEDHN CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CCCN(C)C1 ZINC000153426095 496451121 /nfs/dbraw/zinc/45/11/21/496451121.db2.gz QQKCEKRRYBGMJT-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCN(C)C)cc1 ZINC000181581718 496455105 /nfs/dbraw/zinc/45/51/05/496455105.db2.gz ZJVVZFHLRCMNPG-UHFFFAOYSA-N 0 3 354.410 3.042 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000157384219 496466426 /nfs/dbraw/zinc/46/64/26/496466426.db2.gz ZCHYJQUPRLXIGD-UHFFFAOYSA-N 0 3 355.404 3.039 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000178570933 496502449 /nfs/dbraw/zinc/50/24/49/496502449.db2.gz NBIRXLVKWGSEIJ-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000175753212 496528990 /nfs/dbraw/zinc/52/89/90/496528990.db2.gz UMWBGGJNJJCZPN-UHFFFAOYSA-N 0 3 362.477 3.364 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000163920534 496570538 /nfs/dbraw/zinc/57/05/38/496570538.db2.gz QCSBTEQCNPWKDX-OAQYLSRUSA-N 0 3 358.526 3.105 20 30 FGEDHN CN(C)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC000157896342 496579722 /nfs/dbraw/zinc/57/97/22/496579722.db2.gz GTTLIDJDHQVTOU-IBGZPJMESA-N 0 3 365.477 3.005 20 30 FGEDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1C#N ZINC000173208667 496594234 /nfs/dbraw/zinc/59/42/34/496594234.db2.gz ZUTZWXMASYNZGH-HOTGVXAUSA-N 0 3 359.433 3.422 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccsc1Cl)C(C)C ZINC000187894870 496612140 /nfs/dbraw/zinc/61/21/40/496612140.db2.gz FNEOVEHSYRYGLM-AWEZNQCLSA-N 0 3 369.918 3.155 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000182172654 496697128 /nfs/dbraw/zinc/69/71/28/496697128.db2.gz WUDGKEKSKLBWTP-UHFFFAOYSA-N 0 3 359.470 3.414 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3ncc(C)s3)CC2)CC1 ZINC000277313593 496733079 /nfs/dbraw/zinc/73/30/79/496733079.db2.gz BMXWPDZVCYNCAV-UHFFFAOYSA-N 0 3 362.543 3.381 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(Br)c2C)CC1 ZINC000191367299 496739754 /nfs/dbraw/zinc/73/97/54/496739754.db2.gz NOKWYCATXLJZRL-UHFFFAOYSA-N 0 3 365.315 3.457 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194966820 496775498 /nfs/dbraw/zinc/77/54/98/496775498.db2.gz HTVRFEIXSDRJAF-UHFFFAOYSA-N 0 3 350.447 3.485 20 30 FGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000188450048 496793228 /nfs/dbraw/zinc/79/32/28/496793228.db2.gz SCFQHJZCZHHFCM-WIYYLYMNSA-N 0 3 357.498 3.394 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC000188472241 496801436 /nfs/dbraw/zinc/80/14/36/496801436.db2.gz XHFMALUVOJSNFZ-WBVHZDCISA-N 0 3 351.425 3.480 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COCc3cccs3)CC2)cc1 ZINC000264117311 496815222 /nfs/dbraw/zinc/81/52/22/496815222.db2.gz KGKLIXCTWAMZJL-QGZVFWFLSA-N 0 3 372.490 3.041 20 30 FGEDHN C=CCc1cc(CNC[C@](C)(C(=O)OC)c2ccccc2)cc(OC)c1O ZINC000191590588 496824045 /nfs/dbraw/zinc/82/40/45/496824045.db2.gz CDQFVTCNRNXPQI-QFIPXVFZSA-N 0 3 369.461 3.350 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(OC4COC4)cc3)CC2)cc1 ZINC000188650081 496864636 /nfs/dbraw/zinc/86/46/36/496864636.db2.gz LVDVCNPJCDWOGL-UHFFFAOYSA-N 0 3 363.461 3.412 20 30 FGEDHN CC(C)(CNC(=O)Nc1ncccc1OCCCC#N)N1CCCCC1 ZINC000188681676 496874874 /nfs/dbraw/zinc/87/48/74/496874874.db2.gz PMZONFWDGKXEJE-UHFFFAOYSA-N 0 3 359.474 3.150 20 30 FGEDHN N#Cc1cc(F)c(NCc2ccccc2CN2CCC(O)CC2)c(F)c1 ZINC000269349747 496925795 /nfs/dbraw/zinc/92/57/95/496925795.db2.gz MLFDYNSSGQFGOY-UHFFFAOYSA-N 0 3 357.404 3.405 20 30 FGEDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000248569967 497043406 /nfs/dbraw/zinc/04/34/06/497043406.db2.gz FUURJVWAFOPZDO-IHOKSEFQSA-N 0 3 369.509 3.460 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000248757873 497100330 /nfs/dbraw/zinc/10/03/30/497100330.db2.gz GIXHMYWDDPHTDQ-DYESRHJHSA-N 0 3 359.473 3.492 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000248757875 497100767 /nfs/dbraw/zinc/10/07/67/497100767.db2.gz GIXHMYWDDPHTDQ-LAUBAEHRSA-N 0 3 359.473 3.492 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000278419256 497108092 /nfs/dbraw/zinc/10/80/92/497108092.db2.gz REIQCNRKUSVERM-NVXWUHKLSA-N 0 3 355.404 3.172 20 30 FGEDHN CN(CCC#N)C(=O)CCN(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000270554765 497149528 /nfs/dbraw/zinc/14/95/28/497149528.db2.gz CJLSTZOEOAFAHH-SFHVURJKSA-N 0 3 371.506 3.046 20 30 FGEDHN CCC(C)(C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccccc1 ZINC000274791087 497166418 /nfs/dbraw/zinc/16/64/18/497166418.db2.gz PYSRQEXINAFIAK-UHFFFAOYSA-O 0 3 371.482 3.420 20 30 FGEDHN N#Cc1sc(NCc2ccc(CN3CCC(O)CC3)cc2)nc1Cl ZINC000278809501 497228383 /nfs/dbraw/zinc/22/83/83/497228383.db2.gz ZJBFSVFNJZGDDY-UHFFFAOYSA-N 0 3 362.886 3.237 20 30 FGEDHN CCN1CCN(CCCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000193049323 497287803 /nfs/dbraw/zinc/28/78/03/497287803.db2.gz GMSNBFBIIWPKEG-UHFFFAOYSA-N 0 3 371.529 3.027 20 30 FGEDHN C#CCCCCC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000271385189 497334145 /nfs/dbraw/zinc/33/41/45/497334145.db2.gz SKCIBFVLOORHGZ-UHFFFAOYSA-N 0 3 356.510 3.368 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)COCc1ccccc1 ZINC000279272827 497390030 /nfs/dbraw/zinc/39/00/30/497390030.db2.gz JIYPIXJRJUPDFS-DYESRHJHSA-N 0 3 361.445 3.210 20 30 FGEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000271632502 497404336 /nfs/dbraw/zinc/40/43/36/497404336.db2.gz DLHVSVVVEYZIHM-ZDUSSCGKSA-N 0 3 357.376 3.040 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266765157 497415167 /nfs/dbraw/zinc/41/51/67/497415167.db2.gz RDDFTWHFUCCPKA-KRWDZBQOSA-N 0 3 365.481 3.233 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1O ZINC000245570519 497460713 /nfs/dbraw/zinc/46/07/13/497460713.db2.gz XCSGLZFFIOJHPR-MBOZVWFJSA-N 0 3 374.525 3.203 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000193836556 497496942 /nfs/dbraw/zinc/49/69/42/497496942.db2.gz JLIOQTNRDJFLLB-HNNXBMFYSA-N 0 3 355.388 3.088 20 30 FGEDHN C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000279846441 497562333 /nfs/dbraw/zinc/56/23/33/497562333.db2.gz APLTXIHKKWHICL-DQLDELGASA-N 0 3 360.461 3.048 20 30 FGEDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1n1ccnc1 ZINC000245923920 497572890 /nfs/dbraw/zinc/57/28/90/497572890.db2.gz HJPNRZYLPSLHCX-OXQOHEQNSA-N 0 3 360.465 3.238 20 30 FGEDHN N#CCOc1ccccc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000194148815 497587333 /nfs/dbraw/zinc/58/73/33/497587333.db2.gz BRFIWXPQXKLQOC-UHFFFAOYSA-N 0 3 363.461 3.026 20 30 FGEDHN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279945463 497598051 /nfs/dbraw/zinc/59/80/51/497598051.db2.gz GKUQNUMSPUQSMO-NQYLQCIDSA-N 0 3 365.408 3.272 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000246108438 497624239 /nfs/dbraw/zinc/62/42/39/497624239.db2.gz XFFMAXMOFOAUQH-OALUTQOASA-N 0 3 350.418 3.200 20 30 FGEDHN N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1cnc2ccccc2n1 ZINC000190893087 497635854 /nfs/dbraw/zinc/63/58/54/497635854.db2.gz ZILZBLOBRGEYRA-MRXNPFEDSA-N 0 3 356.385 3.247 20 30 FGEDHN N#CC(C(=O)c1cccc(N2CCCC2=O)c1)c1cnc2ccccc2n1 ZINC000190893087 497635860 /nfs/dbraw/zinc/63/58/60/497635860.db2.gz ZILZBLOBRGEYRA-MRXNPFEDSA-N 0 3 356.385 3.247 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3c(F)ccc(F)c3C2)cc1 ZINC000280088877 497645404 /nfs/dbraw/zinc/64/54/04/497645404.db2.gz OHHROPGYRUIHBB-HNNXBMFYSA-N 0 3 351.356 3.104 20 30 FGEDHN CC1(C#N)CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000272506678 497646586 /nfs/dbraw/zinc/64/65/86/497646586.db2.gz HDXATQOVBXDPML-UHFFFAOYSA-N 0 3 360.527 3.295 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000280107547 497651373 /nfs/dbraw/zinc/65/13/73/497651373.db2.gz PKCHBGAXDLBMLY-RBUKOAKNSA-N 0 3 351.450 3.239 20 30 FGEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1cnc2ccccc2n1 ZINC000190972274 497665851 /nfs/dbraw/zinc/66/58/51/497665851.db2.gz NJNOSEPNYWETRO-MRXNPFEDSA-N 0 3 356.385 3.012 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cccc(CC#N)c2)cc1 ZINC000272621343 497681499 /nfs/dbraw/zinc/68/14/99/497681499.db2.gz IVURKBQABSICLN-NRFANRHFSA-N 0 3 363.461 3.328 20 30 FGEDHN Cc1sc(NC(=O)CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000246420443 497728665 /nfs/dbraw/zinc/72/86/65/497728665.db2.gz CACNCTZWUOCMHE-MAUKXSAKSA-N 0 3 372.538 3.124 20 30 FGEDHN C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000272856117 497746730 /nfs/dbraw/zinc/74/67/30/497746730.db2.gz URUULCIVWQOIGT-CQSZACIVSA-N 0 3 365.399 3.007 20 30 FGEDHN Cn1cc(CNCc2ccc3cnn(C)c3c2)c(-c2ccc(C#N)cc2)n1 ZINC000578383557 505927146 /nfs/dbraw/zinc/92/71/46/505927146.db2.gz OYVPMFIDCGYEBI-UHFFFAOYSA-N 0 3 356.433 3.135 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000268541579 497777042 /nfs/dbraw/zinc/77/70/42/497777042.db2.gz ZMUWWYNMECFDJJ-PBHICJAKSA-N 0 3 351.410 3.184 20 30 FGEDHN COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000329541637 497824216 /nfs/dbraw/zinc/82/42/16/497824216.db2.gz XHYLQUILXQODFW-CABCVRRESA-N 0 3 352.862 3.273 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)C3(C#N)CCCCC3)cc2)CC1 ZINC000284550378 497826270 /nfs/dbraw/zinc/82/62/70/497826270.db2.gz DPMKXCVNAQPSLK-UHFFFAOYSA-N 0 3 355.482 3.250 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](CC3CC3)C2)cc1 ZINC000569429484 505932398 /nfs/dbraw/zinc/93/23/98/505932398.db2.gz CXZKFZXSDSJUGG-ZFWWWQNUSA-N 0 3 361.467 3.026 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000329598626 497840232 /nfs/dbraw/zinc/84/02/32/497840232.db2.gz WMXLOEABYBRWEY-XOPPTJLZSA-N 0 3 359.495 3.488 20 30 FGEDHN O=C(NCCN1CCC2(CCCCC2)CC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329601567 497841660 /nfs/dbraw/zinc/84/16/60/497841660.db2.gz XRCHYWHIQBMTOJ-RCCFBDPRSA-N 0 3 350.503 3.041 20 30 FGEDHN C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1=CCN(C)CC1 ZINC000329702203 497875019 /nfs/dbraw/zinc/87/50/19/497875019.db2.gz HYAPFNFBRYJNPY-SUMWQHHRSA-N 0 3 361.873 3.300 20 30 FGEDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000296033513 497897182 /nfs/dbraw/zinc/89/71/82/497897182.db2.gz MRAXLFNXLZKQNU-IAGOWNOFSA-N 0 3 374.554 3.435 20 30 FGEDHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2CCC[C@H]2C1 ZINC000329787536 497901185 /nfs/dbraw/zinc/90/11/85/497901185.db2.gz YURMYQAYKXGGKP-RDBSUJKOSA-N 0 3 359.426 3.080 20 30 FGEDHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2CCC[C@@H]2C1 ZINC000329787533 497901563 /nfs/dbraw/zinc/90/15/63/497901563.db2.gz YURMYQAYKXGGKP-MCIONIFRSA-N 0 3 359.426 3.080 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)cc2)CC1 ZINC000296046371 497903270 /nfs/dbraw/zinc/90/32/70/497903270.db2.gz OIMUPPVUUDUIOA-JOCHJYFZSA-N 0 3 367.493 3.250 20 30 FGEDHN Cc1nc(C(C)C)oc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000292199999 497920200 /nfs/dbraw/zinc/92/02/00/497920200.db2.gz IIYZTKGTLDTRGR-UHFFFAOYSA-N 0 3 354.454 3.182 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)c2cc3n(n2)CCCO3)N2CCCC2)cc1 ZINC000329887544 497939853 /nfs/dbraw/zinc/93/98/53/497939853.db2.gz XOAJQQXXVJVMQK-GOSISDBHSA-N 0 3 354.454 3.116 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000329899763 497945455 /nfs/dbraw/zinc/94/54/55/497945455.db2.gz FRUYDQSCLWVHQK-NFBKMPQASA-N 0 3 371.440 3.289 20 30 FGEDHN C[C@@]1(CNC(=O)c2cc3n(n2)CCCO3)CCCN1Cc1ccccc1 ZINC000329901994 497945795 /nfs/dbraw/zinc/94/57/95/497945795.db2.gz HJAHUUKONMGZEV-FQEVSTJZSA-N 0 3 354.454 3.025 20 30 FGEDHN CN(C)CCNC(=O)c1cccc(CNc2ccc(Cl)cc2C#N)c1 ZINC000301155753 497975335 /nfs/dbraw/zinc/97/53/35/497975335.db2.gz AGRHEGOAAZKHHH-UHFFFAOYSA-N 0 3 356.857 3.115 20 30 FGEDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000329975571 497977110 /nfs/dbraw/zinc/97/71/10/497977110.db2.gz DTNQWJMHGMDZAU-OALUTQOASA-N 0 3 367.497 3.025 20 30 FGEDHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CCCc2c[nH]nc21 ZINC000330067372 498009368 /nfs/dbraw/zinc/00/93/68/498009368.db2.gz FLWGQATXXAGKCQ-OALUTQOASA-N 0 3 367.497 3.345 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000330101342 498021750 /nfs/dbraw/zinc/02/17/50/498021750.db2.gz FDKONXOJPMVOQR-KSZLIROESA-N 0 3 357.498 3.103 20 30 FGEDHN COc1ccc([C@H](CNC(=O)N[C@@H]2CCCSC2)N2CCCC2)cc1 ZINC000330103173 498023622 /nfs/dbraw/zinc/02/36/22/498023622.db2.gz GQBDUWZCIPNTNL-AEFFLSMTSA-N 0 3 363.527 3.231 20 30 FGEDHN C[C@H]1CCCCN(CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000330120119 498028603 /nfs/dbraw/zinc/02/86/03/498028603.db2.gz AZAQVDZPLQMHRH-KRWDZBQOSA-N 0 3 357.498 3.388 20 30 FGEDHN N#CC1(CCCN2CCN(C/C=C/c3ccccc3)CC2)CCOCC1 ZINC000281140567 498032952 /nfs/dbraw/zinc/03/29/52/498032952.db2.gz ARJNOGOLUVGJBV-XBXARRHUSA-N 0 3 353.510 3.418 20 30 FGEDHN O=C(CSc1ccc(C(F)(F)F)nn1)NC1CCN(C2CC2)CC1 ZINC000330178418 498051121 /nfs/dbraw/zinc/05/11/21/498051121.db2.gz DQELXEXLOGECGO-UHFFFAOYSA-N 0 3 360.405 3.171 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1noc2ccccc12)C(C)C ZINC000569589425 505971691 /nfs/dbraw/zinc/97/16/91/505971691.db2.gz LEMUSXBKBKOIJH-GOSISDBHSA-N 0 3 356.470 3.326 20 30 FGEDHN CN(C(=O)C1(c2ccc(C#N)cc2)CC1)C1CCN(c2ccncc2)CC1 ZINC000364641601 498063969 /nfs/dbraw/zinc/06/39/69/498063969.db2.gz NKDVQIGWNUJBEY-UHFFFAOYSA-N 0 3 360.461 3.112 20 30 FGEDHN CC[C@@H]1C[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC(=O)N1 ZINC000330244749 498076783 /nfs/dbraw/zinc/07/67/83/498076783.db2.gz KLCQTJMATHYTOV-OTWHNJEPSA-N 0 3 373.497 3.379 20 30 FGEDHN CN1CC[C@@H](NCc2ccc(OCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000289318193 498102584 /nfs/dbraw/zinc/10/25/84/498102584.db2.gz BXTVYMSIUGRNPP-UXHICEINSA-N 0 3 357.404 3.402 20 30 FGEDHN CO[C@]1(C)C[C@@H](NC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1(C)C ZINC000330328528 498106480 /nfs/dbraw/zinc/10/64/80/498106480.db2.gz LTAHBDUCUMRHNU-TWFHAPMSSA-N 0 3 374.529 3.124 20 30 FGEDHN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000330439874 498134529 /nfs/dbraw/zinc/13/45/29/498134529.db2.gz OJDRCHKBSNLAQC-BBWFWOEESA-N 0 3 353.894 3.404 20 30 FGEDHN COc1ccc(NC(=O)NCCN2CCCCC2)cc1Br ZINC000330478907 498139219 /nfs/dbraw/zinc/13/92/19/498139219.db2.gz NLWJMMSXVIDDNO-UHFFFAOYSA-N 0 3 356.264 3.270 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 ZINC000285623421 498151548 /nfs/dbraw/zinc/15/15/48/498151548.db2.gz XABDVBHZQANRTF-UHFFFAOYSA-N 0 3 353.441 3.353 20 30 FGEDHN CC[C@H](C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 ZINC000581435380 505988053 /nfs/dbraw/zinc/98/80/53/505988053.db2.gz QIGQRCJENNZACX-HNNXBMFYSA-N 0 3 350.470 3.072 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000289503127 498170896 /nfs/dbraw/zinc/17/08/96/498170896.db2.gz LAMZTALRVUHASV-RHSMWYFYSA-N 0 3 361.511 3.160 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000364898774 498198962 /nfs/dbraw/zinc/19/89/62/498198962.db2.gz WTQNFCUONNYEIZ-IBGZPJMESA-N 0 3 371.868 3.431 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000330896465 498214472 /nfs/dbraw/zinc/21/44/72/498214472.db2.gz GXXHGVMEUPLHPR-NXEZZACHSA-N 0 3 356.220 3.145 20 30 FGEDHN Cc1cc(C=C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)no1 ZINC000360573592 498286447 /nfs/dbraw/zinc/28/64/47/498286447.db2.gz SLNHXDRAFPDPTL-UHFFFAOYSA-N 0 3 350.422 3.363 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281887935 498306062 /nfs/dbraw/zinc/30/60/62/498306062.db2.gz FOCKBXIHDBVOBF-GRARQNNCSA-N 0 3 365.477 3.029 20 30 FGEDHN C[C@H](NCCC(=O)N1CCOc2ccccc2C1)c1ccc(C#N)s1 ZINC000360812731 498313957 /nfs/dbraw/zinc/31/39/57/498313957.db2.gz VTJDUBMTQCNJNA-AWEZNQCLSA-N 0 3 355.463 3.082 20 30 FGEDHN N#Cc1cnc2ccccc2c1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000301892084 498314565 /nfs/dbraw/zinc/31/45/65/498314565.db2.gz VNYNMIPQYUQOHW-RBUKOAKNSA-N 0 3 358.445 3.154 20 30 FGEDHN C=CCC(F)(F)c1nc(-c2ccc(OCCN(C)C)c(OC)c2)no1 ZINC000293262548 498324285 /nfs/dbraw/zinc/32/42/85/498324285.db2.gz VQOHXYMFYHEAER-UHFFFAOYSA-N 0 3 353.369 3.354 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CO[C@@H](C)C2)cc1OC ZINC000575868203 506021529 /nfs/dbraw/zinc/02/15/29/506021529.db2.gz VKGFXNSBFOUOEV-AAEUAGOBSA-N 0 3 356.260 3.290 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1ccco1 ZINC000572656168 506022300 /nfs/dbraw/zinc/02/23/00/506022300.db2.gz SRXIMQYTCWQBTR-CZUORRHYSA-N 0 3 356.426 3.411 20 30 FGEDHN N#Cc1cc2c(nc1NCc1ccccc1CN1CC[C@H](O)C1)CCCC2 ZINC000302047848 498383626 /nfs/dbraw/zinc/38/36/26/498383626.db2.gz LUCNYKYAXWJWPQ-FQEVSTJZSA-N 0 3 362.477 3.011 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN2CCN([C@@H]3CCSC3)CC2)cc1 ZINC000362160905 498470359 /nfs/dbraw/zinc/47/03/59/498470359.db2.gz LJDOUCGEXYGINP-MRXNPFEDSA-N 0 3 370.440 3.060 20 30 FGEDHN CC(C)(C#N)c1ccc(NC(=O)N2CCCN(C3CCOCC3)CC2)cc1 ZINC000365481274 498489441 /nfs/dbraw/zinc/48/94/41/498489441.db2.gz AVLFCEWQLICTPO-UHFFFAOYSA-N 0 3 370.497 3.206 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000282438994 498512443 /nfs/dbraw/zinc/51/24/43/498512443.db2.gz MWZDPKFVCWMLAP-CRAIPNDOSA-N 0 3 367.424 3.028 20 30 FGEDHN CN1CCC[C@H](CNC(=O)COc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000365541977 498523446 /nfs/dbraw/zinc/52/34/46/498523446.db2.gz YDCWBRUULXKXHJ-UZLBHIALSA-N 0 3 369.490 3.198 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3ccnc(Cl)c3Cl)CC2)nc1 ZINC000365670768 498590469 /nfs/dbraw/zinc/59/04/69/498590469.db2.gz FRDDVFNKHQPPNS-UHFFFAOYSA-N 0 3 362.264 3.414 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000578955858 506059937 /nfs/dbraw/zinc/05/99/37/506059937.db2.gz JAXKARIUOBOJJD-UXHICEINSA-N 0 3 357.475 3.261 20 30 FGEDHN CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000578980051 506066751 /nfs/dbraw/zinc/06/67/51/506066751.db2.gz QVLFBOVBOXIGDV-NQIIRXRSSA-N 0 3 366.461 3.168 20 30 FGEDHN N#Cc1ccc(OCCN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000363105585 498651992 /nfs/dbraw/zinc/65/19/92/498651992.db2.gz XGOJUDSRXQPOJV-NRFANRHFSA-N 0 3 361.445 3.385 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000287238161 498684642 /nfs/dbraw/zinc/68/46/42/498684642.db2.gz YPRMZHPWFMVKHW-HUUCEWRRSA-N 0 3 357.903 3.293 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000287238165 498684966 /nfs/dbraw/zinc/68/49/66/498684966.db2.gz YPRMZHPWFMVKHW-LSDHHAIUSA-N 0 3 357.903 3.293 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000579055126 506083079 /nfs/dbraw/zinc/08/30/79/506083079.db2.gz KNRSGRDIHBRPJF-FQEVSTJZSA-N 0 3 358.869 3.264 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCC[C@H](CO)C2)c1 ZINC000363346910 498773904 /nfs/dbraw/zinc/77/39/04/498773904.db2.gz ABLFRZCXNOOKHX-OALUTQOASA-N 0 3 357.498 3.033 20 30 FGEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@@H](C)C1 ZINC000570101827 506091120 /nfs/dbraw/zinc/09/11/20/506091120.db2.gz BNJFRFUNGVFKMH-DOXZYTNZSA-N 0 3 357.473 3.164 20 30 FGEDHN N#Cc1cc(Br)cnc1N1CCCN(Cc2ccccc2)CC1 ZINC000324245689 498826416 /nfs/dbraw/zinc/82/64/16/498826416.db2.gz HHSCZOZZPJSGCD-UHFFFAOYSA-N 0 3 371.282 3.428 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC=C(c3cncc(F)c3)CC2)cc1 ZINC000366269190 498851890 /nfs/dbraw/zinc/85/18/90/498851890.db2.gz ZZDMTXPSECTICG-SFHVURJKSA-N 0 3 360.392 3.091 20 30 FGEDHN CO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1(C)C ZINC000294928358 498852770 /nfs/dbraw/zinc/85/27/70/498852770.db2.gz GBZNRARXUMAFLJ-SFHVURJKSA-N 0 3 353.470 3.106 20 30 FGEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](CO)c1ccccc1 ZINC000295071643 498899949 /nfs/dbraw/zinc/89/99/49/498899949.db2.gz PICLQGUJYSAMJD-HXUWFJFHSA-N 0 3 361.449 3.024 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000333112196 498902690 /nfs/dbraw/zinc/90/26/90/498902690.db2.gz XTMMRJQWQCULSZ-USWSCHJFSA-N 0 3 354.498 3.136 20 30 FGEDHN C[C@]1(c2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)NC(=O)[N-]C1=O ZINC000328716610 498913250 /nfs/dbraw/zinc/91/32/50/498913250.db2.gz DXWYCQOJNGUZLL-HXUWFJFHSA-N 0 3 370.453 3.117 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000328850403 498960502 /nfs/dbraw/zinc/96/05/02/498960502.db2.gz UPFYAMOOUWPGCH-WOJBJXKFSA-N 0 3 357.498 3.031 20 30 FGEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@@H](C2CCOCC2)C1 ZINC000328853969 498961854 /nfs/dbraw/zinc/96/18/54/498961854.db2.gz SRWBNQHYAPJTEH-GDBMZVCRSA-N 0 3 360.454 3.183 20 30 FGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(Br)cc1C#N ZINC000295283833 498966731 /nfs/dbraw/zinc/96/67/31/498966731.db2.gz IRDZUAIIGDHHAV-IUODEOHRSA-N 0 3 362.271 3.020 20 30 FGEDHN C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000288214161 498969260 /nfs/dbraw/zinc/96/92/60/498969260.db2.gz RRSXJTFOAOQZPE-OXJNMPFZSA-N 0 3 350.466 3.391 20 30 FGEDHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CC[C@H](C2CCOCC2)C1 ZINC000328876782 498970892 /nfs/dbraw/zinc/97/08/92/498970892.db2.gz ZWVFOVWXGMSFNL-QAPCUYQASA-N 0 3 359.470 3.194 20 30 FGEDHN O=C(CN1CCC[C@H]1C1CCC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000328906423 498980552 /nfs/dbraw/zinc/98/05/52/498980552.db2.gz BMJKKOBMNVOKAD-HNNXBMFYSA-N 0 3 359.426 3.224 20 30 FGEDHN CN1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000328922740 498985536 /nfs/dbraw/zinc/98/55/36/498985536.db2.gz MQSJCGOJRUVCMF-QYZOEREBSA-N 0 3 371.525 3.325 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC000579223082 506123046 /nfs/dbraw/zinc/12/30/46/506123046.db2.gz MRYIUPNRRZHKNC-KKSFZXQISA-N 0 3 354.425 3.299 20 30 FGEDHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000328923652 498986752 /nfs/dbraw/zinc/98/67/52/498986752.db2.gz NFPFIEIUGPTZJM-VHKYSDTDSA-N 0 3 354.498 3.270 20 30 FGEDHN CC1CCN(CCNC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC1 ZINC000328950870 498997330 /nfs/dbraw/zinc/99/73/30/498997330.db2.gz CKOZUYIUXRDDGM-HKUYNNGSSA-N 0 3 363.477 3.139 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000579235173 506126323 /nfs/dbraw/zinc/12/63/23/506126323.db2.gz ZAJGAEOHMRPWDI-OXJNMPFZSA-N 0 3 357.498 3.150 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000329077211 499035210 /nfs/dbraw/zinc/03/52/10/499035210.db2.gz PZOZXKXPWQKDOE-UJNZZBMASA-N 0 3 361.461 3.032 20 30 FGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000329104657 499043753 /nfs/dbraw/zinc/04/37/53/499043753.db2.gz GTZVNARFEQFJGM-LZQZEXGQSA-N 0 3 371.481 3.152 20 30 FGEDHN CC(C)[C@@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CCO1 ZINC000329109758 499044792 /nfs/dbraw/zinc/04/47/92/499044792.db2.gz GARRTQBALRJVAY-SJORKVTESA-N 0 3 369.575 3.055 20 30 FGEDHN Cc1ccn(C2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)n1 ZINC000366757408 499061408 /nfs/dbraw/zinc/06/14/08/499061408.db2.gz SCRWUJYQYNVMPG-UHFFFAOYSA-N 0 3 360.465 3.301 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@@H]3COc4cccc(F)c43)CC2)cc1 ZINC000366775860 499068662 /nfs/dbraw/zinc/06/86/62/499068662.db2.gz IIWPFJICNKUHKN-LJQANCHMSA-N 0 3 351.425 3.385 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccccc1 ZINC000329229458 499078902 /nfs/dbraw/zinc/07/89/02/499078902.db2.gz JIHZBYCTHVDREA-FGTMMUONSA-N 0 3 358.486 3.034 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000284274044 499080459 /nfs/dbraw/zinc/08/04/59/499080459.db2.gz NAUIPJAMSBAKGL-PXNSSMCTSA-N 0 3 368.868 3.185 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cnc1N1CCCC[C@@H]1C ZINC000329262983 499086555 /nfs/dbraw/zinc/08/65/55/499086555.db2.gz BJBOPBABORRUGL-UHOSZYNNSA-N 0 3 371.529 3.483 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)no1 ZINC000329328854 499100527 /nfs/dbraw/zinc/10/05/27/499100527.db2.gz VAXCBWTUELLYFA-SFHVURJKSA-N 0 3 369.469 3.094 20 30 FGEDHN C[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000329355576 499107310 /nfs/dbraw/zinc/10/73/10/499107310.db2.gz VUGFCSQUWFKPNU-PXNSSMCTSA-N 0 3 369.509 3.075 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284512888 499119209 /nfs/dbraw/zinc/11/92/09/499119209.db2.gz OALAKVJSRROZKM-UHFFFAOYSA-N 0 3 363.461 3.270 20 30 FGEDHN C=CCN(C(=O)c1cn(C(C)C)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000366950835 499121152 /nfs/dbraw/zinc/12/11/52/499121152.db2.gz HEJJKLUSMKKIHT-IBGZPJMESA-N 0 3 352.482 3.367 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000372771188 499173213 /nfs/dbraw/zinc/17/32/13/499173213.db2.gz YTFQZQOAHUAMIS-QUCCMNQESA-N 0 3 351.450 3.092 20 30 FGEDHN N#Cc1ncn(C2CCN(CCCc3ccccc3Br)CC2)n1 ZINC000370122369 499183842 /nfs/dbraw/zinc/18/38/42/499183842.db2.gz NNVHKPGVWWPISZ-UHFFFAOYSA-N 0 3 374.286 3.182 20 30 FGEDHN C=CCC[C@@H](NC(=O)N1CCCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000370427214 499219688 /nfs/dbraw/zinc/21/96/88/499219688.db2.gz CKBIPJFFPJUJLO-LJQANCHMSA-N 0 3 359.514 3.182 20 30 FGEDHN C[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367804984 499234763 /nfs/dbraw/zinc/23/47/63/499234763.db2.gz VULMDGJICKXVBH-MGPUTAFESA-N 0 3 354.475 3.453 20 30 FGEDHN CN1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000582136263 506141825 /nfs/dbraw/zinc/14/18/25/506141825.db2.gz GSOVEUFFRBNOQA-PMACEKPBSA-N 0 3 360.461 3.292 20 30 FGEDHN C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000371352038 499314138 /nfs/dbraw/zinc/31/41/38/499314138.db2.gz WPBFGGZJEYLZLD-RDTXWAMCSA-N 0 3 366.431 3.039 20 30 FGEDHN CC[C@H](CSc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000573199204 506142079 /nfs/dbraw/zinc/14/20/79/506142079.db2.gz OOOKKHRXGDCEPX-QGZVFWFLSA-N 0 3 374.531 3.492 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2[C@@H]3CCc4ccccc4[C@H]23)cc1 ZINC000369138743 499369783 /nfs/dbraw/zinc/36/97/83/499369783.db2.gz GZQCVAARNBFZHT-ZDFPQIBNSA-N 0 3 355.441 3.333 20 30 FGEDHN C=CCOc1cccc(CN2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000372442304 499435357 /nfs/dbraw/zinc/43/53/57/499435357.db2.gz LUXDIDNJERJXOI-ROUUACIJSA-N 0 3 372.509 3.099 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@@H](CO)c3c(F)cccc3F)CC2)cc1 ZINC000373187502 499456279 /nfs/dbraw/zinc/45/62/79/499456279.db2.gz VUSIQLVPOUFIDK-FQEVSTJZSA-N 0 3 371.431 3.124 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000376053706 499579181 /nfs/dbraw/zinc/57/91/81/499579181.db2.gz FGDNLZLAMRNHHM-KXBFYZLASA-N 0 3 367.428 3.249 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000376062504 499579905 /nfs/dbraw/zinc/57/99/05/499579905.db2.gz SIQDLZSCBPNEHB-DZFIZOCASA-N 0 3 351.837 3.072 20 30 FGEDHN N#CC1CCC(CNC(=O)NC2CCN(Cc3cccs3)CC2)CC1 ZINC000376671097 499627476 /nfs/dbraw/zinc/62/74/76/499627476.db2.gz JMQDHPAOBFZXIC-UHFFFAOYSA-N 0 3 360.527 3.342 20 30 FGEDHN Cc1cccc(NC2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000376754779 499633559 /nfs/dbraw/zinc/63/35/59/499633559.db2.gz TYZSRAOAMRWXGB-IBGZPJMESA-N 0 3 373.460 3.047 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000576434881 506156916 /nfs/dbraw/zinc/15/69/16/506156916.db2.gz QMBBUYFNSRZBRT-CVEARBPZSA-N 0 3 373.476 3.101 20 30 FGEDHN COC[C@]1(CNCc2ccc(O[C@H](C)C#N)cc2)OCCc2ccccc21 ZINC000377719235 499724889 /nfs/dbraw/zinc/72/48/89/499724889.db2.gz FKMFJELMNRVMTM-VGSWGCGISA-N 0 3 366.461 3.182 20 30 FGEDHN CSc1ccc(OC[C@@H](O)CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000411468886 499744524 /nfs/dbraw/zinc/74/45/24/499744524.db2.gz JRPFEAMHFXDSBB-KRWDZBQOSA-N 0 3 354.475 3.299 20 30 FGEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000377937613 499749660 /nfs/dbraw/zinc/74/96/60/499749660.db2.gz KIAHFORBHJKODY-GHTZIAJQSA-N 0 3 352.503 3.471 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc1OC ZINC000414550039 499807035 /nfs/dbraw/zinc/80/70/35/499807035.db2.gz MKTDESJMJKZGTQ-GOSISDBHSA-N 0 3 358.482 3.237 20 30 FGEDHN CN(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000412338666 499846362 /nfs/dbraw/zinc/84/63/62/499846362.db2.gz NRAYPUQLMRDVNC-XUVXKRRUSA-N 0 3 351.425 3.220 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415166640 499872340 /nfs/dbraw/zinc/87/23/40/499872340.db2.gz RUXKQOAGAYZWHM-NFAWXSAZSA-N 0 3 362.499 3.173 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415166637 499872366 /nfs/dbraw/zinc/87/23/66/499872366.db2.gz RUXKQOAGAYZWHM-IPYPFGDCSA-N 0 3 362.499 3.173 20 30 FGEDHN C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)N1[C@H](C)CC[C@@H]1C ZINC000413121988 499916485 /nfs/dbraw/zinc/91/64/85/499916485.db2.gz XQEKAKODSQKUIA-OQMKEHIESA-N 0 3 364.287 3.391 20 30 FGEDHN Cn1c2ccccc2cc(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=O ZINC000576476078 506168096 /nfs/dbraw/zinc/16/80/96/506168096.db2.gz RYOWGGZCKIABPZ-UHFFFAOYSA-N 0 3 373.456 3.454 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429143678 500012189 /nfs/dbraw/zinc/01/21/89/500012189.db2.gz RLSAZKCDEZETMC-INIZCTEOSA-N 0 3 351.903 3.269 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1F ZINC000421330968 500018756 /nfs/dbraw/zinc/01/87/56/500018756.db2.gz YTNBUZYBFCSXTD-OAHLLOKOSA-N 0 3 368.330 3.246 20 30 FGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000421331195 500018816 /nfs/dbraw/zinc/01/88/16/500018816.db2.gz ZMJPBBDKQNUXGZ-HNNXBMFYSA-N 0 3 370.447 3.439 20 30 FGEDHN C=CCn1c(COCC)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000582269511 506172674 /nfs/dbraw/zinc/17/26/74/506172674.db2.gz JUVYQRFPLFNXML-IBGZPJMESA-N 0 3 369.513 3.101 20 30 FGEDHN COC1CCN(C2(CNc3c(C#N)cccc3[N+](=O)[O-])CCCC2)CC1 ZINC000425226090 500049139 /nfs/dbraw/zinc/04/91/39/500049139.db2.gz MMKYDCSUDFAPDE-UHFFFAOYSA-N 0 3 358.442 3.302 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(F)c1 ZINC000413907611 500092650 /nfs/dbraw/zinc/09/26/50/500092650.db2.gz AYNLDUGDXIGWGC-ZWKOTPCHSA-N 0 3 367.424 3.380 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000421702783 500121481 /nfs/dbraw/zinc/12/14/81/500121481.db2.gz KSLZODDHMKXLJE-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429706514 500127108 /nfs/dbraw/zinc/12/71/08/500127108.db2.gz DBIWAMGZRFOURH-QGZVFWFLSA-N 0 3 365.481 3.068 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C#N)o1 ZINC000429898980 500164151 /nfs/dbraw/zinc/16/41/51/500164151.db2.gz XTUKHOGKFGAIBU-LJQANCHMSA-N 0 3 351.450 3.354 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000426034979 500228707 /nfs/dbraw/zinc/22/87/07/500228707.db2.gz JZKHPNOWELACBJ-NRFANRHFSA-N 0 3 369.509 3.330 20 30 FGEDHN N#CC1CCC(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418176347 500242692 /nfs/dbraw/zinc/24/26/92/500242692.db2.gz UJVVZCUBXWOZQK-ALLBUHFWSA-N 0 3 350.466 3.469 20 30 FGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000430740330 500278190 /nfs/dbraw/zinc/27/81/90/500278190.db2.gz JZISMJRRUURXHM-INIZCTEOSA-N 0 3 361.511 3.206 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)CN(Cc2ccccc2)C1=O)C(C)C ZINC000430898156 500303965 /nfs/dbraw/zinc/30/39/65/500303965.db2.gz AMDUNINVWQNSIU-IBGZPJMESA-N 0 3 355.482 3.149 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCC1(C#N)CCC1)c1cccc(OC)c1 ZINC000419410255 500363144 /nfs/dbraw/zinc/36/31/44/500363144.db2.gz OLVFCKUFFRDCLH-GOSISDBHSA-N 0 3 358.486 3.071 20 30 FGEDHN CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419630457 500386178 /nfs/dbraw/zinc/38/61/78/500386178.db2.gz CWQBYHIBRXAJCB-HXUWFJFHSA-N 0 3 366.465 3.302 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000427910478 500444851 /nfs/dbraw/zinc/44/48/51/500444851.db2.gz BISWRXRNEOVSLB-UHFFFAOYSA-N 0 3 368.868 3.310 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000424114779 500455948 /nfs/dbraw/zinc/45/59/48/500455948.db2.gz SRKOWJUEANFLFJ-OALUTQOASA-N 0 3 357.404 3.386 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000424119799 500457363 /nfs/dbraw/zinc/45/73/63/500457363.db2.gz DEVLLBYYQYZVTM-HUUCEWRRSA-N 0 3 372.469 3.464 20 30 FGEDHN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424123199 500457614 /nfs/dbraw/zinc/45/76/14/500457614.db2.gz KIYZKQKPSTUMAJ-YOEHRIQHSA-N 0 3 363.889 3.151 20 30 FGEDHN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](N)CCCC#N)s2)cc1 ZINC000424131360 500458863 /nfs/dbraw/zinc/45/88/63/500458863.db2.gz UXEZFOFDPHVHDA-MLGOLLRUSA-N 0 3 372.494 3.326 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000424155042 500461402 /nfs/dbraw/zinc/46/14/02/500461402.db2.gz PDMBVRZWOQCFRL-CZUORRHYSA-N 0 3 370.280 3.384 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(COc2ccc(OC)cc2)n1 ZINC000424177509 500464098 /nfs/dbraw/zinc/46/40/98/500464098.db2.gz UFXWTAYVSQTPGF-KSSFIOAISA-N 0 3 360.479 3.411 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000424186980 500465511 /nfs/dbraw/zinc/46/55/11/500465511.db2.gz IJMQNISDYPEKEW-SJORKVTESA-N 0 3 367.453 3.201 20 30 FGEDHN C=CCC1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CCOCC1 ZINC000424595326 500524302 /nfs/dbraw/zinc/52/43/02/500524302.db2.gz FNLSQSMPFGXKOZ-UHFFFAOYSA-N 0 3 356.510 3.449 20 30 FGEDHN C=CCN1CCC(NC(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)CC1 ZINC000420922676 500530937 /nfs/dbraw/zinc/53/09/37/500530937.db2.gz WOFPFEMDSPHFMC-UHFFFAOYSA-N 0 3 373.497 3.028 20 30 FGEDHN C=CCCn1cc(C(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)nn1 ZINC000424721993 500550389 /nfs/dbraw/zinc/55/03/89/500550389.db2.gz MWROPTMBLFLDQO-PKOBYXMFSA-N 0 3 367.497 3.152 20 30 FGEDHN C=CCC1(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCOCC1 ZINC000424745102 500555134 /nfs/dbraw/zinc/55/51/34/500555134.db2.gz YVYCNPMPQDQYKI-KRWDZBQOSA-N 0 3 357.498 3.096 20 30 FGEDHN CCN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@H](C)CO ZINC000428839910 500564254 /nfs/dbraw/zinc/56/42/54/500564254.db2.gz LVNZBCQEUDXWFE-MRXNPFEDSA-N 0 3 354.450 3.349 20 30 FGEDHN CC[C@@H](NCc1ccc(N2CCN(CC)CC2)nc1)c1ccc(C#N)cc1 ZINC000447529368 500618024 /nfs/dbraw/zinc/61/80/24/500618024.db2.gz JZKLRDPMNUMFSN-OAQYLSRUSA-N 0 3 363.509 3.336 20 30 FGEDHN C[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000442790749 500626070 /nfs/dbraw/zinc/62/60/70/500626070.db2.gz HMQNBTCOONPAFW-SJCJKPOMSA-N 0 3 361.367 3.497 20 30 FGEDHN COc1ccc(CCNC(=O)C(C#N)CCc2ccccc2)cc1OC ZINC000433106057 500626801 /nfs/dbraw/zinc/62/68/01/500626801.db2.gz SNJDLQATSKBHIA-GOSISDBHSA-N 0 3 352.434 3.135 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433318404 500671025 /nfs/dbraw/zinc/67/10/25/500671025.db2.gz ONNJMYVVTMHEJM-FQEVSTJZSA-N 0 3 367.468 3.488 20 30 FGEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000433329529 500673062 /nfs/dbraw/zinc/67/30/62/500673062.db2.gz GNLFNUDZSZAWDC-OAHLLOKOSA-N 0 3 369.469 3.069 20 30 FGEDHN Cn1c(CCNC(=O)C(C#N)CCc2ccccc2)nc2cc(F)ccc21 ZINC000433345470 500677335 /nfs/dbraw/zinc/67/73/35/500677335.db2.gz XMHJSQHKTAPZIN-INIZCTEOSA-N 0 3 364.424 3.144 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)CC1 ZINC000437725605 500686763 /nfs/dbraw/zinc/68/67/63/500686763.db2.gz VBTGBJZFVBKTAL-CVEARBPZSA-N 0 3 365.424 3.094 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000437929896 500718419 /nfs/dbraw/zinc/71/84/19/500718419.db2.gz HZCKTRNXLKKIAM-UFYCRDLUSA-N 0 3 357.498 3.104 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000437981234 500724650 /nfs/dbraw/zinc/72/46/50/500724650.db2.gz BSLAGZVIXGWALI-SFTDATJTSA-N 0 3 373.541 3.174 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000448727490 500816311 /nfs/dbraw/zinc/81/63/11/500816311.db2.gz YEEDXYMQMSLJID-GMAHTHKFSA-N 0 3 361.489 3.426 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448779746 500831813 /nfs/dbraw/zinc/83/18/13/500831813.db2.gz GVAURKUHQFVURN-OLZOCXBDSA-N 0 3 364.287 3.171 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448779745 500831954 /nfs/dbraw/zinc/83/19/54/500831954.db2.gz GVAURKUHQFVURN-CHWSQXEVSA-N 0 3 364.287 3.171 20 30 FGEDHN C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)N1[C@H](C)CC[C@H]1C ZINC000444525210 500855577 /nfs/dbraw/zinc/85/55/77/500855577.db2.gz LAYQKDNJOXETRA-BZUAXINKSA-N 0 3 374.916 3.122 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NCCN2CCCC(C)(C)C2)c1C#N ZINC000444628184 500869276 /nfs/dbraw/zinc/86/92/76/500869276.db2.gz HCLZWOYEECXKCE-UHFFFAOYSA-N 0 3 372.538 3.404 20 30 FGEDHN C=CCCCCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449246335 500956824 /nfs/dbraw/zinc/95/68/24/500956824.db2.gz AZBSBBZVHGBMJW-CYBMUJFWSA-N 0 3 369.303 3.408 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000435731223 501019368 /nfs/dbraw/zinc/01/93/68/501019368.db2.gz KIEUXTYRXPKONH-UZLBHIALSA-N 0 3 363.933 3.163 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2N(C)C(C)C)CC1 ZINC000445863763 501043474 /nfs/dbraw/zinc/04/34/74/501043474.db2.gz OMEBTXUYPZSWHM-UHFFFAOYSA-N 0 3 358.530 3.371 20 30 FGEDHN CN(C)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1c(F)cccc1F ZINC000435927875 501047462 /nfs/dbraw/zinc/04/74/62/501047462.db2.gz NVFNRFIEBWUQEQ-LPHOPBHVSA-N 0 3 371.431 3.456 20 30 FGEDHN N#Cc1ccnc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000436028135 501059520 /nfs/dbraw/zinc/05/95/20/501059520.db2.gz OBGFTOXVHAYUPV-GOSISDBHSA-N 0 3 374.366 3.346 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1cc(C#N)oc1C)c1cccc(OC)c1 ZINC000436063400 501064239 /nfs/dbraw/zinc/06/42/39/501064239.db2.gz HLIJOIVNGQTFDN-LJQANCHMSA-N 0 3 355.438 3.281 20 30 FGEDHN CN1CCC[C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000450350726 501097791 /nfs/dbraw/zinc/09/77/91/501097791.db2.gz RWFWYUCRUTWOGT-CJNGLKHVSA-N 0 3 357.439 3.418 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cn(C)nc1C(F)(F)F)C(C)C ZINC000446340490 501107517 /nfs/dbraw/zinc/10/75/17/501107517.db2.gz JUTBRJSVODJAMZ-AWEZNQCLSA-N 0 3 373.423 3.259 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000588206826 506234682 /nfs/dbraw/zinc/23/46/82/506234682.db2.gz MZMLOKVSESYSQV-AEFFLSMTSA-N 0 3 366.868 3.370 20 30 FGEDHN C=CCC1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCC1 ZINC000449977316 501143305 /nfs/dbraw/zinc/14/33/05/501143305.db2.gz FSSIBVQLNRAIRI-UHFFFAOYSA-N 0 3 356.510 3.396 20 30 FGEDHN CC1CCC(N(CC(=O)NC2(C#N)CCCCC2)C[C@H]2CCCO2)CC1 ZINC000441468742 501144266 /nfs/dbraw/zinc/14/42/66/501144266.db2.gz UOSXAPKJGABQIH-CTWPCTMYSA-N 0 3 361.530 3.389 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C12CCCC2 ZINC000582467720 506238937 /nfs/dbraw/zinc/23/89/37/506238937.db2.gz LTBIGVKNKIYNIM-RRQGHBQHSA-N 0 3 359.470 3.423 20 30 FGEDHN C[C@@H](CCC#N)CN[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602638947 506240907 /nfs/dbraw/zinc/24/09/07/506240907.db2.gz YTZDHUUTQQLPFA-SWLSCSKDSA-N 0 3 350.260 3.084 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2c(C#N)nnc3ccccc32)C1 ZINC000450814068 501212778 /nfs/dbraw/zinc/21/27/78/501212778.db2.gz UJZJZLHEYLJGOV-KRWDZBQOSA-N 0 3 357.461 3.460 20 30 FGEDHN N#Cc1cc2cccnc2nc1NCC1(N2CCSCC2)CCCC1 ZINC000596072888 506241454 /nfs/dbraw/zinc/24/14/54/506241454.db2.gz AWVFEIBTBOLWIV-UHFFFAOYSA-N 0 3 353.495 3.275 20 30 FGEDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)N(C)C ZINC000451434912 501292883 /nfs/dbraw/zinc/29/28/83/501292883.db2.gz UEVLFRLCUZILIH-MRXNPFEDSA-N 0 3 371.934 3.051 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](OCC)[C@H](C)C1)C(C)C ZINC000457763022 501303868 /nfs/dbraw/zinc/30/38/68/501303868.db2.gz YWGFAUPZAFLXBL-GUDVDZBRSA-N 0 3 351.535 3.142 20 30 FGEDHN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453425671 501329325 /nfs/dbraw/zinc/32/93/25/501329325.db2.gz NZFOGLROHXVDHE-QFBILLFUSA-N 0 3 367.497 3.061 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000451594701 501332898 /nfs/dbraw/zinc/33/28/98/501332898.db2.gz BPYQXACPPUFDHN-QMMBQJITSA-N 0 3 357.281 3.492 20 30 FGEDHN OC[C@H]([C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CC1)C1CC1 ZINC000451604198 501335361 /nfs/dbraw/zinc/33/53/61/501335361.db2.gz KFKNUFYWXLDWBF-ZWKOTPCHSA-N 0 3 353.384 3.323 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000451607386 501336008 /nfs/dbraw/zinc/33/60/08/501336008.db2.gz PZNCBSUQYVMJDM-RZUBCFFCSA-N 0 3 368.452 3.307 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccco1 ZINC000451675602 501349064 /nfs/dbraw/zinc/34/90/64/501349064.db2.gz PYIANAIYIHHVQZ-KBXCAEBGSA-N 0 3 354.454 3.076 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000451680775 501349360 /nfs/dbraw/zinc/34/93/60/501349360.db2.gz KGACKMPRZLVXLI-AABGKKOBSA-N 0 3 358.482 3.072 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451695701 501353109 /nfs/dbraw/zinc/35/31/09/501353109.db2.gz NVXPKEBTIPKBTH-XWTMOSNGSA-N 0 3 362.539 3.134 20 30 FGEDHN CC(C)(C)CC(C)(C)N1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000451906869 501397941 /nfs/dbraw/zinc/39/79/41/501397941.db2.gz WBNQXFKQSBUDEN-UHFFFAOYSA-N 0 3 356.514 3.329 20 30 FGEDHN COC[C@@]1(CO)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451938804 501404557 /nfs/dbraw/zinc/40/45/57/501404557.db2.gz VWLVMZBOANVAQS-QFIPXVFZSA-N 0 3 364.489 3.217 20 30 FGEDHN COC[C@]1(CO)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451938801 501404733 /nfs/dbraw/zinc/40/47/33/501404733.db2.gz VWLVMZBOANVAQS-JOCHJYFZSA-N 0 3 364.489 3.217 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1F ZINC000458291574 501413153 /nfs/dbraw/zinc/41/31/53/501413153.db2.gz NTLWSMZXLUICFC-UHFFFAOYSA-N 0 3 367.424 3.308 20 30 FGEDHN C[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)N(C)C ZINC000454704768 501612182 /nfs/dbraw/zinc/61/21/82/501612182.db2.gz BRQXXTVURFLVJY-AWEZNQCLSA-N 0 3 370.428 3.348 20 30 FGEDHN COc1cc(F)cc(C[C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000457050881 501640819 /nfs/dbraw/zinc/64/08/19/501640819.db2.gz ADLCZPLUGGFPEK-KBXCAEBGSA-N 0 3 365.408 3.136 20 30 FGEDHN CC1(C)CCCN1CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000457068707 501644280 /nfs/dbraw/zinc/64/42/80/501644280.db2.gz DYWUMDKJAUMKOJ-UHFFFAOYSA-N 0 3 367.449 3.334 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000454902904 501652118 /nfs/dbraw/zinc/65/21/18/501652118.db2.gz OMWSTSTWZXDAOF-PMACEKPBSA-N 0 3 371.525 3.322 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000457113133 501652692 /nfs/dbraw/zinc/65/26/92/501652692.db2.gz JRLUFFYITGXOHG-QGZVFWFLSA-N 0 3 367.449 3.285 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000457212647 501666172 /nfs/dbraw/zinc/66/61/72/501666172.db2.gz UDNJXGBUEMLVNU-UHFFFAOYSA-N 0 3 351.450 3.207 20 30 FGEDHN CC#CCN(C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000455004833 501670249 /nfs/dbraw/zinc/67/02/49/501670249.db2.gz SPEMZRAOBPXMOA-LJQANCHMSA-N 0 3 365.481 3.126 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1C#N ZINC000459570209 501678724 /nfs/dbraw/zinc/67/87/24/501678724.db2.gz NRVFXUIXJNGXAZ-CQSZACIVSA-N 0 3 363.874 3.401 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CNC1(C2CCC2)CCC1 ZINC000459782139 501713280 /nfs/dbraw/zinc/71/32/80/501713280.db2.gz XRDADKBRIZBPCO-UHFFFAOYSA-N 0 3 372.513 3.264 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000460050236 501725599 /nfs/dbraw/zinc/72/55/99/501725599.db2.gz IJGJAKMYCJLWRZ-CJNGLKHVSA-N 0 3 354.841 3.172 20 30 FGEDHN COCC[C@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000467271437 501754423 /nfs/dbraw/zinc/75/44/23/501754423.db2.gz NVTNRRJUMHYHLA-RBUKOAKNSA-N 0 3 357.498 3.460 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485298954 501781118 /nfs/dbraw/zinc/78/11/18/501781118.db2.gz ATZPEVLVRZSXJO-UHFFFAOYSA-N 0 3 357.498 3.411 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000485470106 501830068 /nfs/dbraw/zinc/83/00/68/501830068.db2.gz XCSKRXCQYASSGQ-MJGOQNOKSA-N 0 3 373.566 3.063 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000485515919 501843626 /nfs/dbraw/zinc/84/36/26/501843626.db2.gz ONAIEIMZFDXVPA-OYNPSCLESA-N 0 3 356.510 3.479 20 30 FGEDHN CCCCO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000470986137 501884261 /nfs/dbraw/zinc/88/42/61/501884261.db2.gz SSZKWWAAVYMADY-IPMKNSEASA-N 0 3 353.466 3.341 20 30 FGEDHN Cc1nccn1CCCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471010404 501890651 /nfs/dbraw/zinc/89/06/51/501890651.db2.gz WALKGGSNARVVJS-IBGZPJMESA-N 0 3 357.889 3.118 20 30 FGEDHN CN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474631085 501901006 /nfs/dbraw/zinc/90/10/06/501901006.db2.gz LQBSLLCHJMCVTK-SFHVURJKSA-N 0 3 352.413 3.436 20 30 FGEDHN COc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000471054029 501904369 /nfs/dbraw/zinc/90/43/69/501904369.db2.gz XWOCUVKQWBFECP-QGZVFWFLSA-N 0 3 367.836 3.261 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000471062736 501906019 /nfs/dbraw/zinc/90/60/19/501906019.db2.gz TVGKNAWRLAHBQF-WMLDXEAASA-N 0 3 351.793 3.144 20 30 FGEDHN CC(C)(C)Oc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000471105205 501920581 /nfs/dbraw/zinc/92/05/81/501920581.db2.gz AUXFGQJXELVBDO-KRWDZBQOSA-N 0 3 362.433 3.129 20 30 FGEDHN C=CCCC1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000474771887 501947769 /nfs/dbraw/zinc/94/77/69/501947769.db2.gz DUTIDPYVOYQMPD-UHFFFAOYSA-N 0 3 355.526 3.057 20 30 FGEDHN N#CC(C(=O)c1ccc(-c2nc[nH]n2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464402420 501979041 /nfs/dbraw/zinc/97/90/41/501979041.db2.gz DWNNDPNCVLIFHC-ZDUSSCGKSA-N 0 3 357.295 3.376 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2cnnc2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464466660 501997995 /nfs/dbraw/zinc/99/79/95/501997995.db2.gz IRWBEGVWUCFKQZ-AWEZNQCLSA-N 0 3 357.295 3.171 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c(OC)c1 ZINC000478563310 502019644 /nfs/dbraw/zinc/01/96/44/502019644.db2.gz JZXZVRZALBRESA-IRXDYDNUSA-N 0 3 360.498 3.182 20 30 FGEDHN CN(CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000471856837 502155776 /nfs/dbraw/zinc/15/57/76/502155776.db2.gz AMZUTEVGBWTLOO-HXUWFJFHSA-N 0 3 360.461 3.273 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]1C#N)c1cccc(OC)c1 ZINC000461945500 502247887 /nfs/dbraw/zinc/24/78/87/502247887.db2.gz DNRUKHRYSIMODG-YTQUADARSA-N 0 3 358.486 3.070 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461955881 502252416 /nfs/dbraw/zinc/25/24/16/502252416.db2.gz IYAYOYZEWICYTE-SXLOBPIMSA-N 0 3 368.525 3.451 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCc2c1cccc2O)C(C)C ZINC000465538860 502296655 /nfs/dbraw/zinc/29/66/55/502296655.db2.gz GKVULELWZZRFPN-RBUKOAKNSA-N 0 3 357.498 3.377 20 30 FGEDHN N#Cc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)s1 ZINC000486908339 502300420 /nfs/dbraw/zinc/30/04/20/502300420.db2.gz MLUBHKFWDYBSGQ-UHFFFAOYSA-N 0 3 351.475 3.283 20 30 FGEDHN CCCN1CCN(c2ccc(NC(=O)CCCC#N)c(OCC)c2)CC1 ZINC000462312500 502388341 /nfs/dbraw/zinc/38/83/41/502388341.db2.gz KBNMWVYAXSMHDR-UHFFFAOYSA-N 0 3 358.486 3.250 20 30 FGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(OCCN(C)C)CC1 ZINC000476134566 502395350 /nfs/dbraw/zinc/39/53/50/502395350.db2.gz DPMBZOBIKNXJKH-UHFFFAOYSA-N 0 3 356.445 3.101 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000465870429 502409484 /nfs/dbraw/zinc/40/94/84/502409484.db2.gz ZEQMPPTXGTVOHB-UYAOXDASSA-N 0 3 357.498 3.104 20 30 FGEDHN C[C@@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000462536922 502478781 /nfs/dbraw/zinc/47/87/81/502478781.db2.gz GKKWVSPUFIOCOT-YLJYHZDGSA-N 0 3 362.477 3.037 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)C(C)C ZINC000487858826 502549609 /nfs/dbraw/zinc/54/96/09/502549609.db2.gz ZCQIBGVVJLDPEW-SOLBZPMBSA-N 0 3 355.473 3.372 20 30 FGEDHN C=CCN1CCC(Nc2c(C(=O)OCC)cnc3ccc(C)cc32)CC1 ZINC000462827032 502590318 /nfs/dbraw/zinc/59/03/18/502590318.db2.gz SCZPBBYOWGZNFV-UHFFFAOYSA-N 0 3 353.466 3.204 20 30 FGEDHN C=CCCO[C@H](C)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000473496149 502611210 /nfs/dbraw/zinc/61/12/10/502611210.db2.gz MMCPADGSYHLHBH-DENIHFKCSA-N 0 3 356.510 3.482 20 30 FGEDHN CN(CCCNC(=O)NC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000477006723 502648366 /nfs/dbraw/zinc/64/83/66/502648366.db2.gz AUBVDMFEMYISDQ-UHFFFAOYSA-N 0 3 362.477 3.369 20 30 FGEDHN C=CCn1cccc1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000488405939 502705587 /nfs/dbraw/zinc/70/55/87/502705587.db2.gz KCBBMASUFICRQY-UHFFFAOYSA-N 0 3 352.482 3.377 20 30 FGEDHN C=CCn1cccc1C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000488477716 502725937 /nfs/dbraw/zinc/72/59/37/502725937.db2.gz AMBFXXWIZMGAGP-UHFFFAOYSA-N 0 3 352.482 3.064 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000477459709 502779210 /nfs/dbraw/zinc/77/92/10/502779210.db2.gz ZXOVYKVSGFKLAD-LJQANCHMSA-N 0 3 357.479 3.072 20 30 FGEDHN CCN1[C@H](C)CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C ZINC000602874862 506334251 /nfs/dbraw/zinc/33/42/51/506334251.db2.gz UUNRVWMPXDCLPQ-ZACQAIPSSA-N 0 3 374.554 3.291 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@](C)(OC)CC1)C(C)C ZINC000474063270 502795357 /nfs/dbraw/zinc/79/53/57/502795357.db2.gz WNHBPWVSUULQCV-ICSRJNTNSA-N 0 3 351.535 3.286 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(-c2ccc(C)cc2)nn1)C(C)C ZINC000513015741 502831665 /nfs/dbraw/zinc/83/16/65/502831665.db2.gz ZJHKEDNRRCNDIS-FQEVSTJZSA-N 0 3 367.497 3.004 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000489199561 502899790 /nfs/dbraw/zinc/89/97/90/502899790.db2.gz KCBUNGYCKYKYLJ-MSOLQXFVSA-N 0 3 351.535 3.310 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1C#N ZINC000505701134 502969373 /nfs/dbraw/zinc/96/93/73/502969373.db2.gz MYPPALGOZKBBFB-FQEVSTJZSA-N 0 3 370.522 3.110 20 30 FGEDHN COCC1(C#N)CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000501315637 502983047 /nfs/dbraw/zinc/98/30/47/502983047.db2.gz WDERVTPMYNMDLY-UHFFFAOYSA-N 0 3 369.509 3.067 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccnc(OCc3ccccc3)c2)CC1 ZINC000505883337 503004994 /nfs/dbraw/zinc/00/49/94/503004994.db2.gz QTNKLUMWPICAKK-UHFFFAOYSA-N 0 3 366.465 3.433 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513725985 503011084 /nfs/dbraw/zinc/01/10/84/503011084.db2.gz VRIGRIRTNCRXPT-MDASCCDHSA-N 0 3 364.436 3.443 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)Cc2c(F)cccc2C#N)N(C)C)cc1 ZINC000506029592 503032931 /nfs/dbraw/zinc/03/29/31/503032931.db2.gz DSHMNWGMTMHILO-HXUWFJFHSA-N 0 3 353.441 3.221 20 30 FGEDHN CCCCN1CCCC[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000506183584 503065478 /nfs/dbraw/zinc/06/54/78/503065478.db2.gz RONQGDGCLUYIMP-JXFKEZNVSA-N 0 3 365.518 3.019 20 30 FGEDHN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C(C)C#N)CC2 ZINC000510337446 503094440 /nfs/dbraw/zinc/09/44/40/503094440.db2.gz ZOYNTTPOSXLJPW-XOBRGWDASA-N 0 3 350.418 3.338 20 30 FGEDHN COc1cc(C)c(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)n1 ZINC000514229803 503119778 /nfs/dbraw/zinc/11/97/78/503119778.db2.gz FPJZNLXUESGNME-QGZVFWFLSA-N 0 3 368.456 3.476 20 30 FGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N(CC)CC ZINC000506523774 503131066 /nfs/dbraw/zinc/13/10/66/503131066.db2.gz HKINNCYYXMFAIK-GJZGRUSLSA-N 0 3 352.276 3.250 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000506639299 503148004 /nfs/dbraw/zinc/14/80/04/503148004.db2.gz IUVBIJUZGRSRFP-OAQYLSRUSA-N 0 3 361.445 3.408 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nc2n[nH]c(C)c21)C(C)C ZINC000498366784 503170685 /nfs/dbraw/zinc/17/06/85/503170685.db2.gz INZQUCTZIYFWOE-QGZVFWFLSA-N 0 3 355.486 3.003 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510944446 503223305 /nfs/dbraw/zinc/22/33/05/503223305.db2.gz GAGOXZLKUSCBND-HIFRSBDPSA-N 0 3 353.388 3.400 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502566890 503227467 /nfs/dbraw/zinc/22/74/67/503227467.db2.gz SXBCNLWKHKOZKD-TZMCWYRMSA-N 0 3 357.788 3.290 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1 ZINC000502597259 503235593 /nfs/dbraw/zinc/23/55/93/503235593.db2.gz SRXFQIDHAQQUDG-HZPDHXFCSA-N 0 3 351.397 3.073 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1C ZINC000498922841 503294230 /nfs/dbraw/zinc/29/42/30/503294230.db2.gz FEUWHWSGGYJHRT-IKGGRYGDSA-N 0 3 374.554 3.434 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000507536029 503317004 /nfs/dbraw/zinc/31/70/04/503317004.db2.gz QKIKFHCVOLRICG-CRAIPNDOSA-N 0 3 351.425 3.192 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NCC#Cc2cccc(F)c2)N(C)C)cc1 ZINC000511471518 503327552 /nfs/dbraw/zinc/32/75/52/503327552.db2.gz BRIZQTURCVZPDG-FQEVSTJZSA-N 0 3 353.441 3.088 20 30 FGEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000515415062 503334188 /nfs/dbraw/zinc/33/41/88/503334188.db2.gz OHHONASHWSSZFK-MJGOQNOKSA-N 0 3 353.466 3.336 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(c2ccccc2C)CCCCC1 ZINC000507864566 503383129 /nfs/dbraw/zinc/38/31/29/503383129.db2.gz OJOKDJHJHABHTF-KRWDZBQOSA-N 0 3 357.498 3.187 20 30 FGEDHN C=CCN(CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc(OC)cc1 ZINC000515779472 503400421 /nfs/dbraw/zinc/40/04/21/503400421.db2.gz UZNNZAPYSKEJIW-UHFFFAOYSA-N 0 3 367.449 3.422 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(F)cc2nccnc21)C(C)C ZINC000493096975 503405987 /nfs/dbraw/zinc/40/59/87/503405987.db2.gz MGSIWZULUYQBOO-GOSISDBHSA-N 0 3 356.445 3.197 20 30 FGEDHN CNc1ccc(Cl)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000599198626 506369617 /nfs/dbraw/zinc/36/96/17/506369617.db2.gz ODWLQZPZNWKLSP-UHFFFAOYSA-N 0 3 370.884 3.457 20 30 FGEDHN CN(CCN(C)S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000503479724 503418385 /nfs/dbraw/zinc/41/83/85/503418385.db2.gz SODSCGPDYWSQHV-UHFFFAOYSA-N 0 3 369.918 3.097 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000499677175 503455618 /nfs/dbraw/zinc/45/56/18/503455618.db2.gz AROSTFGGZSYGGI-KRWDZBQOSA-N 0 3 374.554 3.351 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599207385 506373260 /nfs/dbraw/zinc/37/32/60/506373260.db2.gz UOIPQZQNXMXYMV-FQEVSTJZSA-N 0 3 354.498 3.497 20 30 FGEDHN CCN(C(=O)Cc1noc(C)c1C#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000499773730 503479133 /nfs/dbraw/zinc/47/91/33/503479133.db2.gz ANOCTMFNUYZEQH-MAUKXSAKSA-N 0 3 366.465 3.081 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H]2CSC[C@H]2C)c1C#N ZINC000512182416 503479454 /nfs/dbraw/zinc/47/94/54/503479454.db2.gz RWMIEEHGILIIEP-FZKQIMNGSA-N 0 3 368.506 3.245 20 30 FGEDHN CN1C(=O)C[C@@H](NCCOc2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000494205851 503503007 /nfs/dbraw/zinc/50/30/07/503503007.db2.gz SPHJOWJYZCQKAW-YLJYHZDGSA-N 0 3 369.852 3.152 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000508498061 503506132 /nfs/dbraw/zinc/50/61/32/503506132.db2.gz PKEDCWPDOVVZOS-IBGZPJMESA-N 0 3 372.513 3.031 20 30 FGEDHN CC(C)(C#N)CNC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000512444858 503554260 /nfs/dbraw/zinc/55/42/60/503554260.db2.gz SWFPGLNCNJNTRF-UHFFFAOYSA-N 0 3 363.889 3.286 20 30 FGEDHN C[C@H]1C[C@@H]1c1noc(CC2CCN(CCOc3ccccc3C#N)CC2)n1 ZINC000593077624 506378888 /nfs/dbraw/zinc/37/88/88/506378888.db2.gz NILQYLIJWPUCAZ-YJBOKZPZSA-N 0 3 366.465 3.398 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000516688350 503568927 /nfs/dbraw/zinc/56/89/27/503568927.db2.gz CRNUHIPEAMSFCI-JOCHJYFZSA-N 0 3 361.445 3.357 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(C(F)(F)F)c1 ZINC000516689873 503569903 /nfs/dbraw/zinc/56/99/03/503569903.db2.gz LPFCLKMWRJPUAJ-RDJZCZTQSA-N 0 3 368.399 3.234 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000504551552 503587412 /nfs/dbraw/zinc/58/74/12/503587412.db2.gz DVXACYVGABODSR-UHFFFAOYSA-N 0 3 351.425 3.021 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000494668286 503588660 /nfs/dbraw/zinc/58/86/60/503588660.db2.gz QWIZFBILMNMRPF-OAQYLSRUSA-N 0 3 370.541 3.074 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3cccc4c[nH]nc43)CC2)c1 ZINC000512648771 503602845 /nfs/dbraw/zinc/60/28/45/503602845.db2.gz QFQFVSRNCSXWQD-UHFFFAOYSA-N 0 3 359.433 3.285 20 30 FGEDHN C=CCCCCCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000516876061 503606458 /nfs/dbraw/zinc/60/64/58/503606458.db2.gz LOZRCCOGOOWTAR-UHFFFAOYSA-N 0 3 359.514 3.189 20 30 FGEDHN CCN(CCN1CCCCCC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000516932509 503622592 /nfs/dbraw/zinc/62/25/92/503622592.db2.gz RJIPJTHURDHLRR-UHFFFAOYSA-N 0 3 362.905 3.348 20 30 FGEDHN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(CCC#N)CCCN(C)C ZINC000500499193 503637065 /nfs/dbraw/zinc/63/70/65/503637065.db2.gz IDRKOYQKCDRFNV-UHFFFAOYSA-N 0 3 369.465 3.180 20 30 FGEDHN COc1cc([O-])c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1OC ZINC000529680466 503652555 /nfs/dbraw/zinc/65/25/55/503652555.db2.gz UWKMMDIAMDUUEE-UHFFFAOYSA-N 0 3 368.433 3.077 20 30 FGEDHN COc1cc(O)c(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1OC ZINC000529680466 503652561 /nfs/dbraw/zinc/65/25/61/503652561.db2.gz UWKMMDIAMDUUEE-UHFFFAOYSA-N 0 3 368.433 3.077 20 30 FGEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1OC ZINC000529720789 503680030 /nfs/dbraw/zinc/68/00/30/503680030.db2.gz UYQKHVFTQJBDRN-GOSISDBHSA-N 0 3 358.482 3.397 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC000536745798 503708637 /nfs/dbraw/zinc/70/86/37/503708637.db2.gz KPRLOXFYLDRHPA-GUDVDZBRSA-N 0 3 351.535 3.188 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H]3COCC[C@H]32)sc2c1CCCC2 ZINC000533346146 503813279 /nfs/dbraw/zinc/81/32/79/503813279.db2.gz MTLDLTPENQOMFK-RHSMWYFYSA-N 0 3 373.522 3.328 20 30 FGEDHN C[C@@](O)(C1CCN(CCCOc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000546637969 503818048 /nfs/dbraw/zinc/81/80/48/503818048.db2.gz UOCZBLZYDWJVTJ-QGZVFWFLSA-N 0 3 356.388 3.352 20 30 FGEDHN C[C@@]1(NC(=O)Cc2c(F)cccc2C#N)CCN(Cc2ccccc2)C1 ZINC000517747694 503824676 /nfs/dbraw/zinc/82/46/76/503824676.db2.gz CSWSJUHDHUYZQL-OAQYLSRUSA-N 0 3 351.425 3.021 20 30 FGEDHN C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000540607115 503832218 /nfs/dbraw/zinc/83/22/18/503832218.db2.gz OIPNCSPCOXIKGI-FOPRYUNUSA-N 0 3 355.388 3.459 20 30 FGEDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540708362 503863206 /nfs/dbraw/zinc/86/32/06/503863206.db2.gz VNTSDVQEUOXVSD-KBPBESRZSA-N 0 3 350.397 3.147 20 30 FGEDHN COc1cc2c(cc1CNCCSCc1ccccc1C#N)OCO2 ZINC000546781869 503877080 /nfs/dbraw/zinc/87/70/80/503877080.db2.gz MKEIHQIYZFXBKF-UHFFFAOYSA-N 0 3 356.447 3.319 20 30 FGEDHN C=C(C)CN(CC)C(=O)C(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000517982801 503882010 /nfs/dbraw/zinc/88/20/10/503882010.db2.gz NSVMVZXBEDVPIU-GOSISDBHSA-N 0 3 371.525 3.191 20 30 FGEDHN CN(C)C1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)Cc2ccccc2C1 ZINC000537454933 503919527 /nfs/dbraw/zinc/91/95/27/503919527.db2.gz ZHWSYCAJKKUSEJ-UHFFFAOYSA-N 0 3 359.473 3.071 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000543906155 503937078 /nfs/dbraw/zinc/93/70/78/503937078.db2.gz WXFXSBJAGAIREU-MCFWBGNESA-N 0 3 361.492 3.037 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3nc4ccccc4n3C(F)F)n2c1 ZINC000537507864 503937880 /nfs/dbraw/zinc/93/78/80/503937880.db2.gz YFSSOVZOUXKJBZ-UHFFFAOYSA-N 0 3 366.375 3.283 20 30 FGEDHN Cc1ccc2nc(CN[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cn2c1 ZINC000518386094 503970487 /nfs/dbraw/zinc/97/04/87/503970487.db2.gz DGSJUDYGLRPYOI-QGZVFWFLSA-N 0 3 363.440 3.412 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](CO)C2CCCCC2)c1C ZINC000541055388 503988183 /nfs/dbraw/zinc/98/81/83/503988183.db2.gz YKMLLMSYCOGAGI-IBGZPJMESA-N 0 3 357.498 3.081 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000518519595 504007580 /nfs/dbraw/zinc/00/75/80/504007580.db2.gz YSQSEGGAGYQJQC-FOIQADDNSA-N 0 3 358.388 3.243 20 30 FGEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CC=CCC1 ZINC000544115891 504012655 /nfs/dbraw/zinc/01/26/55/504012655.db2.gz YSZKXARMHPSHKL-KRWDZBQOSA-N 0 3 364.411 3.461 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC000528032937 504046734 /nfs/dbraw/zinc/04/67/34/504046734.db2.gz OGWJFQRVKWDTCI-LJQANCHMSA-N 0 3 367.880 3.442 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CN1Cc1ccccc1 ZINC000518889948 504086422 /nfs/dbraw/zinc/08/64/22/504086422.db2.gz MDKCSMSXHQUIEX-KMEYYKJISA-N 0 3 354.498 3.279 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000518937323 504097857 /nfs/dbraw/zinc/09/78/57/504097857.db2.gz DZNSQSZRVSLGMC-HXUWFJFHSA-N 0 3 365.477 3.175 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C)(COC)CC1 ZINC000537996395 504105815 /nfs/dbraw/zinc/10/58/15/504105815.db2.gz XIRLUQXRRRDPTB-INIZCTEOSA-N 0 3 350.528 3.400 20 30 FGEDHN N#Cc1cccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000530909573 504127430 /nfs/dbraw/zinc/12/74/30/504127430.db2.gz KRNJPGGJPOCXBO-UHFFFAOYSA-N 0 3 353.491 3.191 20 30 FGEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000538122369 504136062 /nfs/dbraw/zinc/13/60/62/504136062.db2.gz AFYSMUBJGSQBOJ-QGZVFWFLSA-N 0 3 366.465 3.073 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000530939622 504136894 /nfs/dbraw/zinc/13/68/94/504136894.db2.gz HGNJSPOLCZMIAX-CALCHBBNSA-N 0 3 359.489 3.409 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC)OCC ZINC000534423410 504138067 /nfs/dbraw/zinc/13/80/67/504138067.db2.gz YYMRDEGXNCAJBP-WOJBJXKFSA-N 0 3 359.514 3.266 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CN1C1CC1 ZINC000531006609 504159745 /nfs/dbraw/zinc/15/97/45/504159745.db2.gz FUAAGJXQLHICBN-LQJIQPLVSA-N 0 3 352.482 3.093 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000538257494 504179178 /nfs/dbraw/zinc/17/91/78/504179178.db2.gz DWWZBEKUCTZZNA-HKUYNNGSSA-N 0 3 365.477 3.429 20 30 FGEDHN COc1ccccc1[C@H]1CCCN1C[C@H](O)COc1ccccc1C#N ZINC000528370168 504192094 /nfs/dbraw/zinc/19/20/94/504192094.db2.gz AIZJNNBQGQFSCK-PKOBYXMFSA-N 0 3 352.434 3.144 20 30 FGEDHN CC1CCC(OC2CCN(C[C@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000528379246 504197688 /nfs/dbraw/zinc/19/76/88/504197688.db2.gz JIIJZKNUBFLAOF-SYYJFZTOSA-N 0 3 372.509 3.358 20 30 FGEDHN C=C[C@H](CC(=O)Nc1cnccc1N1CCN(C)CC1)c1ccccc1 ZINC000534645195 504201892 /nfs/dbraw/zinc/20/18/92/504201892.db2.gz RDNFMAWOUJFKDK-QGZVFWFLSA-N 0 3 350.466 3.132 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(OCC2CCCCC2)CC1 ZINC000528390051 504202149 /nfs/dbraw/zinc/20/21/49/504202149.db2.gz NIYALXNMWACZST-HXUWFJFHSA-N 0 3 372.509 3.359 20 30 FGEDHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1ccccc1C#N)CCC2 ZINC000528425147 504218394 /nfs/dbraw/zinc/21/83/94/504218394.db2.gz MRMNWEUXKCKQRO-DOTOQJQBSA-N 0 3 371.506 3.326 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)CC1 ZINC000528446645 504228829 /nfs/dbraw/zinc/22/88/29/504228829.db2.gz BYUXIVUXMLRNJN-KRWDZBQOSA-N 0 3 350.409 3.243 20 30 FGEDHN COc1cccc([C@H](CNC(=O)Cc2cccc(C#N)c2)N2CCCC2)c1 ZINC000531396781 504292877 /nfs/dbraw/zinc/29/28/77/504292877.db2.gz SYNRWLGSKZAUDS-NRFANRHFSA-N 0 3 363.461 3.063 20 30 FGEDHN COC[C@@](C)(CCO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000531410157 504297089 /nfs/dbraw/zinc/29/70/89/504297089.db2.gz ZPYQCELUCKYMPO-OAQYLSRUSA-N 0 3 354.450 3.014 20 30 FGEDHN C=CCOc1c(Br)cc(CNC(C)(C)[C@@H](C)O)cc1OC ZINC000534970989 504297773 /nfs/dbraw/zinc/29/77/73/504297773.db2.gz LKMWAPVMVACJSJ-LLVKDONJSA-N 0 3 358.276 3.272 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C2CC(O)C2)cc1OCC ZINC000544927387 504301616 /nfs/dbraw/zinc/30/16/16/504301616.db2.gz AFIDRXCIXWBSCX-UHFFFAOYSA-N 0 3 370.287 3.368 20 30 FGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000535282890 504391892 /nfs/dbraw/zinc/39/18/92/504391892.db2.gz DOKGQPNLGGNOMK-GXFFZTMASA-N 0 3 354.191 3.114 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2cc(Br)ccc2F)CC1 ZINC000535389063 504421257 /nfs/dbraw/zinc/42/12/57/504421257.db2.gz GCXWJHMRPBXRCN-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000548420005 504439261 /nfs/dbraw/zinc/43/92/61/504439261.db2.gz XHXUAVDZLPAMQY-KXBFYZLASA-N 0 3 351.425 3.480 20 30 FGEDHN COc1ccc(CC(=O)C(C#N)c2nc(C)cs2)cc1OC(F)F ZINC000528909217 504444662 /nfs/dbraw/zinc/44/46/62/504444662.db2.gz MYDTZEIIEJKHLU-NSHDSACASA-N 0 3 352.362 3.481 20 30 FGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528915060 504448238 /nfs/dbraw/zinc/44/82/38/504448238.db2.gz DEGMOYIJUZAUJB-FHWLQOOXSA-N 0 3 350.393 3.345 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000520461614 504505116 /nfs/dbraw/zinc/50/51/16/504505116.db2.gz NDWGDSATGBETJN-ROUUACIJSA-N 0 3 353.514 3.282 20 30 FGEDHN COC[C@@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(C)C ZINC000542524489 504524811 /nfs/dbraw/zinc/52/48/11/504524811.db2.gz DOHFGHKTHDJRAG-QGZVFWFLSA-N 0 3 351.878 3.156 20 30 FGEDHN COC(=O)C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000542531980 504529655 /nfs/dbraw/zinc/52/96/55/504529655.db2.gz NBHQCLRENDDCRS-LJQANCHMSA-N 0 3 371.481 3.035 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000539337749 504534290 /nfs/dbraw/zinc/53/42/90/504534290.db2.gz VFTUHEWEKZONBH-FUHWJXTLSA-N 0 3 351.450 3.212 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000520632142 504545714 /nfs/dbraw/zinc/54/57/14/504545714.db2.gz IENKXTFJPSLNTG-HXUWFJFHSA-N 0 3 353.466 3.354 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000539377070 504546665 /nfs/dbraw/zinc/54/66/65/504546665.db2.gz IHSNGJFIIRUKTA-LLGFUMIMSA-N 0 3 356.514 3.380 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000545901235 504630975 /nfs/dbraw/zinc/63/09/75/504630975.db2.gz BVEFIAUXLSGPOK-IFXJQAMLSA-N 0 3 353.853 3.462 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000546002601 504670849 /nfs/dbraw/zinc/67/08/49/504670849.db2.gz MDNPKFBZKAMISS-BEFAXECRSA-N 0 3 364.449 3.209 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC000549272799 504779528 /nfs/dbraw/zinc/77/95/28/504779528.db2.gz MPWRFUQLWLJLCU-UHFFFAOYSA-N 0 3 364.497 3.171 20 30 FGEDHN C=CCOCCN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000559149964 504792727 /nfs/dbraw/zinc/79/27/27/504792727.db2.gz PKTZRSDRCYTWFW-KRWDZBQOSA-N 0 3 354.454 3.044 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000553010797 504804602 /nfs/dbraw/zinc/80/46/02/504804602.db2.gz ZYBRPEUCRBKROA-RTBURBONSA-N 0 3 366.461 3.240 20 30 FGEDHN COC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c(C#N)n1 ZINC000565229626 504830450 /nfs/dbraw/zinc/83/04/50/504830450.db2.gz NCRNAWZMCPUYHG-WBVHZDCISA-N 0 3 364.449 3.062 20 30 FGEDHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562711985 504918748 /nfs/dbraw/zinc/91/87/48/504918748.db2.gz XHNWOBUGDGNGGO-MLGOLLRUSA-N 0 3 361.511 3.373 20 30 FGEDHN N#Cc1ccccc1N1CCCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000559793733 504929242 /nfs/dbraw/zinc/92/92/42/504929242.db2.gz QDOJYAQMBOSBFM-QFIPXVFZSA-N 0 3 360.505 3.345 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000565651752 504949646 /nfs/dbraw/zinc/94/96/46/504949646.db2.gz OGIKTFVVHKJGLO-AFMDSPMNSA-N 0 3 369.490 3.095 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000565674255 504955296 /nfs/dbraw/zinc/95/52/96/504955296.db2.gz JDMQKBCKQAGORD-MEZWHVQBSA-N 0 3 369.509 3.150 20 30 FGEDHN CC[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1cccc(C)c1 ZINC000562989750 505012469 /nfs/dbraw/zinc/01/24/69/505012469.db2.gz RKGDODFTNPRRNT-SFHVURJKSA-N 0 3 372.490 3.088 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000565907839 505023533 /nfs/dbraw/zinc/02/35/33/505023533.db2.gz CSDWXGOGKQDYIU-VSKRKVRLSA-N 0 3 359.473 3.443 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCCSc2ccc(Cl)cc2)cc1 ZINC000553846437 505024130 /nfs/dbraw/zinc/02/41/30/505024130.db2.gz QYPXOFUZFRMHOQ-MRXNPFEDSA-N 0 3 362.882 3.333 20 30 FGEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000560483896 505099903 /nfs/dbraw/zinc/09/99/03/505099903.db2.gz SICJVMANIYYFTA-QGZVFWFLSA-N 0 3 350.528 3.320 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000560483087 505099944 /nfs/dbraw/zinc/09/99/44/505099944.db2.gz OXWOPQZRYNHTBQ-IRXDYDNUSA-N 0 3 350.528 3.318 20 30 FGEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000554209855 505115921 /nfs/dbraw/zinc/11/59/21/505115921.db2.gz LGVJFPUJONMUTD-HXUWFJFHSA-N 0 3 369.896 3.327 20 30 FGEDHN C=CCOc1ccc(CNCc2cccc(OCC(=O)NC)c2)cc1Cl ZINC000551002426 505140465 /nfs/dbraw/zinc/14/04/65/505140465.db2.gz CUOLPOSTRPAGGO-UHFFFAOYSA-N 0 3 374.868 3.319 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000551067012 505152140 /nfs/dbraw/zinc/15/21/40/505152140.db2.gz ZDFCAKMQXSBGPP-UHFFFAOYSA-N 0 3 371.506 3.264 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000563485376 505153020 /nfs/dbraw/zinc/15/30/20/505153020.db2.gz SEDHHUQQOVIASI-IBGZPJMESA-N 0 3 364.497 3.169 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000557517262 505154673 /nfs/dbraw/zinc/15/46/73/505154673.db2.gz HQWOIWKWEBNQSB-JLTOFOAXSA-N 0 3 369.490 3.195 20 30 FGEDHN C[C@@H]1CN(CCCCNc2nc3cc(Cl)ccn3c2C#N)C[C@@H](C)O1 ZINC000557607773 505181510 /nfs/dbraw/zinc/18/15/10/505181510.db2.gz VXKBOHWXQOFPLX-ZIAGYGMSSA-N 0 3 361.877 3.161 20 30 FGEDHN Cc1nsc(NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)c1C#N ZINC000563604804 505190467 /nfs/dbraw/zinc/19/04/67/505190467.db2.gz UUWPVNPMFQQOLF-UHFFFAOYSA-N 0 3 369.494 3.499 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000560854062 505201650 /nfs/dbraw/zinc/20/16/50/505201650.db2.gz AEISVMVZSGJTOF-UHFFFAOYSA-N 0 3 365.477 3.431 20 30 FGEDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)cc1OC ZINC000551417341 505221790 /nfs/dbraw/zinc/22/17/90/505221790.db2.gz AJSWTPQOHYWYBD-KXBFYZLASA-N 0 3 352.434 3.077 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NCCc3ccc(F)cc3Cl)C2=O)cc1 ZINC000563791176 505239667 /nfs/dbraw/zinc/23/96/67/505239667.db2.gz QHJJMYBOTJSYBS-IBGZPJMESA-N 0 3 371.843 3.284 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCC#Cc2ccccc2)[C@H](C(F)(F)F)C1 ZINC000561101839 505250831 /nfs/dbraw/zinc/25/08/31/505250831.db2.gz QJAZBDUACZHRSA-HZPDHXFCSA-N 0 3 352.400 3.063 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C(=O)OC)cc1Br ZINC000551584006 505260562 /nfs/dbraw/zinc/26/05/62/505260562.db2.gz RSKWDVXPMMEUIM-ZBFHGGJFSA-N 0 3 368.271 3.307 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CC(=O)N(c3c(F)cccc3F)C1)CC2 ZINC000566766785 505266898 /nfs/dbraw/zinc/26/68/98/505266898.db2.gz FXKAVFMIGRTVMD-KSSFIOAISA-N 0 3 353.372 3.219 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000554875487 505286991 /nfs/dbraw/zinc/28/69/91/505286991.db2.gz DSTRUAUQBSEEKR-UHFFFAOYSA-N 0 3 360.461 3.376 20 30 FGEDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cc(C#N)ccc1OC ZINC000551751169 505298506 /nfs/dbraw/zinc/29/85/06/505298506.db2.gz ZOWQVSYNFTZBRE-BEFAXECRSA-N 0 3 352.434 3.077 20 30 FGEDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1(c2cccc(C#N)c2)CC1 ZINC000551814003 505316842 /nfs/dbraw/zinc/31/68/42/505316842.db2.gz QJSFQAGUGMJLOX-CQSZACIVSA-N 0 3 364.405 3.462 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000555144159 505362818 /nfs/dbraw/zinc/36/28/18/505362818.db2.gz FGYRJMKJCFTJLO-HZPDHXFCSA-N 0 3 372.469 3.182 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccco1 ZINC000561611069 505390729 /nfs/dbraw/zinc/39/07/29/505390729.db2.gz RICAPLFUVIRNOY-ZYSHUDEJSA-N 0 3 364.449 3.079 20 30 FGEDHN CNC(=O)COc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000552086653 505395393 /nfs/dbraw/zinc/39/53/93/505395393.db2.gz MEMAJBQFCCSCRT-NRFANRHFSA-N 0 3 363.461 3.240 20 30 FGEDHN CC(C)(C)C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000561779043 505435268 /nfs/dbraw/zinc/43/52/68/505435268.db2.gz MRFOELSNJJKRDF-GOSISDBHSA-N 0 3 371.506 3.494 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000552258779 505443251 /nfs/dbraw/zinc/44/32/51/505443251.db2.gz XTLNOGBXRNJKMV-SIUJGLRJSA-N 0 3 371.525 3.370 20 30 FGEDHN N#C[C@]1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC12CCCC2 ZINC000567455641 505469109 /nfs/dbraw/zinc/46/91/09/505469109.db2.gz XICCEBQXUNMWHM-JMLCCBQJSA-N 0 3 369.431 3.382 20 30 FGEDHN CCn1c(C(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000564614438 505470342 /nfs/dbraw/zinc/47/03/42/505470342.db2.gz NNRFBCDFIIGXCV-UHFFFAOYSA-N 0 3 352.486 3.005 20 30 FGEDHN CN1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000552399582 505482552 /nfs/dbraw/zinc/48/25/52/505482552.db2.gz QGRBZRMAZMHSRN-WOJBJXKFSA-N 0 3 363.436 3.291 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000555785316 505513703 /nfs/dbraw/zinc/51/37/03/505513703.db2.gz FLGDPINAIFZLAL-UHFFFAOYSA-N 0 3 364.493 3.348 20 30 FGEDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000567686282 505536583 /nfs/dbraw/zinc/53/65/83/505536583.db2.gz TZCATEKBOGLPIK-HNNXBMFYSA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558973246 505541831 /nfs/dbraw/zinc/54/18/31/505541831.db2.gz OYTUAGUBXQHOJK-KBXCAEBGSA-N 0 3 371.868 3.398 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(CC#N)cc1 ZINC000564898809 505553288 /nfs/dbraw/zinc/55/32/88/505553288.db2.gz CYGBPMYQUZLRLM-UHFFFAOYSA-N 0 3 356.495 3.088 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(c4cccc(F)c4F)CCCC3)cnc12 ZINC000564987430 505565662 /nfs/dbraw/zinc/56/56/62/505565662.db2.gz VZSTUYBSFNKZOX-UHFFFAOYSA-N 0 3 367.403 3.481 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1cccs1 ZINC000596391487 506384371 /nfs/dbraw/zinc/38/43/71/506384371.db2.gz GRBBMTIKSFGVFG-NUJGCVRESA-N 0 3 360.527 3.466 20 30 FGEDHN COc1cc(CN(C)[C@@H](C)CCO)ccc1OCc1cccc(C#N)c1 ZINC000593107346 506396584 /nfs/dbraw/zinc/39/65/84/506396584.db2.gz CUVOBXMIYYOZSO-INIZCTEOSA-N 0 3 354.450 3.349 20 30 FGEDHN N#Cc1cc2c(nc1NCc1ccc(CN3CC[C@H](O)C3)cc1)CCCC2 ZINC000596425512 506401117 /nfs/dbraw/zinc/40/11/17/506401117.db2.gz ZHKRKBMUMBEPIH-FQEVSTJZSA-N 0 3 362.477 3.011 20 30 FGEDHN N#Cc1ccc2nc(NCC3CCN(Cc4ccncc4)CC3)ccc2c1 ZINC000596441867 506405713 /nfs/dbraw/zinc/40/57/13/506405713.db2.gz RJDFRHXNSBPRBB-UHFFFAOYSA-N 0 3 357.461 3.247 20 30 FGEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccccc1C#N ZINC000599348388 506423264 /nfs/dbraw/zinc/42/32/64/506423264.db2.gz KAPQWXPBBJEFKY-SJLPKXTDSA-N 0 3 354.450 3.436 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(OC(F)F)cc1 ZINC000599351546 506424732 /nfs/dbraw/zinc/42/47/32/506424732.db2.gz ZUIDSZGLLHGJSY-XJKSGUPXSA-N 0 3 362.376 3.250 20 30 FGEDHN COC(=O)[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593184059 506446835 /nfs/dbraw/zinc/44/68/35/506446835.db2.gz UFELDWYBBHQUJH-OAQYLSRUSA-N 0 3 363.461 3.027 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)c1 ZINC000599431742 506454690 /nfs/dbraw/zinc/45/46/90/506454690.db2.gz BBNLYSAVRJYUBI-UHFFFAOYSA-N 0 3 352.438 3.077 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)cc1 ZINC000593195396 506455453 /nfs/dbraw/zinc/45/54/53/506455453.db2.gz CPGGJLFHIHQIEY-DVOMOZLQSA-N 0 3 363.483 3.319 20 30 FGEDHN CN(CCCN(C)c1ncc(Br)cc1C#N)Cc1ccncc1 ZINC000603400037 506502541 /nfs/dbraw/zinc/50/25/41/506502541.db2.gz IICZTDTZNCYMHU-UHFFFAOYSA-N 0 3 374.286 3.069 20 30 FGEDHN COCc1cc(C#N)ccc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000603398088 506502631 /nfs/dbraw/zinc/50/26/31/506502631.db2.gz XFVNRLYMDDEMBS-UHFFFAOYSA-N 0 3 365.477 3.144 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)c3nccc(C#N)c3[N+](=O)[O-])C2)s1 ZINC000603403749 506505064 /nfs/dbraw/zinc/50/50/64/506505064.db2.gz XZVOLXVWNKMTFP-AWEZNQCLSA-N 0 3 371.466 3.190 20 30 FGEDHN C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000612368925 506547393 /nfs/dbraw/zinc/54/73/93/506547393.db2.gz OVLSPEKIWNPWIX-AVRDEDQJSA-N 0 3 353.510 3.482 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)CCN1Cc1ccccc1 ZINC000593405590 506603916 /nfs/dbraw/zinc/60/39/16/506603916.db2.gz WLKSSYNDOUGCTA-IERDGZPVSA-N 0 3 360.461 3.246 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)NCC2(C#N)CCCC2)N(C)C)cc1 ZINC000593406803 506604213 /nfs/dbraw/zinc/60/42/13/506604213.db2.gz GKXBACCITSKCBD-QGZVFWFLSA-N 0 3 360.527 3.394 20 30 FGEDHN CC(C)(C#N)CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000599743839 506613007 /nfs/dbraw/zinc/61/30/07/506613007.db2.gz FLMNCBJSKRDGSH-IAGOWNOFSA-N 0 3 368.506 3.025 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)NCC1(C#N)CCCC1 ZINC000593428384 506614797 /nfs/dbraw/zinc/61/47/97/506614797.db2.gz WRHXQQYBYPCZQY-UHFFFAOYSA-N 0 3 356.514 3.276 20 30 FGEDHN COc1cc(NC(=O)NCCCN(C)Cc2ccccc2)c(F)cc1C#N ZINC000599818946 506655461 /nfs/dbraw/zinc/65/54/61/506655461.db2.gz BYGONOKKQYRILL-UHFFFAOYSA-N 0 3 370.428 3.350 20 30 FGEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603957686 506671447 /nfs/dbraw/zinc/67/14/47/506671447.db2.gz BEPCUMSUHIOVDS-UHFFFAOYSA-N 0 3 371.934 3.200 20 30 FGEDHN N#Cc1ccc(O[C@H]2CCN(C[C@H](O)Cc3ccc4ccccc4c3)C2)nc1 ZINC000590004524 506703961 /nfs/dbraw/zinc/70/39/61/506703961.db2.gz DZSSPGWVOCCXPR-YADHBBJMSA-N 0 3 373.456 3.163 20 30 FGEDHN COc1cc(CNCCSCc2ccccc2C#N)cc2c1OCO2 ZINC000608841608 506723416 /nfs/dbraw/zinc/72/34/16/506723416.db2.gz NVXHFUJVJKEKMS-UHFFFAOYSA-N 0 3 356.447 3.319 20 30 FGEDHN COCCc1ccc(OC[C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000597133173 506794912 /nfs/dbraw/zinc/79/49/12/506794912.db2.gz PEJGCKZBUUHSIQ-INIZCTEOSA-N 0 3 354.450 3.313 20 30 FGEDHN N#CCCN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccc(F)cc1 ZINC000597178683 506816077 /nfs/dbraw/zinc/81/60/77/506816077.db2.gz AANTYGRPHWJPKF-LSDHHAIUSA-N 0 3 374.334 3.056 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000593890187 506822351 /nfs/dbraw/zinc/82/23/51/506822351.db2.gz ANXCWDVZZGZGSU-LJQANCHMSA-N 0 3 363.436 3.452 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609239973 506823802 /nfs/dbraw/zinc/82/38/02/506823802.db2.gz GMGHDOBLOMJSHH-DNVCBOLYSA-N 0 3 366.440 3.332 20 30 FGEDHN C[C@@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CCN(C2CCC2)C1 ZINC000590452384 506828139 /nfs/dbraw/zinc/82/81/39/506828139.db2.gz VLPORFJBHWIOEO-INIZCTEOSA-N 0 3 350.466 3.111 20 30 FGEDHN CN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000583533385 506830830 /nfs/dbraw/zinc/83/08/30/506830830.db2.gz QSBFBGVWSAWQRL-FQEVSTJZSA-N 0 3 372.476 3.064 20 30 FGEDHN CN1CC[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000583568021 506853544 /nfs/dbraw/zinc/85/35/44/506853544.db2.gz UJOHJVWJUFVVAW-HKUYNNGSSA-N 0 3 372.375 3.280 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000609391253 506873112 /nfs/dbraw/zinc/87/31/12/506873112.db2.gz IZVWCYDIQHKFTC-INIZCTEOSA-N 0 3 369.494 3.069 20 30 FGEDHN N#Cc1ccccc1OCCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000594014326 506882768 /nfs/dbraw/zinc/88/27/68/506882768.db2.gz ZGLBNGVAGHGCKD-MXVIHJGJSA-N 0 3 366.461 3.448 20 30 FGEDHN N#CC1(CC(=O)NCc2ccccc2CN2CCC(O)CC2)CCCCC1 ZINC000597330656 506901742 /nfs/dbraw/zinc/90/17/42/506901742.db2.gz VTQXMVUXXUKUHT-UHFFFAOYSA-N 0 3 369.509 3.124 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000597371693 506918126 /nfs/dbraw/zinc/91/81/26/506918126.db2.gz JUJMQDGLTMECPK-BBRMVZONSA-N 0 3 355.388 3.229 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1C#N ZINC000594083520 506931707 /nfs/dbraw/zinc/93/17/07/506931707.db2.gz KDTXUFXMTLMNQO-QZTJIDSGSA-N 0 3 356.470 3.484 20 30 FGEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1Cl ZINC000609595881 506938050 /nfs/dbraw/zinc/93/80/50/506938050.db2.gz LMOYFLZWDHWMOU-LPHOPBHVSA-N 0 3 368.868 3.328 20 30 FGEDHN CC[C@@H](C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597426949 506948527 /nfs/dbraw/zinc/94/85/27/506948527.db2.gz QAJUDJYKBUUYKJ-MRXNPFEDSA-N 0 3 364.497 3.147 20 30 FGEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccnc1 ZINC000609659970 506965254 /nfs/dbraw/zinc/96/52/54/506965254.db2.gz CNEQIINILLPLSY-KRWDZBQOSA-N 0 3 350.466 3.037 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCC1 ZINC000590833203 506988074 /nfs/dbraw/zinc/98/80/74/506988074.db2.gz KYUVCYARDNEEHO-HXUWFJFHSA-N 0 3 354.498 3.376 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccsc1)c1cccc(C#N)c1 ZINC000590928305 507032796 /nfs/dbraw/zinc/03/27/96/507032796.db2.gz XLDMRLFEQSONFM-OAHLLOKOSA-N 0 3 356.495 3.454 20 30 FGEDHN N#Cc1ccc(Cl)cc1NCCCN1CCN(c2ccncc2)CC1 ZINC000609891999 507040281 /nfs/dbraw/zinc/04/02/81/507040281.db2.gz ZXXBGUHGBLSWLU-UHFFFAOYSA-N 0 3 355.873 3.231 20 30 FGEDHN CC(C#N)C(=O)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000609920128 507049823 /nfs/dbraw/zinc/04/98/23/507049823.db2.gz LPTTVEAEMMEZLU-MRXNPFEDSA-N 0 3 365.433 3.260 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000590943312 507052551 /nfs/dbraw/zinc/05/25/51/507052551.db2.gz XQQKCBZFKSLZTN-MJGOQNOKSA-N 0 3 360.527 3.346 20 30 FGEDHN Cc1ccc(CS(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)cc1C#N ZINC000600663666 507053954 /nfs/dbraw/zinc/05/39/54/507053954.db2.gz FVZUZHDNLVIJTF-CVEARBPZSA-N 0 3 370.474 3.047 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2c(Cl)cccc2Cl)s1 ZINC000583930090 507055925 /nfs/dbraw/zinc/05/59/25/507055925.db2.gz PURBSQUHKBFPCX-JTQLQIEISA-N 0 3 357.262 3.456 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594281578 507059938 /nfs/dbraw/zinc/05/99/38/507059938.db2.gz DLOAWDFXQUBLLT-WOJBJXKFSA-N 0 3 354.498 3.497 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000594302111 507070915 /nfs/dbraw/zinc/07/09/15/507070915.db2.gz CWBCWZCIQOSKGA-AVRDEDQJSA-N 0 3 361.489 3.470 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccccc1OC1CCCC1 ZINC000600715518 507078930 /nfs/dbraw/zinc/07/89/30/507078930.db2.gz GQOXUACVLYVUGO-LJQANCHMSA-N 0 3 366.461 3.409 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000600717585 507080021 /nfs/dbraw/zinc/08/00/21/507080021.db2.gz BSPGKWZKFWKOQO-IBGZPJMESA-N 0 3 367.424 3.222 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2ccc(Oc3ccccc3)nc2)CCOCC1 ZINC000600725156 507083303 /nfs/dbraw/zinc/08/33/03/507083303.db2.gz WUSWGIJQDNCWQH-SFHVURJKSA-N 0 3 367.449 3.035 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H]4C[C@H]3CS4)sc2C1 ZINC000591040935 507090141 /nfs/dbraw/zinc/09/01/41/507090141.db2.gz GSIHCCLPZSOEPQ-AGIUHOORSA-N 0 3 361.536 3.263 20 30 FGEDHN N#CCc1cccc2c1CCN(C(=O)CCN1CCc3ccccc3C1)C2 ZINC000600789201 507123337 /nfs/dbraw/zinc/12/33/37/507123337.db2.gz SAZQBQRYFZNPQL-UHFFFAOYSA-N 0 3 359.473 3.086 20 30 FGEDHN CC(C)CNC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594425536 507125317 /nfs/dbraw/zinc/12/53/17/507125317.db2.gz AEGLWWXBQXUPAN-MRXNPFEDSA-N 0 3 364.877 3.076 20 30 FGEDHN COc1ccc(-c2nc(NC(=O)[C@@H](N)CCCCC#N)sc2C)cc1 ZINC000594424556 507125552 /nfs/dbraw/zinc/12/55/52/507125552.db2.gz FTHAVRGFKXQCPK-HNNXBMFYSA-N 0 3 358.467 3.477 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000594426326 507127215 /nfs/dbraw/zinc/12/72/15/507127215.db2.gz OJBMVHRNAOLHPP-HNNXBMFYSA-N 0 3 353.451 3.413 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000594426922 507127476 /nfs/dbraw/zinc/12/74/76/507127476.db2.gz GLAOMAJHHWKNLD-HNNXBMFYSA-N 0 3 364.287 3.356 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000594425762 507127626 /nfs/dbraw/zinc/12/76/26/507127626.db2.gz BVDVJYJSEGCDTK-JTQLQIEISA-N 0 3 363.311 3.239 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000594429841 507129812 /nfs/dbraw/zinc/12/98/12/507129812.db2.gz XCDZGFAHIFWTHS-QCNOEVLYSA-N 0 3 373.341 3.423 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000594432950 507130945 /nfs/dbraw/zinc/13/09/45/507130945.db2.gz HOTUVQRDEFCSHE-OAHLLOKOSA-N 0 3 364.287 3.008 20 30 FGEDHN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594436268 507130974 /nfs/dbraw/zinc/13/09/74/507130974.db2.gz CLVAZPBTNCULRV-NVXWUHKLSA-N 0 3 362.905 3.002 20 30 FGEDHN COc1ccc(-c2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)cc1 ZINC000594433986 507131060 /nfs/dbraw/zinc/13/10/60/507131060.db2.gz VWSDJIPOIBUBJM-HXUWFJFHSA-N 0 3 351.450 3.390 20 30 FGEDHN CC(C)c1nccn1Cc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594440237 507132761 /nfs/dbraw/zinc/13/27/61/507132761.db2.gz ALUUMGGTWDMKEK-GOSISDBHSA-N 0 3 353.470 3.405 20 30 FGEDHN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cc2)n1 ZINC000594440039 507133472 /nfs/dbraw/zinc/13/34/72/507133472.db2.gz YPKWTQXYAWNZLW-QFBILLFUSA-N 0 3 353.470 3.078 20 30 FGEDHN Cc1nc(CNC(=O)[C@@H](N)CCCCC#N)oc1-c1ccc(Cl)cc1 ZINC000594445666 507136825 /nfs/dbraw/zinc/13/68/25/507136825.db2.gz JTJODAYRDVFHCE-HNNXBMFYSA-N 0 3 360.845 3.331 20 30 FGEDHN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H](N)CCCCC#N ZINC000594445678 507137527 /nfs/dbraw/zinc/13/75/27/507137527.db2.gz JWWJEIZFDKFJCV-NHYWBVRUSA-N 0 3 370.266 3.047 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000594447902 507138657 /nfs/dbraw/zinc/13/86/57/507138657.db2.gz XFYMZXGWUYQXCQ-HOTGVXAUSA-N 0 3 351.903 3.368 20 30 FGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000597861015 507139166 /nfs/dbraw/zinc/13/91/66/507139166.db2.gz RGOWWKZMYAVIHY-KRWDZBQOSA-N 0 3 365.481 3.066 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000594453175 507140275 /nfs/dbraw/zinc/14/02/75/507140275.db2.gz LHDYLJMLFJSDGD-CYBMUJFWSA-N 0 3 370.316 3.413 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000591315912 507198439 /nfs/dbraw/zinc/19/84/39/507198439.db2.gz UJGZJOAGARVDFT-HXUWFJFHSA-N 0 3 367.493 3.087 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccccc1OCCN(C)C)c1cccc(C#N)c1 ZINC000610349767 507206010 /nfs/dbraw/zinc/20/60/10/507206010.db2.gz XADDRUCTMABLAX-MRXNPFEDSA-N 0 3 366.465 3.059 20 30 FGEDHN N#Cc1cc(N[C@H]2CCCN3CCCC[C@@H]23)nc2ccc([N+](=O)[O-])cc12 ZINC000594604038 507206474 /nfs/dbraw/zinc/20/64/74/507206474.db2.gz XCOZGNAAEJORHC-ROUUACIJSA-N 0 3 351.410 3.443 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C12CCC2 ZINC000594719119 507251253 /nfs/dbraw/zinc/25/12/53/507251253.db2.gz XOHXEDANMNWJGM-GUDVDZBRSA-N 0 3 367.493 3.379 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CCC[C@@H]3C#N)c(C)c2)CC1 ZINC000601239508 507307128 /nfs/dbraw/zinc/30/71/28/507307128.db2.gz MENHWEVSSQVRSK-YLJYHZDGSA-N 0 3 369.513 3.293 20 30 FGEDHN Cc1cccc2[nH]c(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 ZINC000594936630 507321621 /nfs/dbraw/zinc/32/16/21/507321621.db2.gz GFMXZACRJNZLBF-OAQYLSRUSA-N 0 3 358.445 3.239 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc2ccccc2n1CC#N ZINC000610626756 507323631 /nfs/dbraw/zinc/32/36/31/507323631.db2.gz KYHGWTOSROWMJZ-UHFFFAOYSA-N 0 3 366.490 3.430 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(Cc3ccccc3)CCC2)c1 ZINC000591751624 507347841 /nfs/dbraw/zinc/34/78/41/507347841.db2.gz KJQRASLYVYDJJM-UHFFFAOYSA-N 0 3 368.502 3.335 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000591763912 507351684 /nfs/dbraw/zinc/35/16/84/507351684.db2.gz QMRAXEFQXOSTPI-UYAOXDASSA-N 0 3 356.853 3.366 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000598311387 507373421 /nfs/dbraw/zinc/37/34/21/507373421.db2.gz VFYMREFBXNDGOG-XUVXKRRUSA-N 0 3 351.450 3.048 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccccc2C(F)(F)F)s1 ZINC000584586195 507426963 /nfs/dbraw/zinc/42/69/63/507426963.db2.gz OIQMTYHHWZNYSG-LLVKDONJSA-N 0 3 356.369 3.168 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@@](C)(O)C2CC2)cc1OC ZINC000601773782 507454595 /nfs/dbraw/zinc/45/45/95/507454595.db2.gz OWRQXXVSUSBHJK-QGZVFWFLSA-N 0 3 370.287 3.273 20 30 FGEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584708410 507463881 /nfs/dbraw/zinc/46/38/81/507463881.db2.gz UCLISEUBGPPBTI-IAGOWNOFSA-N 0 3 373.545 3.057 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CC[C@@](C)(C#N)C1)c1cccc(OC)c1 ZINC000595438205 507497330 /nfs/dbraw/zinc/49/73/30/507497330.db2.gz CVENPAUWBACMGE-QUCCMNQESA-N 0 3 358.486 3.023 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CC[C@@](C)(C#N)C1)c1cccc(OC)c1 ZINC000595438203 507498311 /nfs/dbraw/zinc/49/83/11/507498311.db2.gz CVENPAUWBACMGE-ICSRJNTNSA-N 0 3 358.486 3.023 20 30 FGEDHN C/C=C\c1ccc(OC[C@H](O)CN2CCC(CCC#N)CC2)c(OC)c1 ZINC000592135786 507500372 /nfs/dbraw/zinc/50/03/72/507500372.db2.gz PWDCPLXCUUFLSR-SIEMBAAWSA-N 0 3 358.482 3.484 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H](CC#N)C2)CC1 ZINC000595457921 507507560 /nfs/dbraw/zinc/50/75/60/507507560.db2.gz GFAWDZUZAWEATG-GOSISDBHSA-N 0 3 354.498 3.295 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@H](CC#N)C2)CC1 ZINC000595457924 507508490 /nfs/dbraw/zinc/50/84/90/507508490.db2.gz GFAWDZUZAWEATG-SFHVURJKSA-N 0 3 354.498 3.295 20 30 FGEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154112 507510375 /nfs/dbraw/zinc/51/03/75/507510375.db2.gz PJCVFHHAIKOIPD-IFMALSPDSA-N 0 3 370.541 3.026 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000595475550 507518274 /nfs/dbraw/zinc/51/82/74/507518274.db2.gz KJYPAXITRBZXET-PMACEKPBSA-N 0 3 354.498 3.234 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592182514 507528240 /nfs/dbraw/zinc/52/82/40/507528240.db2.gz CCAHYQMHEDICNY-ZWKOTPCHSA-N 0 3 355.482 3.213 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000598678559 507549276 /nfs/dbraw/zinc/54/92/76/507549276.db2.gz YVNHQGGXTVMFCA-YLJYHZDGSA-N 0 3 363.461 3.390 20 30 FGEDHN N#CCCCOc1cccc(CNCCn2ccc(C(F)(F)F)n2)c1 ZINC000602018302 507557233 /nfs/dbraw/zinc/55/72/33/507557233.db2.gz YMYDIKQKELZZNX-UHFFFAOYSA-N 0 3 352.360 3.374 20 30 FGEDHN N#Cc1cc(F)c(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c(F)c1 ZINC000611197564 507558544 /nfs/dbraw/zinc/55/85/44/507558544.db2.gz NUDYGZWIJJDKNG-UHFFFAOYSA-N 0 3 371.387 3.045 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCc2c1ccc(F)c2Br ZINC000598728787 507568834 /nfs/dbraw/zinc/56/88/34/507568834.db2.gz VQFIQSICRLBFBG-QMTHXVAHSA-N 0 3 355.251 3.466 20 30 FGEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595633287 507604409 /nfs/dbraw/zinc/60/44/09/507604409.db2.gz OUHXSHVKDSKLDF-LXZKKBNFSA-N 0 3 356.388 3.233 20 30 FGEDHN CS(=O)(=O)Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391131 507659390 /nfs/dbraw/zinc/65/93/90/507659390.db2.gz ULKQIAFTZMFMEP-HXUWFJFHSA-N 0 3 354.475 3.270 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000611417898 507672660 /nfs/dbraw/zinc/67/26/60/507672660.db2.gz CEJWEJGPZRWWEM-UHFFFAOYSA-N 0 3 373.497 3.092 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3ccccc3F)CCOCC2)c1 ZINC000595775320 507679401 /nfs/dbraw/zinc/67/94/01/507679401.db2.gz VANHGUJEAAFVCD-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN N#Cc1cccc(C2(NCCOCCOc3ccccc3)CCOCC2)c1 ZINC000595775770 507679449 /nfs/dbraw/zinc/67/94/49/507679449.db2.gz YECXUFSDHNONMF-UHFFFAOYSA-N 0 3 366.461 3.249 20 30 FGEDHN CC(C)(O)CN(Cc1ccc(C#N)cc1Br)C1CCOCC1 ZINC000611500618 507708116 /nfs/dbraw/zinc/70/81/16/507708116.db2.gz DREJSAZNOXVQPV-UHFFFAOYSA-N 0 3 367.287 3.073 20 30 FGEDHN N#Cc1ccc(NCC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000587991889 507725702 /nfs/dbraw/zinc/72/57/02/507725702.db2.gz HPFFZZYBTBFZKM-HSZRJFAPSA-N 0 3 374.488 3.095 20 30 FGEDHN CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)c2ccc(Br)cc21 ZINC000602555615 507748160 /nfs/dbraw/zinc/74/81/60/507748160.db2.gz MVLKJUJKDVMCGR-AWEZNQCLSA-N 0 3 364.287 3.485 20 30 FGEDHN C=CC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)CC1CCCCC1 ZINC000819743517 599638278 /nfs/dbraw/zinc/63/82/78/599638278.db2.gz KVRGORSVBVMFRW-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN C=CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)CC1CCCCC1 ZINC000819743517 599638279 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C=CC[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000625704042 715776213 /nfs/dbraw/zinc/77/62/13/715776213.db2.gz MXFDCQSIJOYDBW-MRXNPFEDSA-N 0 3 350.384 3.071 20 30 FGEDHN C=CCOCCCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000795462923 723593279 /nfs/dbraw/zinc/59/32/79/723593279.db2.gz ATFOBKJASRANAQ-ZDUSSCGKSA-N 0 3 372.248 3.482 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000647582084 718368331 /nfs/dbraw/zinc/36/83/31/718368331.db2.gz BMRUGTFCYSMXQK-MJGOQNOKSA-N 0 3 350.528 3.356 20 30 FGEDHN C=CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H](C)COC ZINC000663450823 720516279 /nfs/dbraw/zinc/51/62/79/720516279.db2.gz MCTDJAMYKCHXLX-HZPDHXFCSA-N 0 3 351.516 3.118 20 30 FGEDHN N#Cc1ccc(CNC2CCN(Cc3c(F)cccc3Cl)CC2)nc1 ZINC000783294694 724745464 /nfs/dbraw/zinc/74/54/64/724745464.db2.gz SZBZUWKVPJSLBH-UHFFFAOYSA-N 0 3 358.848 3.500 20 30 FGEDHN CCC#C[C@@H](C)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000677478552 721897218 /nfs/dbraw/zinc/89/72/18/721897218.db2.gz 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C#CCOc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000802380662 724379966 /nfs/dbraw/zinc/37/99/66/724379966.db2.gz DPBYVGLPFQNXFN-LJQANCHMSA-N 0 3 356.853 3.385 20 30 FGEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000786537753 724987462 /nfs/dbraw/zinc/98/74/62/724987462.db2.gz KRGBFCUBUBAKNV-COXVUDFISA-N 0 3 362.857 3.260 20 30 FGEDHN CCN(CC)CCS(=O)(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000810031542 725283328 /nfs/dbraw/zinc/28/33/28/725283328.db2.gz PPYILCDDUHSHIU-UHFFFAOYSA-N 0 3 358.463 3.276 20 30 FGEDHN CC(COC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N+](=O)[O-] ZINC000813103650 726839386 /nfs/dbraw/zinc/83/93/86/726839386.db2.gz DGNJPFRRGDGZIH-LBPRGKRZSA-N 0 3 365.817 3.027 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(F)c1 ZINC000815904561 727105898 /nfs/dbraw/zinc/10/58/98/727105898.db2.gz JJIVVZZEIVTRKK-CYBMUJFWSA-N 0 3 354.809 3.263 20 30 FGEDHN C#CCN(C)CCCNC(=O)CCSc1ccc(Br)cc1 ZINC000818588726 727315452 /nfs/dbraw/zinc/31/54/52/727315452.db2.gz DVVZMAQHWOGINH-UHFFFAOYSA-N 0 3 369.328 3.003 20 30 FGEDHN COc1ccc(N2CCC(NCc3cc(C#N)cnc3Cl)CC2)cc1 ZINC000876998555 736173411 /nfs/dbraw/zinc/17/34/11/736173411.db2.gz JJNPWTVIPJOPOA-UHFFFAOYSA-N 0 3 356.857 3.374 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H]1CSc2ccccc2O1 ZINC000835057869 729854150 /nfs/dbraw/zinc/85/41/50/729854150.db2.gz UXRPRJPULRDLNH-LSDHHAIUSA-N 0 3 360.479 3.335 20 30 FGEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000835062367 729854496 /nfs/dbraw/zinc/85/44/96/729854496.db2.gz SXERXVAGLDADRY-OLZOCXBDSA-N 0 3 356.394 3.464 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000835064534 729855079 /nfs/dbraw/zinc/85/50/79/729855079.db2.gz GDUYPEIPHAAUHC-KXUCPTDWSA-N 0 3 360.719 3.194 20 30 FGEDHN Cn1nc(C2CC2)nc1CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000842689469 730531630 /nfs/dbraw/zinc/53/16/30/730531630.db2.gz GZLWNTQSNRGQQY-NSHDSACASA-N 0 3 371.853 3.375 20 30 FGEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000854071115 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C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000876748415 736140004 /nfs/dbraw/zinc/14/00/04/736140004.db2.gz BFPQMWFVAGGNQP-HIFRSBDPSA-N 0 3 356.297 3.061 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnn(-c2ccc(F)cc2)c1CCC ZINC000876909908 736161437 /nfs/dbraw/zinc/16/14/37/736161437.db2.gz MICBOWYHLYMIHI-AWEZNQCLSA-N 0 3 350.825 3.372 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(N3CCCC3)c(Cl)c1)C2 ZINC000884207535 737643159 /nfs/dbraw/zinc/64/31/59/737643159.db2.gz YIHGCMKBDLBBRJ-SHYRYGCCSA-N 0 3 358.873 3.018 20 30 FGEDHN C#CCN(C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C1CCN(C)CC1 ZINC000886575685 739271508 /nfs/dbraw/zinc/27/15/08/739271508.db2.gz FWHCVROBDVSGFT-INIZCTEOSA-N 0 3 356.363 3.272 20 30 FGEDHN C#CCN(C(=O)c1ccc(-c2csc(C)n2)cc1)C1CCN(C)CC1 ZINC000886575964 739271543 /nfs/dbraw/zinc/27/15/43/739271543.db2.gz RBCKEPXITRVEQN-UHFFFAOYSA-N 0 3 353.491 3.288 20 30 FGEDHN C#CCN(C(=O)c1cc2cccc(C)c2nc1Cl)C1CCN(C)CC1 ZINC000886575681 739271798 /nfs/dbraw/zinc/27/17/98/739271798.db2.gz FSMISORNXUWFBJ-UHFFFAOYSA-N 0 3 355.869 3.366 20 30 FGEDHN C#CCC1(NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)CCOCC1 ZINC000887701252 739413363 /nfs/dbraw/zinc/41/33/63/739413363.db2.gz QNZIJVLRBFNXIM-KRWDZBQOSA-N 0 3 363.527 3.003 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CCc2sccc2C1=O)C(=O)NC1CCCCC1 ZINC000892491839 740005778 /nfs/dbraw/zinc/00/57/78/740005778.db2.gz NZVOBAKOYBQAQU-WFASDCNBSA-N 0 3 358.463 3.041 20 30 FGEDHN C[C@@H](CCC#N)CN1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000896987382 742627130 /nfs/dbraw/zinc/62/71/30/742627130.db2.gz OLENDISEDOWBCM-INIZCTEOSA-N 0 3 351.491 3.028 20 30 FGEDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2nc(C#N)cs2)C[C@@H]1C(F)(F)F ZINC000897625899 742697202 /nfs/dbraw/zinc/69/72/02/742697202.db2.gz JUPFNJLRQCHCKL-JLLWLGSASA-N 0 3 361.389 3.015 20 30 FGEDHN C=CCOc1ccc(CN2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1 ZINC000898398546 742789266 /nfs/dbraw/zinc/78/92/66/742789266.db2.gz GXOHDCMMNJJUCH-VWLOTQADSA-N 0 3 365.543 3.038 20 30 FGEDHN Nc1nc(Cl)c(C=NNc2cc(F)ccc2F)c(N2CCCC2)n1 ZINC000901321178 743253385 /nfs/dbraw/zinc/25/33/85/743253385.db2.gz UZNNQERXASRCLY-UHFFFAOYSA-N 0 3 352.776 3.037 20 30 FGEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C(C)(C)C1 ZINC000940839915 762165546 /nfs/dbraw/zinc/16/55/46/762165546.db2.gz QYGYPFIZULLAKH-BZUAXINKSA-N 0 3 356.432 3.371 20 30 FGEDHN C#CCN(C(=O)N[C@@H](C)c1c(F)cccc1Cl)C1CCN(C)CC1 ZINC000921308922 758685131 /nfs/dbraw/zinc/68/51/31/758685131.db2.gz QVMNWQNXXCKUMG-ZDUSSCGKSA-N 0 3 351.853 3.279 20 30 FGEDHN N#Cc1cc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cs1 ZINC000921598161 758753838 /nfs/dbraw/zinc/75/38/38/758753838.db2.gz XWPVRHPQDNZWSX-CYBMUJFWSA-N 0 3 356.369 3.168 20 30 FGEDHN C=CCCC[C@@H]1NC(=O)N(C[C@H]2CCCN(C)[C@@H]2c2cccs2)C1=O ZINC000924699501 759372819 /nfs/dbraw/zinc/37/28/19/759372819.db2.gz FDEGIVDIZKVJNL-VYDXJSESSA-N 0 3 361.511 3.408 20 30 FGEDHN C=CCC[C@H](O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941216 761280531 /nfs/dbraw/zinc/28/05/31/761280531.db2.gz JTIXDLVCSIYJQB-GUBZILKMSA-N 0 3 367.280 3.416 20 30 FGEDHN N#CC1(CCCCN2CCC(S(=O)(=O)N3CCCCC3)CC2)CCC1 ZINC000933086708 761315006 /nfs/dbraw/zinc/31/50/06/761315006.db2.gz RZMJOELDDRHUAH-UHFFFAOYSA-N 0 3 367.559 3.131 20 30 FGEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1 ZINC000961413350 762747879 /nfs/dbraw/zinc/74/78/79/762747879.db2.gz ZGWMOUNOZXBREB-JLSDUUJJSA-N 0 3 354.922 3.115 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(CCCc2ccsc2)C1 ZINC000970571416 762880321 /nfs/dbraw/zinc/88/03/21/762880321.db2.gz KGMDVXTWVMFMIV-MNEFBYGVSA-N 0 3 362.539 3.098 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)s1 ZINC000999210088 765147338 /nfs/dbraw/zinc/14/73/38/765147338.db2.gz TXRMKZNAZBWQHL-YYAJDYIMSA-N 0 3 355.507 3.303 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001004578843 765439126 /nfs/dbraw/zinc/43/91/26/765439126.db2.gz XRRUTSDEXBMWKH-OTWHNJEPSA-N 0 3 366.933 3.423 20 30 FGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC001016688613 765820398 /nfs/dbraw/zinc/82/03/98/765820398.db2.gz TVFLECRUDXBUTP-OAGGEKHMSA-N 0 3 354.416 3.125 20 30 FGEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](NCc3ccc(C#N)s3)C2)s1 ZINC001019487056 765858399 /nfs/dbraw/zinc/85/83/99/765858399.db2.gz UJVRRSYLOMZNGX-IAOVAPTHSA-N 0 3 371.531 3.484 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001019488040 765858479 /nfs/dbraw/zinc/85/84/79/765858479.db2.gz OILFPRPMMSFBBY-QRTARXTBSA-N 0 3 368.930 3.463 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001020726640 765887958 /nfs/dbraw/zinc/88/79/58/765887958.db2.gz PWGSLIZTXGLIEQ-QCQGSNGOSA-N 0 3 354.903 3.120 20 30 FGEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001024617524 766058631 /nfs/dbraw/zinc/05/86/31/766058631.db2.gz IGFWOIYRGHDDOO-RBSFLKMASA-N 0 3 350.915 3.499 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001027585841 766098473 /nfs/dbraw/zinc/09/84/73/766098473.db2.gz QYTKULGNHBRAIQ-OTWHNJEPSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033961091 766228805 /nfs/dbraw/zinc/22/88/05/766228805.db2.gz OTWPKAHCKYFCIO-QRVBRYPASA-N 0 3 362.539 3.379 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001035186078 766256164 /nfs/dbraw/zinc/25/61/64/766256164.db2.gz PVSFKLVLZYDJMC-YHKAFVHASA-N 0 3 352.906 3.035 20 30 FGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CC2 ZINC001035817092 766266957 /nfs/dbraw/zinc/26/69/57/766266957.db2.gz DYEOXHDTFRTODB-RBUKOAKNSA-N 0 3 356.897 3.391 20 30 FGEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)CC1 ZINC001040704480 766318750 /nfs/dbraw/zinc/31/87/50/766318750.db2.gz XJWBWNBNUCWWNP-QZTJIDSGSA-N 0 3 356.535 3.498 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001052721923 766915646 /nfs/dbraw/zinc/91/56/46/766915646.db2.gz HQBGULMKKWLIGY-OTWHNJEPSA-N 0 3 362.901 3.402 20 30 FGEDHN CC(C)NC(=O)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000047701736 257342437 /nfs/dbraw/zinc/34/24/37/257342437.db2.gz GFKRYCVNMZDSFP-UHFFFAOYSA-N 0 3 351.450 3.142 20 30 FGEDHN C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1cc2n(n1)CCC2 ZINC000576804444 505598812 /nfs/dbraw/zinc/59/88/12/505598812.db2.gz GJVNBPIKFVTUAG-MXWWQKGMSA-N 0 3 351.454 3.137 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1cccs1 ZINC000573899561 505647338 /nfs/dbraw/zinc/64/73/38/505647338.db2.gz SZPVHTTTZIKWRD-DYVFJYSZSA-N 0 3 374.897 3.481 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068313358 493795692 /nfs/dbraw/zinc/79/56/92/493795692.db2.gz XCLDKDMNTYSDHG-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN Cc1cc(C)c(C#N)c(NCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000029585873 493845843 /nfs/dbraw/zinc/84/58/43/493845843.db2.gz RCLKVIQMVGYJLS-UHFFFAOYSA-N 0 3 363.509 3.190 20 30 FGEDHN CCN(CCC(=O)Nc1ccccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000058490592 493858913 /nfs/dbraw/zinc/85/89/13/493858913.db2.gz PORDWYPGKNOMRL-QGZVFWFLSA-N 0 3 365.433 3.049 20 30 FGEDHN C[C@@H](NCC1(c2ccccc2)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000030507794 493893889 /nfs/dbraw/zinc/89/38/89/493893889.db2.gz UFZYBWOWZBBCLW-QGZVFWFLSA-N 0 3 363.461 3.223 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000030535817 493895634 /nfs/dbraw/zinc/89/56/34/493895634.db2.gz XNPALZMULLVFDE-CRAIPNDOSA-N 0 3 355.434 3.234 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000050107802 493897921 /nfs/dbraw/zinc/89/79/21/493897921.db2.gz XLNOOPOBZHXFSM-UHFFFAOYSA-N 0 3 374.510 3.050 20 30 FGEDHN N#Cc1ccc(CNC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000061021754 493962431 /nfs/dbraw/zinc/96/24/31/493962431.db2.gz YWEOHHXFMFEAIA-UHFFFAOYSA-N 0 3 368.506 3.331 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccsc1 ZINC000031987329 493969592 /nfs/dbraw/zinc/96/95/92/493969592.db2.gz SVQWCKQZXXTCNV-GOSISDBHSA-N 0 3 357.479 3.198 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000051502973 493973419 /nfs/dbraw/zinc/97/34/19/493973419.db2.gz IITPYOVIQVKFSZ-UHFFFAOYSA-N 0 3 363.461 3.222 20 30 FGEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc2ccccc21 ZINC000568440086 505694161 /nfs/dbraw/zinc/69/41/61/505694161.db2.gz KJJGTUGVGCAYEM-HNNXBMFYSA-N 0 3 365.458 3.231 20 30 FGEDHN CC(C)(C)OC(=O)NCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000083454500 494017897 /nfs/dbraw/zinc/01/78/97/494017897.db2.gz JZBXJCBUJPQAFN-UHFFFAOYSA-N 0 3 369.469 3.078 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3cc(C#N)cs3)c(C)c2)CC1 ZINC000084070141 494046102 /nfs/dbraw/zinc/04/61/02/494046102.db2.gz ZCMPFXNNQJYPIJ-UHFFFAOYSA-N 0 3 354.479 3.322 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000052660692 494051097 /nfs/dbraw/zinc/05/10/97/494051097.db2.gz KBIVPTAYKJBFTL-MRXNPFEDSA-N 0 3 371.506 3.440 20 30 FGEDHN CC(C)C1CCC(N2CCN(CC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000084715715 494092993 /nfs/dbraw/zinc/09/29/93/494092993.db2.gz OAZPNZUMPPSHLA-UHFFFAOYSA-N 0 3 374.554 3.391 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N3CCCN(CC4CCC4)CC3)on2)c1 ZINC000574137347 505702695 /nfs/dbraw/zinc/70/26/95/505702695.db2.gz RWFHATHXJJOEAA-UHFFFAOYSA-N 0 3 364.449 3.161 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H](C)C(C)C ZINC000065299453 494187965 /nfs/dbraw/zinc/18/79/65/494187965.db2.gz FDNNJGDGNQUMLK-MRXNPFEDSA-N 0 3 362.518 3.318 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ncnc4cccc(F)c43)CC2)cc1 ZINC000054045257 494189943 /nfs/dbraw/zinc/18/99/43/494189943.db2.gz BEESKGRPSYATMB-UHFFFAOYSA-N 0 3 361.424 3.353 20 30 FGEDHN C[C@@H](Cc1ccccc1F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000078069941 494222338 /nfs/dbraw/zinc/22/23/38/494222338.db2.gz DQYWOYFMWXWZDL-KRWDZBQOSA-N 0 3 367.468 3.466 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000072751517 494244444 /nfs/dbraw/zinc/24/44/44/494244444.db2.gz MAVCYNKVHKVLQV-PKOBYXMFSA-N 0 3 372.490 3.041 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c(F)cccc1Cl ZINC000065931253 494257334 /nfs/dbraw/zinc/25/73/34/494257334.db2.gz KNCOMHVSXSGBDH-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2ccccc12 ZINC000065931357 494258224 /nfs/dbraw/zinc/25/82/24/494258224.db2.gz DYSGHHJRZIUAGV-UHFFFAOYSA-N 0 3 360.461 3.172 20 30 FGEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000065932849 494258245 /nfs/dbraw/zinc/25/82/45/494258245.db2.gz IQEICEQECVJASH-OAHLLOKOSA-N 0 3 360.479 3.474 20 30 FGEDHN C[C@H](CCc1ccco1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000043725305 494314833 /nfs/dbraw/zinc/31/48/33/494314833.db2.gz UFUFIHUDFKMJHG-QGZVFWFLSA-N 0 3 368.481 3.246 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000066390372 494325212 /nfs/dbraw/zinc/32/52/12/494325212.db2.gz DMKFTEHXUIUJRA-KRWDZBQOSA-N 0 3 360.473 3.053 20 30 FGEDHN Cc1cnc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000079080825 494400946 /nfs/dbraw/zinc/40/09/46/494400946.db2.gz BKFFSBVBJOVKOB-OAHLLOKOSA-N 0 3 371.510 3.158 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000017362898 494413324 /nfs/dbraw/zinc/41/33/24/494413324.db2.gz ZELXMSPLHYYVFQ-KRWDZBQOSA-N 0 3 363.461 3.106 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1sc(C)nc1C)C(C)C ZINC000073710654 494415988 /nfs/dbraw/zinc/41/59/88/494415988.db2.gz CJUKJKPVAHXGPA-MRXNPFEDSA-N 0 3 350.532 3.258 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2)CC1 ZINC000073767134 494425484 /nfs/dbraw/zinc/42/54/84/494425484.db2.gz RWNYMIKEHIXIDI-UTKZUKDTSA-N 0 3 354.498 3.031 20 30 FGEDHN N#CCSc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000079401626 494448346 /nfs/dbraw/zinc/44/83/46/494448346.db2.gz FNGHBANYWUVZBY-UHFFFAOYSA-N 0 3 365.502 3.480 20 30 FGEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1cccc(OCCCC#N)c1 ZINC000067122916 494478939 /nfs/dbraw/zinc/47/89/39/494478939.db2.gz BOWYZNMDKJCLKM-OAQYLSRUSA-N 0 3 365.477 3.158 20 30 FGEDHN C=CCOCCCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000079732321 494518094 /nfs/dbraw/zinc/51/80/94/494518094.db2.gz VZRMPDZFECIQOH-UHFFFAOYSA-N 0 3 357.498 3.140 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCSC3(CCCCC3)C2)cc1 ZINC000079771452 494523607 /nfs/dbraw/zinc/52/36/07/494523607.db2.gz WULITVSFWXVXEL-SFHVURJKSA-N 0 3 360.523 3.244 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868656 494709101 /nfs/dbraw/zinc/70/91/01/494709101.db2.gz FCHXYVLUIAFFHK-OAQYLSRUSA-N 0 3 354.425 3.412 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868655 494709867 /nfs/dbraw/zinc/70/98/67/494709867.db2.gz FCHXYVLUIAFFHK-NRFANRHFSA-N 0 3 354.425 3.412 20 30 FGEDHN COc1ccc(CN2CCC(c3n[nH]c(C)n3)CC2)cc1OCCCC#N ZINC000092736934 494730843 /nfs/dbraw/zinc/73/08/43/494730843.db2.gz MDQYPWWBQNBTID-UHFFFAOYSA-N 0 3 369.469 3.184 20 30 FGEDHN COc1ccc(CN2CCC(c3nc(C)n[nH]3)CC2)cc1OCCCC#N ZINC000092736934 494730846 /nfs/dbraw/zinc/73/08/46/494730846.db2.gz MDQYPWWBQNBTID-UHFFFAOYSA-N 0 3 369.469 3.184 20 30 FGEDHN COC(=O)[C@H](C)CN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000091986809 494744867 /nfs/dbraw/zinc/74/48/67/494744867.db2.gz WWQQUDCXGCQSDA-MRXNPFEDSA-N 0 3 352.434 3.378 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000075437175 494764096 /nfs/dbraw/zinc/76/40/96/494764096.db2.gz NOWKKDLTGXMKNK-FQEVSTJZSA-N 0 3 366.440 3.334 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NCCN2CCC[C@H](C)C2)c1C#N ZINC000068122162 494769017 /nfs/dbraw/zinc/76/90/17/494769017.db2.gz ZABWCYMGRREMNP-ZDUSSCGKSA-N 0 3 358.511 3.014 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCOc3cccc(F)c3)CC2)c1 ZINC000116402171 494773828 /nfs/dbraw/zinc/77/38/28/494773828.db2.gz XHCOALLUBVZNSC-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000075504474 494779281 /nfs/dbraw/zinc/77/92/81/494779281.db2.gz IOBIJDNIMCNDFF-QGZVFWFLSA-N 0 3 362.477 3.191 20 30 FGEDHN N#Cc1ccc2nc(NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)ccc2c1 ZINC000092940175 494792138 /nfs/dbraw/zinc/79/21/38/494792138.db2.gz XDIUJURMWLEKKM-WOJBJXKFSA-N 0 3 358.445 3.154 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000093017040 494809973 /nfs/dbraw/zinc/80/99/73/494809973.db2.gz TZYOWEPLFFFUPR-SFHVURJKSA-N 0 3 364.917 3.449 20 30 FGEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000026329645 494819317 /nfs/dbraw/zinc/81/93/17/494819317.db2.gz UPWIVUZLMSMLQH-UHFFFAOYSA-N 0 3 352.394 3.236 20 30 FGEDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2sccc2C#N)c1 ZINC000109014961 494821525 /nfs/dbraw/zinc/82/15/25/494821525.db2.gz IDYHOXHGMXKYEE-GFCCVEGCSA-N 0 3 356.451 3.258 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000126781228 494837416 /nfs/dbraw/zinc/83/74/16/494837416.db2.gz VRNCAWZQDXNDIM-UHFFFAOYSA-N 0 3 362.421 3.002 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000121726502 494846298 /nfs/dbraw/zinc/84/62/98/494846298.db2.gz LFSUHNATDWEVMF-HXUWFJFHSA-N 0 3 373.541 3.128 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000109290535 494855534 /nfs/dbraw/zinc/85/55/34/494855534.db2.gz KXPRLLDNOJJTEA-XLIONFOSSA-N 0 3 357.498 3.198 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)c2ccccc2OCC#N)cc1Cl ZINC000116817228 494856838 /nfs/dbraw/zinc/85/68/38/494856838.db2.gz HWOPCXSTJABPKG-UHFFFAOYSA-N 0 3 373.840 3.435 20 30 FGEDHN CCCC[N-]C(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccccc1 ZINC000027325638 494861389 /nfs/dbraw/zinc/86/13/89/494861389.db2.gz OKAPETCUBLVAON-UHFFFAOYSA-O 0 3 372.514 3.450 20 30 FGEDHN N#CC(=C([O-])c1cccc(OC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000122111382 494925428 /nfs/dbraw/zinc/92/54/28/494925428.db2.gz JKLHQHCOPFGVCP-ZDUSSCGKSA-N 0 3 364.327 3.393 20 30 FGEDHN N#CC(C(=O)c1cccc(OC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000122111382 494925432 /nfs/dbraw/zinc/92/54/32/494925432.db2.gz JKLHQHCOPFGVCP-ZDUSSCGKSA-N 0 3 364.327 3.393 20 30 FGEDHN C=C(C)COc1cc(CN2CC[C@@H](Cc3cnn(C)c3)C2)ccc1OC ZINC000093870639 494929476 /nfs/dbraw/zinc/92/94/76/494929476.db2.gz DOVWRAISKTWHPZ-SFHVURJKSA-N 0 3 355.482 3.448 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNc2cccc(F)c2C#N)CC1 ZINC000110196534 494956769 /nfs/dbraw/zinc/95/67/69/494956769.db2.gz KKRAHRILJIBKRR-UHFFFAOYSA-N 0 3 352.457 3.447 20 30 FGEDHN CCOc1cccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000122822068 495035821 /nfs/dbraw/zinc/03/58/21/495035821.db2.gz VNBVNSCJMMYNJI-UHFFFAOYSA-N 0 3 350.466 3.060 20 30 FGEDHN C=CCNc1ncc(C(=O)N(CC)Cc2ccc(CN(C)C)cc2)s1 ZINC000128562165 495116660 /nfs/dbraw/zinc/11/66/60/495116660.db2.gz XBQNQZPPMYNNNG-UHFFFAOYSA-N 0 3 358.511 3.465 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC000119282886 495133727 /nfs/dbraw/zinc/13/37/27/495133727.db2.gz TUGZRYASTXYTLU-UHFFFAOYSA-N 0 3 371.525 3.119 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@H](c2ccco2)C1)C(C)C ZINC000128828056 495156414 /nfs/dbraw/zinc/15/64/14/495156414.db2.gz SRDQLOSEHOKTHG-MJGOQNOKSA-N 0 3 361.486 3.061 20 30 FGEDHN N#Cc1cc(Oc2ccc(NC(=O)NCCN3CCCCC3)cc2)ccn1 ZINC000571573446 505764446 /nfs/dbraw/zinc/76/44/46/505764446.db2.gz SETOEIJJRAVBLR-UHFFFAOYSA-N 0 3 365.437 3.353 20 30 FGEDHN C[C@@]1(NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN(Cc2ccccc2)C1 ZINC000574404998 505765639 /nfs/dbraw/zinc/76/56/39/505765639.db2.gz XKSFPDYKSMHHCM-LJQANCHMSA-N 0 3 369.856 3.393 20 30 FGEDHN COc1ccc(C2(CN[C@H](C)C(=O)N(C)CCC#N)CCCCC2)cc1 ZINC000112536045 495201811 /nfs/dbraw/zinc/20/18/11/495201811.db2.gz XOKGHMSGVVQYBC-QGZVFWFLSA-N 0 3 357.498 3.247 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134886608 495215434 /nfs/dbraw/zinc/21/54/34/495215434.db2.gz NULNGEVMYGXEBY-BEFAXECRSA-N 0 3 372.900 3.099 20 30 FGEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000135104146 495251364 /nfs/dbraw/zinc/25/13/64/495251364.db2.gz UQZZDVYAJFNQBL-OAHLLOKOSA-N 0 3 371.506 3.328 20 30 FGEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H](O)COCc1ccccc1 ZINC000135222755 495265056 /nfs/dbraw/zinc/26/50/56/495265056.db2.gz ZKMGLQQTBRYCQR-HXUWFJFHSA-N 0 3 352.478 3.497 20 30 FGEDHN CN(C(=O)c1ccccc1OCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000113094363 495274700 /nfs/dbraw/zinc/27/47/00/495274700.db2.gz IIFRRIYPLNKFGZ-UHFFFAOYSA-N 0 3 363.461 3.326 20 30 FGEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000104394444 495281728 /nfs/dbraw/zinc/28/17/28/495281728.db2.gz ZAIOYKZRZRQAMP-HXUWFJFHSA-N 0 3 351.450 3.287 20 30 FGEDHN CC(C)[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCCCC1 ZINC000104488217 495286397 /nfs/dbraw/zinc/28/63/97/495286397.db2.gz KSTFWEDQTPSJCS-NRFANRHFSA-N 0 3 369.509 3.439 20 30 FGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000577684469 505775271 /nfs/dbraw/zinc/77/52/71/505775271.db2.gz HLPUCRTVSNWPJP-XOBRGWDASA-N 0 3 369.490 3.147 20 30 FGEDHN CC(C)C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)N(C)C ZINC000120490297 495390140 /nfs/dbraw/zinc/39/01/40/495390140.db2.gz QZVFGSGPRFZSFA-QGZVFWFLSA-N 0 3 369.465 3.436 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000106037647 495406328 /nfs/dbraw/zinc/40/63/28/495406328.db2.gz PPDRNMWPGPVCBH-UHFFFAOYSA-N 0 3 353.466 3.431 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CCC1CCOCC1 ZINC000120660788 495429855 /nfs/dbraw/zinc/42/98/55/495429855.db2.gz WYVDTECJKGWRAK-QGZVFWFLSA-N 0 3 373.497 3.079 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(N3CCCCC3=O)c2)CC1 ZINC000106319787 495443961 /nfs/dbraw/zinc/44/39/61/495443961.db2.gz GHNJPEQPGPYAPA-UHFFFAOYSA-N 0 3 370.497 3.366 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000106340599 495446300 /nfs/dbraw/zinc/44/63/00/495446300.db2.gz KOQSYJWIVOOYDN-LJQANCHMSA-N 0 3 361.486 3.011 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc[nH]2)c(OC)c1 ZINC000125787545 495498771 /nfs/dbraw/zinc/49/87/71/495498771.db2.gz OQSNRDUWXCSUDF-IEBWSBKVSA-N 0 3 356.466 3.329 20 30 FGEDHN CCc1nnc(N2CCN(c3ccnc4ccccc43)CC2)c(C#N)c1CC ZINC000580558627 505786569 /nfs/dbraw/zinc/78/65/69/505786569.db2.gz HAAZYYNXMUXZFH-UHFFFAOYSA-N 0 3 372.476 3.348 20 30 FGEDHN CSCC[N-]C(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccccc1 ZINC000131306160 495519534 /nfs/dbraw/zinc/51/95/34/495519534.db2.gz QYTZXFYWCMHZGA-UHFFFAOYSA-O 0 3 359.540 3.482 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)CC1 ZINC000182407169 495551920 /nfs/dbraw/zinc/55/19/20/495551920.db2.gz SHVSHHCNAXXGNK-UHFFFAOYSA-N 0 3 363.889 3.294 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000574512318 505789159 /nfs/dbraw/zinc/78/91/59/505789159.db2.gz PIQYJNMYZPOEQH-GJZGRUSLSA-N 0 3 374.428 3.290 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCN1C ZINC000173652130 495634756 /nfs/dbraw/zinc/63/47/56/495634756.db2.gz AWKHQTFBTCFNCT-WMLDXEAASA-N 0 3 367.415 3.181 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)CC1 ZINC000176499172 495674567 /nfs/dbraw/zinc/67/45/67/495674567.db2.gz CZEICBZMHQLTNI-OAQYLSRUSA-N 0 3 371.525 3.070 20 30 FGEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179650152 495676449 /nfs/dbraw/zinc/67/64/49/495676449.db2.gz DUVLVZWVDNAUAF-INIZCTEOSA-N 0 3 366.436 3.185 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182845891 495725926 /nfs/dbraw/zinc/72/59/26/495725926.db2.gz HWSFJDHHQHVBEP-OAHLLOKOSA-N 0 3 364.371 3.489 20 30 FGEDHN CNC(=O)C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000179825729 495750776 /nfs/dbraw/zinc/75/07/76/495750776.db2.gz ZUKPEENHZQUMTE-UHFFFAOYSA-N 0 3 363.461 3.095 20 30 FGEDHN C[C@@H](CO[C@H]1CCOC1)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000151184347 495764256 /nfs/dbraw/zinc/76/42/56/495764256.db2.gz WFHYGUTUFSULSQ-JTSKRJEESA-N 0 3 366.461 3.421 20 30 FGEDHN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000179913573 495780270 /nfs/dbraw/zinc/78/02/70/495780270.db2.gz DMQNNBQAKDLMON-ZFWWWQNUSA-N 0 3 353.426 3.067 20 30 FGEDHN C[C@@H](CO[C@H]1CCOC1)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000151259271 495786874 /nfs/dbraw/zinc/78/68/74/495786874.db2.gz WIDNNUBRFRBAHJ-JTSKRJEESA-N 0 3 366.461 3.421 20 30 FGEDHN CC[C@H]1Oc2cc([C@@H](C)NCCOc3ccccc3C#N)ccc2NC1=O ZINC000180031975 495829583 /nfs/dbraw/zinc/82/95/83/495829583.db2.gz DRVYMJFZCAJONU-RDTXWAMCSA-N 0 3 365.433 3.397 20 30 FGEDHN CC[C@H]1Oc2cc([C@@H](C)NC[C@H](O)c3ccc(C#N)cc3)ccc2NC1=O ZINC000180033502 495831845 /nfs/dbraw/zinc/83/18/45/495831845.db2.gz MFFNPDDSGRXDBF-ZNZDAUKMSA-N 0 3 365.433 3.052 20 30 FGEDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000183105755 495837029 /nfs/dbraw/zinc/83/70/29/495837029.db2.gz NRSQGDVSRTYGRF-LIRRHRJNSA-N 0 3 365.433 3.119 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000180058801 495839895 /nfs/dbraw/zinc/83/98/95/495839895.db2.gz PLTCLGRUZXZACJ-INIZCTEOSA-N 0 3 352.438 3.231 20 30 FGEDHN CCC[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000183140671 495852187 /nfs/dbraw/zinc/85/21/87/495852187.db2.gz GOIKCLNYRJDVHT-PMACEKPBSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000180208769 495908119 /nfs/dbraw/zinc/90/81/19/495908119.db2.gz PEBROBIMSLHZDI-CQSZACIVSA-N 0 3 374.448 3.300 20 30 FGEDHN Cn1cc(CNC[C@](C)(O)c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000180235810 495919039 /nfs/dbraw/zinc/91/90/39/495919039.db2.gz WFOKOZFOTXKMPK-IBGZPJMESA-N 0 3 352.463 3.018 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1C#N ZINC000174374928 495932858 /nfs/dbraw/zinc/93/28/58/495932858.db2.gz ADAVFLNYQMCDPA-HZPDHXFCSA-N 0 3 359.433 3.422 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccc(F)cc3)n2)CC1 ZINC000180287248 495937827 /nfs/dbraw/zinc/93/78/27/495937827.db2.gz BQVAFUUSXJAJKH-UHFFFAOYSA-N 0 3 356.445 3.090 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000174415983 495949026 /nfs/dbraw/zinc/94/90/26/495949026.db2.gz CLLQGFMVKDEZLP-KRWDZBQOSA-N 0 3 369.415 3.365 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151917328 495992019 /nfs/dbraw/zinc/99/20/19/495992019.db2.gz JQEQJNYBKMBDFI-ZWKOTPCHSA-N 0 3 353.422 3.068 20 30 FGEDHN C=C(C)C[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000151922267 495992659 /nfs/dbraw/zinc/99/26/59/495992659.db2.gz TWCROCJMTYPDOW-UHFFFAOYSA-O 0 3 371.530 3.110 20 30 FGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)[nH]1 ZINC000151944847 496000129 /nfs/dbraw/zinc/00/01/29/496000129.db2.gz JPAIRQRATVPLEU-GOSISDBHSA-N 0 3 374.448 3.091 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000171712359 496000759 /nfs/dbraw/zinc/00/07/59/496000759.db2.gz UJARMEVVIQWDSR-OAHLLOKOSA-N 0 3 370.497 3.046 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000171715438 496003001 /nfs/dbraw/zinc/00/30/01/496003001.db2.gz DBUBJCYMNQGPMN-UHFFFAOYSA-N 0 3 360.461 3.406 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000171715546 496003113 /nfs/dbraw/zinc/00/31/13/496003113.db2.gz NTMXAJCMJVLUPQ-UHFFFAOYSA-N 0 3 362.901 3.155 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)[C@H](C)CC)c2)CC1 ZINC000171717545 496004536 /nfs/dbraw/zinc/00/45/36/496004536.db2.gz ZNLKSCYQRXNFMV-MRXNPFEDSA-N 0 3 372.513 3.121 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000171717994 496004756 /nfs/dbraw/zinc/00/47/56/496004756.db2.gz PZWLIIAIKDEVKF-UHFFFAOYSA-N 0 3 371.403 3.034 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000171722473 496007208 /nfs/dbraw/zinc/00/72/08/496007208.db2.gz HINSMBPPXXYKGR-UHFFFAOYSA-N 0 3 359.470 3.258 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2ccccc2C(F)(F)F)CC1 ZINC000171740673 496015775 /nfs/dbraw/zinc/01/57/75/496015775.db2.gz AQODRKYGILBPLK-UHFFFAOYSA-N 0 3 371.403 3.034 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OC[C@H]2CCCCO2)CC1 ZINC000171741795 496016204 /nfs/dbraw/zinc/01/62/04/496016204.db2.gz HTLPZVNLCZGVGK-GOSISDBHSA-N 0 3 373.497 3.406 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000155698281 496039629 /nfs/dbraw/zinc/03/96/29/496039629.db2.gz OSZMYYZDIHQQGV-UHFFFAOYSA-N 0 3 369.490 3.283 20 30 FGEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1ccccn1 ZINC000155704340 496041351 /nfs/dbraw/zinc/04/13/51/496041351.db2.gz UDKIPRZDHDWTLN-OAHLLOKOSA-N 0 3 374.400 3.361 20 30 FGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000180551226 496041528 /nfs/dbraw/zinc/04/15/28/496041528.db2.gz DQFWUVSUASLETH-HNNXBMFYSA-N 0 3 351.406 3.396 20 30 FGEDHN COc1ccc(NC(=O)C[C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180559075 496044476 /nfs/dbraw/zinc/04/44/76/496044476.db2.gz UGFRLXRHSDDGCQ-HNNXBMFYSA-N 0 3 353.422 3.104 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000174652300 496047450 /nfs/dbraw/zinc/04/74/50/496047450.db2.gz RBZHFKZPEKCAOO-LADGPHEKSA-N 0 3 373.500 3.353 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155915186 496105703 /nfs/dbraw/zinc/10/57/03/496105703.db2.gz LUUDUORUZZWWNB-HDICACEKSA-N 0 3 371.525 3.278 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000180722843 496119110 /nfs/dbraw/zinc/11/91/10/496119110.db2.gz HGVCGGLGDDQSLS-MRXNPFEDSA-N 0 3 360.498 3.039 20 30 FGEDHN CN(CCCOc1cccc(S(C)(=O)=O)c1)CCCC(C)(C)C#N ZINC000174836343 496127589 /nfs/dbraw/zinc/12/75/89/496127589.db2.gz IINMMUDCOWIZMM-UHFFFAOYSA-N 0 3 352.500 3.121 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@H]1C ZINC000568992462 505825729 /nfs/dbraw/zinc/82/57/29/505825729.db2.gz LDOHJGNVBUPCOJ-HUUCEWRRSA-N 0 3 350.470 3.071 20 30 FGEDHN C[C@@H](NCc1cc(C#N)cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177696721 496162790 /nfs/dbraw/zinc/16/27/90/496162790.db2.gz GEEIWNUADBAVQE-CQSZACIVSA-N 0 3 358.486 3.361 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000156304733 496211693 /nfs/dbraw/zinc/21/16/93/496211693.db2.gz NMPQVURCJTZNRX-RTWAWAEBSA-N 0 3 354.425 3.176 20 30 FGEDHN CCN1CCC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000172217000 496213413 /nfs/dbraw/zinc/21/34/13/496213413.db2.gz PQMXJDOYKREGGJ-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000172244945 496225093 /nfs/dbraw/zinc/22/50/93/496225093.db2.gz RZDQJAPNGYYULK-UHFFFAOYSA-N 0 3 362.477 3.364 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cc1 ZINC000156512159 496265617 /nfs/dbraw/zinc/26/56/17/496265617.db2.gz LFFNAAJNUAAKKE-OAHLLOKOSA-N 0 3 364.371 3.213 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000181464992 496408391 /nfs/dbraw/zinc/40/83/91/496408391.db2.gz ALVRVXBZJGZKFN-BQFCYCMXSA-N 0 3 350.528 3.134 20 30 FGEDHN NC(=NOCc1nccn1C(F)F)c1ccccc1CN1CCCCC1 ZINC000157110413 496408350 /nfs/dbraw/zinc/40/83/50/496408350.db2.gz VYNXMMXINPDNDC-UHFFFAOYSA-N 0 3 363.412 3.101 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000157538247 496498816 /nfs/dbraw/zinc/49/88/16/496498816.db2.gz UVCMUGQSUGPYRW-UHFFFAOYSA-N 0 3 350.466 3.080 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)CNc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000164395580 496609488 /nfs/dbraw/zinc/60/94/88/496609488.db2.gz LWHQKKNHBXOGDO-LAUBAEHRSA-N 0 3 362.477 3.139 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CSc2nccc3ccccc32)CC1 ZINC000164415693 496611099 /nfs/dbraw/zinc/61/10/99/496611099.db2.gz KYPWDTAFKQOCSD-UHFFFAOYSA-N 0 3 355.507 3.484 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000187965190 496633881 /nfs/dbraw/zinc/63/38/81/496633881.db2.gz YIWSEFJEXZLAAN-RXVVDRJESA-N 0 3 374.525 3.231 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CNC2(CO)CCCC2)c1C#N ZINC000179063976 496662778 /nfs/dbraw/zinc/66/27/78/496662778.db2.gz JBLWGUKQGSZKDI-UHFFFAOYSA-N 0 3 372.513 3.315 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179157989 496696423 /nfs/dbraw/zinc/69/64/23/496696423.db2.gz ZQHDOKJVEXLYCS-CTNGQTDRSA-N 0 3 365.477 3.496 20 30 FGEDHN C#CCN1CCC(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000188159553 496705060 /nfs/dbraw/zinc/70/50/60/496705060.db2.gz ZNWQPBVHTZBXRZ-UHFFFAOYSA-N 0 3 364.411 3.198 20 30 FGEDHN Cc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(O)c1C ZINC000277382329 496754910 /nfs/dbraw/zinc/75/49/10/496754910.db2.gz XTJBVGGEJWXVSF-JXFKEZNVSA-N 0 3 363.461 3.332 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000195235761 496855957 /nfs/dbraw/zinc/85/59/57/496855957.db2.gz IBXFEXAJEJJOLZ-UHFFFAOYSA-N 0 3 367.409 3.062 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000569187168 505871726 /nfs/dbraw/zinc/87/17/26/505871726.db2.gz UPSHXYYATUNYAI-MHYXUVESSA-N 0 3 357.498 3.187 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000264444388 496901935 /nfs/dbraw/zinc/90/19/35/496901935.db2.gz LTZCTYUHUALZIQ-IAGOWNOFSA-N 0 3 372.513 3.072 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nccs2)C1 ZINC000195403287 496913083 /nfs/dbraw/zinc/91/30/83/496913083.db2.gz XIOMFUMOMCKCMA-ZWKOTPCHSA-N 0 3 358.507 3.491 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264512433 496917268 /nfs/dbraw/zinc/91/72/68/496917268.db2.gz UESQWAOFGWQMHD-AWEZNQCLSA-N 0 3 363.483 3.232 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192064896 496982956 /nfs/dbraw/zinc/98/29/56/496982956.db2.gz KMFZSKGAEHPBGT-DFQSSKMNSA-N 0 3 372.852 3.071 20 30 FGEDHN Cc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000189087679 497003994 /nfs/dbraw/zinc/00/39/94/497003994.db2.gz HNSBTDXGRIBXOY-UTKZUKDTSA-N 0 3 363.461 3.349 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192143433 497010850 /nfs/dbraw/zinc/01/08/50/497010850.db2.gz KMTNIDQBUPYWSM-ICSRJNTNSA-N 0 3 371.387 3.285 20 30 FGEDHN C=C(C)C[N-]C(=S)C(C(=O)c1nccs1)[n+]1ccc(CCC)cc1 ZINC000278245938 497049058 /nfs/dbraw/zinc/04/90/58/497049058.db2.gz LYBXBOIQYAZVFY-UHFFFAOYSA-O 0 3 360.528 3.488 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000278321442 497074840 /nfs/dbraw/zinc/07/48/40/497074840.db2.gz VPTFLPBFFRHBMB-WOJBJXKFSA-N 0 3 357.498 3.137 20 30 FGEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3cccc(Cl)c3)C2)nc1 ZINC000580988560 505884040 /nfs/dbraw/zinc/88/40/40/505884040.db2.gz OKEUIPGWGHHRSO-KRWDZBQOSA-N 0 3 370.840 3.089 20 30 FGEDHN Cc1cc(C[NH+](C)C)cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000270391164 497117706 /nfs/dbraw/zinc/11/77/06/497117706.db2.gz RPVZESIGRTYMLU-UHFFFAOYSA-N 0 3 366.465 3.217 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000189438920 497118403 /nfs/dbraw/zinc/11/84/03/497118403.db2.gz GXWOOJKOZUZVHP-AWEZNQCLSA-N 0 3 373.451 3.070 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000248885392 497126072 /nfs/dbraw/zinc/12/60/72/497126072.db2.gz LZSIXFCGHCMUOS-VNHYZAJKSA-N 0 3 351.372 3.483 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(c3ncc[nH]3)CC1)CCC2 ZINC000265475556 497126122 /nfs/dbraw/zinc/12/61/22/497126122.db2.gz JGSXAEMPKZXGJF-UHFFFAOYSA-N 0 3 369.494 3.040 20 30 FGEDHN CN1CC[C@H](NC(=O)Nc2cccc(OCC#N)c2)[C@@H]1c1ccccc1 ZINC000270491781 497139368 /nfs/dbraw/zinc/13/93/68/497139368.db2.gz JLGAUPCGZYLXRK-OALUTQOASA-N 0 3 350.422 3.156 20 30 FGEDHN C=CCOc1c(Br)cc(CNCCC[C@H](C)O)cc1OC ZINC000278692857 497191463 /nfs/dbraw/zinc/19/14/63/497191463.db2.gz QERFAUBNPLQAGA-LBPRGKRZSA-N 0 3 358.276 3.273 20 30 FGEDHN C#CCOc1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000274961377 497207114 /nfs/dbraw/zinc/20/71/14/497207114.db2.gz ULWYCYPNIBPCOJ-UHFFFAOYSA-N 0 3 350.466 3.006 20 30 FGEDHN C=CCOc1c(Br)cc(CNCCCCO)cc1OCC ZINC000278811465 497228061 /nfs/dbraw/zinc/22/80/61/497228061.db2.gz SLGIXQYZJIZWIA-UHFFFAOYSA-N 0 3 358.276 3.275 20 30 FGEDHN N#CC(CCN1CC[C@@]2(CNC(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000278828378 497234348 /nfs/dbraw/zinc/23/43/48/497234348.db2.gz IDEVMBISGRVDIN-JOCHJYFZSA-N 0 3 359.473 3.098 20 30 FGEDHN CCN1CC[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C)C1 ZINC000278940464 497275254 /nfs/dbraw/zinc/27/52/54/497275254.db2.gz CXDVFYICJVMOOI-RDTXWAMCSA-N 0 3 352.438 3.016 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)C(C)C ZINC000252664104 497316937 /nfs/dbraw/zinc/31/69/37/497316937.db2.gz UVHYVERUBIYFMU-ZCNNSNEGSA-N 0 3 373.545 3.174 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N3CCCC[C@@H](N4CCCC4)C3)on2)c1 ZINC000279120512 497339532 /nfs/dbraw/zinc/33/95/32/497339532.db2.gz WAUXBBMZFTYKJA-GOSISDBHSA-N 0 3 364.449 3.304 20 30 FGEDHN COc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1OCCCC#N ZINC000271416706 497343138 /nfs/dbraw/zinc/34/31/38/497343138.db2.gz LEEUSCWPZPWSGR-QGZVFWFLSA-N 0 3 360.454 3.153 20 30 FGEDHN C=CCCCCCN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000193346554 497356987 /nfs/dbraw/zinc/35/69/87/497356987.db2.gz VKALHEBTKQWAAO-UHFFFAOYSA-N 0 3 356.454 3.021 20 30 FGEDHN COc1ccc([C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C2CC2)cc1 ZINC000193349862 497357130 /nfs/dbraw/zinc/35/71/30/497357130.db2.gz PYBGMJUUKRGYJH-FQEVSTJZSA-N 0 3 355.482 3.421 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000190134932 497370787 /nfs/dbraw/zinc/37/07/87/497370787.db2.gz NEQIHBKIKPPEJA-IYBDPMFKSA-N 0 3 373.472 3.049 20 30 FGEDHN CCCCOc1ncccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279271519 497390086 /nfs/dbraw/zinc/39/00/86/497390086.db2.gz JEOJTWUZHHHUNF-IBGZPJMESA-N 0 3 362.433 3.131 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000193589623 497421674 /nfs/dbraw/zinc/42/16/74/497421674.db2.gz KBZBTUMIAJROFB-GOSISDBHSA-N 0 3 352.438 3.381 20 30 FGEDHN COc1cc([C@@H](C)NCCC(=O)N(C)CCC#N)ccc1OCC(C)C ZINC000271712245 497426172 /nfs/dbraw/zinc/42/61/72/497426172.db2.gz WAXQDYVUOVQXGC-MRXNPFEDSA-N 0 3 361.486 3.143 20 30 FGEDHN C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC#N)cc1 ZINC000271771759 497444331 /nfs/dbraw/zinc/44/43/31/497444331.db2.gz DGCRLPYVJPRZGF-PGRDOPGGSA-N 0 3 365.477 3.141 20 30 FGEDHN C[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000271777497 497447000 /nfs/dbraw/zinc/44/70/00/497447000.db2.gz KGJDCYLNFAYMTC-KRWDZBQOSA-N 0 3 362.477 3.125 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000275861358 497450758 /nfs/dbraw/zinc/45/07/58/497450758.db2.gz XUFSTXNDTITKCD-IBGZPJMESA-N 0 3 350.528 3.305 20 30 FGEDHN CCSc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccn1 ZINC000279957093 497602512 /nfs/dbraw/zinc/60/25/12/497602512.db2.gz HZBLRHJWSFSGAK-QGZVFWFLSA-N 0 3 350.447 3.064 20 30 FGEDHN COc1cc(NC(=O)CCN2CCC(C)(C#N)CC2)c(OC)cc1Cl ZINC000272499246 497645386 /nfs/dbraw/zinc/64/53/86/497645386.db2.gz DGOLJFLXUUZZNH-UHFFFAOYSA-N 0 3 365.861 3.311 20 30 FGEDHN COc1cccc([C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000194424674 497662588 /nfs/dbraw/zinc/66/25/88/497662588.db2.gz XGEWICIZPCLXNC-QGZVFWFLSA-N 0 3 365.477 3.261 20 30 FGEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000280185491 497674162 /nfs/dbraw/zinc/67/41/62/497674162.db2.gz DDJHXFRBVBARCP-HKUYNNGSSA-N 0 3 367.836 3.398 20 30 FGEDHN COc1cc(C#N)ccc1CN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569412819 505928086 /nfs/dbraw/zinc/92/80/86/505928086.db2.gz LHLYICXPNZSQCF-AZUAARDMSA-N 0 3 357.404 3.380 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000280573905 497792440 /nfs/dbraw/zinc/79/24/40/497792440.db2.gz KQFKCDLALNQORL-QGZVFWFLSA-N 0 3 364.440 3.067 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000280604020 497822830 /nfs/dbraw/zinc/82/28/30/497822830.db2.gz GDJHDGXWXCIXAC-VXKWHMMOSA-N 0 3 373.456 3.213 20 30 FGEDHN COc1ccccc1[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280613747 497826237 /nfs/dbraw/zinc/82/62/37/497826237.db2.gz XVIADPLOSUPEBW-RBUKOAKNSA-N 0 3 359.429 3.265 20 30 FGEDHN COc1ccccc1[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280613743 497827047 /nfs/dbraw/zinc/82/70/47/497827047.db2.gz XVIADPLOSUPEBW-OALUTQOASA-N 0 3 359.429 3.265 20 30 FGEDHN CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329682631 497868091 /nfs/dbraw/zinc/86/80/91/497868091.db2.gz XKGMMJXEUCYIGN-FJIDUMEYSA-N 0 3 357.502 3.055 20 30 FGEDHN C[C@@H]1C[C@H](Nc2cc(C(=O)NC3CC3)c3ccccc3n2)CN1C1CC1 ZINC000329687932 497870461 /nfs/dbraw/zinc/87/04/61/497870461.db2.gz FXVSSDFTWKPGAX-HIFRSBDPSA-N 0 3 350.466 3.161 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)CCC(=O)N2CCSc3ccccc32)CCN1C ZINC000329691502 497870824 /nfs/dbraw/zinc/87/08/24/497870824.db2.gz GRYSDHUNJRCRDV-HUUCEWRRSA-N 0 3 361.511 3.345 20 30 FGEDHN CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000569458560 505940822 /nfs/dbraw/zinc/94/08/22/505940822.db2.gz FMQNZWDXDOKJEZ-VXKWHMMOSA-N 0 3 361.489 3.492 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)CSc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000575209195 505942935 /nfs/dbraw/zinc/94/29/35/505942935.db2.gz OPWWEWQPXVZSTC-JXFKEZNVSA-N 0 3 365.502 3.430 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@@H](CCO)C2)c2ccccc2)CC1 ZINC000329807331 497907555 /nfs/dbraw/zinc/90/75/55/497907555.db2.gz LPWFBGQEUDCEMQ-AZUAARDMSA-N 0 3 359.514 3.078 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000329833632 497918384 /nfs/dbraw/zinc/91/83/84/497918384.db2.gz GPDBQHGNSUWOFS-OAHLLOKOSA-N 0 3 361.534 3.482 20 30 FGEDHN Cc1ccc2c(c1)[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000572357443 505949229 /nfs/dbraw/zinc/94/92/29/505949229.db2.gz WCMGTXWSHSMZRV-SIKLNZKXSA-N 0 3 350.462 3.468 20 30 FGEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000292228041 497930499 /nfs/dbraw/zinc/93/04/99/497930499.db2.gz KMKHGZOERLATFF-LJQANCHMSA-N 0 3 370.541 3.045 20 30 FGEDHN COc1cccc([C@@H](CNc2nnc(C)c(C)c2C#N)N2CCCC2)c1 ZINC000301059573 497932893 /nfs/dbraw/zinc/93/28/93/497932893.db2.gz CZLGMKATWOCNSB-LJQANCHMSA-N 0 3 351.454 3.223 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC000329875960 497936477 /nfs/dbraw/zinc/93/64/77/497936477.db2.gz HHBURIMDFPOBDA-NJAFHUGGSA-N 0 3 368.481 3.064 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@](C)(O)CC2)[C@H]1c1cccs1 ZINC000329909125 497949249 /nfs/dbraw/zinc/94/92/49/497949249.db2.gz MGYBKOIRAXLFEQ-AYBZRNKSSA-N 0 3 365.543 3.282 20 30 FGEDHN CC[C@H](CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCc2ccccc2C1 ZINC000329951429 497965944 /nfs/dbraw/zinc/96/59/44/497965944.db2.gz COYQEUCZFCYWCR-NCYKPQTJSA-N 0 3 371.525 3.285 20 30 FGEDHN CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1c1cccs1 ZINC000329997253 497985223 /nfs/dbraw/zinc/98/52/23/497985223.db2.gz QESDGXAXJWPUOV-IPYPFGDCSA-N 0 3 350.488 3.045 20 30 FGEDHN CCn1c2ccccc2nc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281015965 497989536 /nfs/dbraw/zinc/98/95/36/497989536.db2.gz VLEMMDIFLXONRN-MAUKXSAKSA-N 0 3 371.444 3.488 20 30 FGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000292384742 497995793 /nfs/dbraw/zinc/99/57/93/497995793.db2.gz XOTJJVLMZIMJSD-PKOBYXMFSA-N 0 3 371.481 3.420 20 30 FGEDHN O=C(Cn1cc2ccccc2n1)NCC1(N2CCSCC2)CCCC1 ZINC000330066491 498009956 /nfs/dbraw/zinc/00/99/56/498009956.db2.gz SXIWUAWTIBZEJH-UHFFFAOYSA-N 0 3 358.511 3.354 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000285223093 498026922 /nfs/dbraw/zinc/02/69/22/498026922.db2.gz AQGPYXDTQOJMAL-UHFFFAOYSA-N 0 3 363.461 3.319 20 30 FGEDHN O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)N1CCN2CCC[C@H]2C1 ZINC000330188752 498054077 /nfs/dbraw/zinc/05/40/77/498054077.db2.gz LJFUMDLDSZZYEU-AWEZNQCLSA-N 0 3 374.391 3.478 20 30 FGEDHN O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CCCCN1C1CCCC1 ZINC000330286800 498094130 /nfs/dbraw/zinc/09/41/30/498094130.db2.gz BVBWUNQTQIDVAZ-GOSISDBHSA-N 0 3 358.486 3.303 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000364696161 498094905 /nfs/dbraw/zinc/09/49/05/498094905.db2.gz LCCOPBMPIBTGRI-IBGZPJMESA-N 0 3 367.497 3.033 20 30 FGEDHN Cc1nnnn1-c1cccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000330338736 498110727 /nfs/dbraw/zinc/11/07/27/498110727.db2.gz VTYGTRVOBOMICZ-GOSISDBHSA-N 0 3 354.458 3.356 20 30 FGEDHN N#Cc1ccc(OC2CCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)c(F)c1 ZINC000285558597 498129577 /nfs/dbraw/zinc/12/95/77/498129577.db2.gz SHCARWDNEHHBJZ-TZIWHRDSSA-N 0 3 352.409 3.199 20 30 FGEDHN CCN1CCC(NC(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000330473692 498137978 /nfs/dbraw/zinc/13/79/78/498137978.db2.gz QMRKMWHYBYHZHE-UHFFFAOYSA-N 0 3 356.264 3.268 20 30 FGEDHN C[C@H](CNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000330497738 498143443 /nfs/dbraw/zinc/14/34/43/498143443.db2.gz YWFIMXIZNXTLFO-HZPDHXFCSA-N 0 3 367.534 3.075 20 30 FGEDHN CC(=O)SCCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281545157 498188935 /nfs/dbraw/zinc/18/89/35/498188935.db2.gz JUTFYTGJFNKPGL-GOSISDBHSA-N 0 3 357.479 3.197 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1C(F)F ZINC000330787170 498193955 /nfs/dbraw/zinc/19/39/55/498193955.db2.gz OQKUTMVRNZKETG-GFCCVEGCSA-N 0 3 355.433 3.453 20 30 FGEDHN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330919111 498218257 /nfs/dbraw/zinc/21/82/57/498218257.db2.gz XZCFKINVVIKBIA-VBQJREDUSA-N 0 3 365.905 3.268 20 30 FGEDHN Cc1cc(N2CCC(N(C)Cc3ccc(C#N)o3)CC2)nc(C(C)C)n1 ZINC000360076970 498243985 /nfs/dbraw/zinc/24/39/85/498243985.db2.gz RVXMIJXWCIPSLL-UHFFFAOYSA-N 0 3 353.470 3.474 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CCO[C@H]2C2CC2)ccc1Cl ZINC000365192821 498343829 /nfs/dbraw/zinc/34/38/29/498343829.db2.gz SNBDCYWIMXRQGM-MJGOQNOKSA-N 0 3 361.873 3.052 20 30 FGEDHN N#Cc1ccc2nc(NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)ccc2c1 ZINC000301965342 498347049 /nfs/dbraw/zinc/34/70/49/498347049.db2.gz XDIUJURMWLEKKM-VQTJNVASSA-N 0 3 358.445 3.154 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCc3ccccc32)cc1 ZINC000569799426 506019241 /nfs/dbraw/zinc/01/92/41/506019241.db2.gz PRWBIRKPRQSQLE-GOSISDBHSA-N 0 3 354.475 3.042 20 30 FGEDHN N#Cc1c(F)ccc(CNC2CCN(C(=O)c3ccco3)CC2)c1Cl ZINC000365241461 498369486 /nfs/dbraw/zinc/36/94/86/498369486.db2.gz BNMNDCFMQFELCA-UHFFFAOYSA-N 0 3 361.804 3.338 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCC[C@H]2CCO)c1 ZINC000286390744 498382450 /nfs/dbraw/zinc/38/24/50/498382450.db2.gz ZODNDKMKGBNBGF-CMKODMSKSA-N 0 3 357.498 3.079 20 30 FGEDHN N#Cc1ccc2nc(NCc3ccccc3CN3CC[C@H](O)C3)ccc2c1 ZINC000302072542 498397244 /nfs/dbraw/zinc/39/72/44/498397244.db2.gz ZHMQEEJTHXHSPM-FQEVSTJZSA-N 0 3 358.445 3.285 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000302193189 498436263 /nfs/dbraw/zinc/43/62/63/498436263.db2.gz WGVTZIXFGWAZGJ-UHFFFAOYSA-N 0 3 366.421 3.339 20 30 FGEDHN COc1cc([C@H](C)NCCOCCC#N)ccc1OCc1ccncc1 ZINC000293723661 498467871 /nfs/dbraw/zinc/46/78/71/498467871.db2.gz FXASYFRQZAXZPX-INIZCTEOSA-N 0 3 355.438 3.250 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000302610586 498516497 /nfs/dbraw/zinc/51/64/97/498516497.db2.gz BMMLUUNNRIONFM-CQSZACIVSA-N 0 3 354.420 3.263 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000302610583 498516788 /nfs/dbraw/zinc/51/67/88/498516788.db2.gz BMMLUUNNRIONFM-AWEZNQCLSA-N 0 3 354.420 3.263 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000302622394 498519497 /nfs/dbraw/zinc/51/94/97/498519497.db2.gz DUGIJJAOJVDAPG-CQSZACIVSA-N 0 3 354.420 3.263 20 30 FGEDHN CN1CCC[C@]2(CCN(C(=O)CCCCOc3cccc(C#N)c3)C2)C1 ZINC000293873954 498519724 /nfs/dbraw/zinc/51/97/24/498519724.db2.gz FJGRKNHDCVSDEH-NRFANRHFSA-N 0 3 355.482 3.052 20 30 FGEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(C#N)ccc1Cl ZINC000286824785 498520107 /nfs/dbraw/zinc/52/01/07/498520107.db2.gz UBQVTYKAISZHFD-UHFFFAOYSA-N 0 3 357.841 3.121 20 30 FGEDHN Cc1nc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)ccc1C#N ZINC000365537070 498520549 /nfs/dbraw/zinc/52/05/49/498520549.db2.gz OOPPZZORQVZOSK-MAUKXSAKSA-N 0 3 354.479 3.136 20 30 FGEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000286893744 498544147 /nfs/dbraw/zinc/54/41/47/498544147.db2.gz LGYHKOMNNLBLON-XLIONFOSSA-N 0 3 364.493 3.296 20 30 FGEDHN CN1CCN(CCCNc2c(C#N)cccc2C#N)[C@@H](c2ccccc2)C1 ZINC000302861603 498603207 /nfs/dbraw/zinc/60/32/07/498603207.db2.gz VLIYTIJYASTFON-OAQYLSRUSA-N 0 3 359.477 3.221 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000287122037 498637276 /nfs/dbraw/zinc/63/72/76/498637276.db2.gz AVINCUDXNPEHIZ-QGZVFWFLSA-N 0 3 361.486 3.105 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000332537479 498718244 /nfs/dbraw/zinc/71/82/44/498718244.db2.gz JCLPUGFLLUNWLQ-IRXDYDNUSA-N 0 3 370.497 3.220 20 30 FGEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291172904 498828907 /nfs/dbraw/zinc/82/89/07/498828907.db2.gz HFMPOPPIKKDBPA-MRXNPFEDSA-N 0 3 351.425 3.448 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000579116175 506097808 /nfs/dbraw/zinc/09/78/08/506097808.db2.gz JFCOFTJJGCQGKZ-UTKZUKDTSA-N 0 3 362.477 3.387 20 30 FGEDHN CNC(=O)[C@]1(C)CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000328599794 498870043 /nfs/dbraw/zinc/87/00/43/498870043.db2.gz CLLCTKPBBIGGQM-LJQANCHMSA-N 0 3 364.534 3.245 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2COc3c2cccc3Cl)cc1 ZINC000366375627 498899975 /nfs/dbraw/zinc/89/99/75/498899975.db2.gz KTONUJUUWNIAAF-RHSMWYFYSA-N 0 3 351.793 3.144 20 30 FGEDHN CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000328744230 498923774 /nfs/dbraw/zinc/92/37/74/498923774.db2.gz NUIBVILEOOQTIE-IRXDYDNUSA-N 0 3 358.486 3.052 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000366520702 498963626 /nfs/dbraw/zinc/96/36/26/498963626.db2.gz KVXIBMYNJCNEDT-SFHVURJKSA-N 0 3 363.465 3.295 20 30 FGEDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)N(C)C1 ZINC000328952025 498997181 /nfs/dbraw/zinc/99/71/81/498997181.db2.gz CTUPMZXGKSPDCQ-ZOBUZTSGSA-N 0 3 363.502 3.166 20 30 FGEDHN CN1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)[C@H]1c1ccccc1 ZINC000328977759 499004362 /nfs/dbraw/zinc/00/43/62/499004362.db2.gz WTYZVHVRRDCTOA-PNYFIKQUSA-N 0 3 370.497 3.177 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000366699083 499038034 /nfs/dbraw/zinc/03/80/34/499038034.db2.gz HZDBOTZLVNLSCN-IDCNUPLLSA-N 0 3 363.527 3.021 20 30 FGEDHN O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CCc2ccccc2C1 ZINC000329162052 499059437 /nfs/dbraw/zinc/05/94/37/499059437.db2.gz ZJPAOYTXNWCUGY-HXUWFJFHSA-N 0 3 364.493 3.359 20 30 FGEDHN Cc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)nnn1-c1ccc(C)cc1 ZINC000329203518 499072189 /nfs/dbraw/zinc/07/21/89/499072189.db2.gz YMYFXXOYDCBZRM-INIZCTEOSA-N 0 3 353.470 3.206 20 30 FGEDHN Cc1sc2nc(CCC(=O)NCC3=CCN(C)CC3)[nH]c(=O)c2c1C ZINC000329217290 499074932 /nfs/dbraw/zinc/07/49/32/499074932.db2.gz PXCCPWLBDPBFBD-UHFFFAOYSA-N 0 3 360.483 3.165 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 ZINC000366803298 499079541 /nfs/dbraw/zinc/07/95/41/499079541.db2.gz DIQMSSYCYHNLQH-RFVSGWPVSA-N 0 3 367.424 3.178 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000284274048 499080826 /nfs/dbraw/zinc/08/08/26/499080826.db2.gz NAUIPJAMSBAKGL-XLIONFOSSA-N 0 3 368.868 3.185 20 30 FGEDHN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000364043062 499096790 /nfs/dbraw/zinc/09/67/90/499096790.db2.gz QTUNUHRWANVZQO-KBXCAEBGSA-N 0 3 366.431 3.039 20 30 FGEDHN N#CC1(CCCN2CCCN(Cc3ccccc3F)CC2)CCOCC1 ZINC000366893370 499108521 /nfs/dbraw/zinc/10/85/21/499108521.db2.gz HELHCAUYHDUYHA-UHFFFAOYSA-N 0 3 359.489 3.434 20 30 FGEDHN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000329405457 499115946 /nfs/dbraw/zinc/11/59/46/499115946.db2.gz BTQPEDBMEPTBIX-WFASDCNBSA-N 0 3 360.483 3.185 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CCN1C ZINC000329436254 499121370 /nfs/dbraw/zinc/12/13/70/499121370.db2.gz LWFNIWGOYPPSRW-KOLCDFICSA-N 0 3 352.822 3.129 20 30 FGEDHN O=C(NCc1ccccc1)C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000329462561 499124609 /nfs/dbraw/zinc/12/46/09/499124609.db2.gz QFAQNDVVFDLFEW-GOSISDBHSA-N 0 3 370.497 3.006 20 30 FGEDHN C=CCC[C@H](C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000372503633 499135411 /nfs/dbraw/zinc/13/54/11/499135411.db2.gz NYYBOOWPMBCPHS-BVSLBCMMSA-N 0 3 369.553 3.221 20 30 FGEDHN C=CCN(C(=O)c1ccc(C#N)c(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372597299 499151388 /nfs/dbraw/zinc/15/13/88/499151388.db2.gz ABYWGFFTAQNPJA-HXUWFJFHSA-N 0 3 360.461 3.164 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(CC#N)CC1 ZINC000367208766 499161825 /nfs/dbraw/zinc/16/18/25/499161825.db2.gz XYULEAVJLOWEKI-GOSISDBHSA-N 0 3 354.498 3.280 20 30 FGEDHN COc1cccc(C2=CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)c1 ZINC000370033976 499169461 /nfs/dbraw/zinc/16/94/61/499169461.db2.gz VNRLCRGXBWQXQO-HXUWFJFHSA-N 0 3 357.413 3.175 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000370329714 499210313 /nfs/dbraw/zinc/21/03/13/499210313.db2.gz IUOBFIRWXFUSKX-INIZCTEOSA-N 0 3 355.388 3.183 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)c2ccccc2O1 ZINC000370503202 499226928 /nfs/dbraw/zinc/22/69/28/499226928.db2.gz PSACNLYFPUOBOK-MRXNPFEDSA-N 0 3 367.474 3.006 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000367889553 499242118 /nfs/dbraw/zinc/24/21/18/499242118.db2.gz BRZQZNPQQJBDFK-SNRMKQJTSA-N 0 3 363.889 3.062 20 30 FGEDHN Cc1nc(C)n(C[C@H]2CCCCN2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000371385097 499318845 /nfs/dbraw/zinc/31/88/45/499318845.db2.gz WARVBVLTXJHQEF-HNAYVOBHSA-N 0 3 353.470 3.241 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000371623715 499348265 /nfs/dbraw/zinc/34/82/65/499348265.db2.gz DLYSBVGUOKYYLQ-INIZCTEOSA-N 0 3 373.460 3.019 20 30 FGEDHN Cc1ncc(CN2CC[C@H](NCc3ccc(F)cc3C#N)[C@H](C)C2)s1 ZINC000368965606 499351333 /nfs/dbraw/zinc/35/13/33/499351333.db2.gz LGFDUBXIZSPBNK-YJYMSZOUSA-N 0 3 358.486 3.463 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000369111186 499366717 /nfs/dbraw/zinc/36/67/17/499366717.db2.gz NOKNAAIDRCNESK-PZJWPPBQSA-N 0 3 368.525 3.272 20 30 FGEDHN COCC(=O)N1CCCCC[C@H]1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000369137530 499369522 /nfs/dbraw/zinc/36/95/22/499369522.db2.gz NXMAODGUFKHFNB-NRFANRHFSA-N 0 3 369.509 3.188 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)cc1OC ZINC000372080215 499396781 /nfs/dbraw/zinc/39/67/81/499396781.db2.gz CGRUCVVNRPCLFS-RBUKOAKNSA-N 0 3 358.482 3.235 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369531590 499413637 /nfs/dbraw/zinc/41/36/37/499413637.db2.gz NRXNCXQHMAVEDH-MJGOQNOKSA-N 0 3 368.506 3.454 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cccnc1 ZINC000369556550 499417016 /nfs/dbraw/zinc/41/70/16/499417016.db2.gz NFAYCTSOEVVHIH-ICSRJNTNSA-N 0 3 362.477 3.306 20 30 FGEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)c1 ZINC000369660431 499433122 /nfs/dbraw/zinc/43/31/22/499433122.db2.gz ITZGTEKZFINFDC-HXUWFJFHSA-N 0 3 362.477 3.019 20 30 FGEDHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cccc(OCCCC#N)c1 ZINC000369759639 499441172 /nfs/dbraw/zinc/44/11/72/499441172.db2.gz ISENXEJPGBJWEW-NHCUHLMSSA-N 0 3 355.482 3.344 20 30 FGEDHN Cc1cnn(C2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000373241111 499459428 /nfs/dbraw/zinc/45/94/28/499459428.db2.gz VWADBVGSJGCWGY-UHFFFAOYSA-N 0 3 360.465 3.301 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2NCc2nccn2CCc2ccccc2)O1 ZINC000378452485 499518730 /nfs/dbraw/zinc/51/87/30/499518730.db2.gz GZEDDSYETQHSNA-XRXFAXGQSA-N 0 3 364.493 3.455 20 30 FGEDHN Cc1ncc(CN2CC[C@@H](NCC#Cc3ccc(F)cc3)[C@@H](C)C2)s1 ZINC000375505182 499526780 /nfs/dbraw/zinc/52/67/80/499526780.db2.gz ANSAARNSHRGXQN-MGPUTAFESA-N 0 3 357.498 3.442 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]21 ZINC000375519095 499527970 /nfs/dbraw/zinc/52/79/70/499527970.db2.gz IDWDSVYBDSBMHK-OXQOHEQNSA-N 0 3 350.466 3.111 20 30 FGEDHN C=CCN1CC[C@H](N2CCC(n3c(CC)nc4ccccc43)CC2)C1=O ZINC000375600106 499536767 /nfs/dbraw/zinc/53/67/67/499536767.db2.gz XLNGDKYLXQOBEH-IBGZPJMESA-N 0 3 352.482 3.023 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)c1 ZINC000375739781 499550424 /nfs/dbraw/zinc/55/04/24/499550424.db2.gz DDXWQXBDCGWCTD-UHFFFAOYSA-N 0 3 369.469 3.171 20 30 FGEDHN C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(CC)CC1 ZINC000570366996 506151082 /nfs/dbraw/zinc/15/10/82/506151082.db2.gz LKFXWKCXXKRBIB-UHFFFAOYSA-N 0 3 364.497 3.155 20 30 FGEDHN C=CCN(C(=O)N[C@@H]1CCC[C@@H]1CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000376233051 499593165 /nfs/dbraw/zinc/59/31/65/499593165.db2.gz RLHLUNHISRVRMS-QHAWAJNXSA-N 0 3 371.525 3.010 20 30 FGEDHN CCC[C@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000582176345 506151800 /nfs/dbraw/zinc/15/18/00/506151800.db2.gz OSUIGNPECZQYAT-LJQANCHMSA-N 0 3 356.491 3.333 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CC2)OCc2ccccc23)cc1 ZINC000377066660 499658614 /nfs/dbraw/zinc/65/86/14/499658614.db2.gz JLHDEBWNXDYSPK-FQEVSTJZSA-N 0 3 371.440 3.289 20 30 FGEDHN COC(=O)[C@H](C)[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411393109 499733571 /nfs/dbraw/zinc/73/35/71/499733571.db2.gz QRGVJKAAOSBFGP-QRWLVFNGSA-N 0 3 365.433 3.027 20 30 FGEDHN CCCN(CCN1CCCC1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411721238 499782922 /nfs/dbraw/zinc/78/29/22/499782922.db2.gz RXLKNLZVCPTJDO-SFHVURJKSA-N 0 3 374.504 3.269 20 30 FGEDHN C[C@H](CCCc1cccnc1)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411823109 499794824 /nfs/dbraw/zinc/79/48/24/499794824.db2.gz PHBHZLJFEKAFIE-PBHICJAKSA-N 0 3 354.479 3.121 20 30 FGEDHN CO[C@](C)([C@H](C)NCC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000411946834 499805453 /nfs/dbraw/zinc/80/54/53/499805453.db2.gz LWGJVRICDJHVOF-IFXJQAMLSA-N 0 3 363.889 3.380 20 30 FGEDHN CCO[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000413256379 499933187 /nfs/dbraw/zinc/93/31/87/499933187.db2.gz AQZJJPSDUQHFTA-NRFANRHFSA-N 0 3 365.477 3.226 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428984843 499974364 /nfs/dbraw/zinc/97/43/64/499974364.db2.gz YPNSTFYAVQBETP-ICSRJNTNSA-N 0 3 359.514 3.322 20 30 FGEDHN N#Cc1ccc(CNc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1F ZINC000421319057 500015932 /nfs/dbraw/zinc/01/59/32/500015932.db2.gz JUUPZCVOOBINSI-UHFFFAOYSA-N 0 3 366.440 3.007 20 30 FGEDHN C[C@H]1CN(Cc2cccc(CNCc3ccc(C#N)c(F)c3)c2)CCO1 ZINC000421319903 500016300 /nfs/dbraw/zinc/01/63/00/500016300.db2.gz BFGKHURSIZLFDL-INIZCTEOSA-N 0 3 353.441 3.208 20 30 FGEDHN CSC[C@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000429277681 500040757 /nfs/dbraw/zinc/04/07/57/500040757.db2.gz VXPOJVMODIQUGT-ISXWCOSWSA-N 0 3 351.560 3.381 20 30 FGEDHN C=CCN1CC[C@@H](N[C@@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000429365342 500061110 /nfs/dbraw/zinc/06/11/10/500061110.db2.gz INXGOAHKPZFPGR-HZPDHXFCSA-N 0 3 363.299 3.449 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429371004 500062135 /nfs/dbraw/zinc/06/21/35/500062135.db2.gz HAFYMSHLZUMYKQ-IAQYHMDHSA-N 0 3 351.288 3.353 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000429476404 500083818 /nfs/dbraw/zinc/08/38/18/500083818.db2.gz UTPNCRJLDULWDS-OALUTQOASA-N 0 3 363.546 3.454 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000425408555 500096239 /nfs/dbraw/zinc/09/62/39/500096239.db2.gz SNHPTUOYNYSRPH-ICSRJNTNSA-N 0 3 357.498 3.063 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000421702080 500121966 /nfs/dbraw/zinc/12/19/66/500121966.db2.gz JIRVUJXESZBQHB-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000425533449 500134906 /nfs/dbraw/zinc/13/49/06/500134906.db2.gz DREPEODZIXHNTP-OAHLLOKOSA-N 0 3 350.422 3.289 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000425860573 500205994 /nfs/dbraw/zinc/20/59/94/500205994.db2.gz UEIIMXNNMHMTJO-WJMWBRGCSA-N 0 3 371.525 3.445 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@](C)(O)C2)cc1OCC ZINC000418107333 500230669 /nfs/dbraw/zinc/23/06/69/500230669.db2.gz DLFBIGMBDPHSDZ-XFHMXUHZSA-N 0 3 370.287 3.416 20 30 FGEDHN C[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000430407735 500236641 /nfs/dbraw/zinc/23/66/41/500236641.db2.gz XQFCDNQPGAACLH-BULFRSBZSA-N 0 3 361.489 3.498 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418648546 500300724 /nfs/dbraw/zinc/30/07/24/500300724.db2.gz ZPFQVDTXIFMCJT-OAQYLSRUSA-N 0 3 365.477 3.280 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000431616888 500398619 /nfs/dbraw/zinc/39/86/19/500398619.db2.gz KAOWXAHHBZUIGC-FQEVSTJZSA-N 0 3 371.506 3.462 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000424082623 500449660 /nfs/dbraw/zinc/44/96/60/500449660.db2.gz AGYLZNRDHIJMTJ-IBGZPJMESA-N 0 3 355.413 3.042 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000424095556 500452528 /nfs/dbraw/zinc/45/25/28/500452528.db2.gz XGCVAUAAVZCDHD-QZTJIDSGSA-N 0 3 355.413 3.083 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000424101986 500453273 /nfs/dbraw/zinc/45/32/73/500453273.db2.gz QBSUNPHAOZLQQG-HXUWFJFHSA-N 0 3 351.450 3.041 20 30 FGEDHN COc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)c2ccc(C)cc2)cc1 ZINC000424109148 500454763 /nfs/dbraw/zinc/45/47/63/500454763.db2.gz ZJLTXEKGBAAOTB-PMACEKPBSA-N 0 3 351.450 3.230 20 30 FGEDHN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@@H](N)CCCC#N ZINC000424110060 500455295 /nfs/dbraw/zinc/45/52/95/500455295.db2.gz CNQLGCMMDQIKOL-ROUUACIJSA-N 0 3 351.454 3.077 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000424137101 500459565 /nfs/dbraw/zinc/45/95/65/500459565.db2.gz OKOYXHLTZASCHA-ZDUSSCGKSA-N 0 3 354.376 3.265 20 30 FGEDHN Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)[C@H](N)CCCC#N)n2)c1 ZINC000424149483 500460529 /nfs/dbraw/zinc/46/05/29/500460529.db2.gz WMEBLHDRYPTURQ-SJLPKXTDSA-N 0 3 351.454 3.070 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000428034712 500460924 /nfs/dbraw/zinc/46/09/24/500460924.db2.gz UCRJBCPIBMQXDB-ZDUSSCGKSA-N 0 3 356.857 3.466 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000424190399 500465707 /nfs/dbraw/zinc/46/57/07/500465707.db2.gz OIFGHMRVZPWADK-CMPLNLGQSA-N 0 3 365.302 3.029 20 30 FGEDHN C[C@@]1(CNC(=O)c2ncc(C#N)cc2Cl)CCCN1Cc1ccccc1 ZINC000428326848 500496163 /nfs/dbraw/zinc/49/61/63/500496163.db2.gz PMSXCZUFPOQIDU-FQEVSTJZSA-N 0 3 368.868 3.391 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](CCO)CC2)c1 ZINC000421021021 500555764 /nfs/dbraw/zinc/55/57/64/500555764.db2.gz RXBSCHAFHZBBSI-WOJBJXKFSA-N 0 3 371.525 3.423 20 30 FGEDHN C=CCC1(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CCOCC1 ZINC000424830786 500569608 /nfs/dbraw/zinc/56/96/08/500569608.db2.gz HVLVPEFJBPTQFO-JOCHJYFZSA-N 0 3 368.521 3.484 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000437248434 500620456 /nfs/dbraw/zinc/62/04/56/500620456.db2.gz FYDRPVUAKMLOBZ-OXJNMPFZSA-N 0 3 369.465 3.120 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C ZINC000437518128 500654012 /nfs/dbraw/zinc/65/40/12/500654012.db2.gz LGDFRAUUPURWIN-CJNGLKHVSA-N 0 3 369.494 3.210 20 30 FGEDHN C=CC[C@H]1N(C(=O)NCCCN2CCCO[C@@H](C)C2)CCCC1(C)C ZINC000447810398 500667673 /nfs/dbraw/zinc/66/76/73/500667673.db2.gz INPAJVYKXLUJBA-ZWKOTPCHSA-N 0 3 351.535 3.264 20 30 FGEDHN C=CC[C@H]1N(C(=O)NCCCN2CCCO[C@H](C)C2)CCCC1(C)C ZINC000447810396 500667762 /nfs/dbraw/zinc/66/77/62/500667762.db2.gz INPAJVYKXLUJBA-QZTJIDSGSA-N 0 3 351.535 3.264 20 30 FGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433317679 500670835 /nfs/dbraw/zinc/67/08/35/500670835.db2.gz JHHMLUAJEIOTIX-YZGWKJHDSA-N 0 3 369.509 3.302 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000433319714 500671648 /nfs/dbraw/zinc/67/16/48/500671648.db2.gz PLWMFAUCDNSFPW-KRWDZBQOSA-N 0 3 368.868 3.156 20 30 FGEDHN COc1ccccc1O[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433363576 500681190 /nfs/dbraw/zinc/68/11/90/500681190.db2.gz HVBOKJDUEAQLMD-SJLPKXTDSA-N 0 3 352.434 3.351 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000433385431 500684916 /nfs/dbraw/zinc/68/49/16/500684916.db2.gz MPELHJKLXBHQQB-INIZCTEOSA-N 0 3 353.491 3.453 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000438451074 500787036 /nfs/dbraw/zinc/78/70/36/500787036.db2.gz GSJDEKWJXFMUSI-HKBOAZHASA-N 0 3 371.525 3.274 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000448818478 500843259 /nfs/dbraw/zinc/84/32/59/500843259.db2.gz MCIHABBEFAZPJD-SJORKVTESA-N 0 3 370.415 3.187 20 30 FGEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(O[C@H]2CCOC2)c1 ZINC000602569392 506221037 /nfs/dbraw/zinc/22/10/37/506221037.db2.gz QYANSHXBUFTANH-MJGOQNOKSA-N 0 3 358.482 3.351 20 30 FGEDHN CC(C)C[C@H](CNC(=O)c1ccc(Br)cc1C#N)N(C)C ZINC000448970365 500883766 /nfs/dbraw/zinc/88/37/66/500883766.db2.gz LPWKVDAHUFQJGV-CQSZACIVSA-N 0 3 352.276 3.027 20 30 FGEDHN CC(C)C[C@@H](CNC(=O)c1ccc(Br)cc1C#N)N(C)C ZINC000448970364 500883860 /nfs/dbraw/zinc/88/38/60/500883860.db2.gz LPWKVDAHUFQJGV-AWEZNQCLSA-N 0 3 352.276 3.027 20 30 FGEDHN Cc1ccc(NC(=O)NCCc2cccc(C#N)c2)c(OCCN(C)C)c1 ZINC000439585596 500916373 /nfs/dbraw/zinc/91/63/73/500916373.db2.gz ZENAEDDIDCBDEE-UHFFFAOYSA-N 0 3 366.465 3.171 20 30 FGEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000439885409 500950190 /nfs/dbraw/zinc/95/01/90/500950190.db2.gz BGUWHQITOLXHNC-SFHVURJKSA-N 0 3 356.470 3.340 20 30 FGEDHN C[C@H]1Cc2cccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2O1 ZINC000449808824 501093331 /nfs/dbraw/zinc/09/33/31/501093331.db2.gz CEWIALPGOZXODD-INIZCTEOSA-N 0 3 363.461 3.086 20 30 FGEDHN CN(CCCN(C)c1ncc(Br)cc1C#N)Cc1ccco1 ZINC000450534353 501147301 /nfs/dbraw/zinc/14/73/01/501147301.db2.gz FCGALSBWZALZBW-UHFFFAOYSA-N 0 3 363.259 3.267 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)[nH]c1C ZINC000450002361 501150828 /nfs/dbraw/zinc/15/08/28/501150828.db2.gz HOLXJARKKXXQRN-GOSISDBHSA-N 0 3 350.466 3.179 20 30 FGEDHN CC1(C)C[C@@]1(CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000596071402 506240141 /nfs/dbraw/zinc/24/01/41/506240141.db2.gz YKTKMVSTQYILRA-OAQYLSRUSA-N 0 3 368.502 3.289 20 30 FGEDHN COCC[C@@]1(NCc2cccc(OCc3ccccc3C#N)c2)CCOC1 ZINC000447104079 501205377 /nfs/dbraw/zinc/20/53/77/501205377.db2.gz ZEZBUXWACYREEX-JOCHJYFZSA-N 0 3 366.461 3.422 20 30 FGEDHN C[C@@H](c1ccccc1)[C@H](O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450219510 501213036 /nfs/dbraw/zinc/21/30/36/501213036.db2.gz WLUUHSCURPVIGL-WMZHIEFXSA-N 0 3 363.505 3.231 20 30 FGEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000451330064 501266773 /nfs/dbraw/zinc/26/67/73/501266773.db2.gz LHFIIPVGNBZSRA-GOSISDBHSA-N 0 3 357.841 3.206 20 30 FGEDHN O=C(CN[C@@H]1CCC12CCCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451461326 501297703 /nfs/dbraw/zinc/29/77/03/501297703.db2.gz TYFXVNVAQPZHPG-QGZVFWFLSA-N 0 3 364.411 3.486 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000451485133 501304053 /nfs/dbraw/zinc/30/40/53/501304053.db2.gz AQGWXTWYPQXDLO-BRWVUGGUSA-N 0 3 351.368 3.484 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000451504667 501308218 /nfs/dbraw/zinc/30/82/18/501308218.db2.gz SCERGWBXMHJYPD-TYPHKJRUSA-N 0 3 367.493 3.097 20 30 FGEDHN CCO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C ZINC000451540876 501317420 /nfs/dbraw/zinc/31/74/20/501317420.db2.gz LEEQXLHUURGUHC-CZUORRHYSA-N 0 3 361.511 3.184 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453349436 501318566 /nfs/dbraw/zinc/31/85/66/501318566.db2.gz LGXWJYTUBOIEPA-XHSDSOJGSA-N 0 3 372.918 3.022 20 30 FGEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453426963 501329753 /nfs/dbraw/zinc/32/97/53/501329753.db2.gz VBRVSBDRIARKFV-SOLBZPMBSA-N 0 3 371.554 3.283 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccco1 ZINC000451675611 501348930 /nfs/dbraw/zinc/34/89/30/501348930.db2.gz PYIANAIYIHHVQZ-KSSFIOAISA-N 0 3 354.454 3.076 20 30 FGEDHN CN(C)CCn1nccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455649594 501356707 /nfs/dbraw/zinc/35/67/07/501356707.db2.gz QWBRLYHHOLIWKM-QGZVFWFLSA-N 0 3 354.458 3.001 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cnc(C#N)c(Cl)c2)cc1 ZINC000455752331 501379401 /nfs/dbraw/zinc/37/94/01/501379401.db2.gz BXXGKIULUPPRTG-KRWDZBQOSA-N 0 3 373.844 3.040 20 30 FGEDHN C[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)N(C)Cc1ccccc1 ZINC000455762100 501381198 /nfs/dbraw/zinc/38/11/98/501381198.db2.gz AKBJZEYVTXLKAT-CYBMUJFWSA-N 0 3 357.845 3.249 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1C#N ZINC000455803933 501389635 /nfs/dbraw/zinc/38/96/35/501389635.db2.gz VFXFQBLDWSTZJO-QGZVFWFLSA-N 0 3 354.454 3.214 20 30 FGEDHN C=CCOc1cccnc1C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458223836 501397213 /nfs/dbraw/zinc/39/72/13/501397213.db2.gz WQKRLCSLZQVVAU-UHFFFAOYSA-N 0 3 355.438 3.148 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3cc(C#N)[nH]c3C)C2)s1 ZINC000582490793 506253418 /nfs/dbraw/zinc/25/34/18/506253418.db2.gz NFYDXNJTCKRIES-HNNXBMFYSA-N 0 3 356.495 3.159 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccsc2)cc1 ZINC000588288957 506262742 /nfs/dbraw/zinc/26/27/42/506262742.db2.gz PVEQBKOKJXTLBM-GFCCVEGCSA-N 0 3 363.464 3.098 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454535300 501571790 /nfs/dbraw/zinc/57/17/90/501571790.db2.gz FVILEUMPTFWZBT-KRWDZBQOSA-N 0 3 372.469 3.134 20 30 FGEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000459597036 501683949 /nfs/dbraw/zinc/68/39/49/501683949.db2.gz XZNLHLUTXTYLQQ-GOSISDBHSA-N 0 3 363.483 3.002 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000459597896 501684296 /nfs/dbraw/zinc/68/42/96/501684296.db2.gz YFAKXRKJOXXUPL-DYVFJYSZSA-N 0 3 369.494 3.355 20 30 FGEDHN C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000457476961 501706366 /nfs/dbraw/zinc/70/63/66/501706366.db2.gz IJGQKQDNIADZFX-IRXDYDNUSA-N 0 3 365.543 3.147 20 30 FGEDHN CCCc1c(NC(=O)NC(C)(C)CN(C)C)cnn1-c1cccc(C#N)c1 ZINC000455237217 501714085 /nfs/dbraw/zinc/71/40/85/501714085.db2.gz ZPASNNJPBPFRMI-UHFFFAOYSA-N 0 3 368.485 3.158 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000463585197 501768508 /nfs/dbraw/zinc/76/85/08/501768508.db2.gz CSJBRYUSDKAJHB-KRWDZBQOSA-N 0 3 360.461 3.124 20 30 FGEDHN CC(=O)Nc1cccc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470804721 501809220 /nfs/dbraw/zinc/80/92/20/501809220.db2.gz ULGCDDZSHPMTAY-AUUYWEPGSA-N 0 3 360.417 3.076 20 30 FGEDHN C=CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)Cc1ccccc1 ZINC000460381304 501810068 /nfs/dbraw/zinc/81/00/68/501810068.db2.gz QXJQOIXUJIGPTR-OAQYLSRUSA-N 0 3 351.494 3.094 20 30 FGEDHN C=CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)Cc1ccccc1F ZINC000460387486 501811259 /nfs/dbraw/zinc/81/12/59/501811259.db2.gz NMWAFLMIRHTMRM-OAQYLSRUSA-N 0 3 369.484 3.233 20 30 FGEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470822547 501816989 /nfs/dbraw/zinc/81/69/89/501816989.db2.gz RLKYKHGZSVKVIF-HOTGVXAUSA-N 0 3 362.449 3.198 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2SCCc3ccccc32)cc1 ZINC000470981451 501881227 /nfs/dbraw/zinc/88/12/27/501881227.db2.gz FXXADDVLQQTWPJ-QUCCMNQESA-N 0 3 361.470 3.387 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOCc2ccc(Cl)cc2)cc1 ZINC000471057161 501905300 /nfs/dbraw/zinc/90/53/00/501905300.db2.gz OVHZMEIQPDHAKR-SFHVURJKSA-N 0 3 367.836 3.227 20 30 FGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)N(CC)CC ZINC000460858800 501941150 /nfs/dbraw/zinc/94/11/50/501941150.db2.gz KHERWNCBCKFGEG-GJZGRUSLSA-N 0 3 352.276 3.250 20 30 FGEDHN CCCCN(C)CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000478399117 501967022 /nfs/dbraw/zinc/96/70/22/501967022.db2.gz PTQKOSQDYOXUSU-UHFFFAOYSA-N 0 3 355.404 3.088 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCCN(CC)CC1 ZINC000460951090 501969013 /nfs/dbraw/zinc/96/90/13/501969013.db2.gz ITXXQOSMRJURIJ-UHFFFAOYSA-N 0 3 355.486 3.062 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccco1 ZINC000461028041 501993651 /nfs/dbraw/zinc/99/36/51/501993651.db2.gz XPEIHLIOGHEKTR-PBHICJAKSA-N 0 3 370.453 3.088 20 30 FGEDHN CC(C)(C)[C@@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464712555 502071404 /nfs/dbraw/zinc/07/14/04/502071404.db2.gz PGOGWCBFRQGFRT-CRAIPNDOSA-N 0 3 367.415 3.495 20 30 FGEDHN C[C@H]1CC[C@H](C)N(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000464821023 502105168 /nfs/dbraw/zinc/10/51/68/502105168.db2.gz GEZIFYXTZKONDR-GJZGRUSLSA-N 0 3 352.400 3.294 20 30 FGEDHN C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000478859311 502105426 /nfs/dbraw/zinc/10/54/26/502105426.db2.gz RRHDUKOOTYDXCS-OPURJYLOSA-N 0 3 355.388 3.459 20 30 FGEDHN N#CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000461801808 502207883 /nfs/dbraw/zinc/20/78/83/502207883.db2.gz ODKSTHVLRDEQFW-LBPRGKRZSA-N 0 3 366.255 3.134 20 30 FGEDHN CC[C@H](CNC(=O)NCC(C)(C)CCC#N)N1CCc2ccccc2C1 ZINC000479311219 502220976 /nfs/dbraw/zinc/22/09/76/502220976.db2.gz KGNPMDZNVQLBKE-LJQANCHMSA-N 0 3 356.514 3.452 20 30 FGEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468898440 502222269 /nfs/dbraw/zinc/22/22/69/502222269.db2.gz ISOUFYPYNCBTEH-IBGZPJMESA-N 0 3 374.444 3.116 20 30 FGEDHN Cc1cccc(CC2(O)CCN(CCOc3ccccc3C#N)CC2)c1 ZINC000482941959 502223329 /nfs/dbraw/zinc/22/33/29/502223329.db2.gz BAVMRRLTQOGYOU-UHFFFAOYSA-N 0 3 350.462 3.315 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)N(C)C)cc1 ZINC000486700210 502235968 /nfs/dbraw/zinc/23/59/68/502235968.db2.gz MIQCVKMSXPNXQJ-LJQANCHMSA-N 0 3 353.491 3.378 20 30 FGEDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(Cl)cc1C#N ZINC000461947107 502248002 /nfs/dbraw/zinc/24/80/02/502248002.db2.gz IOVKLFLGZNXUJM-PKOBYXMFSA-N 0 3 370.884 3.210 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000461955874 502251886 /nfs/dbraw/zinc/25/18/86/502251886.db2.gz IYAYOYZEWICYTE-IHPCNDPISA-N 0 3 368.525 3.451 20 30 FGEDHN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000461966694 502255912 /nfs/dbraw/zinc/25/59/12/502255912.db2.gz QINWLKTWYKPAJL-UXHICEINSA-N 0 3 354.498 3.029 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CC1 ZINC000592907491 506303423 /nfs/dbraw/zinc/30/34/23/506303423.db2.gz SXOWGTPTUUBOIY-UHFFFAOYSA-N 0 3 370.497 3.003 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCC1 ZINC000469123970 502306936 /nfs/dbraw/zinc/30/69/36/502306936.db2.gz WXRBZMBQCSBMDY-STQMWFEESA-N 0 3 369.387 3.229 20 30 FGEDHN Cn1c2cc(-c3cccc(C(=O)C(C#N)c4ccccn4)c3)cnc2[nH]c1=O ZINC000486992565 502324648 /nfs/dbraw/zinc/32/46/48/502324648.db2.gz ZWRXIEIMBRTLIC-INIZCTEOSA-N 0 3 369.384 3.226 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000487175385 502381236 /nfs/dbraw/zinc/38/12/36/502381236.db2.gz IAKMUKFYCIIEAO-KBXCAEBGSA-N 0 3 365.905 3.366 20 30 FGEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000483424847 502386144 /nfs/dbraw/zinc/38/61/44/502386144.db2.gz XFAMDJPILVKPNQ-UHFFFAOYSA-N 0 3 355.404 3.192 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC23CCCC3)cc1 ZINC000483481925 502405998 /nfs/dbraw/zinc/40/59/98/502405998.db2.gz YVHSGCHBRZDJGW-CZUORRHYSA-N 0 3 361.467 3.217 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000487295711 502411797 /nfs/dbraw/zinc/41/17/97/502411797.db2.gz DOXQXFUNXFLESW-QGZVFWFLSA-N 0 3 357.479 3.059 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000483500379 502411864 /nfs/dbraw/zinc/41/18/64/502411864.db2.gz HGTKVXFMPVQWSR-MCIONIFRSA-N 0 3 363.483 3.319 20 30 FGEDHN CC[C@@H](C)n1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C ZINC000479915192 502417809 /nfs/dbraw/zinc/41/78/09/502417809.db2.gz VJKKCVVWXYWNQH-MRXNPFEDSA-N 0 3 367.497 3.238 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000469529558 502454125 /nfs/dbraw/zinc/45/41/25/502454125.db2.gz RHCMHYLBBNUILH-XPNTWCBSSA-N 0 3 368.521 3.482 20 30 FGEDHN N#CC[C@@H](CC(=O)N1CC[C@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000476329436 502458492 /nfs/dbraw/zinc/45/84/92/502458492.db2.gz CERJNFALZCTKLK-SFTDATJTSA-N 0 3 369.509 3.177 20 30 FGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCN(C)C1CC1 ZINC000473109541 502520642 /nfs/dbraw/zinc/52/06/42/502520642.db2.gz AJLAFVRHNFZMCD-CQSZACIVSA-N 0 3 374.554 3.242 20 30 FGEDHN CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1C ZINC000487945570 502575277 /nfs/dbraw/zinc/57/52/77/502575277.db2.gz AQKFNWOUJCDGSD-AEFFLSMTSA-N 0 3 374.554 3.149 20 30 FGEDHN CCC[C@@H]1CN(c2c(C#N)cnc3ccc(C)cc32)CCN1CCOC ZINC000488106590 502628309 /nfs/dbraw/zinc/62/83/09/502628309.db2.gz PPWVFTLBLFATFL-GOSISDBHSA-N 0 3 352.482 3.352 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000588753723 506327504 /nfs/dbraw/zinc/32/75/04/506327504.db2.gz ZAHGBZSFAZLQKO-CTNGQTDRSA-N 0 3 372.513 3.412 20 30 FGEDHN COCc1cccc(OCC2(CN3C[C@H](C)N(CC#N)[C@@H](C)C3)CCC2)c1 ZINC000602853779 506327632 /nfs/dbraw/zinc/32/76/32/506327632.db2.gz LSULTMDXDQXAOH-OALUTQOASA-N 0 3 371.525 3.300 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000470163076 502687132 /nfs/dbraw/zinc/68/71/32/502687132.db2.gz JKUJYDGUOUBJIX-IBGZPJMESA-N 0 3 355.482 3.240 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1 ZINC000480998835 502723796 /nfs/dbraw/zinc/72/37/96/502723796.db2.gz NRVCBNPWJQGDMF-LLVKDONJSA-N 0 3 371.409 3.072 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2nc3ncccc3cc2C#N)C1 ZINC000596257880 506330969 /nfs/dbraw/zinc/33/09/69/506330969.db2.gz SJQMJSCMICLADC-KRWDZBQOSA-N 0 3 357.461 3.460 20 30 FGEDHN CC(C)[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCN1C ZINC000488577327 502755936 /nfs/dbraw/zinc/75/59/36/502755936.db2.gz XLFRSJOSRMGVII-HXUWFJFHSA-N 0 3 351.498 3.236 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCC[C@H](COC)C1 ZINC000467119955 502793958 /nfs/dbraw/zinc/79/39/58/502793958.db2.gz MWFZVWQCPXFGPB-IRXDYDNUSA-N 0 3 350.528 3.400 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000474149700 502815254 /nfs/dbraw/zinc/81/52/54/502815254.db2.gz JCNUWUYTVXUVGG-OAQYLSRUSA-N 0 3 359.514 3.384 20 30 FGEDHN C=CCn1cccc1C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000488898264 502833975 /nfs/dbraw/zinc/83/39/75/502833975.db2.gz JKGXSZZUOSKNRU-IBGZPJMESA-N 0 3 352.482 3.196 20 30 FGEDHN CN(C)C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000488913563 502836869 /nfs/dbraw/zinc/83/68/69/502836869.db2.gz PGBSFRCKODAHAD-UYAOXDASSA-N 0 3 353.441 3.317 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000505062264 502846672 /nfs/dbraw/zinc/84/66/72/502846672.db2.gz QERWHUXVNUOQCB-UHFFFAOYSA-N 0 3 357.498 3.381 20 30 FGEDHN N#Cc1ccc(CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000501062478 502925562 /nfs/dbraw/zinc/92/55/62/502925562.db2.gz CUSDJMLIQGBQMM-UHFFFAOYSA-N 0 3 364.405 3.460 20 30 FGEDHN COCC1(C#N)CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000497445484 502961195 /nfs/dbraw/zinc/96/11/95/502961195.db2.gz KGNHOMGYIJINBJ-KRWDZBQOSA-N 0 3 372.513 3.078 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000497494805 502972422 /nfs/dbraw/zinc/97/24/22/502972422.db2.gz WVXMYJQRMLSRDT-UHFFFAOYSA-N 0 3 367.493 3.119 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000505866110 503001822 /nfs/dbraw/zinc/00/18/22/503001822.db2.gz LSEWZQNHXUTLDS-UHFFFAOYSA-N 0 3 365.477 3.122 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](CO)c1ccccc1Cl ZINC000489690123 503012401 /nfs/dbraw/zinc/01/24/01/503012401.db2.gz KJRLKDJHALRWKU-SJORKVTESA-N 0 3 356.853 3.305 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000498143930 503116868 /nfs/dbraw/zinc/11/68/68/503116868.db2.gz XKOIDAGUBJEWGK-UHFFFAOYSA-N 0 3 367.493 3.468 20 30 FGEDHN C[C@@H](C#N)CN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000514232223 503120261 /nfs/dbraw/zinc/12/02/61/503120261.db2.gz IXHMWECVAFTFDN-ROUUACIJSA-N 0 3 353.510 3.480 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)COc1ccccc1C#N)N(C)C ZINC000510510922 503129930 /nfs/dbraw/zinc/12/99/30/503129930.db2.gz JRFFKEWQZIPHMQ-IERDGZPVSA-N 0 3 351.450 3.053 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1cc(C#N)ccc1F)c1ccco1 ZINC000498406472 503180419 /nfs/dbraw/zinc/18/04/19/503180419.db2.gz BGGZWFMCQBIDSP-CXAGYDPISA-N 0 3 358.417 3.219 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502552454 503223075 /nfs/dbraw/zinc/22/30/75/503223075.db2.gz PVZOGTZPNBZAPN-IBGZPJMESA-N 0 3 350.890 3.056 20 30 FGEDHN CN(CCC#N)C(=O)CCN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511127335 503262896 /nfs/dbraw/zinc/26/28/96/503262896.db2.gz SXBICINJGDHMBR-UHFFFAOYSA-N 0 3 351.853 3.453 20 30 FGEDHN Cc1[nH]ncc1CN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000602945284 506362474 /nfs/dbraw/zinc/36/24/74/506362474.db2.gz ZKBYKSCWCCTKAB-ZDUSSCGKSA-N 0 3 357.483 3.183 20 30 FGEDHN C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CN1Cc1ccccc1 ZINC000582682928 506363432 /nfs/dbraw/zinc/36/34/32/506363432.db2.gz HKIVUBWHRZQZND-CXAGYDPISA-N 0 3 351.410 3.124 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000507563071 503323467 /nfs/dbraw/zinc/32/34/67/503323467.db2.gz FJXOYMHCUIIUKJ-AWEZNQCLSA-N 0 3 371.506 3.312 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511874591 503405801 /nfs/dbraw/zinc/40/58/01/503405801.db2.gz NBXJBLBHEVGMCE-FQEVSTJZSA-N 0 3 362.521 3.369 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCC#Cc2cccc(F)c2)CN1Cc1ccccc1 ZINC000512189885 503481139 /nfs/dbraw/zinc/48/11/39/503481139.db2.gz QGAGEIZKQGUNAT-UWJYYQICSA-N 0 3 365.452 3.139 20 30 FGEDHN COc1ccccc1/C=C/CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503919296 503490122 /nfs/dbraw/zinc/49/01/22/503490122.db2.gz GAKNVOGFWYULSA-WWPOYFSUSA-N 0 3 361.445 3.365 20 30 FGEDHN CN1C(=O)C[C@H](NCCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000494224378 503506692 /nfs/dbraw/zinc/50/66/92/503506692.db2.gz SMWSUVQBHYOTII-AZUAARDMSA-N 0 3 369.852 3.152 20 30 FGEDHN N#Cc1cc(F)cc(C2(C(=O)N3CCN(CC4CCCCC4)CC3)CC2)c1 ZINC000508704459 503547223 /nfs/dbraw/zinc/54/72/23/503547223.db2.gz UEBWUROGOYZBDY-UHFFFAOYSA-N 0 3 369.484 3.453 20 30 FGEDHN CN(C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 ZINC000504615025 503596053 /nfs/dbraw/zinc/59/60/53/503596053.db2.gz QJZDOUDCCVVSDX-IBGZPJMESA-N 0 3 351.425 3.148 20 30 FGEDHN COc1cc(C[C@H](CO)CN[C@@H](C)c2ccc(C#N)cc2F)cc(OC)c1 ZINC000512618932 503596284 /nfs/dbraw/zinc/59/62/84/503596284.db2.gz KMULZVSWYWBHIX-YOEHRIQHSA-N 0 3 372.440 3.216 20 30 FGEDHN N#Cc1cccc(NCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000495078812 503660853 /nfs/dbraw/zinc/66/08/53/503660853.db2.gz LILWNPDTVZLVHL-OAQYLSRUSA-N 0 3 362.477 3.141 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc3ccccc3n2C2CC2)cc1 ZINC000527069947 503668061 /nfs/dbraw/zinc/66/80/61/503668061.db2.gz CGKFKRFHFOWPJU-QGZVFWFLSA-N 0 3 369.428 3.242 20 30 FGEDHN CC(C)C(=O)Nc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000495221588 503703032 /nfs/dbraw/zinc/70/30/32/503703032.db2.gz QAYUJXVBIYZADG-CQSZACIVSA-N 0 3 361.405 3.053 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)n1cnc2ccccc21)C(C)C ZINC000533043379 503710823 /nfs/dbraw/zinc/71/08/23/503710823.db2.gz TVIZTANUXIFDQL-XLIONFOSSA-N 0 3 354.498 3.412 20 30 FGEDHN COc1ccc([C@H](NCC(=O)NCc2cccc(C#N)c2)C(C)C)cc1 ZINC000540343427 503742941 /nfs/dbraw/zinc/74/29/41/503742941.db2.gz RUORBGGAKXYKHY-OAQYLSRUSA-N 0 3 351.450 3.170 20 30 FGEDHN C[C@@H]1C[C@H](Nc2c(C#N)cnc3ccc(OC(F)F)cc32)CN1C1CC1 ZINC000517751255 503825352 /nfs/dbraw/zinc/82/53/52/503825352.db2.gz PBXRJMJBGFZPJS-YPMHNXCESA-N 0 3 358.392 3.167 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@]2(CCCOC2)C1 ZINC000533445472 503848683 /nfs/dbraw/zinc/84/86/83/503848683.db2.gz RAZBVIRLLGODAJ-OHWJTAOLSA-N 0 3 361.530 3.198 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccncn1 ZINC000546859148 503904720 /nfs/dbraw/zinc/90/47/20/503904720.db2.gz BJBBUZLJVRCXNH-ZDUSSCGKSA-N 0 3 357.295 3.171 20 30 FGEDHN COC(=O)C[C@](C)(NCCOc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000518433488 503983134 /nfs/dbraw/zinc/98/31/34/503983134.db2.gz RSJFYQMTIKKZLE-NRFANRHFSA-N 0 3 368.433 3.014 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000530603761 504023798 /nfs/dbraw/zinc/02/37/98/504023798.db2.gz YTYKUKAWKDUKFF-UHFFFAOYSA-N 0 3 366.465 3.171 20 30 FGEDHN C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCCC[C@H]1C ZINC000544299255 504078435 /nfs/dbraw/zinc/07/84/35/504078435.db2.gz LBYHNNGVPMZGOJ-SJORKVTESA-N 0 3 354.498 3.495 20 30 FGEDHN N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000530847739 504107100 /nfs/dbraw/zinc/10/71/00/504107100.db2.gz IXYBBAJWYJMPLW-QFIPXVFZSA-N 0 3 360.461 3.082 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)nc1 ZINC000538096858 504131368 /nfs/dbraw/zinc/13/13/68/504131368.db2.gz WUEJVJNTJZXDGJ-VQIMIIECSA-N 0 3 350.466 3.245 20 30 FGEDHN C=CC[C@H](CO)CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000538211799 504163160 /nfs/dbraw/zinc/16/31/60/504163160.db2.gz XLECBUCQIWUSAY-IRXDYDNUSA-N 0 3 365.543 3.005 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000538257498 504179508 /nfs/dbraw/zinc/17/95/08/504179508.db2.gz DWWZBEKUCTZZNA-PKOBYXMFSA-N 0 3 365.477 3.429 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccnc2OC2CCCC2)CC1 ZINC000519283743 504183093 /nfs/dbraw/zinc/18/30/93/504183093.db2.gz ZVWZUVHXAUSLLW-UHFFFAOYSA-N 0 3 372.513 3.243 20 30 FGEDHN COc1ccccc1C[C@H]1CCCN1C[C@H](O)COc1ccccc1C#N ZINC000528366227 504190137 /nfs/dbraw/zinc/19/01/37/504190137.db2.gz SUXJXLJCMZQEMR-UXHICEINSA-N 0 3 366.461 3.014 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000528386733 504200249 /nfs/dbraw/zinc/20/02/49/504200249.db2.gz JPXWUQGMZCTXNE-YLJYHZDGSA-N 0 3 354.425 3.002 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c(C#N)c1C ZINC000541689832 504222839 /nfs/dbraw/zinc/22/28/39/504222839.db2.gz YLSFYBMJALIJNY-VLXJIEOASA-N 0 3 353.422 3.249 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c(C#N)c1C ZINC000541689835 504223230 /nfs/dbraw/zinc/22/32/30/504223230.db2.gz YLSFYBMJALIJNY-VPZZIHKRSA-N 0 3 353.422 3.249 20 30 FGEDHN C[C@H](N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507632 504268314 /nfs/dbraw/zinc/26/83/14/504268314.db2.gz RJHQXYBRGFOFBI-UWJYYQICSA-N 0 3 367.468 3.291 20 30 FGEDHN C[C@H](N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507630 504268404 /nfs/dbraw/zinc/26/84/04/504268404.db2.gz RJHQXYBRGFOFBI-LAUBAEHRSA-N 0 3 367.468 3.291 20 30 FGEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000531330860 504269071 /nfs/dbraw/zinc/26/90/71/504269071.db2.gz UMRBKSQXJFZXKU-AWEZNQCLSA-N 0 3 358.419 3.308 20 30 FGEDHN C=C(C)C[NH+]1CCC(NCc2ccc(OC)c([O-])c2Br)CC1 ZINC000544836297 504275018 /nfs/dbraw/zinc/27/50/18/504275018.db2.gz LHGAAHCZARNLDN-UHFFFAOYSA-N 0 3 369.303 3.293 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(CC)OCCc3ccccc32)CC1 ZINC000519675972 504298022 /nfs/dbraw/zinc/29/80/22/504298022.db2.gz GWGGEFZIMRNKCI-JOCHJYFZSA-N 0 3 371.525 3.204 20 30 FGEDHN OC[C@H]1CCC2(CCOCC2)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000528636713 504304412 /nfs/dbraw/zinc/30/44/12/504304412.db2.gz DXPFTVMNJCEPIM-GOSISDBHSA-N 0 3 367.411 3.310 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C)N(C[C@@H](O)COc1ccc(C#N)cc1)[C@H]2C ZINC000541988897 504326410 /nfs/dbraw/zinc/32/64/10/504326410.db2.gz CCDFDHRXFYCAKO-TXPKVOOTSA-N 0 3 366.461 3.314 20 30 FGEDHN CC[C@H](C)n1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C ZINC000538691994 504329490 /nfs/dbraw/zinc/32/94/90/504329490.db2.gz RSOGWACDRDQPSF-INIZCTEOSA-N 0 3 367.497 3.238 20 30 FGEDHN C=CCOc1ccccc1CNC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535367861 504415315 /nfs/dbraw/zinc/41/53/15/504415315.db2.gz ANNGYUUJDRMQBO-IBGZPJMESA-N 0 3 350.462 3.390 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000548420003 504438664 /nfs/dbraw/zinc/43/86/64/504438664.db2.gz XHXUAVDZLPAMQY-DNVCBOLYSA-N 0 3 351.425 3.480 20 30 FGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cnn(C2CC2)c1 ZINC000528916178 504448884 /nfs/dbraw/zinc/44/88/84/504448884.db2.gz DERNMGMMLYGINN-KRWDZBQOSA-N 0 3 350.422 3.304 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528922440 504450871 /nfs/dbraw/zinc/45/08/71/504450871.db2.gz YSODIBONKAAZOW-ZIAGYGMSSA-N 0 3 358.438 3.326 20 30 FGEDHN CC[C@H](CC#N)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529035299 504503836 /nfs/dbraw/zinc/50/38/36/504503836.db2.gz IAGQQNXLFDZOLL-KZNAEPCWSA-N 0 3 368.506 3.167 20 30 FGEDHN CC(C)C[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000539241950 504508829 /nfs/dbraw/zinc/50/88/29/504508829.db2.gz OJPQXYMOETZFRA-RTWAWAEBSA-N 0 3 370.541 3.056 20 30 FGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545518846 504513578 /nfs/dbraw/zinc/51/35/78/504513578.db2.gz AEDJUJOJPOWHOU-OAQYLSRUSA-N 0 3 362.477 3.093 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3NCCc4ccccc43)CC2)cc1 ZINC000520548728 504526319 /nfs/dbraw/zinc/52/63/19/504526319.db2.gz LCLXVBLOMSIWAN-JOCHJYFZSA-N 0 3 372.472 3.244 20 30 FGEDHN C=CCC[C@@H](NCCN1C(=O)CCC1=O)c1ccc(C(F)(F)F)cc1 ZINC000539332128 504533187 /nfs/dbraw/zinc/53/31/87/504533187.db2.gz OJAIYJIXQLFXTC-OAHLLOKOSA-N 0 3 354.372 3.451 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000548748766 504551048 /nfs/dbraw/zinc/55/10/48/504551048.db2.gz SPNIEBVUYXXREO-GOSISDBHSA-N 0 3 364.449 3.210 20 30 FGEDHN COC(=O)CC1(NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCCC1 ZINC000548755406 504554963 /nfs/dbraw/zinc/55/49/63/504554963.db2.gz ZMZHQQCLFVWCDX-UHFFFAOYSA-N 0 3 371.481 3.016 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc3ccccc3c2)cc1 ZINC000520686361 504556103 /nfs/dbraw/zinc/55/61/03/504556103.db2.gz SWYAICVNHHZZMG-UHFFFAOYSA-N 0 3 364.470 3.317 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000520702851 504560380 /nfs/dbraw/zinc/56/03/80/504560380.db2.gz LBRICEYGDMZSBT-FQEVSTJZSA-N 0 3 373.497 3.105 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000548809338 504575366 /nfs/dbraw/zinc/57/53/66/504575366.db2.gz IQMCNEKGSJUTGX-FQEVSTJZSA-N 0 3 370.541 3.437 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN[C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000542728657 504590135 /nfs/dbraw/zinc/59/01/35/504590135.db2.gz OKDLMYKRUCCQLK-JOCHJYFZSA-N 0 3 355.441 3.411 20 30 FGEDHN C=CCCO[C@H](C)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCCN1CC ZINC000536037482 504614164 /nfs/dbraw/zinc/61/41/64/504614164.db2.gz YYYNYVKAEROWKS-MJGOQNOKSA-N 0 3 360.498 3.186 20 30 FGEDHN C=CC[C@H](CC)NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000539669185 504646588 /nfs/dbraw/zinc/64/65/88/504646588.db2.gz ACVLRGUGTWVWBZ-PMACEKPBSA-N 0 3 358.530 3.019 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N3CCC(CC#N)CC3)c(C)c2)CC1 ZINC000542903861 504651828 /nfs/dbraw/zinc/65/18/28/504651828.db2.gz YBIUZDRLNSFSSG-UHFFFAOYSA-N 0 3 369.513 3.295 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000546002411 504670999 /nfs/dbraw/zinc/67/09/99/504670999.db2.gz HPQDOGADJXDBLY-HNNXBMFYSA-N 0 3 352.438 3.209 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000559070307 504774059 /nfs/dbraw/zinc/77/40/59/504774059.db2.gz XJJJSOHNMYBWFM-IBGZPJMESA-N 0 3 354.425 3.144 20 30 FGEDHN CC(C)(C)n1cc(CNC2CCC(Oc3ccccc3C#N)CC2)nn1 ZINC000562312757 504780118 /nfs/dbraw/zinc/78/01/18/504780118.db2.gz GKSITTPSOIPDBM-UHFFFAOYSA-N 0 3 353.470 3.385 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)[C@@H]1n1cccn1 ZINC000559360417 504847107 /nfs/dbraw/zinc/84/71/07/504847107.db2.gz DCKMTQFYVWKWAC-AQNXPRMDSA-N 0 3 354.454 3.074 20 30 FGEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549608402 504858656 /nfs/dbraw/zinc/85/86/56/504858656.db2.gz ZQMKVEGAZRHFSZ-UPJWGTAASA-N 0 3 368.403 3.068 20 30 FGEDHN N#Cc1cscc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000559432413 504862663 /nfs/dbraw/zinc/86/26/63/504862663.db2.gz SAZOQDNKLIDLLR-UHFFFAOYSA-N 0 3 353.491 3.400 20 30 FGEDHN C=CCOCCN[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000549710776 504878501 /nfs/dbraw/zinc/87/85/01/504878501.db2.gz DXUNTCLTKMKSEJ-INIZCTEOSA-N 0 3 356.260 3.020 20 30 FGEDHN C[C@H](N[C@@H]1CCOC[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000565517848 504910267 /nfs/dbraw/zinc/91/02/67/504910267.db2.gz SIFRPJKNIVSHFA-HEHGZKQESA-N 0 3 361.511 3.230 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000562855630 504966580 /nfs/dbraw/zinc/96/65/80/504966580.db2.gz IZILYNVRMOTQDU-VQIMIIECSA-N 0 3 365.452 3.409 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000556883969 505005470 /nfs/dbraw/zinc/00/54/70/505005470.db2.gz IRADXIYFCFZEJR-SESVDKBCSA-N 0 3 363.461 3.438 20 30 FGEDHN CN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000556892979 505008901 /nfs/dbraw/zinc/00/89/01/505008901.db2.gz ZXIVCIXCBOZFFJ-LJQANCHMSA-N 0 3 365.452 3.363 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C12CCCC2 ZINC000565977059 505043640 /nfs/dbraw/zinc/04/36/40/505043640.db2.gz UYIVKLROKIWJOU-IAGOWNOFSA-N 0 3 361.873 3.478 20 30 FGEDHN N#Cc1ccc(NC2CC2)c(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000557065616 505057746 /nfs/dbraw/zinc/05/77/46/505057746.db2.gz YPBDFAWFJAQFSA-UHFFFAOYSA-N 0 3 368.481 3.106 20 30 FGEDHN N#CCc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000566147267 505096990 /nfs/dbraw/zinc/09/69/90/505096990.db2.gz STUGZVDPVFHHOT-NRFANRHFSA-N 0 3 362.477 3.389 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000557273234 505102439 /nfs/dbraw/zinc/10/24/39/505102439.db2.gz IFQAPKMOMYYNMH-UHFFFAOYSA-N 0 3 356.474 3.174 20 30 FGEDHN Cn1nccc1-c1ccccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000560533459 505117457 /nfs/dbraw/zinc/11/74/57/505117457.db2.gz JKZCFWFKOROZLT-GOSISDBHSA-N 0 3 359.433 3.007 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000554236612 505122083 /nfs/dbraw/zinc/12/20/83/505122083.db2.gz GEIJJKZDJRTOKA-HXUWFJFHSA-N 0 3 360.461 3.121 20 30 FGEDHN C[C@@]1(CNC(=O)Cc2c(F)cccc2C#N)CCCN1Cc1ccccc1 ZINC000560634627 505150058 /nfs/dbraw/zinc/15/00/58/505150058.db2.gz JVBILVINEQENKC-QFIPXVFZSA-N 0 3 365.452 3.411 20 30 FGEDHN CC[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)N(CC)CC ZINC000557661733 505196494 /nfs/dbraw/zinc/19/64/94/505196494.db2.gz XWLDTHCLGXREQE-GOSISDBHSA-N 0 3 361.461 3.188 20 30 FGEDHN C[C@@]1(CNC(=O)c2ccc(F)c(C#N)c2)CCCN1Cc1ccccc1 ZINC000551311816 505198057 /nfs/dbraw/zinc/19/80/57/505198057.db2.gz MBCXXJMQSMEKIF-NRFANRHFSA-N 0 3 351.425 3.482 20 30 FGEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000563708132 505217135 /nfs/dbraw/zinc/21/71/35/505217135.db2.gz MIPRKNKXGAZQDN-IERDGZPVSA-N 0 3 355.457 3.350 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@]3(Cc4ccc(Cl)cc4)CCOC3)n2c1 ZINC000551582794 505259991 /nfs/dbraw/zinc/25/99/91/505259991.db2.gz DNHMNOOSZZIUGN-FQEVSTJZSA-N 0 3 366.852 3.351 20 30 FGEDHN C=CCNC(=O)CN[C@H](Cc1ccc(Cl)cc1)Cc1ccc(CC)cn1 ZINC000564147145 505337514 /nfs/dbraw/zinc/33/75/14/505337514.db2.gz GAOOYGALFHNAKR-HXUWFJFHSA-N 0 3 371.912 3.343 20 30 FGEDHN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000552040771 505378398 /nfs/dbraw/zinc/37/83/98/505378398.db2.gz WYZMQACJVWHDOU-CYBMUJFWSA-N 0 3 374.322 3.334 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1c(F)cccc1C#N)N(C)C ZINC000552184552 505423651 /nfs/dbraw/zinc/42/36/51/505423651.db2.gz XAZYMUDUWKPWLW-YCRPNKLZSA-N 0 3 353.441 3.356 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000552244831 505438598 /nfs/dbraw/zinc/43/85/98/505438598.db2.gz HEHVLBWBIKUVQK-SFHVURJKSA-N 0 3 356.857 3.420 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)cccc1N1CCOCC1 ZINC000555585428 505464017 /nfs/dbraw/zinc/46/40/17/505464017.db2.gz FSUHAHDEFJWIQP-DNVCBOLYSA-N 0 3 350.890 3.247 20 30 FGEDHN C[C@@H](C#N)CN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000552365590 505473502 /nfs/dbraw/zinc/47/35/02/505473502.db2.gz JWCGXDTVMLSBMO-MAUKXSAKSA-N 0 3 361.436 3.294 20 30 FGEDHN C[C@@H](O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507678 505484041 /nfs/dbraw/zinc/48/40/41/505484041.db2.gz LHGCXAHAYIOZOO-ZHRRBRCNSA-N 0 3 367.468 3.373 20 30 FGEDHN C=CCNC(=O)CN[C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564741501 505507784 /nfs/dbraw/zinc/50/77/84/505507784.db2.gz PZPHZUONLRYVJA-FUHWJXTLSA-N 0 3 367.896 3.285 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000562153355 505529078 /nfs/dbraw/zinc/52/90/78/505529078.db2.gz KWPWXRGFSONAEX-NVXWUHKLSA-N 0 3 356.470 3.436 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)Cc1noc(C)c1C#N)c1ccc(Cl)cc1 ZINC000552682481 505533842 /nfs/dbraw/zinc/53/38/42/505533842.db2.gz MSSDVKUWSCQNFY-SFHVURJKSA-N 0 3 374.872 3.250 20 30 FGEDHN C[C@]1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCCc2ccccc21 ZINC000567685482 505535763 /nfs/dbraw/zinc/53/57/63/505535763.db2.gz ANJSIAKBSWGOHY-OAQYLSRUSA-N 0 3 368.502 3.216 20 30 FGEDHN COc1cc(CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)ccc1C#N ZINC000564869067 505544551 /nfs/dbraw/zinc/54/45/51/505544551.db2.gz NXKXSPIZAGPASV-LIRRHRJNSA-N 0 3 374.868 3.449 20 30 FGEDHN CCOc1ccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599253278 506386583 /nfs/dbraw/zinc/38/65/83/506386583.db2.gz GVBUGBUWNRHUNN-AZUAARDMSA-N 0 3 358.482 3.294 20 30 FGEDHN CCN(C[C@H](O)COc1ccccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000599270151 506391902 /nfs/dbraw/zinc/39/19/02/506391902.db2.gz AURVVSWILKQGLR-APWZRJJASA-N 0 3 354.450 3.390 20 30 FGEDHN C[C@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCc2ccc(F)cc21 ZINC000593115022 506401483 /nfs/dbraw/zinc/40/14/83/506401483.db2.gz GCDUAAJKUPZGSH-OXJNMPFZSA-N 0 3 368.452 3.293 20 30 FGEDHN C=CCOc1ccccc1CNCCCN1C(=O)COc2ccccc21 ZINC000608062106 506402959 /nfs/dbraw/zinc/40/29/59/506402959.db2.gz QZJZMFKZJHDOFN-UHFFFAOYSA-N 0 3 352.434 3.157 20 30 FGEDHN CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CCN(C)C1 ZINC000596451016 506412347 /nfs/dbraw/zinc/41/23/47/506412347.db2.gz WNDVBUIUESYSDQ-MRXNPFEDSA-N 0 3 369.494 3.163 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000603128577 506430732 /nfs/dbraw/zinc/43/07/32/506430732.db2.gz JPXGLTJYDBAHIC-UZLBHIALSA-N 0 3 363.465 3.470 20 30 FGEDHN N#CC1(CCCN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CCOCC1 ZINC000603146341 506436179 /nfs/dbraw/zinc/43/61/79/506436179.db2.gz RBYBYKQRSXDBMM-DLBZAZTESA-N 0 3 370.415 3.211 20 30 FGEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@@H](O)CC1(C#N)CCOCC1 ZINC000599439772 506455889 /nfs/dbraw/zinc/45/58/89/506455889.db2.gz FMJWJKISLONDRG-HNNXBMFYSA-N 0 3 366.889 3.245 20 30 FGEDHN C=C(C)C[C@H](NC(C)=O)c1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1 ZINC000596582069 506471668 /nfs/dbraw/zinc/47/16/68/506471668.db2.gz INVUIBIHDPEEJM-GJZGRUSLSA-N 0 3 372.450 3.236 20 30 FGEDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@@H]21 ZINC000582887397 506472943 /nfs/dbraw/zinc/47/29/43/506472943.db2.gz VVSHCQYZYHUPIU-NQIIRXRSSA-N 0 3 361.445 3.321 20 30 FGEDHN COCc1cc(C#N)ccc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000603288205 506477344 /nfs/dbraw/zinc/47/73/44/506477344.db2.gz NYTAJPYDAGLMMO-UHFFFAOYSA-N 0 3 365.477 3.273 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000599506401 506477613 /nfs/dbraw/zinc/47/76/13/506477613.db2.gz KIYTUILMVLPYKO-QGZVFWFLSA-N 0 3 360.502 3.282 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)o1)Cc1ccc(C#N)cc1 ZINC000589194570 506477786 /nfs/dbraw/zinc/47/77/86/506477786.db2.gz SNDSHTLMCCUNGA-UHFFFAOYSA-N 0 3 362.271 3.478 20 30 FGEDHN N#Cc1ccc(C2(NCCOc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000599632182 506540936 /nfs/dbraw/zinc/54/09/36/506540936.db2.gz SHTVXOKIDPSWEY-UHFFFAOYSA-N 0 3 367.405 3.141 20 30 FGEDHN N#CC1(CNC(=O)NCC2CCN(Cc3cccs3)CC2)CCCC1 ZINC000593332865 506549667 /nfs/dbraw/zinc/54/96/67/506549667.db2.gz KJRLCWQYSUBARR-UHFFFAOYSA-N 0 3 360.527 3.343 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000599659834 506559900 /nfs/dbraw/zinc/55/99/00/506559900.db2.gz KKMLQRNUGXYRHK-QGZVFWFLSA-N 0 3 364.493 3.469 20 30 FGEDHN CC(C)(C)C(=O)N1CCC[C@H](CN2CCc3c(CC#N)cccc3C2)C1 ZINC000599677655 506574471 /nfs/dbraw/zinc/57/44/71/506574471.db2.gz IUXSREXRQQRVFX-QGZVFWFLSA-N 0 3 353.510 3.395 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)CCN1Cc1ccccc1 ZINC000593405591 506603571 /nfs/dbraw/zinc/60/35/71/506603571.db2.gz WLKSSYNDOUGCTA-IIBYNOLFSA-N 0 3 360.461 3.246 20 30 FGEDHN CSC1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CCN(C)CC1 ZINC000589613433 506604651 /nfs/dbraw/zinc/60/46/51/506604651.db2.gz VTFPJULIMHADLE-KRWDZBQOSA-N 0 3 360.527 3.158 20 30 FGEDHN COc1cc(NC(=O)N2CCN(CCC(C)(C)C)CC2)c(F)cc1C#N ZINC000599817335 506653872 /nfs/dbraw/zinc/65/38/72/506653872.db2.gz KDSKGUHNEUDHSX-UHFFFAOYSA-N 0 3 362.449 3.292 20 30 FGEDHN O[C@H](CNCC#Cc1cccc(C(F)(F)F)c1)COCc1ccccc1 ZINC000583258760 506681173 /nfs/dbraw/zinc/68/11/73/506681173.db2.gz SPBGVNWAMFXEBL-LJQANCHMSA-N 0 3 363.379 3.224 20 30 FGEDHN N#CC1(c2ccc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2)CC1 ZINC000597014895 506732183 /nfs/dbraw/zinc/73/21/83/506732183.db2.gz SXMSQFALLVCRJN-QGZVFWFLSA-N 0 3 363.421 3.231 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3cc(-c4cccnc4)n[nH]3)CC2)c1 ZINC000593692370 506733952 /nfs/dbraw/zinc/73/39/52/506733952.db2.gz DSLMFYHGURMPGU-UHFFFAOYSA-N 0 3 372.476 3.098 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C)c2ccccc2C1)C(C)C ZINC000590156744 506753280 /nfs/dbraw/zinc/75/32/80/506753280.db2.gz LQMQZODQSCGGOE-NRFANRHFSA-N 0 3 370.541 3.347 20 30 FGEDHN CCN(C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000604315979 506784917 /nfs/dbraw/zinc/78/49/17/506784917.db2.gz BEZMUASPSRIQMU-UTKZUKDTSA-N 0 3 363.461 3.447 20 30 FGEDHN COC[C@H](C)Oc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000597128695 506790740 /nfs/dbraw/zinc/79/07/40/506790740.db2.gz DAAQTGPICYKQPO-JXFKEZNVSA-N 0 3 367.449 3.020 20 30 FGEDHN CN(CCCNC(=O)c1cc2ccccc2n1CC#N)Cc1ccccc1 ZINC000609160362 506797581 /nfs/dbraw/zinc/79/75/81/506797581.db2.gz GKBPEQAMSQSFNC-UHFFFAOYSA-N 0 3 360.461 3.417 20 30 FGEDHN CN(C)C[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000590365691 506805128 /nfs/dbraw/zinc/80/51/28/506805128.db2.gz AAJYGMOHXUGTIV-KRWDZBQOSA-N 0 3 370.884 3.085 20 30 FGEDHN COc1cccc([C@@H](CNC(=O)C(C#N)CCc2ccccc2)OC)c1 ZINC000600166086 506816169 /nfs/dbraw/zinc/81/61/69/506816169.db2.gz VPNNVFZUMGITBW-UYAOXDASSA-N 0 3 352.434 3.271 20 30 FGEDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000590443656 506824343 /nfs/dbraw/zinc/82/43/43/506824343.db2.gz KBXFURDVSCETNB-RXVVDRJESA-N 0 3 361.445 3.321 20 30 FGEDHN C=CCC1(NCc2ccc(C(=O)OC)cc2Br)CCOCC1 ZINC000597206248 506836043 /nfs/dbraw/zinc/83/60/43/506836043.db2.gz NHXBXOJNJMIBHR-UHFFFAOYSA-N 0 3 368.271 3.451 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CC1 ZINC000609293366 506838526 /nfs/dbraw/zinc/83/85/26/506838526.db2.gz CIHLMSBEHZEHQT-UHFFFAOYSA-N 0 3 365.861 3.289 20 30 FGEDHN N#CCCn1cc(CN2CCC(c3ccon3)CC2)c(-c2ccncc2)n1 ZINC000597230130 506849990 /nfs/dbraw/zinc/84/99/90/506849990.db2.gz VNOBJHDQSWPNCZ-UHFFFAOYSA-N 0 3 362.437 3.226 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000593964069 506854478 /nfs/dbraw/zinc/85/44/78/506854478.db2.gz DGEYEHRRKUWWKV-MRXNPFEDSA-N 0 3 351.450 3.316 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CCCCC#N ZINC000593974032 506860004 /nfs/dbraw/zinc/86/00/04/506860004.db2.gz RPDCUBAFFLWOLT-UHFFFAOYSA-N 0 3 366.303 3.423 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000609346733 506861394 /nfs/dbraw/zinc/86/13/94/506861394.db2.gz OFKUFMLVCITNRD-HLIPFELVSA-N 0 3 357.498 3.341 20 30 FGEDHN Cc1cc(NC(=O)CC2(C#N)CCOCC2)ccc1OCCN1CCCC1 ZINC000597265570 506870773 /nfs/dbraw/zinc/87/07/73/506870773.db2.gz AFTSQHNMLBEQHA-UHFFFAOYSA-N 0 3 371.481 3.119 20 30 FGEDHN CC1CCC(OC2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000609386541 506872258 /nfs/dbraw/zinc/87/22/58/506872258.db2.gz BNEMYOSBUVDKDR-MOMVYJMYSA-N 0 3 372.509 3.358 20 30 FGEDHN C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000609500676 506901007 /nfs/dbraw/zinc/90/10/07/506901007.db2.gz JVUKQOMWESXUMU-QZTJIDSGSA-N 0 3 357.498 3.486 20 30 FGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)N(CC)CC ZINC000613130726 506931441 /nfs/dbraw/zinc/93/14/41/506931441.db2.gz DELYWBNYGUHPCG-CABCVRRESA-N 0 3 352.276 3.250 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCN2C2CCCC2)c1C#N ZINC000600473261 506962617 /nfs/dbraw/zinc/96/26/17/506962617.db2.gz UVPLTFSXXMUBAU-OAHLLOKOSA-N 0 3 370.522 3.299 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609664517 506966876 /nfs/dbraw/zinc/96/68/76/506966876.db2.gz MVVKIDDIYNAEPW-QGZVFWFLSA-N 0 3 364.449 3.159 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744348 506988126 /nfs/dbraw/zinc/98/81/26/506988126.db2.gz DHOIGAFPLNCCNJ-OAQYLSRUSA-N 0 3 368.452 3.339 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594215827 507015514 /nfs/dbraw/zinc/01/55/14/507015514.db2.gz RFXNOTRMYREUNG-RTBURBONSA-N 0 3 372.538 3.108 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)n1-c1nccs1 ZINC000613296471 507015948 /nfs/dbraw/zinc/01/59/48/507015948.db2.gz VUOFEDLEFYGGGU-HNNXBMFYSA-N 0 3 351.435 3.448 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000590940167 507047868 /nfs/dbraw/zinc/04/78/68/507047868.db2.gz WYJYPHJMMMTYOA-LJQANCHMSA-N 0 3 368.506 3.380 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594283400 507061306 /nfs/dbraw/zinc/06/13/06/507061306.db2.gz HVANVPMVYMOGFD-VQTJNVASSA-N 0 3 354.498 3.495 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)N[C@@H]3CCCN4CCCC[C@H]34)CCC2)cc1 ZINC000594284027 507063045 /nfs/dbraw/zinc/06/30/45/507063045.db2.gz PYFGLLJQTVJIEI-RTBURBONSA-N 0 3 352.482 3.254 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594284051 507063506 /nfs/dbraw/zinc/06/35/06/507063506.db2.gz QDYLRJVMVKNYQP-CGXNFDGLSA-N 0 3 366.509 3.485 20 30 FGEDHN Cc1nsc(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000590965642 507065065 /nfs/dbraw/zinc/06/50/65/507065065.db2.gz XYDBYZNOZSFGHI-INIZCTEOSA-N 0 3 369.494 3.357 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3ccco3)C2)c(OC)c1 ZINC000600684398 507065840 /nfs/dbraw/zinc/06/58/40/507065840.db2.gz FQTCLGIDCLPIQF-ROUUACIJSA-N 0 3 357.450 3.246 20 30 FGEDHN Cc1cn2c(nc(C)c2CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000597700891 507066222 /nfs/dbraw/zinc/06/62/22/507066222.db2.gz NQDUXSKZLQZYQA-INIZCTEOSA-N 0 3 352.463 3.401 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2nc3cc(Cl)ccc3s2)CCOCC1 ZINC000600719086 507079557 /nfs/dbraw/zinc/07/95/57/507079557.db2.gz CQGFELVXJAMUMG-CYBMUJFWSA-N 0 3 365.886 3.111 20 30 FGEDHN COCC1(N(C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000591021560 507082358 /nfs/dbraw/zinc/08/23/58/507082358.db2.gz ZIXCVAOZSRYKRU-ZDUSSCGKSA-N 0 3 361.511 3.184 20 30 FGEDHN CC[C@@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1ccccc1C ZINC000600725758 507085199 /nfs/dbraw/zinc/08/51/99/507085199.db2.gz DIIFGHPVGMBQAK-MOPGFXCFSA-N 0 3 354.450 3.054 20 30 FGEDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2C#N)c(OCC2CC2)c1 ZINC000600732092 507088547 /nfs/dbraw/zinc/08/85/47/507088547.db2.gz WSTGGDTVGIJRJS-HXUWFJFHSA-N 0 3 366.461 3.185 20 30 FGEDHN Cc1cc(C(F)(F)F)ccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600736268 507090692 /nfs/dbraw/zinc/09/06/92/507090692.db2.gz WZSUSWYQEJDJPB-QGZVFWFLSA-N 0 3 364.367 3.415 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccccc2CC(F)(F)F)cc1 ZINC000600757751 507103744 /nfs/dbraw/zinc/10/37/44/507103744.db2.gz AELFDUOSSMFARK-QGZVFWFLSA-N 0 3 364.367 3.193 20 30 FGEDHN CC(C)N(C(=O)CC1(C#N)CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597808594 507114523 /nfs/dbraw/zinc/11/45/23/507114523.db2.gz UCKHCGWKWMMCBA-FQEVSTJZSA-N 0 3 369.509 3.208 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000594426799 507126882 /nfs/dbraw/zinc/12/68/82/507126882.db2.gz SDFCYASDSVYVIN-KRWDZBQOSA-N 0 3 357.454 3.098 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000594426335 507127602 /nfs/dbraw/zinc/12/76/02/507127602.db2.gz OJBMVHRNAOLHPP-OAHLLOKOSA-N 0 3 353.451 3.413 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000594425989 507127980 /nfs/dbraw/zinc/12/79/80/507127980.db2.gz BUOCRKFCCJPRBS-FQEVSTJZSA-N 0 3 369.440 3.432 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000594434145 507130879 /nfs/dbraw/zinc/13/08/79/507130879.db2.gz WVPFZUMGJMZEBF-CVEARBPZSA-N 0 3 369.387 3.017 20 30 FGEDHN Cc1sc(CCNC(=O)[C@H](N)CCCCC#N)nc1-c1ccccc1 ZINC000594438458 507132710 /nfs/dbraw/zinc/13/27/10/507132710.db2.gz IOHDMHIHGVLZTP-MRXNPFEDSA-N 0 3 356.495 3.189 20 30 FGEDHN Cc1ccc(C[C@H](NC(=O)[C@H](N)CCCCC#N)c2ccccn2)cc1 ZINC000594436618 507133292 /nfs/dbraw/zinc/13/32/92/507133292.db2.gz DWRIESRWCNWULA-QUCCMNQESA-N 0 3 350.466 3.201 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC000594440801 507134483 /nfs/dbraw/zinc/13/44/83/507134483.db2.gz ZPUFYIWDEIVQBJ-CYBMUJFWSA-N 0 3 356.451 3.350 20 30 FGEDHN COc1ccc(-c2csc(CNC(=O)[C@H](N)CCCCC#N)c2)cc1 ZINC000594446452 507137396 /nfs/dbraw/zinc/13/73/96/507137396.db2.gz TWQJLWLULNGTMD-GOSISDBHSA-N 0 3 357.479 3.451 20 30 FGEDHN CC[C@H](Cc1ccccc1Br)NC(=O)[C@H](N)CCCCC#N ZINC000594446036 507137642 /nfs/dbraw/zinc/13/76/42/507137642.db2.gz OYJMMPNZCKMDSS-GDBMZVCRSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000594454105 507140586 /nfs/dbraw/zinc/14/05/86/507140586.db2.gz SWYTWIZYCRUUBC-OAHLLOKOSA-N 0 3 365.359 3.241 20 30 FGEDHN CN(C)[C@@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)Cc1ccccc1 ZINC000610246771 507159791 /nfs/dbraw/zinc/15/97/91/507159791.db2.gz YREACPQUSOFHKD-MRXNPFEDSA-N 0 3 366.415 3.391 20 30 FGEDHN C[C@H](CNc1cc(C#N)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000610275399 507172177 /nfs/dbraw/zinc/17/21/77/507172177.db2.gz FYJHAPJKLYJQDU-GOSISDBHSA-N 0 3 371.488 3.151 20 30 FGEDHN N#Cc1sccc1N1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000597939143 507187950 /nfs/dbraw/zinc/18/79/50/507187950.db2.gz KYJHNJUYLCRCIE-GOSISDBHSA-N 0 3 372.538 3.065 20 30 FGEDHN Cc1nc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)cc1C#N ZINC000584214472 507218504 /nfs/dbraw/zinc/21/85/04/507218504.db2.gz MBMGNYDSIMRBBI-KBPBESRZSA-N 0 3 362.905 3.241 20 30 FGEDHN COC[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc(OC)c1 ZINC000598063627 507239943 /nfs/dbraw/zinc/23/99/43/507239943.db2.gz CUZUWEVPAJTDET-AZUAARDMSA-N 0 3 352.434 3.271 20 30 FGEDHN Cn1cccc1[C@@H]1CCCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610476752 507254101 /nfs/dbraw/zinc/25/41/01/507254101.db2.gz IJFKBPQJOYBJAB-RXVVDRJESA-N 0 3 353.466 3.058 20 30 FGEDHN N#CCc1ccccc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000601150729 507279679 /nfs/dbraw/zinc/27/96/79/507279679.db2.gz AXZJCCXGZSSDAL-UHFFFAOYSA-N 0 3 363.461 3.157 20 30 FGEDHN Cc1cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)n(C2CCN(C)CC2)n1 ZINC000610572191 507295929 /nfs/dbraw/zinc/29/59/29/507295929.db2.gz WCHWFDZHSXOCGQ-HNNXBMFYSA-N 0 3 366.469 3.213 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN[C@H](Cn1cccn1)c1ccccc1 ZINC000610582766 507302218 /nfs/dbraw/zinc/30/22/18/507302218.db2.gz XRZLGSDKYIAAON-QGZVFWFLSA-N 0 3 365.462 3.176 20 30 FGEDHN COC[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610604895 507316727 /nfs/dbraw/zinc/31/67/27/507316727.db2.gz CPWNVBGQBFXKDR-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN N#CC1(c2ccc(CNCCNC(=O)c3ccccc3Cl)cc2)CC1 ZINC000594927781 507317878 /nfs/dbraw/zinc/31/78/78/507317878.db2.gz WFOOJHUGXGIXLP-UHFFFAOYSA-N 0 3 353.853 3.415 20 30 FGEDHN Cc1ccc(CN2CC[C@H](NCc3ccc(C4(C#N)CC4)cc3)C2=O)cc1 ZINC000594937245 507321279 /nfs/dbraw/zinc/32/12/79/507321279.db2.gz GSWQUHNWTAIYIO-NRFANRHFSA-N 0 3 359.473 3.441 20 30 FGEDHN COCCOc1cccc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594985520 507343812 /nfs/dbraw/zinc/34/38/12/507343812.db2.gz YJNRSQCNWBCGRM-UHFFFAOYSA-N 0 3 366.461 3.379 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@@H](CO)c3ccc(F)cc3F)CC2)cc1 ZINC000594995019 507346619 /nfs/dbraw/zinc/34/66/19/507346619.db2.gz JVKBBADRRQIAKT-FQEVSTJZSA-N 0 3 357.404 3.128 20 30 FGEDHN CSc1ccc(OC[C@H](O)CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764886 507352839 /nfs/dbraw/zinc/35/28/39/507352839.db2.gz OLWPBCWSKXITHJ-UZLBHIALSA-N 0 3 354.475 3.297 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601401890 507356876 /nfs/dbraw/zinc/35/68/76/507356876.db2.gz DSWLBGXGLRGMDW-UHFFFAOYSA-N 0 3 352.482 3.230 20 30 FGEDHN CC(C)[C@H](O)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000598350360 507390321 /nfs/dbraw/zinc/39/03/21/507390321.db2.gz IFOWCLKVVFPZRH-NJYVYQBISA-N 0 3 361.445 3.115 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000601622107 507406364 /nfs/dbraw/zinc/40/63/64/507406364.db2.gz RLNBJEYYRLYLPG-OAHLLOKOSA-N 0 3 351.450 3.446 20 30 FGEDHN CNCc1cccc(NC(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595236867 507434521 /nfs/dbraw/zinc/43/45/21/507434521.db2.gz QVJFFOHSEKJRCJ-UHFFFAOYSA-N 0 3 364.449 3.105 20 30 FGEDHN C[C@@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1cccc(C#N)c1 ZINC000595236253 507434619 /nfs/dbraw/zinc/43/46/19/507434619.db2.gz XVVJZGMTCMBTSO-KUHUBIRLSA-N 0 3 350.422 3.102 20 30 FGEDHN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@H](N)CCCCC#N ZINC000595258022 507442536 /nfs/dbraw/zinc/44/25/36/507442536.db2.gz QCGSBPUDTMRTNP-IAGOWNOFSA-N 0 3 363.889 3.430 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000598506321 507464206 /nfs/dbraw/zinc/46/42/06/507464206.db2.gz DYDXUDFCMCBVEJ-VNQPRFMTSA-N 0 3 354.372 3.327 20 30 FGEDHN COc1ccccc1C(C)(C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000610987412 507468649 /nfs/dbraw/zinc/46/86/49/507468649.db2.gz OMFMDNKUVQNRLD-KRWDZBQOSA-N 0 3 354.450 3.026 20 30 FGEDHN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000584729500 507473948 /nfs/dbraw/zinc/47/39/48/507473948.db2.gz AWEZGHIBTZLXSJ-AZUAARDMSA-N 0 3 371.525 3.018 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000598596193 507512110 /nfs/dbraw/zinc/51/21/10/507512110.db2.gz JEFHDAZJRYDTPM-PMPSAXMXSA-N 0 3 356.388 3.114 20 30 FGEDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1C[C@H](O)CC(C)(C)C#N ZINC000598614692 507519401 /nfs/dbraw/zinc/51/94/01/507519401.db2.gz RNDITLOJZPPEJA-SJLPKXTDSA-N 0 3 352.482 3.046 20 30 FGEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCc2ncsc2C1 ZINC000592189426 507531316 /nfs/dbraw/zinc/53/13/16/507531316.db2.gz UMEFXDZHPIVXGT-KXBFYZLASA-N 0 3 362.543 3.157 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000614516811 507546422 /nfs/dbraw/zinc/54/64/22/507546422.db2.gz SRKTYDQGGGJPIA-KRWDZBQOSA-N 0 3 351.425 3.339 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000584869068 507549847 /nfs/dbraw/zinc/54/98/47/507549847.db2.gz VHHFFGNWXXYDLN-KRWDZBQOSA-N 0 3 371.916 3.381 20 30 FGEDHN N#Cc1ccc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000595549639 507555054 /nfs/dbraw/zinc/55/50/54/507555054.db2.gz ULXOYGOMKGQBDC-LJQANCHMSA-N 0 3 373.378 3.206 20 30 FGEDHN COc1cccc(Oc2ncccc2CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598721154 507568057 /nfs/dbraw/zinc/56/80/57/507568057.db2.gz SQRSCEXTRVKNMR-MRXNPFEDSA-N 0 3 355.438 3.273 20 30 FGEDHN N#CC1(CNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000595595311 507581589 /nfs/dbraw/zinc/58/15/89/507581589.db2.gz JSHCCDXRNIOKFV-LJQANCHMSA-N 0 3 354.498 3.282 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc1Cl ZINC000614634723 507594612 /nfs/dbraw/zinc/59/46/12/507594612.db2.gz MZCGHJPOLPAIOE-UHFFFAOYSA-N 0 3 369.852 3.421 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CC1 ZINC000592336066 507610522 /nfs/dbraw/zinc/61/05/22/507610522.db2.gz XMPJHAUKXGUNBD-UHFFFAOYSA-N 0 3 372.513 3.377 20 30 FGEDHN CCc1cc(C#N)c(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)s1 ZINC000598806674 507611232 /nfs/dbraw/zinc/61/12/32/507611232.db2.gz BRKSVFPQNSVUBW-ZYHUDNBSSA-N 0 3 362.373 3.105 20 30 FGEDHN C=CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](C)COC ZINC000595645812 507611897 /nfs/dbraw/zinc/61/18/97/507611897.db2.gz HUBMJPGHASXSAX-AWEZNQCLSA-N 0 3 361.511 3.350 20 30 FGEDHN CC(C)[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cn1 ZINC000585794423 507631971 /nfs/dbraw/zinc/63/19/71/507631971.db2.gz UANRVPBETQVYOH-FQEVSTJZSA-N 0 3 353.445 3.443 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NC/C=C\c3ccc(F)c(F)c3)C2=O)cc1 ZINC000586778927 507668906 /nfs/dbraw/zinc/66/89/06/507668906.db2.gz YDLRLDXNSPWQOB-KXFGNQBASA-N 0 3 367.399 3.240 20 30 FGEDHN C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[C@H](N)c1ccccc1 ZINC000602553585 507747921 /nfs/dbraw/zinc/74/79/21/507747921.db2.gz DLWXQEYMVIGCPD-UZLBHIALSA-N 0 3 363.461 3.016 20 30 FGEDHN C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[C@@H](N)c1ccccc1 ZINC000602553584 507748045 /nfs/dbraw/zinc/74/80/45/507748045.db2.gz DLWXQEYMVIGCPD-OXQOHEQNSA-N 0 3 363.461 3.016 20 30 FGEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)c2ccc(Br)cc21 ZINC000602553378 507748429 /nfs/dbraw/zinc/74/84/29/507748429.db2.gz BXBQGUPGLDJHGE-CYBMUJFWSA-N 0 3 350.260 3.094 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc(N(C)C)nc2ccccc12 ZINC000602560759 507749091 /nfs/dbraw/zinc/74/90/91/507749091.db2.gz MIDRTLLYDDONTE-MRXNPFEDSA-N 0 3 352.482 3.489 20 30 FGEDHN N#CCCCC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737688668 598561925 /nfs/dbraw/zinc/56/19/25/598561925.db2.gz WUZWBBJLRSHDFH-UHFFFAOYSA-N 0 3 362.437 3.229 20 30 FGEDHN N#CCCCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737688668 598561927 /nfs/dbraw/zinc/56/19/27/598561927.db2.gz WUZWBBJLRSHDFH-UHFFFAOYSA-N 0 3 362.437 3.229 20 30 FGEDHN CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736457232 600592930 /nfs/dbraw/zinc/59/29/30/600592930.db2.gz FKFMAUIIQMGOKO-HXUWFJFHSA-N 0 3 351.450 3.314 20 30 FGEDHN CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736457232 600592933 /nfs/dbraw/zinc/59/29/33/600592933.db2.gz FKFMAUIIQMGOKO-HXUWFJFHSA-N 0 3 351.450 3.314 20 30 FGEDHN N#CC(C(=O)CCCNC(=O)c1ccsc1)c1nc2ccccc2[nH]1 ZINC000041496309 695762593 /nfs/dbraw/zinc/76/25/93/695762593.db2.gz ZVUZYHGDHOLJFY-ZDUSSCGKSA-N 0 3 352.419 3.011 20 30 FGEDHN C[C@H](Oc1cccc(Cl)c1)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000041510137 695762860 /nfs/dbraw/zinc/76/28/60/695762860.db2.gz PQHZOHHNEUFNLS-WFASDCNBSA-N 0 3 358.829 3.302 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSc1ccccc1C ZINC000129829318 700792432 /nfs/dbraw/zinc/79/24/32/700792432.db2.gz JCHWPHVEXZGACM-AWEZNQCLSA-N 0 3 354.431 3.443 20 30 FGEDHN N#CC(C(=O)CCOCC(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130249441 700798379 /nfs/dbraw/zinc/79/83/79/700798379.db2.gz RFGDJGPYSBNEFI-SECBINFHSA-N 0 3 366.698 3.095 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000130918708 700807951 /nfs/dbraw/zinc/80/79/51/700807951.db2.gz RKKDFNIYBOQPAU-AWEZNQCLSA-N 0 3 359.813 3.161 20 30 FGEDHN C#C[C@H](OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000152855013 704975946 /nfs/dbraw/zinc/97/59/46/704975946.db2.gz KBYHXEALXFNZTE-DOMZBBRYSA-N 0 3 352.217 3.301 20 30 FGEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000173332591 705454486 /nfs/dbraw/zinc/45/44/86/705454486.db2.gz AFQQFUFXJORRNM-UHFFFAOYSA-N 0 3 355.404 3.192 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000619755907 714867268 /nfs/dbraw/zinc/86/72/68/714867268.db2.gz YGINMKIJYRFWRX-GFCCVEGCSA-N 0 3 363.870 3.434 20 30 FGEDHN C=CC[C@@H](CO)CNCc1cc(OC(F)F)ccc1Br ZINC000647199201 718339421 /nfs/dbraw/zinc/33/94/21/718339421.db2.gz RFPOILZDMUATIA-SNVBAGLBSA-N 0 3 350.203 3.325 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Cc3nccs3)CC2)CC1 ZINC000632986631 716853832 /nfs/dbraw/zinc/85/38/32/716853832.db2.gz DVFZGWNYZPZXLL-UHFFFAOYSA-N 0 3 362.543 3.148 20 30 FGEDHN CCn1cc(CC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000781449343 724565282 /nfs/dbraw/zinc/56/52/82/724565282.db2.gz ZQYQZAJQEHEODF-CQSZACIVSA-N 0 3 365.220 3.100 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC[C@@H](C)OC ZINC000782581793 724684054 /nfs/dbraw/zinc/68/40/54/724684054.db2.gz QPVALMYTECAOEG-VXGBXAGGSA-N 0 3 352.818 3.120 20 30 FGEDHN C=CCOc1c(Br)cc(CNC2([C@@H](C)O)CC2)cc1OCC ZINC000668697283 721334736 /nfs/dbraw/zinc/33/47/36/721334736.db2.gz ZIROCHMYGGLFPK-GFCCVEGCSA-N 0 3 370.287 3.416 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1 ZINC000674434940 721691751 /nfs/dbraw/zinc/69/17/51/721691751.db2.gz NWDBTKXDLVQMIN-TXEJJXNPSA-N 0 3 373.341 3.019 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000783773431 724788659 /nfs/dbraw/zinc/78/86/59/724788659.db2.gz KVCUNGQTQMOYAM-FQEVSTJZSA-N 0 3 356.539 3.151 20 30 FGEDHN COC(=O)CCCN1CCC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000727061037 722440718 /nfs/dbraw/zinc/44/07/18/722440718.db2.gz AHMOMSICEZDXLM-UHFFFAOYSA-N 0 3 368.821 3.065 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)NCCc1cccs1 ZINC000727695676 722446505 /nfs/dbraw/zinc/44/65/05/722446505.db2.gz FCKNASLSIUGNTQ-UHFFFAOYSA-N 0 3 372.563 3.101 20 30 FGEDHN CCOC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000730422385 722468388 /nfs/dbraw/zinc/46/83/88/722468388.db2.gz XCVFYPVWGREYFC-FZMZJTMJSA-N 0 3 363.414 3.382 20 30 FGEDHN C=CCOc1cccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000742724887 722559366 /nfs/dbraw/zinc/55/93/66/722559366.db2.gz WSLQJTHSJJUVNB-HNNXBMFYSA-N 0 3 360.479 3.474 20 30 FGEDHN C#CCOc1ccccc1CNCCOc1ncccc1C(F)(F)F ZINC000746753178 722617049 /nfs/dbraw/zinc/61/70/49/722617049.db2.gz CSAILGIZTMYWAA-UHFFFAOYSA-N 0 3 350.340 3.281 20 30 FGEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000756233675 722962045 /nfs/dbraw/zinc/96/20/45/722962045.db2.gz NOCBRZZKQAWAAK-GXFFZTMASA-N 0 3 356.394 3.321 20 30 FGEDHN Cc1cc(C)[nH]c(=NNC=C2CC(F)(F)CN2C(=O)OC(C)(C)C)n1 ZINC000792871288 723375971 /nfs/dbraw/zinc/37/59/71/723375971.db2.gz VIYQXXAGWJXXEY-LBPRGKRZSA-N 0 3 355.389 3.136 20 30 FGEDHN Cc1sc(Cl)nc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000764347120 723407831 /nfs/dbraw/zinc/40/78/31/723407831.db2.gz HSJYQVPUIVMLGD-UHFFFAOYSA-N 0 3 362.886 3.181 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1Cl ZINC000796628941 723647476 /nfs/dbraw/zinc/64/74/76/723647476.db2.gz FRIFQHCZNUZKAF-NTZNESFSSA-N 0 3 362.813 3.001 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCN(CCc3cccs3)CC2)cc1 ZINC000768357383 723655229 /nfs/dbraw/zinc/65/52/29/723655229.db2.gz JDHTYEZSWOWLQN-KRWDZBQOSA-N 0 3 355.507 3.399 20 30 FGEDHN C#CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000773107987 723776719 /nfs/dbraw/zinc/77/67/19/723776719.db2.gz SMFQSLLLHRZBPE-OXJNMPFZSA-N 0 3 356.491 3.352 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCC(=O)CC1 ZINC000773975934 723844872 /nfs/dbraw/zinc/84/48/72/723844872.db2.gz OMWUFSYFPHHKTH-CQSZACIVSA-N 0 3 366.389 3.408 20 30 FGEDHN N#CC(C(=O)C=CSc1cc(F)ccc1F)C(=O)Nc1ccccn1 ZINC000797942681 723888722 /nfs/dbraw/zinc/88/87/22/723888722.db2.gz VYLSPZHTBCMGNV-WMADIVHISA-N 0 3 359.357 3.313 20 30 FGEDHN N#CC(C(=O)C=CSc1cc(F)ccc1F)C(=O)Nc1ccccn1 ZINC000797942682 723888836 /nfs/dbraw/zinc/88/88/36/723888836.db2.gz VYLSPZHTBCMGNV-XYLWRLHESA-N 0 3 359.357 3.313 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)ncc2C)CC1 ZINC000776044677 724101786 /nfs/dbraw/zinc/10/17/86/724101786.db2.gz FTNIGENUFHVBEI-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)NCc1ccc(F)c(F)c1 ZINC000802212806 724364772 /nfs/dbraw/zinc/36/47/72/724364772.db2.gz DJDCFIXBAHBUNU-NSHDSACASA-N 0 3 368.792 3.247 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786294346 724971866 /nfs/dbraw/zinc/97/18/66/724971866.db2.gz PWBOYUAPYBWFOW-UPJWGTAASA-N 0 3 368.886 3.145 20 30 FGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)c1 ZINC000786539921 724987809 /nfs/dbraw/zinc/98/78/09/724987809.db2.gz FQCQJUDMVOUGRX-HNNXBMFYSA-N 0 3 358.800 3.355 20 30 FGEDHN CC(=O)[C@@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786541977 724988024 /nfs/dbraw/zinc/98/80/24/724988024.db2.gz XTKCYWVYHSAVBK-GUYCJALGSA-N 0 3 362.857 3.451 20 30 FGEDHN N#Cc1cc(Br)ccc1COC(=O)C1CCN(C2CC2)CC1 ZINC000805566536 725080586 /nfs/dbraw/zinc/08/05/86/725080586.db2.gz MEYWPDPWJAFQSJ-UHFFFAOYSA-N 0 3 363.255 3.238 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000805766608 725093210 /nfs/dbraw/zinc/09/32/10/725093210.db2.gz NITIBSVQZZEHLT-HQRMLTQVSA-N 0 3 354.475 3.092 20 30 FGEDHN N#CC(C(=O)Cc1cscc1Br)C(=O)Nc1ccccc1 ZINC000815907927 727106159 /nfs/dbraw/zinc/10/61/59/727106159.db2.gz OIRRRPLMFKLPRO-GFCCVEGCSA-N 0 3 363.236 3.401 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815908854 727106527 /nfs/dbraw/zinc/10/65/27/727106527.db2.gz KXBCOZGQVKOZAF-LBPRGKRZSA-N 0 3 356.744 3.015 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(Br)c2ccccc2c1 ZINC000818612323 727317226 /nfs/dbraw/zinc/31/72/26/727317226.db2.gz WICUDBSEUHMQBZ-UHFFFAOYSA-N 0 3 359.267 3.287 20 30 FGEDHN C#CCOc1ccccc1CNC[C@H](O)COCc1ccccc1Cl ZINC000819071894 727344625 /nfs/dbraw/zinc/34/46/25/727344625.db2.gz DBTNNWRVCSGYQD-SFHVURJKSA-N 0 3 359.853 3.019 20 30 FGEDHN N#CC(C(=O)CCCC(=O)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835064019 729854684 /nfs/dbraw/zinc/85/46/84/729854684.db2.gz AGQZBCHGVZYNRT-LBPRGKRZSA-N 0 3 350.777 3.276 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COCC2CCCC2)cc1Cl ZINC000835066333 729854964 /nfs/dbraw/zinc/85/49/64/729854964.db2.gz WFULPZZIKBUZAO-CQSZACIVSA-N 0 3 364.829 3.203 20 30 FGEDHN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835341325 729880053 /nfs/dbraw/zinc/88/00/53/729880053.db2.gz TYSJEXAOSGYDAB-GHMZBOCLSA-N 0 3 362.298 3.268 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000836488050 729957540 /nfs/dbraw/zinc/95/75/40/729957540.db2.gz FJEMLGKTDCQDOV-HNNXBMFYSA-N 0 3 359.367 3.074 20 30 FGEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000845593469 730869638 /nfs/dbraw/zinc/86/96/38/730869638.db2.gz JWEXXFVGWJQFBS-UHFFFAOYSA-N 0 3 359.392 3.286 20 30 FGEDHN N#CC1(COC(=O)[C@H]2CCCSC2)CCN(Cc2ccccc2)CC1 ZINC000847747015 731086675 /nfs/dbraw/zinc/08/66/75/731086675.db2.gz VSDYWBVOVVZJDA-SFHVURJKSA-N 0 3 358.507 3.479 20 30 FGEDHN CCC[C@H](C(=O)C(C#N)C(=O)NCCCOC)c1cccc(Cl)c1 ZINC000860460991 732517580 /nfs/dbraw/zinc/51/75/80/732517580.db2.gz CQNBSASGGBZIOD-JKSUJKDBSA-N 0 3 350.846 3.085 20 30 FGEDHN CC[C@@H](C(=O)C(C#N)C(=O)NC(C)C)c1ccc(Br)cc1 ZINC000860472553 732519235 /nfs/dbraw/zinc/51/92/35/732519235.db2.gz KPFIYWUKIJWEGU-ZIAGYGMSSA-N 0 3 351.244 3.176 20 30 FGEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2CCCN(Cc3cccs3)C2)C1=O ZINC000865301424 733176597 /nfs/dbraw/zinc/17/65/97/733176597.db2.gz LQTGQCHHRBETRX-HIFRSBDPSA-N 0 3 367.902 3.023 20 30 FGEDHN CCc1nn(C)c(Cl)c1CNC1CCN(c2ccccc2C#N)CC1 ZINC000865696368 733253745 /nfs/dbraw/zinc/25/37/45/733253745.db2.gz ATAOJAAOABSKQE-UHFFFAOYSA-N 0 3 357.889 3.266 20 30 FGEDHN N#Cc1ccc2[nH]c(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000871071681 733912463 /nfs/dbraw/zinc/91/24/63/733912463.db2.gz DMCOUBXZPYOKLE-WDEREUQCSA-N 0 3 352.316 3.121 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000876631092 736123820 /nfs/dbraw/zinc/12/38/20/736123820.db2.gz PUBMAIBANZYWKI-ZDUSSCGKSA-N 0 3 358.269 3.229 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000876725148 736136552 /nfs/dbraw/zinc/13/65/52/736136552.db2.gz NJZGXMLBAJPSKO-KBXCAEBGSA-N 0 3 359.857 3.308 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc(C#N)cnc2Cl)CC1 ZINC000877459217 736222405 /nfs/dbraw/zinc/22/24/05/736222405.db2.gz HHGFRKBKSPDAQW-OAHLLOKOSA-N 0 3 364.877 3.486 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000884048433 737628222 /nfs/dbraw/zinc/62/82/22/737628222.db2.gz KWHGEFQPDWDVFJ-MAXPVNGDSA-N 0 3 355.772 3.019 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Cl)cc1Cl ZINC000884053714 737628828 /nfs/dbraw/zinc/62/88/28/737628828.db2.gz FNBIABGULXFAMG-ZQGKVTOOSA-N 0 3 352.265 3.310 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccccc1SC(F)(F)F)C2 ZINC000884069199 737630577 /nfs/dbraw/zinc/63/05/77/737630577.db2.gz UOXPNKDSRMEDAQ-LOIXOFCESA-N 0 3 355.385 3.376 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1CCc3c1ccc(Cl)c3Cl)C2 ZINC000884139565 737637117 /nfs/dbraw/zinc/63/71/17/737637117.db2.gz VZQSGCQHNWOTAZ-HMBXTLCWSA-N 0 3 364.276 3.236 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccccc1CCC(F)(F)F)C2 ZINC000884171505 737640387 /nfs/dbraw/zinc/64/03/87/737640387.db2.gz XGYCGJBMSHVOAP-UUCFBXCCSA-N 0 3 351.372 3.259 20 30 FGEDHN COc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c(C2CC2)cc1Cl ZINC000884392561 737660606 /nfs/dbraw/zinc/66/06/06/737660606.db2.gz GJTKEBQSKMYLMA-FWHMADFJSA-N 0 3 359.857 3.304 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCOc3c(Br)cccc32)CCC1 ZINC000886190404 739227633 /nfs/dbraw/zinc/22/76/33/739227633.db2.gz PKEDUMPZNWGLEM-SWLSCSKDSA-N 0 3 365.271 3.307 20 30 FGEDHN C#CCN(C(=O)Cc1sc(C)nc1-c1cccs1)C1CCN(C)CC1 ZINC000886573239 739271277 /nfs/dbraw/zinc/27/12/77/739271277.db2.gz BGVZUUNABSOWNP-UHFFFAOYSA-N 0 3 373.547 3.279 20 30 FGEDHN C#CCN(C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)C1CCN(C)CC1 ZINC000886577770 739272036 /nfs/dbraw/zinc/27/20/36/739272036.db2.gz WQLHYSTYCLGKGT-UHFFFAOYSA-N 0 3 360.326 3.153 20 30 FGEDHN C#CCN(C(=O)c1oc2ccccc2c1CSC)C1CCN(C)CC1 ZINC000886587417 739272822 /nfs/dbraw/zinc/27/28/22/739272822.db2.gz VKOCTHYHXYPSDP-UHFFFAOYSA-N 0 3 356.491 3.465 20 30 FGEDHN CCCCc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000892550822 740016049 /nfs/dbraw/zinc/01/60/49/740016049.db2.gz UXJQABVQCMVWNJ-ZDUSSCGKSA-N 0 3 356.451 3.079 20 30 FGEDHN C=CCNc1ncc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)s1 ZINC000900684557 743150796 /nfs/dbraw/zinc/15/07/96/743150796.db2.gz BXZVANZOHGUKMQ-UHFFFAOYSA-N 0 3 360.483 3.071 20 30 FGEDHN C#CCN(C(=O)Nc1ccc(Br)cc1)C1CCN(C)CC1 ZINC000902985734 743795849 /nfs/dbraw/zinc/79/58/49/743795849.db2.gz MHPGOAMPKPHRCJ-UHFFFAOYSA-N 0 3 350.260 3.010 20 30 FGEDHN C#CCN(C(=O)c1ccccc1CCC(F)(F)F)C1CCN(C)CC1 ZINC000906451557 744133688 /nfs/dbraw/zinc/13/36/88/744133688.db2.gz IAGVYDSIKHROBE-UHFFFAOYSA-N 0 3 352.400 3.351 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccsc2)CC1(C)C ZINC000941093284 762176244 /nfs/dbraw/zinc/17/62/44/762176244.db2.gz MFBYJBGARAEJJK-BZSNNMDCSA-N 0 3 362.539 3.446 20 30 FGEDHN N#CC(C(=O)C1=Cc2cc(Br)ccc2OC1)c1ccccn1 ZINC000916881943 758149759 /nfs/dbraw/zinc/14/97/59/758149759.db2.gz WFKCVFPGTCXOHA-CQSZACIVSA-N 0 3 355.191 3.496 20 30 FGEDHN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000916883260 758151570 /nfs/dbraw/zinc/15/15/70/758151570.db2.gz HYLVYJAZVRDDEW-XJKSGUPXSA-N 0 3 358.829 3.452 20 30 FGEDHN CC(C)c1noc(CCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000916912156 758153812 /nfs/dbraw/zinc/15/38/12/758153812.db2.gz PAEDHDKCVAIWOR-LLVKDONJSA-N 0 3 360.801 3.127 20 30 FGEDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000922238320 758877478 /nfs/dbraw/zinc/87/74/78/758877478.db2.gz BWEXGGAYPBEHQF-YRVVQQKDSA-N 0 3 355.301 3.100 20 30 FGEDHN C=C1CCC(CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000922713551 758989969 /nfs/dbraw/zinc/98/99/69/758989969.db2.gz FYXMUFTZVAAZFF-HNNXBMFYSA-N 0 3 371.934 3.041 20 30 FGEDHN C[C@@H](CCC#N)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931001925 760749987 /nfs/dbraw/zinc/74/99/87/760749987.db2.gz SMFBIUUESPBQOA-ZDUSSCGKSA-N 0 3 354.376 3.134 20 30 FGEDHN C=CCC[C@@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941215 761280600 /nfs/dbraw/zinc/28/06/00/761280600.db2.gz JTIXDLVCSIYJQB-BBBLOLIVSA-N 0 3 367.280 3.416 20 30 FGEDHN COC(CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)OC ZINC000932943024 761281563 /nfs/dbraw/zinc/28/15/63/761281563.db2.gz JMRFFCYMMZQVBH-HTQZYQBOSA-N 0 3 371.268 3.098 20 30 FGEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](Cc2nccs2)C1)c1ccccc1 ZINC000934333283 761597700 /nfs/dbraw/zinc/59/77/00/761597700.db2.gz VUSJRAGTIZRDPW-YLJYHZDGSA-N 0 3 353.491 3.448 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2cccc(F)c2Cl)C1 ZINC000984825576 763806676 /nfs/dbraw/zinc/80/66/76/763806676.db2.gz CMBHWBKMNZSNPW-MMTVNHQJSA-N 0 3 366.864 3.055 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2ccc(F)cc2Cl)C1 ZINC000984826154 763806995 /nfs/dbraw/zinc/80/69/95/763806995.db2.gz MTEFFAHOAZQHTB-YMCQQKJTSA-N 0 3 366.864 3.055 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2cc(Cl)ccc2F)C1 ZINC000999428967 765160562 /nfs/dbraw/zinc/16/05/62/765160562.db2.gz VROFYWAQQDZBNY-IOTAOYMUSA-N 0 3 366.864 3.149 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC001015727259 765800069 /nfs/dbraw/zinc/80/00/69/765800069.db2.gz YPNWLKQQUSDGLX-JQHSSLGASA-N 0 3 356.491 3.183 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001022841957 766032705 /nfs/dbraw/zinc/03/27/05/766032705.db2.gz QKMJGWMLOABVEF-VVLHAWIVSA-N 0 3 363.299 3.244 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(CCCc2ccsc2)C1 ZINC001033086982 766205004 /nfs/dbraw/zinc/20/50/04/766205004.db2.gz NPOYGTRBYMSDQZ-OTWHNJEPSA-N 0 3 362.539 3.195 20 30 FGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC001039142314 766292684 /nfs/dbraw/zinc/29/26/84/766292684.db2.gz QRFGMHDYQKDESR-NSHGMRRFSA-N 0 3 366.933 3.259 20 30 FGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001040443077 766305553 /nfs/dbraw/zinc/30/55/53/766305553.db2.gz GUZJTHGIZUBILY-QKNQBKEWSA-N 0 3 356.897 3.391 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC001041736940 766341340 /nfs/dbraw/zinc/34/13/40/766341340.db2.gz BYQVUEXALWMURN-BJLQDIEVSA-N 0 3 360.523 3.154 20 30 FGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2 ZINC001045973773 766578973 /nfs/dbraw/zinc/57/89/73/766578973.db2.gz UTOMHEVOYZAQKD-OPYAIIAOSA-N 0 3 356.535 3.498 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001049485367 766788204 /nfs/dbraw/zinc/78/82/04/766788204.db2.gz MVUWRPPSJFDPHG-YRXWBPOGSA-N 0 3 360.523 3.295 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001054134182 766997939 /nfs/dbraw/zinc/99/79/39/766997939.db2.gz WADNMKKKJWRIGF-WMQMGCBPSA-N 0 3 352.906 3.035 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000570805236 505585154 /nfs/dbraw/zinc/58/51/54/505585154.db2.gz FFFAYEKKPHRQPE-NRFANRHFSA-N 0 3 364.449 3.353 20 30 FGEDHN CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000576844038 505607658 /nfs/dbraw/zinc/60/76/58/505607658.db2.gz QIWDIRLYKNNKPG-IBGZPJMESA-N 0 3 351.425 3.434 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000570921321 505612190 /nfs/dbraw/zinc/61/21/90/505612190.db2.gz WLAIOJKUTTXZBE-VQIMIIECSA-N 0 3 365.539 3.329 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc(C#N)ccn2)N(C)C)cc1 ZINC000579879790 505637386 /nfs/dbraw/zinc/63/73/86/505637386.db2.gz TZRLCIHVBTWBNR-FQEVSTJZSA-N 0 3 350.466 3.184 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc(C#N)ccn2)N(C)C)cc1 ZINC000579879791 505637513 /nfs/dbraw/zinc/63/75/13/505637513.db2.gz TZRLCIHVBTWBNR-HXUWFJFHSA-N 0 3 350.466 3.184 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCC#Cc2cccc(F)c2)N(C)C)cc1 ZINC000571063698 505645225 /nfs/dbraw/zinc/64/52/25/505645225.db2.gz KQJHIAMHLVKUHI-OAQYLSRUSA-N 0 3 367.468 3.342 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000571082761 505649928 /nfs/dbraw/zinc/64/99/28/505649928.db2.gz WEUDWFBUWYVJRQ-IAGOWNOFSA-N 0 3 350.466 3.439 20 30 FGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)CC(C)(C)CN1CCOCC1 ZINC000571096998 505652491 /nfs/dbraw/zinc/65/24/91/505652491.db2.gz FNUMVLPLFRUFAE-UHFFFAOYSA-N 0 3 369.431 3.367 20 30 FGEDHN C=CCn1c(CC(C)C)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000577148559 505673828 /nfs/dbraw/zinc/67/38/28/505673828.db2.gz XXQCMRZTZSYRLD-UHFFFAOYSA-N 0 3 353.514 3.375 20 30 FGEDHN CSCc1cc(F)ccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000574032655 505677640 /nfs/dbraw/zinc/67/76/40/505677640.db2.gz NEYFLVMSNDYLLN-SFHVURJKSA-N 0 3 360.454 3.090 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000028917782 493807678 /nfs/dbraw/zinc/80/76/78/493807678.db2.gz KACYCAIWNUKWNV-IERDGZPVSA-N 0 3 368.477 3.464 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000068387800 493810264 /nfs/dbraw/zinc/81/02/64/493810264.db2.gz WMYKQEGNDCZSCG-INIZCTEOSA-N 0 3 350.466 3.216 20 30 FGEDHN CCCN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000081079780 493825944 /nfs/dbraw/zinc/82/59/44/493825944.db2.gz FYJCWJKKLKINIE-FQEVSTJZSA-N 0 3 364.493 3.414 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000068885045 493888490 /nfs/dbraw/zinc/88/84/90/493888490.db2.gz UBSQDAOJPHYYNG-QZTJIDSGSA-N 0 3 354.498 3.376 20 30 FGEDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000058883219 493890930 /nfs/dbraw/zinc/89/09/30/493890930.db2.gz OERAOESXIQBHFJ-UHFFFAOYSA-N 0 3 369.465 3.390 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cccc([N+](=O)[O-])c3)C2)c(F)c1 ZINC000068991060 493903896 /nfs/dbraw/zinc/90/38/96/493903896.db2.gz XZEHXJHPDURRML-MRXNPFEDSA-N 0 3 354.385 3.364 20 30 FGEDHN CCN(C[C@H]1CCN(CCOc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000081558113 493915605 /nfs/dbraw/zinc/91/56/05/493915605.db2.gz XWQPZZZGZGOXIH-MRXNPFEDSA-N 0 3 355.404 3.143 20 30 FGEDHN CCN1C[C@@H](CN(C)CCOc2ccccc2C#N)Oc2ccccc21 ZINC000060465966 493936158 /nfs/dbraw/zinc/93/61/58/493936158.db2.gz GKSZNYVRTRSCGW-GOSISDBHSA-N 0 3 351.450 3.156 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2C)CC1 ZINC000069703799 493999899 /nfs/dbraw/zinc/99/98/99/493999899.db2.gz FHYDSTFLUKCGQH-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN C=CCN(CCC(=O)Nc1cc(N)ccc1F)Cc1cccc(C#N)c1 ZINC000083169568 494001781 /nfs/dbraw/zinc/00/17/81/494001781.db2.gz KIUWPGPSQWNOJC-UHFFFAOYSA-N 0 3 352.413 3.296 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H](OCC)C2CCCC2)CC1 ZINC000083216804 494009071 /nfs/dbraw/zinc/00/90/71/494009071.db2.gz QWGTWKXAZBPOGU-LJQANCHMSA-N 0 3 351.535 3.312 20 30 FGEDHN COc1ccccc1[C@@H]1CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000077318488 494056437 /nfs/dbraw/zinc/05/64/37/494056437.db2.gz RWCBFQSWFWESES-QGZVFWFLSA-N 0 3 352.434 3.444 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063495078 494060178 /nfs/dbraw/zinc/06/01/78/494060178.db2.gz JRZCBRZBAYRCGB-KRWDZBQOSA-N 0 3 364.367 3.449 20 30 FGEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000077418004 494079738 /nfs/dbraw/zinc/07/97/38/494079738.db2.gz YHDYSERYAABVHV-AWEZNQCLSA-N 0 3 350.422 3.390 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000064431693 494123423 /nfs/dbraw/zinc/12/34/23/494123423.db2.gz REVYSZLCCWHIAI-UHFFFAOYSA-N 0 3 363.461 3.037 20 30 FGEDHN CC(C)C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000577298128 505702267 /nfs/dbraw/zinc/70/22/67/505702267.db2.gz HLZAKBFFRJWPBT-GOSISDBHSA-N 0 3 357.479 3.104 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000087116363 494173974 /nfs/dbraw/zinc/17/39/74/494173974.db2.gz MKLZSMKMURBSNR-KRWDZBQOSA-N 0 3 356.514 3.297 20 30 FGEDHN N#CCCC1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000568506152 505711443 /nfs/dbraw/zinc/71/14/43/505711443.db2.gz OIWHTKSCNZWQSN-OAHLLOKOSA-N 0 3 356.388 3.461 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000055157086 494307917 /nfs/dbraw/zinc/30/79/17/494307917.db2.gz YVLYXKANPIYWEA-PMACEKPBSA-N 0 3 354.425 3.144 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000577369406 505714545 /nfs/dbraw/zinc/71/45/45/505714545.db2.gz CAFGFPYSEYRAJF-FPOVZHCZSA-N 0 3 369.509 3.441 20 30 FGEDHN C=CCNC(=O)c1ccc(N2CC[C@H](C)N(Cc3ccccc3)CC2)nc1 ZINC000078689539 494344100 /nfs/dbraw/zinc/34/41/00/494344100.db2.gz FVOIFGBJECOEEW-SFHVURJKSA-N 0 3 364.493 3.098 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000044566463 494366334 /nfs/dbraw/zinc/36/63/34/494366334.db2.gz OOFNPLVHKCQUJZ-UHFFFAOYSA-N 0 3 363.461 3.327 20 30 FGEDHN N#Cc1cccc(CNC(=O)NC2CCN(CCc3ccccc3)CC2)c1 ZINC000078938014 494381212 /nfs/dbraw/zinc/38/12/12/494381212.db2.gz RLKMTHZARSGVCJ-UHFFFAOYSA-N 0 3 362.477 3.065 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000079304136 494433393 /nfs/dbraw/zinc/43/33/93/494433393.db2.gz UKKLUVMNIQCAHL-CVEARBPZSA-N 0 3 370.497 3.210 20 30 FGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000090107792 494442909 /nfs/dbraw/zinc/44/29/09/494442909.db2.gz YTBDRYFDTKBMTM-OAHLLOKOSA-N 0 3 351.406 3.244 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)C(C)C ZINC000046049228 494490189 /nfs/dbraw/zinc/49/01/89/494490189.db2.gz DIPRMYCASQVXSA-HXUWFJFHSA-N 0 3 369.509 3.242 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2c(C)nn(C)c2s1)C(C)C ZINC000046049037 494490269 /nfs/dbraw/zinc/49/02/69/494490269.db2.gz LZKNODURPMYAFK-MRXNPFEDSA-N 0 3 360.527 3.372 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)C(C)C ZINC000046905631 494583774 /nfs/dbraw/zinc/58/37/74/494583774.db2.gz BALYKDNOIRDJIR-FQEVSTJZSA-N 0 3 354.498 3.398 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC000080079366 494588428 /nfs/dbraw/zinc/58/84/28/494588428.db2.gz WKMRRISRCAAECV-UHFFFAOYSA-N 0 3 361.461 3.191 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000080079815 494588450 /nfs/dbraw/zinc/58/84/50/494588450.db2.gz AYYXMSSFOWJWOB-UHFFFAOYSA-N 0 3 366.465 3.384 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1Cl ZINC000047010886 494615972 /nfs/dbraw/zinc/61/59/72/494615972.db2.gz VINMAWQLBWWXLU-UHFFFAOYSA-N 0 3 371.868 3.181 20 30 FGEDHN COc1ccccc1OC[C@H](C)CNCc1cnc2ccc(C#N)cn12 ZINC000131450132 494622392 /nfs/dbraw/zinc/62/23/92/494622392.db2.gz HBYAUOCPDBYTSJ-OAHLLOKOSA-N 0 3 350.422 3.019 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)CC1 ZINC000057177415 494668753 /nfs/dbraw/zinc/66/87/53/494668753.db2.gz IDWBDBSDGBVALT-GOSISDBHSA-N 0 3 356.510 3.256 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(c3nncn3C)CC2)ccc1OC ZINC000091795879 494685432 /nfs/dbraw/zinc/68/54/32/494685432.db2.gz MDUPBINIXDOYQJ-UHFFFAOYSA-N 0 3 356.470 3.158 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3cc(C)c(C#N)cn3)C2)s1 ZINC000571453205 505736474 /nfs/dbraw/zinc/73/64/74/505736474.db2.gz OAAQAYGXCHUYHU-INIZCTEOSA-N 0 3 368.506 3.226 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H](CNC(=O)CCC)C2)cc(OC)c1O ZINC000092707635 494720622 /nfs/dbraw/zinc/72/06/22/494720622.db2.gz JQQKGCGPCYILDB-MRXNPFEDSA-N 0 3 360.498 3.258 20 30 FGEDHN N#CC1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000057432623 494746595 /nfs/dbraw/zinc/74/65/95/494746595.db2.gz GFGRICHVLYRGRT-UHFFFAOYSA-N 0 3 368.525 3.179 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000577501925 505741549 /nfs/dbraw/zinc/74/15/49/505741549.db2.gz DHLFFZXUEWGSIV-AVRWGWEMSA-N 0 3 361.511 3.228 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCc2cccc(C#N)c2)N(C)C)cc1 ZINC000047937677 494797233 /nfs/dbraw/zinc/79/72/33/494797233.db2.gz QGXKQDLPEOMNRA-HXUWFJFHSA-N 0 3 350.466 3.223 20 30 FGEDHN COC(=O)CC1(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000568640962 505742925 /nfs/dbraw/zinc/74/29/25/505742925.db2.gz APEGXNHBYKJDGH-UHFFFAOYSA-N 0 3 350.418 3.323 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000126860084 494851764 /nfs/dbraw/zinc/85/17/64/494851764.db2.gz UGSRYYCKHOPLLV-UHFFFAOYSA-N 0 3 370.403 3.220 20 30 FGEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000132312426 494854982 /nfs/dbraw/zinc/85/49/82/494854982.db2.gz KCPYDGZNVQGPBF-UHFFFAOYSA-N 0 3 357.841 3.121 20 30 FGEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116807171 494855936 /nfs/dbraw/zinc/85/59/36/494855936.db2.gz QQFBETYEYFJENO-DENIHFKCSA-N 0 3 368.525 3.177 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2csc(-c3ccco3)n2)CC1 ZINC000132529305 494888028 /nfs/dbraw/zinc/88/80/28/494888028.db2.gz AOYNHJFSFAKYOT-UHFFFAOYSA-N 0 3 360.483 3.243 20 30 FGEDHN C[C@@H]1SCCN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000118422420 495002017 /nfs/dbraw/zinc/00/20/17/495002017.db2.gz QJUWLNHJVNXKAP-LRQRDZAKSA-N 0 3 368.502 3.477 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2ccnn2)cc1)c1nc(-c2ccncc2)cs1 ZINC000127966594 495023909 /nfs/dbraw/zinc/02/39/09/495023909.db2.gz YLLKXASOYVPLMK-MRXNPFEDSA-N 0 3 372.413 3.276 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000110995943 495029016 /nfs/dbraw/zinc/02/90/16/495029016.db2.gz WEEFJLIQDXGWKB-KRWDZBQOSA-N 0 3 367.449 3.334 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097359748 495033063 /nfs/dbraw/zinc/03/30/63/495033063.db2.gz NKHZVDQMCQUOGC-HNNXBMFYSA-N 0 3 367.415 3.231 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCC1(c2ccccc2C)CCOCC1 ZINC000098123399 495059592 /nfs/dbraw/zinc/05/95/92/495059592.db2.gz TUAOYMNFEQEISY-LJQANCHMSA-N 0 3 358.526 3.446 20 30 FGEDHN C[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000111503830 495083028 /nfs/dbraw/zinc/08/30/28/495083028.db2.gz JZLINYCGNZHXAE-KRWDZBQOSA-N 0 3 350.466 3.220 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000133947913 495085172 /nfs/dbraw/zinc/08/51/72/495085172.db2.gz WVJSUBBFOGTCRL-WOJBJXKFSA-N 0 3 354.475 3.258 20 30 FGEDHN C[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N1[C@H](C)CC[C@H]1C ZINC000101633244 495087691 /nfs/dbraw/zinc/08/76/91/495087691.db2.gz WBSVSCDVZGHRMO-KFWWJZLASA-N 0 3 352.400 3.434 20 30 FGEDHN O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H](N2CCCC2)C1 ZINC000111769317 495110018 /nfs/dbraw/zinc/11/00/18/495110018.db2.gz OWNLEIKEUXXSTR-NRFANRHFSA-N 0 3 360.461 3.183 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)[N-]C[C@@H]2CCCCO2)c1 ZINC000134184867 495118572 /nfs/dbraw/zinc/11/85/72/495118572.db2.gz WUALCHMEWIZLJP-SFHVURJKSA-O 0 3 369.510 3.380 20 30 FGEDHN C=CC1CCN(C(=O)N[C@H](CCN(C)CCOC)c2ccccc2)CC1 ZINC000111855855 495121699 /nfs/dbraw/zinc/12/16/99/495121699.db2.gz CQMLUPKSWHVRLM-HXUWFJFHSA-N 0 3 359.514 3.304 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000111885949 495125749 /nfs/dbraw/zinc/12/57/49/495125749.db2.gz KUVTZZAQEZNVPX-IBGZPJMESA-N 0 3 357.498 3.411 20 30 FGEDHN Cc1cc(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)ccc1C#N ZINC000571569289 505762980 /nfs/dbraw/zinc/76/29/80/505762980.db2.gz YJXWBRZXVUNJIN-AVRDEDQJSA-N 0 3 350.462 3.409 20 30 FGEDHN N#Cc1ccc2ncc(CNCCCOc3cccc4cccnc43)n2c1 ZINC000123748092 495180389 /nfs/dbraw/zinc/18/03/89/495180389.db2.gz MXNUWMRUEUEOPZ-UHFFFAOYSA-N 0 3 357.417 3.313 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)CC1 ZINC000119820265 495248022 /nfs/dbraw/zinc/24/80/22/495248022.db2.gz DFHISAVWTACLBD-HNNXBMFYSA-N 0 3 358.457 3.137 20 30 FGEDHN C#CCOc1ccc(CNCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000113327858 495296825 /nfs/dbraw/zinc/29/68/25/495296825.db2.gz WVOUXBYGFXIBFO-OAQYLSRUSA-N 0 3 364.445 3.106 20 30 FGEDHN COc1ccc(CNCCC(=O)Nc2ccccc2)cc1OCCCC#N ZINC000113346325 495298577 /nfs/dbraw/zinc/29/85/77/495298577.db2.gz AYTRAQOWTLFKEZ-UHFFFAOYSA-N 0 3 367.449 3.496 20 30 FGEDHN CCCCc1oc2ccccc2c1CNCCNC(=O)C1N=CC=CC1=O ZINC000113360944 495299889 /nfs/dbraw/zinc/29/98/89/495299889.db2.gz FTNCOHFRZHSZME-QZQOTICOSA-N 0 3 367.449 3.391 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000105644117 495379404 /nfs/dbraw/zinc/37/94/04/495379404.db2.gz LGPRRLMJJGBKGR-UHFFFAOYSA-N 0 3 366.440 3.161 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000106321527 495444159 /nfs/dbraw/zinc/44/41/59/495444159.db2.gz BMIMZTQDYGFRJC-HXUWFJFHSA-N 0 3 373.497 3.406 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCOC)c(F)c2)CC1 ZINC000106323464 495445102 /nfs/dbraw/zinc/44/51/02/495445102.db2.gz FZEVXZUSSPGVDG-UHFFFAOYSA-N 0 3 365.449 3.013 20 30 FGEDHN CCN1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115376532 495497039 /nfs/dbraw/zinc/49/70/39/495497039.db2.gz HSYDWMODHVCGEL-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1C#N ZINC000106791465 495497271 /nfs/dbraw/zinc/49/72/71/495497271.db2.gz GHYPCXNEEFFKFK-AWEZNQCLSA-N 0 3 370.522 3.299 20 30 FGEDHN CN1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106911500 495510762 /nfs/dbraw/zinc/51/07/62/495510762.db2.gz BBDCMZRTKTWHDZ-HNNXBMFYSA-N 0 3 353.397 3.314 20 30 FGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000106936694 495515074 /nfs/dbraw/zinc/51/50/74/495515074.db2.gz GUSNRSPRMNNJSI-PBHICJAKSA-N 0 3 359.495 3.259 20 30 FGEDHN CC1CCC(N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000115567950 495518387 /nfs/dbraw/zinc/51/83/87/495518387.db2.gz UQPHTSOFPOEEKB-UHFFFAOYSA-N 0 3 374.916 3.346 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000173604141 495609912 /nfs/dbraw/zinc/60/99/12/495609912.db2.gz GPPZNGXOEHHORK-UHFFFAOYSA-N 0 3 374.554 3.402 20 30 FGEDHN C=C(C)CN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2C(=O)OCC)CC1 ZINC000571694312 505792422 /nfs/dbraw/zinc/79/24/22/505792422.db2.gz JASKLNGEJQOLBP-UHFFFAOYSA-N 0 3 365.405 3.363 20 30 FGEDHN CCN(CC)C(=O)CCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000182573644 495620614 /nfs/dbraw/zinc/62/06/14/495620614.db2.gz FZGUKKQIUAHYQR-UHFFFAOYSA-N 0 3 357.498 3.298 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000170936792 495659491 /nfs/dbraw/zinc/65/94/91/495659491.db2.gz KEGRORMJWLPVEW-UHFFFAOYSA-N 0 3 370.428 3.096 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000176501511 495674704 /nfs/dbraw/zinc/67/47/04/495674704.db2.gz LDFSYVYRSXAMDT-HXUWFJFHSA-N 0 3 371.525 3.275 20 30 FGEDHN Cc1oc2ccccc2c1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000568873553 505797731 /nfs/dbraw/zinc/79/77/31/505797731.db2.gz DKHFLANNBRAFHU-KRWDZBQOSA-N 0 3 350.418 3.337 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000185734980 495701981 /nfs/dbraw/zinc/70/19/81/495701981.db2.gz CNXLFZNANLTXNH-UXHICEINSA-N 0 3 371.525 3.320 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182834457 495721275 /nfs/dbraw/zinc/72/12/75/495721275.db2.gz ZEBVMLYANPFHEV-HOTGVXAUSA-N 0 3 364.371 3.144 20 30 FGEDHN COc1c(C)cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C ZINC000179771272 495729174 /nfs/dbraw/zinc/72/91/74/495729174.db2.gz QBNOWNXCHMIPLD-UHFFFAOYSA-N 0 3 365.477 3.388 20 30 FGEDHN C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571730802 505800742 /nfs/dbraw/zinc/80/07/42/505800742.db2.gz TVUKGIYIRLICAZ-IIBYNOLFSA-N 0 3 354.425 3.239 20 30 FGEDHN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(OCCN(C)C)c1 ZINC000151321410 495804760 /nfs/dbraw/zinc/80/47/60/495804760.db2.gz NZDXJNAJSCWAPZ-INIZCTEOSA-N 0 3 367.449 3.213 20 30 FGEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1C(F)(F)F ZINC000174094245 495818829 /nfs/dbraw/zinc/81/88/29/495818829.db2.gz GUZORSACQRBMCK-AWEZNQCLSA-N 0 3 350.344 3.055 20 30 FGEDHN Cn1cc(CNCCN2CCc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180042884 495833899 /nfs/dbraw/zinc/83/38/99/495833899.db2.gz QQNRQEUVJWGTKI-UHFFFAOYSA-N 0 3 371.488 3.107 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]2CCCOC2)c1 ZINC000174145864 495836515 /nfs/dbraw/zinc/83/65/15/495836515.db2.gz VXXXFQWXXRJJKA-OALUTQOASA-N 0 3 357.498 3.297 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000176955381 495855979 /nfs/dbraw/zinc/85/59/79/495855979.db2.gz JVIZROHHXLWHET-GFCCVEGCSA-N 0 3 356.369 3.168 20 30 FGEDHN C=C(C)COCCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186114119 495860454 /nfs/dbraw/zinc/86/04/54/495860454.db2.gz VKGMDLMHUVVLGD-MOPGFXCFSA-N 0 3 351.512 3.262 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180235347 495919519 /nfs/dbraw/zinc/91/95/19/495919519.db2.gz AUTRBVMGTJSYRD-UHFFFAOYSA-N 0 3 363.465 3.347 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCCOc2ccc(F)cc2)CC1 ZINC000171552572 495924443 /nfs/dbraw/zinc/92/44/43/495924443.db2.gz PFXLNNYTWLTUPU-UHFFFAOYSA-N 0 3 363.477 3.324 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000171560946 495927818 /nfs/dbraw/zinc/92/78/18/495927818.db2.gz LDCVKZCSMUZDGW-UHFFFAOYSA-N 0 3 355.482 3.231 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(-n2cccn2)cc1 ZINC000174374901 495932611 /nfs/dbraw/zinc/93/26/11/495932611.db2.gz ADAVFLNYQMCDPA-CVEARBPZSA-N 0 3 359.433 3.422 20 30 FGEDHN CCN(C(=O)c1ccccc1OCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186327181 495949937 /nfs/dbraw/zinc/94/99/37/495949937.db2.gz JSXPLCDGXJGSIO-LJQANCHMSA-N 0 3 363.461 3.326 20 30 FGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000171718387 496004712 /nfs/dbraw/zinc/00/47/12/496004712.db2.gz WWFQWWMIXLGFGD-UHFFFAOYSA-N 0 3 365.315 3.493 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000171717801 496005177 /nfs/dbraw/zinc/00/51/77/496005177.db2.gz OUIBGXJPCDJFJS-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccccc2OCC(F)(F)F)CC1 ZINC000171721414 496006901 /nfs/dbraw/zinc/00/69/01/496006901.db2.gz TZOHEIJJQKTNBD-UHFFFAOYSA-N 0 3 371.403 3.077 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000171741002 496016493 /nfs/dbraw/zinc/01/64/93/496016493.db2.gz QYSVSKDKENVBBE-UHFFFAOYSA-N 0 3 370.497 3.085 20 30 FGEDHN N#Cc1cccc(NCC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000155842096 496085293 /nfs/dbraw/zinc/08/52/93/496085293.db2.gz WQBOTVTUTXBFQX-KRWDZBQOSA-N 0 3 368.506 3.060 20 30 FGEDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000186672335 496101184 /nfs/dbraw/zinc/10/11/84/496101184.db2.gz ZUPXJZWPKMDEHP-SFHVURJKSA-N 0 3 365.861 3.108 20 30 FGEDHN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(C)(C)CCC#N ZINC000161126700 496108897 /nfs/dbraw/zinc/10/88/97/496108897.db2.gz HLCZTHDPIUOPJA-QGZVFWFLSA-N 0 3 374.481 3.496 20 30 FGEDHN N#Cc1csc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000177690230 496160705 /nfs/dbraw/zinc/16/07/05/496160705.db2.gz YPDOMFYFSBAMJX-CYBMUJFWSA-N 0 3 356.369 3.168 20 30 FGEDHN N#Cc1csc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000177690673 496161176 /nfs/dbraw/zinc/16/11/76/496161176.db2.gz QGEJJUMEBZCLOC-LLVKDONJSA-N 0 3 357.262 3.456 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000180836774 496165071 /nfs/dbraw/zinc/16/50/71/496165071.db2.gz QBMNGAKXMOTCDA-SFHVURJKSA-N 0 3 373.460 3.470 20 30 FGEDHN COCCN(CCc1ccccc1C(=O)OC)Cc1ccc(C#N)cc1 ZINC000186843897 496177380 /nfs/dbraw/zinc/17/73/80/496177380.db2.gz YOYHJVFAIYQEOJ-UHFFFAOYSA-N 0 3 352.434 3.036 20 30 FGEDHN N#CCCn1cc(CNC[C@H](O)c2ccsc2)c(-c2ccccc2)n1 ZINC000152564260 496189357 /nfs/dbraw/zinc/18/93/57/496189357.db2.gz MRTQWVBBGWKKTO-SFHVURJKSA-N 0 3 352.463 3.348 20 30 FGEDHN CN(C)C1(CN(C)CC(=O)c2cn(CCC#N)c3ccccc23)CCC1 ZINC000186973960 496235507 /nfs/dbraw/zinc/23/55/07/496235507.db2.gz JDXBVCALCQRINX-UHFFFAOYSA-N 0 3 352.482 3.154 20 30 FGEDHN CCC(CC)n1nc(C)cc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000181055349 496254703 /nfs/dbraw/zinc/25/47/03/496254703.db2.gz GFXGBRVMYQMBED-HNNXBMFYSA-N 0 3 354.458 3.361 20 30 FGEDHN COc1cc(CN(C)C[C@H](O)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000156629109 496297348 /nfs/dbraw/zinc/29/73/48/496297348.db2.gz PCEFGZJGYHZJKR-FQEVSTJZSA-N 0 3 366.461 3.349 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N(CC#N)C3CCCC3)cc2)CC1 ZINC000172454259 496302096 /nfs/dbraw/zinc/30/20/96/496302096.db2.gz AWCQWCVBPDNQFV-UHFFFAOYSA-N 0 3 354.498 3.125 20 30 FGEDHN CCOC(=O)CC[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000162152830 496305682 /nfs/dbraw/zinc/30/56/82/496305682.db2.gz QRCZZDNKRMNIHV-MRXNPFEDSA-N 0 3 360.454 3.001 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H](CO)CC=C)cc1OC ZINC000184280995 496318546 /nfs/dbraw/zinc/31/85/46/496318546.db2.gz CRAJBDYBDPZNCY-ZDUSSCGKSA-N 0 3 356.260 3.049 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000578003632 505839672 /nfs/dbraw/zinc/83/96/72/505839672.db2.gz NZWHJIPDBICPHY-KSSFIOAISA-N 0 3 354.479 3.082 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCN(C3CC3)CC2)c1 ZINC000172541581 496334689 /nfs/dbraw/zinc/33/46/89/496334689.db2.gz MGXMZRDFTLWREW-LJQANCHMSA-N 0 3 368.525 3.109 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCC[C@]2(C)CO)c1C#N ZINC000578003713 505839727 /nfs/dbraw/zinc/83/97/27/505839727.db2.gz HEXNGRULHVGUNJ-WIYYLYMNSA-N 0 3 372.513 3.171 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181326786 496354774 /nfs/dbraw/zinc/35/47/74/496354774.db2.gz BZTIKNPQBUWFNV-JKSUJKDBSA-N 0 3 359.470 3.107 20 30 FGEDHN C[C@@H]1CCC[C@@H](CO)N1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000181381618 496373060 /nfs/dbraw/zinc/37/30/60/496373060.db2.gz FTLWAHJXHFHJJL-KGLIPLIRSA-N 0 3 361.511 3.062 20 30 FGEDHN C[C@@H]1CCN(C(=O)NCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000175445782 496394607 /nfs/dbraw/zinc/39/46/07/496394607.db2.gz UBTRCXMJSCHJGD-GOSISDBHSA-N 0 3 362.477 3.364 20 30 FGEDHN C[C@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000181449263 496399858 /nfs/dbraw/zinc/39/98/58/496399858.db2.gz IJTXUADAIYMYIU-KRWDZBQOSA-N 0 3 352.457 3.170 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181463060 496406587 /nfs/dbraw/zinc/40/65/87/496406587.db2.gz OSXFMFQUOPFPRQ-LBPRGKRZSA-N 0 3 361.327 3.212 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000175590972 496455387 /nfs/dbraw/zinc/45/53/87/496455387.db2.gz QLEBZFDUCFZWIL-MJGOQNOKSA-N 0 3 374.916 3.145 20 30 FGEDHN CC(C)CCN(CCC#N)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000163426275 496513740 /nfs/dbraw/zinc/51/37/40/496513740.db2.gz ZBESKOZUQYZAHE-UHFFFAOYSA-N 0 3 371.525 3.293 20 30 FGEDHN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000181776837 496540501 /nfs/dbraw/zinc/54/05/01/496540501.db2.gz BKKALSQDLOKNCM-MRXNPFEDSA-N 0 3 356.491 3.288 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000187766358 496563287 /nfs/dbraw/zinc/56/32/87/496563287.db2.gz XVJFNJOSQFUJMD-WIYYLYMNSA-N 0 3 359.514 3.010 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000178794947 496574036 /nfs/dbraw/zinc/57/40/36/496574036.db2.gz QWNGAYPLIPWOSZ-UHFFFAOYSA-N 0 3 359.214 3.108 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)Oc2ccccc2Cl)CC1 ZINC000173196987 496588722 /nfs/dbraw/zinc/58/87/22/496588722.db2.gz RKYRPODUAAFDNB-AWEZNQCLSA-N 0 3 351.878 3.057 20 30 FGEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000153911972 496621467 /nfs/dbraw/zinc/62/14/67/496621467.db2.gz LJKVXMUOZHIJGQ-MRXNPFEDSA-N 0 3 369.415 3.431 20 30 FGEDHN NC(=O)C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000182006021 496632127 /nfs/dbraw/zinc/63/21/27/496632127.db2.gz UIKNHSCGJNMYKF-QGZVFWFLSA-N 0 3 352.400 3.471 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3nnc(CC)o3)cc2)CC1 ZINC000176009497 496642076 /nfs/dbraw/zinc/64/20/76/496642076.db2.gz DTVPTSCVUIUTOA-UHFFFAOYSA-N 0 3 355.442 3.071 20 30 FGEDHN N#CC(C(=O)c1cnn2c1CCCC2)c1nc2ccccc2n1C(F)F ZINC000179041911 496655237 /nfs/dbraw/zinc/65/52/37/496655237.db2.gz GBNTVANVMUJJRG-LLVKDONJSA-N 0 3 355.348 3.454 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000182174048 496697356 /nfs/dbraw/zinc/69/73/56/496697356.db2.gz JPVKCBBWKIQDTL-CQSZACIVSA-N 0 3 352.400 3.098 20 30 FGEDHN CN(C(=O)Nc1cccc(OCC#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268560959 496736683 /nfs/dbraw/zinc/73/66/83/496736683.db2.gz PEUMQRVRTNTEBB-IBGZPJMESA-N 0 3 364.449 3.327 20 30 FGEDHN CN(C(=O)Nc1ccc(C#N)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000263989837 496782210 /nfs/dbraw/zinc/78/22/10/496782210.db2.gz CFXORCIRWFRJAE-UHFFFAOYSA-N 0 3 363.465 3.124 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000188419433 496783433 /nfs/dbraw/zinc/78/34/33/496783433.db2.gz JIDLBNQZSNERLA-FQEVSTJZSA-N 0 3 362.539 3.445 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273395671 496793522 /nfs/dbraw/zinc/79/35/22/496793522.db2.gz FXHFJUIEPJLJQL-NSHGMRRFSA-N 0 3 361.461 3.032 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2OC(F)F)CC1 ZINC000191547108 496806333 /nfs/dbraw/zinc/80/63/33/496806333.db2.gz OUZYHBLRTBGVCT-UHFFFAOYSA-N 0 3 354.397 3.067 20 30 FGEDHN COc1cccc([C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000195141539 496833015 /nfs/dbraw/zinc/83/30/15/496833015.db2.gz KLQYICPDRZBBSG-QGZVFWFLSA-N 0 3 365.477 3.261 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(c3cccc(OC)c3)C2)CC1 ZINC000273594535 496849402 /nfs/dbraw/zinc/84/94/02/496849402.db2.gz MDUNKGVUKHLORF-UHFFFAOYSA-N 0 3 355.482 3.144 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(OCCCC#N)c2)[C@]12CCCO2 ZINC000273599765 496849738 /nfs/dbraw/zinc/84/97/38/496849738.db2.gz LNFYZTIRWPSFOC-NJDAHSKKSA-N 0 3 374.481 3.194 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2sccc2[nH]1 ZINC000188663025 496869163 /nfs/dbraw/zinc/86/91/63/496869163.db2.gz KYCFQXMECFVZDW-UHFFFAOYSA-N 0 3 352.463 3.305 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000264358968 496881297 /nfs/dbraw/zinc/88/12/97/496881297.db2.gz NYKSVXSVXUAITJ-LJQANCHMSA-N 0 3 373.497 3.201 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccccc2N2CCCC2)CC1 ZINC000264367284 496883899 /nfs/dbraw/zinc/88/38/99/496883899.db2.gz QDSLLRWGYQGLBV-UHFFFAOYSA-N 0 3 356.514 3.079 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NCC(C)C)cc2)CC1 ZINC000264415351 496896788 /nfs/dbraw/zinc/89/67/88/496896788.db2.gz RTQHCEGZQFOKQO-UHFFFAOYSA-N 0 3 372.513 3.234 20 30 FGEDHN Cc1ccccc1C[C@@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000188925474 496950347 /nfs/dbraw/zinc/95/03/47/496950347.db2.gz ILIKOZGFXXKJPP-QFIPXVFZSA-N 0 3 374.488 3.465 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NCC3CCN(c4ccncc4)CC3)CC2)cc1 ZINC000188996359 496972419 /nfs/dbraw/zinc/97/24/19/496972419.db2.gz BRZLKZKDQHLDKD-UHFFFAOYSA-N 0 3 360.461 3.018 20 30 FGEDHN Cc1cccc(C[C@@H](CO)NCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000189011636 496977771 /nfs/dbraw/zinc/97/77/71/496977771.db2.gz ZNIGMTPHDNGOKL-QFIPXVFZSA-N 0 3 374.488 3.465 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192064907 496982865 /nfs/dbraw/zinc/98/28/65/496982865.db2.gz KMFZSKGAEHPBGT-YSIASYRMSA-N 0 3 372.852 3.071 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1cccc(F)c1C#N)C1CC1 ZINC000189173785 497033456 /nfs/dbraw/zinc/03/34/56/497033456.db2.gz SESASBFDCDYRNV-HXUWFJFHSA-N 0 3 351.425 3.338 20 30 FGEDHN Cc1ccc(C2(CNCCS(=O)(=O)c3cccc(C#N)c3)CC2)c(C)c1 ZINC000578187002 505882145 /nfs/dbraw/zinc/88/21/45/505882145.db2.gz JBQPBCLEMOTBDI-UHFFFAOYSA-N 0 3 368.502 3.270 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000274382675 497084309 /nfs/dbraw/zinc/08/43/09/497084309.db2.gz JGWBYTULVUXJHQ-LJQANCHMSA-N 0 3 356.514 3.478 20 30 FGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248769834 497101915 /nfs/dbraw/zinc/10/19/15/497101915.db2.gz SIOBZURXXCVLNY-KKSFZXQISA-N 0 3 363.461 3.322 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000270333309 497103736 /nfs/dbraw/zinc/10/37/36/497103736.db2.gz CFXUCMFVSHSPMR-QZTJIDSGSA-N 0 3 369.509 3.104 20 30 FGEDHN C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCC[C@H](C)C1 ZINC000248806950 497107571 /nfs/dbraw/zinc/10/75/71/497107571.db2.gz GZMWECVOBMLFAQ-JKSUJKDBSA-N 0 3 359.474 3.006 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000278419260 497107806 /nfs/dbraw/zinc/10/78/06/497107806.db2.gz REIQCNRKUSVERM-WBVHZDCISA-N 0 3 355.404 3.172 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3ccc(Br)s3)n2c1 ZINC000236685558 497131811 /nfs/dbraw/zinc/13/18/11/497131811.db2.gz KSGVPUQQAWHGLI-UHFFFAOYSA-N 0 3 361.268 3.362 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC(C)(C)CC2)cc1 ZINC000278658731 497180997 /nfs/dbraw/zinc/18/09/97/497180997.db2.gz QIGAGPZMCJZWFP-AWEZNQCLSA-N 0 3 363.483 3.416 20 30 FGEDHN N#Cc1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)ccc1F ZINC000278724462 497201925 /nfs/dbraw/zinc/20/19/25/497201925.db2.gz TVCGIGXFKDKMMS-UHFFFAOYSA-N 0 3 351.425 3.134 20 30 FGEDHN COc1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1OCCCC#N ZINC000270949035 497231758 /nfs/dbraw/zinc/23/17/58/497231758.db2.gz ANVXTJVAUYEPSA-LJQANCHMSA-N 0 3 372.440 3.210 20 30 FGEDHN N#CCOc1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000266028258 497236447 /nfs/dbraw/zinc/23/64/47/497236447.db2.gz ZIBKJMAJXJSVGZ-UHFFFAOYSA-N 0 3 365.433 3.145 20 30 FGEDHN N#CC1(c2ccccc2)CCC(NCCS(=O)(=O)c2ccccc2)CC1 ZINC000271064511 497256793 /nfs/dbraw/zinc/25/67/93/497256793.db2.gz IQATVHTVFQPSNK-UHFFFAOYSA-N 0 3 368.502 3.454 20 30 FGEDHN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000572120319 505894933 /nfs/dbraw/zinc/89/49/33/505894933.db2.gz QNWDDJNCOXMOLF-HZPDHXFCSA-N 0 3 374.558 3.129 20 30 FGEDHN N#Cc1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)ccn1 ZINC000193188960 497320023 /nfs/dbraw/zinc/32/00/23/497320023.db2.gz ZKNPVKBXSCITTL-UHFFFAOYSA-N 0 3 368.868 3.345 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000279096692 497331872 /nfs/dbraw/zinc/33/18/72/497331872.db2.gz UIWGPCQHUSYZJA-UHFFFAOYSA-N 0 3 373.241 3.498 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC000193335808 497354325 /nfs/dbraw/zinc/35/43/25/497354325.db2.gz SEWKBWBLYPWCDZ-RYQLBKOJSA-N 0 3 371.481 3.276 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccoc1Br)C(C)C ZINC000193407858 497373493 /nfs/dbraw/zinc/37/34/93/497373493.db2.gz NANSCROVRXIMRT-AWEZNQCLSA-N 0 3 355.276 3.471 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000245501471 497432100 /nfs/dbraw/zinc/43/21/00/497432100.db2.gz CVMFWJLAURMSGF-FUHWJXTLSA-N 0 3 361.449 3.400 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccncc2)c(OC)c1 ZINC000245581018 497465021 /nfs/dbraw/zinc/46/50/21/497465021.db2.gz IUSRHUQNVFJZNT-PMACEKPBSA-N 0 3 368.477 3.396 20 30 FGEDHN C[C@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000271852752 497471205 /nfs/dbraw/zinc/47/12/05/497471205.db2.gz IUMDZOFOKMSDSK-AWEZNQCLSA-N 0 3 357.841 3.323 20 30 FGEDHN C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000271889158 497480945 /nfs/dbraw/zinc/48/09/45/497480945.db2.gz RNAOJTVUILAMAB-MRXNPFEDSA-N 0 3 367.449 3.393 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NCCSCc3ccccc3)C2=O)cc1 ZINC000193921858 497520839 /nfs/dbraw/zinc/52/08/39/497520839.db2.gz HXPAFCKLNQBIQN-HXUWFJFHSA-N 0 3 365.502 3.182 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(CCC)cccc2C(C)C)CC1 ZINC000190537705 497521005 /nfs/dbraw/zinc/52/10/05/497521005.db2.gz UMIAMOGVQCPNSB-UHFFFAOYSA-N 0 3 371.525 3.468 20 30 FGEDHN Cc1cc(C(=O)C(C(=S)[N-]C2CC2)[n+]2ccc(N(C)C)cc2)ccc1F ZINC000267423259 497548879 /nfs/dbraw/zinc/54/88/79/497548879.db2.gz LCRQRRYUSQVAHB-UHFFFAOYSA-O 0 3 372.489 3.178 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCCc4cc(F)ccc43)C2=O)cc1 ZINC000190625063 497551111 /nfs/dbraw/zinc/55/11/11/497551111.db2.gz DKIBYXMKJUIKKF-NHCUHLMSSA-N 0 3 363.436 3.465 20 30 FGEDHN C[C@@H]1C[C@H]1[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(Cl)cc1 ZINC000245905527 497566967 /nfs/dbraw/zinc/56/69/67/497566967.db2.gz OLVXARAXMBZPBV-BJZITVGISA-N 0 3 358.873 3.283 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N3CCC(C)(C#N)CC3)c(C)c2)CC1 ZINC000272398939 497616985 /nfs/dbraw/zinc/61/69/85/497616985.db2.gz AVKBSEPYYREYMJ-UHFFFAOYSA-N 0 3 369.513 3.295 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000267919393 497639733 /nfs/dbraw/zinc/63/97/33/497639733.db2.gz ILXRZVQVMMJXKM-UHFFFAOYSA-N 0 3 361.405 3.050 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3CCCO3)sc2C1 ZINC000246189593 497654021 /nfs/dbraw/zinc/65/40/21/497654021.db2.gz WFZMOCPXVXXMAZ-ZIAGYGMSSA-N 0 3 361.511 3.184 20 30 FGEDHN CC1(C#N)CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000272552966 497660115 /nfs/dbraw/zinc/66/01/15/497660115.db2.gz MOLGKTATGJRSAU-INIZCTEOSA-N 0 3 360.527 3.295 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000280161157 497667576 /nfs/dbraw/zinc/66/75/76/497667576.db2.gz CAONVXDHQJMTDG-YADHBBJMSA-N 0 3 373.456 3.101 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCC#N)c2)CN1Cc1ccccc1 ZINC000268117694 497680588 /nfs/dbraw/zinc/68/05/88/497680588.db2.gz FCHVFAZYXHBKND-VQIMIIECSA-N 0 3 364.449 3.373 20 30 FGEDHN N#Cc1ccc(CN(CCC(=O)NC(=O)Nc2ccccc2)C2CC2)cc1 ZINC000194540045 497700125 /nfs/dbraw/zinc/70/01/25/497700125.db2.gz RAGMBJJTMCRJEW-UHFFFAOYSA-N 0 3 362.433 3.261 20 30 FGEDHN CC[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000280287735 497708041 /nfs/dbraw/zinc/70/80/41/497708041.db2.gz DZZKSZJHFMTDEE-ROUUACIJSA-N 0 3 365.408 3.353 20 30 FGEDHN C=CCCCCCN(C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272722722 497711810 /nfs/dbraw/zinc/71/18/10/497711810.db2.gz CJOKEJNIZSPGCF-HXUWFJFHSA-N 0 3 359.514 3.141 20 30 FGEDHN Cc1ccc(N2CCC[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000280304380 497713268 /nfs/dbraw/zinc/71/32/68/497713268.db2.gz FUAGUSLSUOBHLB-RTWAWAEBSA-N 0 3 372.472 3.334 20 30 FGEDHN COCCOCCN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000268378380 497735831 /nfs/dbraw/zinc/73/58/31/497735831.db2.gz XTLDTJPTQSVCHH-UHFFFAOYSA-N 0 3 354.450 3.254 20 30 FGEDHN N#CC1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000194674005 497736136 /nfs/dbraw/zinc/73/61/36/497736136.db2.gz UXYXLUWKFHFVCO-SFHVURJKSA-N 0 3 365.399 3.203 20 30 FGEDHN C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000272856115 497746610 /nfs/dbraw/zinc/74/66/10/497746610.db2.gz URUULCIVWQOIGT-AWEZNQCLSA-N 0 3 365.399 3.007 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000280422577 497749251 /nfs/dbraw/zinc/74/92/51/497749251.db2.gz PLXBSUAPULOZQG-WTNAPCKOSA-N 0 3 372.472 3.020 20 30 FGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000280618120 497828303 /nfs/dbraw/zinc/82/83/03/497828303.db2.gz YCGLBKUCCHXKPS-RBBKRZOGSA-N 0 3 372.472 3.368 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CCCC#N ZINC000291990992 497829316 /nfs/dbraw/zinc/82/93/16/497829316.db2.gz VWWJWUSEKVVQGG-UHFFFAOYSA-N 0 3 352.276 3.033 20 30 FGEDHN N#CCCN(Cc1cccnc1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000299540363 497840537 /nfs/dbraw/zinc/84/05/37/497840537.db2.gz UGFHYJCVQHDPLL-UHFFFAOYSA-N 0 3 362.477 3.236 20 30 FGEDHN CC(C)(C)OC(=O)N1CC=C(CNC(=N)Nc2cc(F)ccc2F)CC1 ZINC000288732594 497884344 /nfs/dbraw/zinc/88/43/44/497884344.db2.gz NWUWOVJRJZQXJB-UHFFFAOYSA-N 0 3 366.412 3.259 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329745212 497887211 /nfs/dbraw/zinc/88/72/11/497887211.db2.gz RBSJQJAEBOESRK-JRBPQWBISA-N 0 3 359.514 3.216 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000299684517 497894766 /nfs/dbraw/zinc/89/47/66/497894766.db2.gz YKRFHZBKSUFYLZ-UHFFFAOYSA-N 0 3 374.444 3.159 20 30 FGEDHN CC(C)Cn1ccnc1CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000329800879 497905272 /nfs/dbraw/zinc/90/52/72/497905272.db2.gz JCBFRBMDGBKNPP-UHFFFAOYSA-N 0 3 361.534 3.149 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000329834638 497919482 /nfs/dbraw/zinc/91/94/82/497919482.db2.gz HACRHLRAPRQKGT-QHRIQVFBSA-N 0 3 358.442 3.115 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000329834639 497920049 /nfs/dbraw/zinc/92/00/49/497920049.db2.gz HACRHLRAPRQKGT-QUJCMNEKSA-N 0 3 358.442 3.115 20 30 FGEDHN O=C(CN1C[C@@H]2CCC[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329847897 497925296 /nfs/dbraw/zinc/92/52/96/497925296.db2.gz YTKLASDQTSXPEV-OKILXGFUSA-N 0 3 359.426 3.082 20 30 FGEDHN CC1CCN([C@H](CNC(=O)C2(C(=O)N(C)C)CC2)c2cccs2)CC1 ZINC000329883120 497939005 /nfs/dbraw/zinc/93/90/05/497939005.db2.gz QTAIBZYBPIRZCQ-OAHLLOKOSA-N 0 3 363.527 3.346 20 30 FGEDHN Cn1cc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2ccc(C(C)(C)C)cc2)cn1 ZINC000292268447 497946863 /nfs/dbraw/zinc/94/68/63/497946863.db2.gz GRRVLSLFJSTQLW-UHFFFAOYSA-O 0 3 371.530 3.086 20 30 FGEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000329959914 497970592 /nfs/dbraw/zinc/97/05/92/497970592.db2.gz QVBLPRHKIWXQJL-VAMGGRTRSA-N 0 3 367.497 3.145 20 30 FGEDHN [O-]C(N[C@@H]1CCN(Cc2ccccc2)C1)=[NH+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000329959914 497970594 /nfs/dbraw/zinc/97/05/94/497970594.db2.gz QVBLPRHKIWXQJL-VAMGGRTRSA-N 0 3 367.497 3.145 20 30 FGEDHN COc1ccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2ccccc2)c(OC)c1 ZINC000292330254 497973100 /nfs/dbraw/zinc/97/31/00/497973100.db2.gz NLEIRKJYXZJSGX-UHFFFAOYSA-O 0 3 371.482 3.072 20 30 FGEDHN CC(C)NC(=O)NC1(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCCCC1 ZINC000329980198 497978162 /nfs/dbraw/zinc/97/81/62/497978162.db2.gz KWQMZCRNDFMBRS-LSDHHAIUSA-N 0 3 350.507 3.183 20 30 FGEDHN C=CCOc1ccccc1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000364486646 497982377 /nfs/dbraw/zinc/98/23/77/497982377.db2.gz UUSFAVODMPGOGI-UHFFFAOYSA-N 0 3 365.477 3.083 20 30 FGEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000285071106 497986815 /nfs/dbraw/zinc/98/68/15/497986815.db2.gz KCOHLAOYYQZHEP-FUHWJXTLSA-N 0 3 366.461 3.255 20 30 FGEDHN O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H](O)Cc1ccccc1 ZINC000330016932 497992787 /nfs/dbraw/zinc/99/27/87/497992787.db2.gz QHNSTSOQMFPRIL-SFHVURJKSA-N 0 3 362.539 3.298 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000281092970 498018154 /nfs/dbraw/zinc/01/81/54/498018154.db2.gz URFKGLYGMVGWOM-PBASOCQRSA-N 0 3 371.525 3.320 20 30 FGEDHN C=CCNC(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1 ZINC000301250109 498020033 /nfs/dbraw/zinc/02/00/33/498020033.db2.gz RNWOVACABFHMFY-UHFFFAOYSA-N 0 3 350.466 3.074 20 30 FGEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000285205970 498021275 /nfs/dbraw/zinc/02/12/75/498021275.db2.gz TVFAVGCVHMLWJX-LPHOPBHVSA-N 0 3 363.461 3.196 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296382876 498021422 /nfs/dbraw/zinc/02/14/22/498021422.db2.gz HUXZHXIGIVAFJO-ZULIPRJHSA-N 0 3 354.498 3.279 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000364607702 498046884 /nfs/dbraw/zinc/04/68/84/498046884.db2.gz OTVWWZLRNRJURG-RCZSKKKRSA-N 0 3 374.525 3.423 20 30 FGEDHN Cc1cc2cc[nH]c2cc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000330190400 498056066 /nfs/dbraw/zinc/05/60/66/498056066.db2.gz MKXMXIPDSWAYMZ-OAHLLOKOSA-N 0 3 356.470 3.207 20 30 FGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281268553 498080581 /nfs/dbraw/zinc/08/05/81/498080581.db2.gz FQPNLTZWXGYTJG-HGAKGQHFSA-N 0 3 355.482 3.147 20 30 FGEDHN COc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301378381 498082784 /nfs/dbraw/zinc/08/27/84/498082784.db2.gz XLBPQIBCLSADNC-UHFFFAOYSA-N 0 3 366.421 3.187 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CC4(CCC4)C(=O)O3)CC2)c(F)c1 ZINC000285435954 498084025 /nfs/dbraw/zinc/08/40/25/498084025.db2.gz HUWFGLBCIDPMLX-INIZCTEOSA-N 0 3 358.413 3.026 20 30 FGEDHN C=CCN1CCC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 ZINC000301392445 498090424 /nfs/dbraw/zinc/09/04/24/498090424.db2.gz IATVKMAYMUVALG-UHFFFAOYSA-N 0 3 350.466 3.189 20 30 FGEDHN C[C@]1(CNC(=O)N2CC(NC(=O)C3CC3)C2)CCCN1Cc1ccccc1 ZINC000330284853 498094148 /nfs/dbraw/zinc/09/41/48/498094148.db2.gz YBLOABUZSWBKMY-OAQYLSRUSA-N 0 3 370.497 3.006 20 30 FGEDHN O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCCN1C1CCCC1 ZINC000330288934 498095057 /nfs/dbraw/zinc/09/50/57/498095057.db2.gz DKXCUOUKNABBDQ-SFHVURJKSA-N 0 3 369.465 3.036 20 30 FGEDHN CCC[C@@H](CCc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000578619211 505982714 /nfs/dbraw/zinc/98/27/14/505982714.db2.gz FPYKYDWRHIFCBX-IBGZPJMESA-N 0 3 371.506 3.118 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)C(C#N)CCc1ccccc1 ZINC000330689376 498174286 /nfs/dbraw/zinc/17/42/86/498174286.db2.gz VSNGHAMOXJBAMI-SCTDSRPQSA-N 0 3 369.509 3.253 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)cc1)c1ccc(C#N)cn1 ZINC000301666651 498213829 /nfs/dbraw/zinc/21/38/29/498213829.db2.gz WXQZLLWAXVFTJD-UHFFFAOYSA-N 0 3 359.271 3.284 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000330904060 498214204 /nfs/dbraw/zinc/21/42/04/498214204.db2.gz YSFMWTVNNBGHOV-GFCCVEGCSA-N 0 3 374.407 3.230 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301668797 498215594 /nfs/dbraw/zinc/21/55/94/498215594.db2.gz PMFIBYGTXXYLIV-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)cc(OC)c1O ZINC000359976784 498231925 /nfs/dbraw/zinc/23/19/25/498231925.db2.gz VIIWUDGVWPWSII-OALUTQOASA-N 0 3 358.482 3.105 20 30 FGEDHN N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301745805 498250355 /nfs/dbraw/zinc/25/03/55/498250355.db2.gz OUGQYVCZQKUCCH-HNNXBMFYSA-N 0 3 368.403 3.053 20 30 FGEDHN C=CCN(CCc1c(C)nc2sccn2c1=O)Cc1cccc(C#N)c1 ZINC000285996214 498262218 /nfs/dbraw/zinc/26/22/18/498262218.db2.gz NJKQABFCMOFGEN-UHFFFAOYSA-N 0 3 364.474 3.167 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c(C#N)c1C ZINC000331188255 498271330 /nfs/dbraw/zinc/27/13/30/498271330.db2.gz JNDOBIOPZAMIOE-BLVKFPJESA-N 0 3 363.527 3.342 20 30 FGEDHN Cn1cc(CN2CCC([C@@H]3CCOC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000365048407 498271706 /nfs/dbraw/zinc/27/17/06/498271706.db2.gz ZPIQKMLOZILYSJ-LJQANCHMSA-N 0 3 350.466 3.207 20 30 FGEDHN N#CC1CCC(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000281798819 498272972 /nfs/dbraw/zinc/27/29/72/498272972.db2.gz KJBWTVRGYKTPEV-UHFFFAOYSA-N 0 3 368.525 3.323 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@]3(CO)Cc3ccccc3)o2)cc1 ZINC000365060501 498276647 /nfs/dbraw/zinc/27/66/47/498276647.db2.gz GPHCZWAHLLGEPM-JOCHJYFZSA-N 0 3 374.444 3.178 20 30 FGEDHN CC[C@H](CC#N)NCCCOc1cccc(I)c1 ZINC000569758139 506009269 /nfs/dbraw/zinc/00/92/69/506009269.db2.gz YCAITCISDUJCEX-CYBMUJFWSA-N 0 3 358.223 3.342 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCC[C@@H]1CCO ZINC000286075355 498285566 /nfs/dbraw/zinc/28/55/66/498285566.db2.gz JUYXUETZMRYBES-OAGGEKHMSA-N 0 3 361.511 3.160 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1CCC(C#N)CC1 ZINC000281885058 498305119 /nfs/dbraw/zinc/30/51/19/498305119.db2.gz GPFNMJOJKNNWMW-UHFFFAOYSA-N 0 3 360.477 3.229 20 30 FGEDHN N#CC1(CCCN2CCCN(Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000281932455 498324374 /nfs/dbraw/zinc/32/43/74/498324374.db2.gz IEHCHVILHJBCDC-UHFFFAOYSA-N 0 3 359.489 3.434 20 30 FGEDHN COC[C@]1(CN[C@@H](C)c2ccc(OCC#N)cc2)OCCc2ccccc21 ZINC000289899613 498344523 /nfs/dbraw/zinc/34/45/23/498344523.db2.gz TVAAEWBXJGIXHG-JTSKRJEESA-N 0 3 366.461 3.354 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000365204930 498350409 /nfs/dbraw/zinc/35/04/09/498350409.db2.gz TUMACDRRZSTTAJ-NRXGSXMXSA-N 0 3 359.495 3.176 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000302216301 498446870 /nfs/dbraw/zinc/44/68/70/498446870.db2.gz PEQDOMCOAGXLRM-HOTGVXAUSA-N 0 3 372.469 3.182 20 30 FGEDHN Cc1ccc(NC(=O)CCN2CCC(Oc3ccc(C#N)cc3)CC2)nc1 ZINC000575931635 506036090 /nfs/dbraw/zinc/03/60/90/506036090.db2.gz NKYFLIPPMVNVFH-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000286722358 498488576 /nfs/dbraw/zinc/48/85/76/498488576.db2.gz HMIMKBYOPJCUIP-IBGZPJMESA-N 0 3 355.438 3.280 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC(C#N)CC1 ZINC000331978984 498521043 /nfs/dbraw/zinc/52/10/43/498521043.db2.gz DZSNLLMJXRIENY-FQEVSTJZSA-N 0 3 368.525 3.405 20 30 FGEDHN COc1cc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)ccc1OCCO ZINC000575977407 506047510 /nfs/dbraw/zinc/04/75/10/506047510.db2.gz CORCIGBVOTXIQB-AUUYWEPGSA-N 0 3 352.434 3.276 20 30 FGEDHN COc1cc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)ccc1OCCO ZINC000575977410 506047519 /nfs/dbraw/zinc/04/75/19/506047519.db2.gz CORCIGBVOTXIQB-LIRRHRJNSA-N 0 3 352.434 3.276 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302664345 498526711 /nfs/dbraw/zinc/52/67/11/498526711.db2.gz MIEDNJLRIUXOPA-AWEZNQCLSA-N 0 3 354.420 3.263 20 30 FGEDHN N#CCC[C@@H](C#N)CN[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000572825824 506061352 /nfs/dbraw/zinc/06/13/52/506061352.db2.gz LDONOTCFJLIHCI-ZFWWWQNUSA-N 0 3 355.392 3.176 20 30 FGEDHN N#CCC[C@H](C#N)CN[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000572825823 506061416 /nfs/dbraw/zinc/06/14/16/506061416.db2.gz LDONOTCFJLIHCI-UKRRQHHQSA-N 0 3 355.392 3.176 20 30 FGEDHN N#Cc1ccsc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000365744389 498621689 /nfs/dbraw/zinc/62/16/89/498621689.db2.gz WUKNTJIFKHYIBC-ZWKOTPCHSA-N 0 3 351.475 3.214 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000578981238 506067590 /nfs/dbraw/zinc/06/75/90/506067590.db2.gz ITWCCRXHIKCYBP-DDUZABMNSA-N 0 3 360.816 3.236 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000332353301 498659206 /nfs/dbraw/zinc/65/92/06/498659206.db2.gz ZUJWTAQTPKNZLO-WMLDXEAASA-N 0 3 360.889 3.099 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000363183160 498692008 /nfs/dbraw/zinc/69/20/08/498692008.db2.gz OQDUEZZFIVQUSO-UHFFFAOYSA-N 0 3 369.509 3.250 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000294627844 498753439 /nfs/dbraw/zinc/75/34/39/498753439.db2.gz OBNOAXZMFFMXSK-HNNXBMFYSA-N 0 3 362.271 3.021 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@H]2C1 ZINC000283054809 498760954 /nfs/dbraw/zinc/76/09/54/498760954.db2.gz RITIGYDLAGNGJL-RISCZKNCSA-N 0 3 368.359 3.015 20 30 FGEDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1C#N ZINC000291044022 498770571 /nfs/dbraw/zinc/77/05/71/498770571.db2.gz GYECJLWHSJJEKE-HNNXBMFYSA-N 0 3 364.449 3.337 20 30 FGEDHN C=CC[C@@H](CO)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000321018127 498810665 /nfs/dbraw/zinc/81/06/65/498810665.db2.gz NRJVXTRBIMVITL-JTQLQIEISA-N 0 3 354.166 3.374 20 30 FGEDHN COc1cc(NC(=O)CCNCc2cccc(C#N)c2)c(OC)cc1Cl ZINC000579110740 506096455 /nfs/dbraw/zinc/09/64/55/506096455.db2.gz HYOPOYCNWQZOEL-UHFFFAOYSA-N 0 3 373.840 3.347 20 30 FGEDHN C[C@H]1CC[C@H](C)N1CC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000332926080 498836759 /nfs/dbraw/zinc/83/67/59/498836759.db2.gz CVTMHBNUEQYUDH-XYCLOBBJSA-N 0 3 355.482 3.237 20 30 FGEDHN O=C(CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)NC1CCCCC1 ZINC000328664634 498896104 /nfs/dbraw/zinc/89/61/04/498896104.db2.gz BXBWHBAHGOENLT-GOSISDBHSA-N 0 3 358.486 3.054 20 30 FGEDHN O=C(NCC1CCN(Cc2cccs2)CC1)c1cn2c(n1)CCCC2 ZINC000328721809 498914927 /nfs/dbraw/zinc/91/49/27/498914927.db2.gz RMDDDXAYBGBVMW-UHFFFAOYSA-N 0 3 358.511 3.498 20 30 FGEDHN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328787104 498939536 /nfs/dbraw/zinc/93/95/36/498939536.db2.gz LBKXXAQFECMDBV-LBTBCDHLSA-N 0 3 366.889 3.487 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000328803341 498942796 /nfs/dbraw/zinc/94/27/96/498942796.db2.gz CLWRMVMKRSSKRW-FQEVSTJZSA-N 0 3 369.509 3.299 20 30 FGEDHN CCc1nc(CN2CCC[C@H](N(C)[C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000363685097 498944750 /nfs/dbraw/zinc/94/47/50/498944750.db2.gz DHEZWDNGTRWGPO-QAPCUYQASA-N 0 3 353.470 3.161 20 30 FGEDHN CC1(C)C[C@H](O)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000295233315 498950629 /nfs/dbraw/zinc/95/06/29/498950629.db2.gz OFIQOFGTGITOJQ-LJQANCHMSA-N 0 3 352.482 3.447 20 30 FGEDHN C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000288211682 498968138 /nfs/dbraw/zinc/96/81/38/498968138.db2.gz RMHIYFAVOKKXJB-UZLBHIALSA-N 0 3 350.466 3.391 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000328890221 498975480 /nfs/dbraw/zinc/97/54/80/498975480.db2.gz RNIBBPJYWXOBKA-WOJBJXKFSA-N 0 3 371.525 3.427 20 30 FGEDHN CN1C[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@@H](c2ccccc2)C1 ZINC000328919497 498986317 /nfs/dbraw/zinc/98/63/17/498986317.db2.gz LKVOTCLBCBNEOA-WBVHZDCISA-N 0 3 351.406 3.069 20 30 FGEDHN Cc1ccnc(C2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)n1 ZINC000363791021 498995920 /nfs/dbraw/zinc/99/59/20/498995920.db2.gz BOZLQJGYUMIJLH-UHFFFAOYSA-N 0 3 372.476 3.437 20 30 FGEDHN CC(=O)N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000329020941 499016824 /nfs/dbraw/zinc/01/68/24/499016824.db2.gz HUVPEAYGSKSPOH-UHFFFAOYSA-N 0 3 368.481 3.403 20 30 FGEDHN C=CCN(CCC#N)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000291657380 499026004 /nfs/dbraw/zinc/02/60/04/499026004.db2.gz BDHPHMRKSLHKTG-UHFFFAOYSA-N 0 3 355.486 3.071 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000570272849 506130347 /nfs/dbraw/zinc/13/03/47/506130347.db2.gz KJSHHYMDIYJHHK-GJZGRUSLSA-N 0 3 374.428 3.290 20 30 FGEDHN O=C(CN1CC[C@@H](N2CCCCC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000329312416 499097316 /nfs/dbraw/zinc/09/73/16/499097316.db2.gz PWXIBAJKKNXSGH-CQSZACIVSA-N 0 3 367.396 3.156 20 30 FGEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000329328423 499100759 /nfs/dbraw/zinc/10/07/59/499100759.db2.gz XTHMXIRXDMVAED-MRXNPFEDSA-N 0 3 352.482 3.498 20 30 FGEDHN COCc1cccc2sc(=NC(=O)N3CC[C@@H]4CCN(C)C[C@H]43)[nH]c21 ZINC000329460213 499124645 /nfs/dbraw/zinc/12/46/45/499124645.db2.gz SAAXYYZCKIUUNW-GXTWGEPZSA-N 0 3 360.483 3.014 20 30 FGEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2nn(C)c3ccccc3c2=O)C1 ZINC000329501646 499128455 /nfs/dbraw/zinc/12/84/55/499128455.db2.gz YRGGQYJPAZLTSV-OAHLLOKOSA-N 0 3 370.497 3.139 20 30 FGEDHN CSc1ccc(N2C[C@H](C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2=O)cc1 ZINC000329512835 499128702 /nfs/dbraw/zinc/12/87/02/499128702.db2.gz NPQFIKKCMKWEPC-GOEBONIOSA-N 0 3 373.522 3.368 20 30 FGEDHN CN1CCC[C@@]2(CCN(CC#Cc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000372552431 499144819 /nfs/dbraw/zinc/14/48/19/499144819.db2.gz JWNLNTKFVLPTJO-SFHVURJKSA-N 0 3 350.384 3.001 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@@H]3CCC[C@H]31)CCCC2 ZINC000367163362 499155997 /nfs/dbraw/zinc/15/59/97/499155997.db2.gz JWCGRJOYXXGQFP-IAGOWNOFSA-N 0 3 373.522 3.471 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CC=C(c2cn(C)c3ccccc23)CC1 ZINC000367380103 499191860 /nfs/dbraw/zinc/19/18/60/499191860.db2.gz PNVSAGBVUURVGK-UHFFFAOYSA-N 0 3 350.466 3.030 20 30 FGEDHN COCc1nccc([C@@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000367418273 499196759 /nfs/dbraw/zinc/19/67/59/499196759.db2.gz GUWXYOSZEUIUFT-SJLPKXTDSA-N 0 3 366.465 3.293 20 30 FGEDHN Cc1ccc2ncc(C#N)c(N3CCN(C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000368184645 499272494 /nfs/dbraw/zinc/27/24/94/499272494.db2.gz KTXFKVFJKBKVGS-QGZVFWFLSA-N 0 3 363.509 3.020 20 30 FGEDHN CC(C)c1nnc([C@@H]2CC23CCN(C[C@@H](O)c2ccc(C#N)cc2)CC3)o1 ZINC000371159964 499294682 /nfs/dbraw/zinc/29/46/82/499294682.db2.gz IFJULMGFRVSXEX-ZWKOTPCHSA-N 0 3 366.465 3.368 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@H]3OCC[C@H]32)sc2c1CCCC2 ZINC000368448910 499297141 /nfs/dbraw/zinc/29/71/41/499297141.db2.gz GFHUFAHUUBCQSV-HZPDHXFCSA-N 0 3 359.495 3.080 20 30 FGEDHN Cc1c([C@H]2CCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)cnn1C ZINC000368461968 499298511 /nfs/dbraw/zinc/29/85/11/499298511.db2.gz MTELPVDKBBXFDE-HXUWFJFHSA-N 0 3 360.465 3.338 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000369080396 499363571 /nfs/dbraw/zinc/36/35/71/499363571.db2.gz DYQIHKJAYPJUCF-NRFANRHFSA-N 0 3 364.493 3.463 20 30 FGEDHN Cn1cc(CNC[C@H](O)CCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000372347813 499423544 /nfs/dbraw/zinc/42/35/44/499423544.db2.gz LEMNRUQOBYLBED-OAQYLSRUSA-N 0 3 360.461 3.042 20 30 FGEDHN COc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000570365209 506149905 /nfs/dbraw/zinc/14/99/05/506149905.db2.gz IUIHUHFQAVEAJI-UHFFFAOYSA-N 0 3 353.466 3.139 20 30 FGEDHN C[C@@]1(CNc2ncc([N+](=O)[O-])cc2C#N)CCCN1Cc1ccccc1 ZINC000397897317 499564878 /nfs/dbraw/zinc/56/48/78/499564878.db2.gz VKVRWKWZERKJIP-IBGZPJMESA-N 0 3 351.410 3.328 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000398005510 499565416 /nfs/dbraw/zinc/56/54/16/499565416.db2.gz ATWSVDDKHBZDMR-KSSFIOAISA-N 0 3 351.410 3.184 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC000404045101 499569696 /nfs/dbraw/zinc/56/96/96/499569696.db2.gz CFLNFCYADVDOON-FQEVSTJZSA-N 0 3 353.441 3.078 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC000404045102 499569916 /nfs/dbraw/zinc/56/99/16/499569916.db2.gz CFLNFCYADVDOON-HXUWFJFHSA-N 0 3 353.441 3.078 20 30 FGEDHN CC[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000376439144 499608740 /nfs/dbraw/zinc/60/87/40/499608740.db2.gz AXTKKFJJWDQANE-NHCUHLMSSA-N 0 3 357.498 3.196 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CCCCC[C@@H]32)cc1 ZINC000376586972 499620873 /nfs/dbraw/zinc/62/08/73/499620873.db2.gz HGNCYPAWGDVIAT-CPUCHLNUSA-N 0 3 361.467 3.169 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N(C2CC2)C2(C#N)CCC2)[C@H](C(F)(F)F)C1 ZINC000410751264 499676803 /nfs/dbraw/zinc/67/68/03/499676803.db2.gz VWMOKULPDCPKSS-ZIAGYGMSSA-N 0 3 357.420 3.332 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411154878 499703824 /nfs/dbraw/zinc/70/38/24/499703824.db2.gz NCSYLLNDEAIAAP-UHFFFAOYSA-N 0 3 371.506 3.271 20 30 FGEDHN N#Cc1cccc(NC(=O)CCNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000411363831 499729748 /nfs/dbraw/zinc/72/97/48/499729748.db2.gz FFWSGHOSHRTVHT-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN COC(=O)[C@H](C)[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411393103 499733514 /nfs/dbraw/zinc/73/35/14/499733514.db2.gz QRGVJKAAOSBFGP-FOIQADDNSA-N 0 3 365.433 3.027 20 30 FGEDHN CCCN(CCN1CCCC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000411720860 499782965 /nfs/dbraw/zinc/78/29/65/499782965.db2.gz QWNAHVFXBXRBAT-LJQANCHMSA-N 0 3 356.514 3.130 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@H](c1cccs1)C1(CO)CCC1 ZINC000411889093 499800429 /nfs/dbraw/zinc/80/04/29/499800429.db2.gz ZZOISEKDELUMFN-LJQANCHMSA-N 0 3 369.490 3.442 20 30 FGEDHN N#Cc1ccccc1OCCN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412015310 499813223 /nfs/dbraw/zinc/81/32/23/499813223.db2.gz ZQCUYTYHRJYPQR-OAQYLSRUSA-N 0 3 366.461 3.057 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)Nc1cccc2c1CCNC2)c1ccccc1 ZINC000576447918 506161023 /nfs/dbraw/zinc/16/10/23/506161023.db2.gz QFYFVTXUBHTVBN-IBGZPJMESA-N 0 3 363.461 3.095 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000415130753 499867981 /nfs/dbraw/zinc/86/79/81/499867981.db2.gz XNRAPHGROLVHGZ-MRXNPFEDSA-N 0 3 372.375 3.168 20 30 FGEDHN COc1cccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)N(C)C)c1 ZINC000413024620 499904840 /nfs/dbraw/zinc/90/48/40/499904840.db2.gz DMUZCUXHKQKPOZ-LJQANCHMSA-N 0 3 354.410 3.498 20 30 FGEDHN COCCNCCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415808547 499919986 /nfs/dbraw/zinc/91/99/86/499919986.db2.gz ROXUNHPSPJPQOQ-UHFFFAOYSA-N 0 3 370.478 3.067 20 30 FGEDHN Cc1csc2ncnc(N(CCN(C)C)Cc3ccc(C#N)cc3)c12 ZINC000413206204 499926860 /nfs/dbraw/zinc/92/68/60/499926860.db2.gz ZDZFYWZQFDOTQZ-UHFFFAOYSA-N 0 3 351.479 3.440 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000413261590 499933826 /nfs/dbraw/zinc/93/38/26/499933826.db2.gz IULUEJDNKYTAPN-RBBKRZOGSA-N 0 3 365.452 3.333 20 30 FGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC000428871558 499951996 /nfs/dbraw/zinc/95/19/96/499951996.db2.gz JQULKOBVZPAEKR-FPOVZHCZSA-N 0 3 370.541 3.150 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000424931755 499969578 /nfs/dbraw/zinc/96/95/78/499969578.db2.gz LFMJLBKFBVOLAH-QMMLZNLJSA-N 0 3 356.510 3.037 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCN1CCc2ccccc2C1 ZINC000416237857 499991370 /nfs/dbraw/zinc/99/13/70/499991370.db2.gz CUJQOLUIYQPEHJ-UHFFFAOYSA-N 0 3 368.477 3.125 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)cc(OC)c2Cl)CC1 ZINC000417244806 500016844 /nfs/dbraw/zinc/01/68/44/500016844.db2.gz FZZSNPWZEMIDCK-UHFFFAOYSA-N 0 3 353.850 3.129 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1F ZINC000421391155 500035917 /nfs/dbraw/zinc/03/59/17/500035917.db2.gz NADQGSYOKOYOTJ-ZDUSSCGKSA-N 0 3 352.331 3.055 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000425168978 500035983 /nfs/dbraw/zinc/03/59/83/500035983.db2.gz MWSIWMLNTLJFOP-LJQANCHMSA-N 0 3 352.482 3.088 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429271651 500038732 /nfs/dbraw/zinc/03/87/32/500038732.db2.gz JHAMLUZGHAVOBM-ABAIWWIYSA-N 0 3 351.288 3.353 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000425229796 500050911 /nfs/dbraw/zinc/05/09/11/500050911.db2.gz LPQONEQNTOJEIM-HOTGVXAUSA-N 0 3 372.469 3.182 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416692978 500088858 /nfs/dbraw/zinc/08/88/58/500088858.db2.gz SIKGHVCOGLEIGC-JXXFODFXSA-N 0 3 354.498 3.355 20 30 FGEDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429521481 500092566 /nfs/dbraw/zinc/09/25/66/500092566.db2.gz RANACMWXQBIVSV-CVEARBPZSA-N 0 3 361.511 3.374 20 30 FGEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429521482 500092899 /nfs/dbraw/zinc/09/28/99/500092899.db2.gz RANACMWXQBIVSV-HOTGVXAUSA-N 0 3 361.511 3.374 20 30 FGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000429716421 500129545 /nfs/dbraw/zinc/12/95/45/500129545.db2.gz AGFPGLLSYJURIU-AWEZNQCLSA-N 0 3 368.319 3.216 20 30 FGEDHN CCOc1ccc(OC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425534755 500136024 /nfs/dbraw/zinc/13/60/24/500136024.db2.gz GOLDPQXGNATBLO-VQIMIIECSA-N 0 3 354.450 3.390 20 30 FGEDHN CC(C)C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)N(C)C ZINC000429788441 500145714 /nfs/dbraw/zinc/14/57/14/500145714.db2.gz QNPJTPBLBXFGHW-GOSISDBHSA-N 0 3 367.497 3.170 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccccc2)cc1 ZINC000429931472 500168418 /nfs/dbraw/zinc/16/84/18/500168418.db2.gz IZALCRKJGHOXKV-AWEZNQCLSA-N 0 3 357.435 3.036 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000425664747 500174469 /nfs/dbraw/zinc/17/44/69/500174469.db2.gz UUHXCCROFLXJAS-DYESRHJHSA-N 0 3 364.493 3.434 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425680782 500179742 /nfs/dbraw/zinc/17/97/42/500179742.db2.gz CTAOKHWGCPSICU-KRWDZBQOSA-N 0 3 372.513 3.150 20 30 FGEDHN C=CCOc1ccccc1CN1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000430094724 500191181 /nfs/dbraw/zinc/19/11/81/500191181.db2.gz AYNUSWYBDVHGRZ-QUCCMNQESA-N 0 3 359.466 3.042 20 30 FGEDHN C=C(C)[C@H](NC(=O)NCCCNCc1cccnc1)c1ccc(F)c(F)c1 ZINC000418024647 500215841 /nfs/dbraw/zinc/21/58/41/500215841.db2.gz DUOACLOLBPODKI-IBGZPJMESA-N 0 3 374.435 3.456 20 30 FGEDHN COc1cc(CN2CCC[C@@H]2CCO)ccc1OCc1cccc(C#N)c1 ZINC000426202590 500247032 /nfs/dbraw/zinc/24/70/32/500247032.db2.gz VVIVBCSBOYZARP-HXUWFJFHSA-N 0 3 366.461 3.493 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@H]1CCCC1=O ZINC000427119117 500355720 /nfs/dbraw/zinc/35/57/20/500355720.db2.gz FXDVMEMQCRCZCJ-MRXNPFEDSA-N 0 3 362.543 3.344 20 30 FGEDHN C=C[C@@](C)(O)CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000431523183 500387840 /nfs/dbraw/zinc/38/78/40/500387840.db2.gz KHNDCMWVFXYFMG-JOCHJYFZSA-N 0 3 352.478 3.359 20 30 FGEDHN C=CCC[C@H]1NC(=O)N(C[C@H](c2ccccc2)N2CCC(C)CC2)C1=O ZINC000419950966 500409400 /nfs/dbraw/zinc/40/94/00/500409400.db2.gz MYCQEYFXGIGMFS-RTBURBONSA-N 0 3 355.482 3.346 20 30 FGEDHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000427725596 500424398 /nfs/dbraw/zinc/42/43/98/500424398.db2.gz IHFHYDCUUUBALB-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000573440908 506195260 /nfs/dbraw/zinc/19/52/60/506195260.db2.gz HKNQMFRDSLYPHQ-PJSAGSTRSA-N 0 3 373.478 3.025 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000424058787 500445017 /nfs/dbraw/zinc/44/50/17/500445017.db2.gz ANIIOCOJCDPALB-GHGPIALNSA-N 0 3 359.473 3.421 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2ncc(C#N)cc2Cl)N(C)C)cc1 ZINC000427927581 500446637 /nfs/dbraw/zinc/44/66/37/500446637.db2.gz ZYRREKMGRLDZBA-QGZVFWFLSA-N 0 3 356.857 3.202 20 30 FGEDHN CC(C)(C)c1cc(NC(=O)[C@@H](N)CCCC#N)n(Cc2ccccc2)n1 ZINC000424085287 500449995 /nfs/dbraw/zinc/44/99/95/500449995.db2.gz PEXBDYBHPYOKBZ-INIZCTEOSA-N 0 3 353.470 3.189 20 30 FGEDHN CCOc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)c2ccccc2)cc1 ZINC000424098310 500452788 /nfs/dbraw/zinc/45/27/88/500452788.db2.gz SPYYFNSTFJTHQB-WOJBJXKFSA-N 0 3 351.450 3.312 20 30 FGEDHN CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)[C@H](N)CCCC#N)CC1 ZINC000424110666 500455091 /nfs/dbraw/zinc/45/50/91/500455091.db2.gz DEBCEIBPMPHFTN-VMWRSERWSA-N 0 3 371.481 3.344 20 30 FGEDHN C=CCn1c(C)cc(C(=O)CN2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1C ZINC000420398535 500455457 /nfs/dbraw/zinc/45/54/57/500455457.db2.gz YZOJALIFNCHFJI-VQTJNVASSA-N 0 3 355.457 3.039 20 30 FGEDHN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](N)CCCC#N)s2)cc1 ZINC000424131359 500458867 /nfs/dbraw/zinc/45/88/67/500458867.db2.gz UXEZFOFDPHVHDA-LRDDRELGSA-N 0 3 372.494 3.326 20 30 FGEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Sc1ccc(Br)cc1 ZINC000424142355 500459543 /nfs/dbraw/zinc/45/95/43/500459543.db2.gz PNTSVFIYJZNUNJ-SMDDNHRTSA-N 0 3 370.316 3.067 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)N(C)C)cc1 ZINC000432053815 500461083 /nfs/dbraw/zinc/46/10/83/500461083.db2.gz IEBDFVIBPMUMIM-NRFANRHFSA-N 0 3 364.493 3.219 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000424172119 500463448 /nfs/dbraw/zinc/46/34/48/500463448.db2.gz MYLFVHWKDASQGW-KBMXLJTQSA-N 0 3 353.388 3.479 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000424190656 500465452 /nfs/dbraw/zinc/46/54/52/500465452.db2.gz QANNHFJRCMSBIW-FUHWJXTLSA-N 0 3 369.444 3.291 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428103887 500469165 /nfs/dbraw/zinc/46/91/65/500469165.db2.gz PDJBYMFEQXGTBF-QGZVFWFLSA-N 0 3 369.557 3.253 20 30 FGEDHN CC1CCN(C[C@H](O)CNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428126906 500472011 /nfs/dbraw/zinc/47/20/11/500472011.db2.gz VHIVFDIJEOGPKG-GOSISDBHSA-N 0 3 356.514 3.072 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000428546582 500524792 /nfs/dbraw/zinc/52/47/92/500524792.db2.gz LWUZUGVYDIDEBS-MRXNPFEDSA-N 0 3 355.825 3.031 20 30 FGEDHN C=CCC(C)(C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000432562184 500532991 /nfs/dbraw/zinc/53/29/91/500532991.db2.gz IVBVRHCFLHYWJJ-IAGOWNOFSA-N 0 3 351.535 3.120 20 30 FGEDHN C[C@@H]1CC[C@@H](O)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000421000305 500551504 /nfs/dbraw/zinc/55/15/04/500551504.db2.gz AYLUANLKFQEPQI-ZIAGYGMSSA-N 0 3 361.511 3.062 20 30 FGEDHN CN(CCSCC(=O)NCc1cccc(C#N)c1)Cc1ccccc1 ZINC000433019328 500608008 /nfs/dbraw/zinc/60/80/08/500608008.db2.gz MWSMBMREUSWXIH-UHFFFAOYSA-N 0 3 353.491 3.040 20 30 FGEDHN CCc1ccc([C@@H]2CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000433069139 500618580 /nfs/dbraw/zinc/61/85/80/500618580.db2.gz BXUTULWKJKSKQF-RTWAWAEBSA-N 0 3 350.462 3.350 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000433103148 500626167 /nfs/dbraw/zinc/62/61/67/500626167.db2.gz KDUJLMPPULKCRB-SFHVURJKSA-N 0 3 351.425 3.247 20 30 FGEDHN N#C[C@@H](CCc1ccccc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000433217425 500649304 /nfs/dbraw/zinc/64/93/04/500649304.db2.gz AYWICYOADXURIB-OAQYLSRUSA-N 0 3 361.489 3.324 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000433219252 500649840 /nfs/dbraw/zinc/64/98/40/500649840.db2.gz ITWROEIQHSYGCV-LJQANCHMSA-N 0 3 361.445 3.202 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433299547 500665402 /nfs/dbraw/zinc/66/54/02/500665402.db2.gz BTXPNUAVOBCXFP-QFIPXVFZSA-N 0 3 374.488 3.221 20 30 FGEDHN CCCCN(C)C(=O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433304740 500667439 /nfs/dbraw/zinc/66/74/39/500667439.db2.gz OIWHPFHTOLFPIM-FQEVSTJZSA-N 0 3 369.509 3.256 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433316299 500670980 /nfs/dbraw/zinc/67/09/80/500670980.db2.gz IBWSFVPADBBDGV-IBGZPJMESA-N 0 3 367.468 3.488 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000437638581 500673528 /nfs/dbraw/zinc/67/35/28/500673528.db2.gz AUPQCFJWRHAEKH-NXHRZFHOSA-N 0 3 365.543 3.411 20 30 FGEDHN CCOC(=O)[C@@](C)(CNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000443072026 500673973 /nfs/dbraw/zinc/67/39/73/500673973.db2.gz UIMOSXXYXIBZFV-NRFANRHFSA-N 0 3 352.434 3.177 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000433342974 500676662 /nfs/dbraw/zinc/67/66/62/500676662.db2.gz NAOSSFUJEXTEMX-ICSRJNTNSA-N 0 3 361.445 3.071 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000433362634 500680976 /nfs/dbraw/zinc/68/09/76/500680976.db2.gz PTPIXDYUTRBEGS-SFTDATJTSA-N 0 3 363.461 3.362 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433364834 500681926 /nfs/dbraw/zinc/68/19/26/500681926.db2.gz LCWIMJSKYXBSBG-SFHVURJKSA-N 0 3 355.507 3.411 20 30 FGEDHN C[C@H]1OCC[C@]1(O)CN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000447927060 500691211 /nfs/dbraw/zinc/69/12/11/500691211.db2.gz ODLYHKJADIXQJL-GCJKJVERSA-N 0 3 353.437 3.219 20 30 FGEDHN Cn1c2c(cccc2F)nc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000443435066 500724458 /nfs/dbraw/zinc/72/44/58/500724458.db2.gz XAABGDRNROWJQO-UHFFFAOYSA-N 0 3 363.440 3.296 20 30 FGEDHN C=CCOc1ccc(CC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000448602877 500782692 /nfs/dbraw/zinc/78/26/92/500782692.db2.gz CBOCULZMCAICMG-FQEVSTJZSA-N 0 3 352.478 3.083 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000438981048 500843630 /nfs/dbraw/zinc/84/36/30/500843630.db2.gz UCPQMHDLRCFXOW-UHFFFAOYSA-N 0 3 363.461 3.271 20 30 FGEDHN CN(CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000439015793 500847610 /nfs/dbraw/zinc/84/76/10/500847610.db2.gz UTEWCSGXUQONRF-UHFFFAOYSA-N 0 3 362.477 3.345 20 30 FGEDHN C=CCN1CC[C@H](N2CCC(c3cccc(Br)c3)CC2)C1=O ZINC000439328894 500886095 /nfs/dbraw/zinc/88/60/95/500886095.db2.gz XOSFYWCQJIRAIM-KRWDZBQOSA-N 0 3 363.299 3.415 20 30 FGEDHN C=CC[C@@H]1N(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CCCC1(C)C ZINC000445151759 500949275 /nfs/dbraw/zinc/94/92/75/500949275.db2.gz UFVPTQDYEXHDMI-OALUTQOASA-N 0 3 364.578 3.036 20 30 FGEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000439885408 500950185 /nfs/dbraw/zinc/95/01/85/500950185.db2.gz BGUWHQITOLXHNC-GOSISDBHSA-N 0 3 356.470 3.340 20 30 FGEDHN CC1(C#N)CCC(N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000449294989 500969352 /nfs/dbraw/zinc/96/93/52/500969352.db2.gz OQPHVAHSFSQSHZ-NPCAHTBFSA-N 0 3 350.260 3.038 20 30 FGEDHN CN(C)CCN(Cc1ccnn1C1CCCC1)Cc1ccc(C#N)cc1 ZINC000449317456 500975814 /nfs/dbraw/zinc/97/58/14/500975814.db2.gz CJKFCJGTXMCXSE-UHFFFAOYSA-N 0 3 351.498 3.434 20 30 FGEDHN CO[C@@H]1C[C@@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000449632128 501046563 /nfs/dbraw/zinc/04/65/63/501046563.db2.gz MFDFDZBONYEUBB-RTBURBONSA-N 0 3 365.481 3.248 20 30 FGEDHN COc1cc(CNC[C@H](CO)Cc2c(F)cccc2Cl)ccc1C#N ZINC000440827957 501053562 /nfs/dbraw/zinc/05/35/62/501053562.db2.gz SECIGWDWKXAFDI-CQSZACIVSA-N 0 3 362.832 3.300 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](CC)Oc2cccc(Cl)c2)CC1 ZINC000441082125 501085654 /nfs/dbraw/zinc/08/56/54/501085654.db2.gz VXUCXESQDKAGSH-KRWDZBQOSA-N 0 3 365.905 3.447 20 30 FGEDHN N#Cc1cnc(NCC2(N3CCSCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000450330450 501092106 /nfs/dbraw/zinc/09/21/06/501092106.db2.gz OVBQMZQROOVGQW-UHFFFAOYSA-N 0 3 361.471 3.025 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000588206833 506234808 /nfs/dbraw/zinc/23/48/08/506234808.db2.gz MZMLOKVSESYSQV-WMZOPIPTSA-N 0 3 366.868 3.370 20 30 FGEDHN CCN(CCN1CCCCCC1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000588211910 506235972 /nfs/dbraw/zinc/23/59/72/506235972.db2.gz ZFWSGQKWMZSPPE-UHFFFAOYSA-N 0 3 362.543 3.373 20 30 FGEDHN CCOC(=O)[C@@](C)(CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602631534 506239216 /nfs/dbraw/zinc/23/92/16/506239216.db2.gz QEOPMBFTSBNKIO-XLIONFOSSA-N 0 3 358.482 3.196 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCOC2(C)C)c1C#N ZINC000451236706 501253940 /nfs/dbraw/zinc/25/39/40/501253940.db2.gz AUSLCWDIXABUDJ-KRWDZBQOSA-N 0 3 358.486 3.187 20 30 FGEDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ncc1C#N ZINC000457586402 501263817 /nfs/dbraw/zinc/26/38/17/501263817.db2.gz VHORHCKZVYTCOK-YLJYHZDGSA-N 0 3 362.477 3.387 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C)c(C#N)cn1 ZINC000457598058 501265726 /nfs/dbraw/zinc/26/57/26/501265726.db2.gz BJJZTPWFMFMJNW-IBGZPJMESA-N 0 3 362.477 3.246 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451418352 501288190 /nfs/dbraw/zinc/28/81/90/501288190.db2.gz MKKWRRHXMUNXIU-NJYVYQBISA-N 0 3 369.509 3.176 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O)C(C)C ZINC000457763011 501304052 /nfs/dbraw/zinc/30/40/52/501304052.db2.gz YUYSHSCCGKMMKH-MTQWCTHYSA-N 0 3 363.546 3.020 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C ZINC000451494509 501305688 /nfs/dbraw/zinc/30/56/88/501305688.db2.gz KWVMPLBQARXNDY-HZPDHXFCSA-N 0 3 361.511 3.230 20 30 FGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(F)c(I)c1 ZINC000453355578 501319088 /nfs/dbraw/zinc/31/90/88/501319088.db2.gz MLAUFGZWIHEVOM-ZYHUDNBSSA-N 0 3 363.214 3.408 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000453359844 501319835 /nfs/dbraw/zinc/31/98/35/501319835.db2.gz PKFNUSKYHDSALN-LZQZEXGQSA-N 0 3 366.527 3.101 20 30 FGEDHN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000453423267 501328499 /nfs/dbraw/zinc/32/84/99/501328499.db2.gz CRCBHXVAVHIHCF-SFHVURJKSA-N 0 3 359.518 3.160 20 30 FGEDHN C=CCn1c(N2CCN(CCC(C)(C)C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453433785 501331469 /nfs/dbraw/zinc/33/14/69/501331469.db2.gz DFMHUFUZNZZAMW-HXUWFJFHSA-N 0 3 361.534 3.048 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000451602575 501334604 /nfs/dbraw/zinc/33/46/04/501334604.db2.gz XFNNTYGYZQCTTM-FUHIMQAGSA-N 0 3 356.491 3.195 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000451604726 501335387 /nfs/dbraw/zinc/33/53/87/501335387.db2.gz IHQJFNJUUSFFEA-GLQYFDAESA-N 0 3 353.260 3.018 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453452296 501335508 /nfs/dbraw/zinc/33/55/08/501335508.db2.gz SWTJZELVQLEKHF-GOSISDBHSA-N 0 3 369.513 3.272 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453468199 501340407 /nfs/dbraw/zinc/34/04/07/501340407.db2.gz XIXAZBAAYNEOEA-FKSLSLAPSA-N 0 3 373.545 3.261 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](O)CC(C)(C)C1 ZINC000451806368 501376472 /nfs/dbraw/zinc/37/64/72/501376472.db2.gz FNXVXLAYHWSZJW-HOTGVXAUSA-N 0 3 350.528 3.134 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)c1ccco1 ZINC000455752425 501379175 /nfs/dbraw/zinc/37/91/75/501379175.db2.gz CJHQVRKEWXFGSK-ABAIWWIYSA-N 0 3 361.833 3.451 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)c1ccco1 ZINC000455752428 501379203 /nfs/dbraw/zinc/37/92/03/501379203.db2.gz CJHQVRKEWXFGSK-NHYWBVRUSA-N 0 3 361.833 3.451 20 30 FGEDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000451836065 501383074 /nfs/dbraw/zinc/38/30/74/501383074.db2.gz GPSLWLFVTGUFSZ-IAGOWNOFSA-N 0 3 374.554 3.293 20 30 FGEDHN Cc1cc(NC(=O)Cc2c(F)cccc2C#N)ccc1OCCN(C)C ZINC000458197163 501390143 /nfs/dbraw/zinc/39/01/43/501390143.db2.gz HJTWHDIXWHLUNU-UHFFFAOYSA-N 0 3 355.413 3.127 20 30 FGEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CCN(CC(F)(F)F)C1 ZINC000451876831 501391092 /nfs/dbraw/zinc/39/10/92/501391092.db2.gz YYUNMFCCGKHORJ-OAHLLOKOSA-N 0 3 355.404 3.143 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1F ZINC000458288394 501412826 /nfs/dbraw/zinc/41/28/26/501412826.db2.gz LHNOCOKXFVDEMY-UHFFFAOYSA-N 0 3 367.424 3.308 20 30 FGEDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000452038460 501422895 /nfs/dbraw/zinc/42/28/95/501422895.db2.gz XYRGNGHAWGCTAN-DAXOMENPSA-N 0 3 361.511 3.373 20 30 FGEDHN C=CCOCC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000452450201 501503091 /nfs/dbraw/zinc/50/30/91/501503091.db2.gz GNNPKYVMBLAAGS-NRFANRHFSA-N 0 3 356.510 3.338 20 30 FGEDHN C=C[C@](C)(O)CC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000452449196 501503329 /nfs/dbraw/zinc/50/33/29/501503329.db2.gz AYLPEGRZHCMXAC-GGAORHGYSA-N 0 3 370.537 3.463 20 30 FGEDHN CN(C)CCOC1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458800334 501534591 /nfs/dbraw/zinc/53/45/91/501534591.db2.gz KXFPNCHYQPJFEV-FQEVSTJZSA-N 0 3 372.513 3.174 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000459128221 501599493 /nfs/dbraw/zinc/59/94/93/501599493.db2.gz SVZUGPNTIUUOJO-UHFFFAOYSA-N 0 3 370.428 3.096 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)CC#N ZINC000459260471 501620747 /nfs/dbraw/zinc/62/07/47/501620747.db2.gz QKTSZVKQAXNNOB-SFHVURJKSA-N 0 3 357.502 3.017 20 30 FGEDHN CC1(C)CCCN1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000457062427 501643309 /nfs/dbraw/zinc/64/33/09/501643309.db2.gz VCABRESVFPLZRH-UHFFFAOYSA-N 0 3 364.449 3.350 20 30 FGEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000457113129 501652762 /nfs/dbraw/zinc/65/27/62/501652762.db2.gz JRLUFFYITGXOHG-KRWDZBQOSA-N 0 3 367.449 3.285 20 30 FGEDHN Cc1nsc(NC(=O)NC2CCN(Cc3ccccc3C)CC2)c1C#N ZINC000459550307 501674720 /nfs/dbraw/zinc/67/47/20/501674720.db2.gz IHSQTUBIZPBRSH-UHFFFAOYSA-N 0 3 369.494 3.418 20 30 FGEDHN Cc1nsc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1C#N ZINC000459558339 501676513 /nfs/dbraw/zinc/67/65/13/501676513.db2.gz FZTLSHHZBCROEH-AWEZNQCLSA-N 0 3 369.494 3.309 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000459561850 501676928 /nfs/dbraw/zinc/67/69/28/501676928.db2.gz NJVTVWTYZPQASA-IUODEOHRSA-N 0 3 355.467 3.108 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)N(C)C ZINC000459686621 501699197 /nfs/dbraw/zinc/69/91/97/501699197.db2.gz GCIGHTOCWINJCS-LLVKDONJSA-N 0 3 356.264 3.086 20 30 FGEDHN CCOC[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459728309 501705359 /nfs/dbraw/zinc/70/53/59/501705359.db2.gz ZIEJVDVSLUWEEF-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000459766783 501711121 /nfs/dbraw/zinc/71/11/21/501711121.db2.gz PTIKYEWXPWURLC-RTBURBONSA-N 0 3 355.482 3.097 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)nc(C(F)F)n3C)nc(C)n1 ZINC000467196738 501734986 /nfs/dbraw/zinc/73/49/86/501734986.db2.gz QKKVRBXUMIIGCE-LBPRGKRZSA-N 0 3 355.348 3.408 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000463505931 501745089 /nfs/dbraw/zinc/74/50/89/501745089.db2.gz GVLSRPLFTVWWBV-UHFFFAOYSA-N 0 3 370.449 3.453 20 30 FGEDHN C[C@H]1CCCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000481586472 501823858 /nfs/dbraw/zinc/82/38/58/501823858.db2.gz ICIPLYDWBUEQDQ-HNNXBMFYSA-N 0 3 352.400 3.295 20 30 FGEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478208419 501910649 /nfs/dbraw/zinc/91/06/49/501910649.db2.gz PDPUYGFLVSIZCF-AWEZNQCLSA-N 0 3 354.454 3.169 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCC)CCN1CCCCCC1 ZINC000460761509 501914235 /nfs/dbraw/zinc/91/42/35/501914235.db2.gz ZKOLGZSRBXUWMX-RTBURBONSA-N 0 3 351.535 3.265 20 30 FGEDHN COCCOCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000464202396 501921095 /nfs/dbraw/zinc/92/10/95/501921095.db2.gz AJSQAEBTNWIYDD-KRWDZBQOSA-N 0 3 361.401 3.283 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(-c2n[nH]c(C)n2)c1)C(C)C ZINC000474697932 501924678 /nfs/dbraw/zinc/92/46/78/501924678.db2.gz PKXXTTFASGIACK-IBGZPJMESA-N 0 3 367.497 3.209 20 30 FGEDHN COc1c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)oc2ccccc21 ZINC000471142399 501933821 /nfs/dbraw/zinc/93/38/21/501933821.db2.gz AXTVDKOPISXKGF-INIZCTEOSA-N 0 3 359.385 3.312 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C[C@H]1C ZINC000460848892 501937242 /nfs/dbraw/zinc/93/72/42/501937242.db2.gz LCGSLSAPLFQQIY-IAGOWNOFSA-N 0 3 366.513 3.392 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(F)c(Cl)cc2F)cc1 ZINC000471160928 501940228 /nfs/dbraw/zinc/94/02/28/501940228.db2.gz IPJUFAGIDHXCRK-ZDUSSCGKSA-N 0 3 359.763 3.489 20 30 FGEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)N(CC)CC ZINC000460858801 501940920 /nfs/dbraw/zinc/94/09/20/501940920.db2.gz KHERWNCBCKFGEG-HUUCEWRRSA-N 0 3 352.276 3.250 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1OC ZINC000478367866 501956912 /nfs/dbraw/zinc/95/69/12/501956912.db2.gz GFHOMESCQLEBRF-RTBURBONSA-N 0 3 366.461 3.088 20 30 FGEDHN CC[C@H](NCCC(=O)N(C)CCC#N)c1cc(F)cc(Br)c1 ZINC000485841453 501957699 /nfs/dbraw/zinc/95/76/99/501957699.db2.gz APOCVXFTOVDZGC-HNNXBMFYSA-N 0 3 370.266 3.391 20 30 FGEDHN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)C(C)C#N ZINC000478464232 501990389 /nfs/dbraw/zinc/99/03/89/501990389.db2.gz RCOKDBJJVFIXQL-WFASDCNBSA-N 0 3 353.260 3.063 20 30 FGEDHN CC(C)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCCCC1 ZINC000468228393 501997033 /nfs/dbraw/zinc/99/70/33/501997033.db2.gz GJMLLTYJLKYFIQ-UHFFFAOYSA-N 0 3 352.438 3.208 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2ccnn2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464461702 501997267 /nfs/dbraw/zinc/99/72/67/501997267.db2.gz MXGHBZMVBCZFKL-CQSZACIVSA-N 0 3 357.295 3.171 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1cccc(C#N)c1)N(C)C ZINC000478534908 502011378 /nfs/dbraw/zinc/01/13/78/502011378.db2.gz BJKUJQJONXYRMM-OXQOHEQNSA-N 0 3 350.466 3.357 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@@H]2N(C)CCCC2(C)C)c(OC)c1 ZINC000468489806 502078292 /nfs/dbraw/zinc/07/82/92/502078292.db2.gz YUZSIASBQGZHSF-IBGZPJMESA-N 0 3 360.498 3.039 20 30 FGEDHN C[C@@H]1CC[C@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000464821025 502105447 /nfs/dbraw/zinc/10/54/47/502105447.db2.gz GEZIFYXTZKONDR-LSDHHAIUSA-N 0 3 352.400 3.294 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475312186 502129103 /nfs/dbraw/zinc/12/91/03/502129103.db2.gz BDLIJDWZVIULHR-FXAWDEMLSA-N 0 3 363.461 3.058 20 30 FGEDHN N#CC(C(=O)Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000461793585 502204174 /nfs/dbraw/zinc/20/41/74/502204174.db2.gz FKVYMESQVDJVNF-JTQLQIEISA-N 0 3 350.256 3.254 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)C[C@H](CC#N)c2ccccc2)cc1 ZINC000475586343 502219642 /nfs/dbraw/zinc/21/96/42/502219642.db2.gz CWQWQHTXNNMCGB-FQEVSTJZSA-N 0 3 365.477 3.331 20 30 FGEDHN C[C@H]1[C@H](NC(=O)NCC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC000588672785 506301677 /nfs/dbraw/zinc/30/16/77/506301677.db2.gz YMXROLXZXPRFKP-USWSCHJFSA-N 0 3 354.498 3.279 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2nccnc2cc1F)C(C)C ZINC000472148481 502248145 /nfs/dbraw/zinc/24/81/45/502248145.db2.gz AODKQTVMRLIEGJ-LJQANCHMSA-N 0 3 356.445 3.197 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462021915 502278325 /nfs/dbraw/zinc/27/83/25/502278325.db2.gz GEVOKTCNOQJKER-HNNXBMFYSA-N 0 3 351.454 3.154 20 30 FGEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475799070 502294397 /nfs/dbraw/zinc/29/43/97/502294397.db2.gz RJKUXHDIICJDHI-KRWDZBQOSA-N 0 3 369.575 3.280 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC/C=C\c2ccccc2)cc1 ZINC000483449287 502397202 /nfs/dbraw/zinc/39/72/02/502397202.db2.gz SJCDMFUUURFUMO-KKTNHOPESA-N 0 3 369.446 3.207 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487856655 502548457 /nfs/dbraw/zinc/54/84/57/502548457.db2.gz NHXOXPLCURNTSR-UHFFFAOYSA-N 0 3 363.259 3.093 20 30 FGEDHN CN(C)CCOc1cccc(-c2ccc(S(=O)(=O)C(C)(C)C#N)cc2)c1 ZINC000592985132 506322492 /nfs/dbraw/zinc/32/24/92/506322492.db2.gz UIBUNVRLYVGBMZ-UHFFFAOYSA-N 0 3 372.490 3.370 20 30 FGEDHN CC(C)O[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000462833658 502593020 /nfs/dbraw/zinc/59/30/20/502593020.db2.gz MTWOGGALDVEHGY-GUDVDZBRSA-N 0 3 355.482 3.235 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(CCOCC2)CC1)C(C)C ZINC000480537005 502596072 /nfs/dbraw/zinc/59/60/72/502596072.db2.gz BIXKZIFNDOLOPZ-LJQANCHMSA-N 0 3 363.546 3.287 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(CC(OCC)C2)C1)C(C)C ZINC000480544837 502598361 /nfs/dbraw/zinc/59/83/61/502598361.db2.gz YNNFETHNOKLQRA-SCCNAQOGSA-N 0 3 363.546 3.286 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000588746276 506324688 /nfs/dbraw/zinc/32/46/88/506324688.db2.gz BGBBWJGRHRIORV-XUVXKRRUSA-N 0 3 354.498 3.342 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ncc(C#N)cc1Cl ZINC000470072648 502649663 /nfs/dbraw/zinc/64/96/63/502649663.db2.gz LYQGPWWBIIKBHO-UHFFFAOYSA-N 0 3 350.800 3.453 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCOc3c(F)ccc(F)c32)cc1 ZINC000463019605 502661441 /nfs/dbraw/zinc/66/14/41/502661441.db2.gz JNJOFNHMLYBMIQ-RHSMWYFYSA-N 0 3 367.355 3.159 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1 ZINC000480998837 502723778 /nfs/dbraw/zinc/72/37/78/502723778.db2.gz NRVCBNPWJQGDMF-NSHDSACASA-N 0 3 371.409 3.072 20 30 FGEDHN CC1(C)CCCN(CCNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000470287613 502726364 /nfs/dbraw/zinc/72/63/64/502726364.db2.gz MYPVUZIUQBAHIS-UHFFFAOYSA-N 0 3 357.498 3.346 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncnc2cc(F)c(F)cc21 ZINC000470501646 502796816 /nfs/dbraw/zinc/79/68/16/502796816.db2.gz ZQAWESPMPYSRFW-UHFFFAOYSA-N 0 3 367.403 3.348 20 30 FGEDHN N#Cc1c(Br)cccc1N1CCC(N2CCCOCC2)CC1 ZINC000596268636 506335393 /nfs/dbraw/zinc/33/53/93/506335393.db2.gz NFIOOWDBBRAHAM-UHFFFAOYSA-N 0 3 364.287 3.012 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cscc3C#N)c2)CC1 ZINC000495365244 502830303 /nfs/dbraw/zinc/83/03/03/502830303.db2.gz AEQRRRQSNWINOF-UHFFFAOYSA-N 0 3 354.479 3.402 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2cccn2)cc1)C(C)C ZINC000495965778 502868269 /nfs/dbraw/zinc/86/82/69/502868269.db2.gz NCEXMNYYGGTDRG-FQEVSTJZSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(C)C ZINC000495999041 502869023 /nfs/dbraw/zinc/86/90/23/502869023.db2.gz GUXLDSVCEIATOY-MJGOQNOKSA-N 0 3 362.901 3.458 20 30 FGEDHN N#CC(C(=O)c1ccc(OC(F)F)c(F)c1)c1nnc2n1CCCCC2 ZINC000496723975 502902180 /nfs/dbraw/zinc/90/21/80/502902180.db2.gz SKQFXRQPJRBQDD-LLVKDONJSA-N 0 3 364.327 3.235 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(C#N)CC2)N(C)C)cc1 ZINC000513369426 502917171 /nfs/dbraw/zinc/91/71/71/502917171.db2.gz DXWPYWHNTIHMOO-FQEVSTJZSA-N 0 3 356.514 3.433 20 30 FGEDHN N#Cc1ccccc1NC1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000602894454 506341700 /nfs/dbraw/zinc/34/17/00/506341700.db2.gz CDAXAEGGSGETPV-SFHVURJKSA-N 0 3 371.506 3.074 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000505652368 502959600 /nfs/dbraw/zinc/95/96/00/502959600.db2.gz SVLOSIXOSMTTLC-KRWDZBQOSA-N 0 3 357.498 3.124 20 30 FGEDHN Cc1cc(C(=O)Nc2ccc(CN(C)C)cc2)nn1-c1cccc(C#N)c1 ZINC000505742428 502976293 /nfs/dbraw/zinc/97/62/93/502976293.db2.gz SAZXTNZYMXOOMW-UHFFFAOYSA-N 0 3 359.433 3.366 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513725987 503011097 /nfs/dbraw/zinc/01/10/97/503011097.db2.gz VRIGRIRTNCRXPT-ZOCIIQOWSA-N 0 3 364.436 3.443 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(F)c1C#N ZINC000489699581 503014237 /nfs/dbraw/zinc/01/42/37/503014237.db2.gz HDUMLGHAHPATKJ-QRWLVFNGSA-N 0 3 351.425 3.338 20 30 FGEDHN N#Cc1ccc(C2CCN(C[C@@H](O)Cc3cccc(Cl)c3)CC2)nc1 ZINC000602909120 506347380 /nfs/dbraw/zinc/34/73/80/506347380.db2.gz YUXCPSFXRBNFRU-IBGZPJMESA-N 0 3 355.869 3.390 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000599150099 506347434 /nfs/dbraw/zinc/34/74/34/506347434.db2.gz XPZNYXOMKIXRLP-AZUAARDMSA-N 0 3 352.482 3.252 20 30 FGEDHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cccc(C#N)c2C)C1 ZINC000513824377 503031689 /nfs/dbraw/zinc/03/16/89/503031689.db2.gz KCAGUTVMJUNSMM-MRXNPFEDSA-N 0 3 368.506 3.226 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000513859546 503038051 /nfs/dbraw/zinc/03/80/51/503038051.db2.gz MWAOBSFMJKTJIC-HPBDAGMYSA-N 0 3 360.523 3.198 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccn(-c2ccccc2F)n1)C(C)C ZINC000498376310 503172906 /nfs/dbraw/zinc/17/29/06/503172906.db2.gz OQSRRVQJHFCXBV-HXUWFJFHSA-N 0 3 370.472 3.440 20 30 FGEDHN CCCN(CCC(=O)NCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000511102470 503255082 /nfs/dbraw/zinc/25/50/82/503255082.db2.gz UJWKILWQFYGEBV-UHFFFAOYSA-N 0 3 363.461 3.159 20 30 FGEDHN Cn1cc(CN(CCCO)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000491081034 503271306 /nfs/dbraw/zinc/27/13/06/503271306.db2.gz ALSFLSJHVNACPM-UHFFFAOYSA-N 0 3 360.461 3.343 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)Cc1c(F)cccc1C#N)c1ccccc1 ZINC000511181042 503275284 /nfs/dbraw/zinc/27/52/84/503275284.db2.gz DBMWLOJWXSEQKW-OAHLLOKOSA-N 0 3 353.441 3.485 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000491293406 503293692 /nfs/dbraw/zinc/29/36/92/503293692.db2.gz DSIQWZFPPLQRIO-JOCHJYFZSA-N 0 3 359.473 3.328 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1C ZINC000498931160 503297348 /nfs/dbraw/zinc/29/73/48/503297348.db2.gz YGOPMJWMWKLJES-ULQDDVLXSA-N 0 3 374.554 3.291 20 30 FGEDHN N#CC1(NC(=O)CN[C@H](CN2CCCCC2)c2ccccc2)CCCCC1 ZINC000611935135 506366789 /nfs/dbraw/zinc/36/67/89/506366789.db2.gz MBCQXQCJHASVBV-HXUWFJFHSA-N 0 3 368.525 3.146 20 30 FGEDHN C[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)N(C)Cc1ccccc1 ZINC000511662109 503365078 /nfs/dbraw/zinc/36/50/78/503365078.db2.gz ADVGZPUUZICYRL-MRXNPFEDSA-N 0 3 365.452 3.366 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)C1 ZINC000512103669 503458260 /nfs/dbraw/zinc/45/82/60/503458260.db2.gz FEINMYITIWMQIZ-UWJYYQICSA-N 0 3 365.452 3.312 20 30 FGEDHN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000582705914 506374115 /nfs/dbraw/zinc/37/41/15/506374115.db2.gz ISZLNOLBNGONLA-GCJKJVERSA-N 0 3 350.462 3.295 20 30 FGEDHN COCCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000593071523 506374129 /nfs/dbraw/zinc/37/41/29/506374129.db2.gz ZGWIBGFKLZCUNI-CVEARBPZSA-N 0 3 370.371 3.285 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCC#Cc2cccc(F)c2)CN1Cc1ccccc1 ZINC000512189882 503481667 /nfs/dbraw/zinc/48/16/67/503481667.db2.gz QGAGEIZKQGUNAT-DYESRHJHSA-N 0 3 365.452 3.139 20 30 FGEDHN CCC[C@]1(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCOC1 ZINC000512245141 503496531 /nfs/dbraw/zinc/49/65/31/503496531.db2.gz PYTLQIBILAVMHW-IBGZPJMESA-N 0 3 363.889 3.444 20 30 FGEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000508461197 503498287 /nfs/dbraw/zinc/49/82/87/503498287.db2.gz JQLDNJHMOHGEBU-PKOBYXMFSA-N 0 3 373.545 3.264 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(-n2cccn2)c1)C(C)C ZINC000516507786 503523534 /nfs/dbraw/zinc/52/35/34/503523534.db2.gz GQQYBMBQAILJPO-HXUWFJFHSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCn1c(C2CCC2)nnc1N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508728369 503552234 /nfs/dbraw/zinc/55/22/34/503552234.db2.gz ACZFMTUXKARWJH-IAGOWNOFSA-N 0 3 373.545 3.057 20 30 FGEDHN C=CCc1cc(CNCc2ccccc2Cn2cncn2)cc(OC)c1O ZINC000508741559 503555266 /nfs/dbraw/zinc/55/52/66/503555266.db2.gz XXPDFLZRGNREOA-UHFFFAOYSA-N 0 3 364.449 3.059 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCC2CCC(C#N)CC2)[C@H](C(F)(F)F)C1 ZINC000512478752 503565624 /nfs/dbraw/zinc/56/56/24/503565624.db2.gz DPUGWRMRHGWXJH-NEXFUWMNSA-N 0 3 359.436 3.341 20 30 FGEDHN CCCOc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c(C)c1 ZINC000516863196 503604071 /nfs/dbraw/zinc/60/40/71/503604071.db2.gz XFXTZALTWZFCIO-LJQANCHMSA-N 0 3 354.450 3.185 20 30 FGEDHN C=CCn1c(CCCc2cccs2)nnc1N1CCN(CC2CC2)CC1 ZINC000508948709 503606550 /nfs/dbraw/zinc/60/65/50/503606550.db2.gz DVFXUUGDFKPJKB-UHFFFAOYSA-N 0 3 371.554 3.233 20 30 FGEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508957045 503607778 /nfs/dbraw/zinc/60/77/78/503607778.db2.gz WDXICNFFCHWKOZ-UHFFFAOYSA-N 0 3 354.502 3.084 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512823705 503640105 /nfs/dbraw/zinc/64/01/05/503640105.db2.gz XJTFNZGAPIFUER-IRXDYDNUSA-N 0 3 369.509 3.218 20 30 FGEDHN COc1ccc(CCN(CC(=O)NC2(C#N)CCC2)CC(C)(C)C)cc1 ZINC000527128275 503690841 /nfs/dbraw/zinc/69/08/41/503690841.db2.gz KBONOJSMZRNKJA-UHFFFAOYSA-N 0 3 357.498 3.148 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC000536745800 503709328 /nfs/dbraw/zinc/70/93/28/503709328.db2.gz KPRLOXFYLDRHPA-OTWHNJEPSA-N 0 3 351.535 3.188 20 30 FGEDHN N#Cc1cccc(C2(C(=O)NCC3CCN(c4ccncc4)CC3)CC2)c1 ZINC000536784952 503722505 /nfs/dbraw/zinc/72/25/05/503722505.db2.gz LFHMEYVZWABMHX-UHFFFAOYSA-N 0 3 360.461 3.018 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000540322470 503736511 /nfs/dbraw/zinc/73/65/11/503736511.db2.gz PJAKWWGYYNGKED-LXIYXOSZSA-N 0 3 353.413 3.382 20 30 FGEDHN C=CCOc1cccc(CNC[C@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000517525378 503763467 /nfs/dbraw/zinc/76/34/67/503763467.db2.gz MEGLIISHUBKLFN-HXUWFJFHSA-N 0 3 371.550 3.391 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000540444640 503773079 /nfs/dbraw/zinc/77/30/79/503773079.db2.gz BNMBJPSGPRWXMX-SFHVURJKSA-N 0 3 351.450 3.213 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000527463214 503797368 /nfs/dbraw/zinc/79/73/68/503797368.db2.gz FYPWBMOJDYBJNS-WOJBJXKFSA-N 0 3 359.429 3.168 20 30 FGEDHN C=CCC[C@@H](NCC(=O)N1CCCC[C@@H]1C(=O)OCC)c1ccccc1 ZINC000537157558 503821692 /nfs/dbraw/zinc/82/16/92/503821692.db2.gz MLSGHURGMGRAGK-RTBURBONSA-N 0 3 358.482 3.228 20 30 FGEDHN C[C@H]1C[C@H](Nc2c(C#N)cnc3ccc(OC(F)F)cc32)CN1C1CC1 ZINC000517751252 503825267 /nfs/dbraw/zinc/82/52/67/503825267.db2.gz PBXRJMJBGFZPJS-AAEUAGOBSA-N 0 3 358.392 3.167 20 30 FGEDHN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000517892608 503859760 /nfs/dbraw/zinc/85/97/60/503859760.db2.gz ZCXLJPVHCZRQHA-KRWDZBQOSA-N 0 3 372.375 3.469 20 30 FGEDHN C=CCN(CC=C)C(=O)CN(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517901776 503863346 /nfs/dbraw/zinc/86/33/46/503863346.db2.gz RYHQEWKPWVPDLJ-TZIWHRDSSA-N 0 3 355.526 3.344 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000533539665 503882456 /nfs/dbraw/zinc/88/24/56/503882456.db2.gz AVHNPRBAVXBMFR-KZNAEPCWSA-N 0 3 373.472 3.209 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(SCc3nc(C)no3)cc2)CC1 ZINC000517987585 503882546 /nfs/dbraw/zinc/88/25/46/503882546.db2.gz JNUHTQCNNINOKC-UHFFFAOYSA-N 0 3 372.494 3.051 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000543906154 503937666 /nfs/dbraw/zinc/93/76/66/503937666.db2.gz WXFXSBJAGAIREU-FNODVLLQSA-N 0 3 361.492 3.037 20 30 FGEDHN CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000527807574 503953813 /nfs/dbraw/zinc/95/38/13/503953813.db2.gz LMKCQPYNCPQNIM-KRWDZBQOSA-N 0 3 359.351 3.494 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1C1CCOCC1)C(C)C ZINC000537565186 503956909 /nfs/dbraw/zinc/95/69/09/503956909.db2.gz BCCFQOXWEOAXQF-VQTJNVASSA-N 0 3 363.546 3.286 20 30 FGEDHN N#CCc1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000544072034 503997309 /nfs/dbraw/zinc/99/73/09/503997309.db2.gz PQFQBYZMECLLOE-UHFFFAOYSA-N 0 3 367.518 3.385 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000533944852 503997762 /nfs/dbraw/zinc/99/77/62/503997762.db2.gz VNBLMGWPCABGKG-NRFANRHFSA-N 0 3 372.509 3.080 20 30 FGEDHN CCC(C#N)(CC)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000528277066 504142826 /nfs/dbraw/zinc/14/28/26/504142826.db2.gz BPMOWVKXCIAEMD-UHFFFAOYSA-N 0 3 357.498 3.353 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CN1C1CC1 ZINC000531006611 504160399 /nfs/dbraw/zinc/16/03/99/504160399.db2.gz FUAAGJXQLHICBN-MCYKXBRJSA-N 0 3 352.482 3.093 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccccc2C#N)cc1 ZINC000528345345 504179600 /nfs/dbraw/zinc/17/96/00/504179600.db2.gz JUYMYROJXHKCJW-AZUAARDMSA-N 0 3 352.434 3.144 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000528351956 504183274 /nfs/dbraw/zinc/18/32/74/504183274.db2.gz JYAYSDUEGSRSTF-UXHICEINSA-N 0 3 354.425 3.144 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000538275350 504184847 /nfs/dbraw/zinc/18/48/47/504184847.db2.gz DMPONQWNLVTRRT-AZUAARDMSA-N 0 3 357.498 3.265 20 30 FGEDHN Cc1cc([C@H](NC[C@H](O)COc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000538322652 504206544 /nfs/dbraw/zinc/20/65/44/504206544.db2.gz DXUZJKQWONHNME-GHTZIAJQSA-N 0 3 354.425 3.486 20 30 FGEDHN COc1cccc([C@@H]2C[C@@H](C)CN2C[C@H](O)COc2ccccc2C#N)c1 ZINC000528444955 504227785 /nfs/dbraw/zinc/22/77/85/504227785.db2.gz ZEFCPFUFUNFSDB-PBEJRMEISA-N 0 3 366.461 3.390 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3cscc3C#N)cc2)CC1 ZINC000519576869 504259858 /nfs/dbraw/zinc/25/98/58/504259858.db2.gz TWKDNVHGSPPQMZ-UHFFFAOYSA-N 0 3 354.479 3.010 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](CCO)C(C)(C)C)c1C#N ZINC000544893726 504292154 /nfs/dbraw/zinc/29/21/54/504292154.db2.gz JXXYTNWDMPSXKV-SFHVURJKSA-N 0 3 374.529 3.417 20 30 FGEDHN COc1ccc([C@H](C)NCCOc2ccc(C#N)cc2OC)c(OC)c1 ZINC000528671439 504323922 /nfs/dbraw/zinc/32/39/22/504323922.db2.gz APMGFDNJYRAFGY-AWEZNQCLSA-N 0 3 356.422 3.314 20 30 FGEDHN N#Cc1ccc(CC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cn1 ZINC000528745317 504361956 /nfs/dbraw/zinc/36/19/56/504361956.db2.gz SSJGYUFPTDREEB-HSZRJFAPSA-N 0 3 374.488 3.010 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1C#N ZINC000528770356 504372494 /nfs/dbraw/zinc/37/24/94/504372494.db2.gz YZBIXXPHFRXCJF-XXLXZOJFSA-N 0 3 372.513 3.432 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000548277422 504382953 /nfs/dbraw/zinc/38/29/53/504382953.db2.gz NRTISDXBXLCVCV-GOSISDBHSA-N 0 3 373.566 3.205 20 30 FGEDHN Cc1ccc(CCN(CCC(=O)N(C)CCC#N)Cc2ccco2)cc1 ZINC000538952959 504428301 /nfs/dbraw/zinc/42/83/01/504428301.db2.gz DFXDKRSTTXKWRM-UHFFFAOYSA-N 0 3 353.466 3.395 20 30 FGEDHN COC(=O)CC1(NCc2cc(C#N)ccc2Br)CCCC1 ZINC000548427494 504442324 /nfs/dbraw/zinc/44/23/24/504442324.db2.gz KGRBEIATFHFVES-UHFFFAOYSA-N 0 3 351.244 3.286 20 30 FGEDHN C=CCCCN(C)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000535584165 504478404 /nfs/dbraw/zinc/47/84/04/504478404.db2.gz DWXVRZOCLYCREM-LJQANCHMSA-N 0 3 363.933 3.491 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000520497852 504513519 /nfs/dbraw/zinc/51/35/19/504513519.db2.gz IKCKNMVWKWYHIR-INIZCTEOSA-N 0 3 351.450 3.183 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000539337753 504533869 /nfs/dbraw/zinc/53/38/69/504533869.db2.gz VFTUHEWEKZONBH-WMZOPIPTSA-N 0 3 351.450 3.212 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000520702852 504560946 /nfs/dbraw/zinc/56/09/46/504560946.db2.gz LBRICEYGDMZSBT-HXUWFJFHSA-N 0 3 373.497 3.105 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)OCC ZINC000535910764 504580824 /nfs/dbraw/zinc/58/08/24/504580824.db2.gz OCMUSWLNONDTEH-UXHICEINSA-N 0 3 360.498 3.320 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N(C)c1ccc(OCCN2CCCC2)cc1)OCC ZINC000535943697 504589502 /nfs/dbraw/zinc/58/95/02/504589502.db2.gz NFEGJQUGEDCECA-HXUWFJFHSA-N 0 3 360.498 3.495 20 30 FGEDHN CN(C)[C@@H](CNCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000539531138 504599626 /nfs/dbraw/zinc/59/96/26/504599626.db2.gz SAUYNYQOTMRFDE-SFHVURJKSA-N 0 3 353.857 3.252 20 30 FGEDHN O=C(NCC#Cc1ccccc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520952358 504615741 /nfs/dbraw/zinc/61/57/41/504615741.db2.gz LXCUNAPCOSTQNK-HXUWFJFHSA-N 0 3 350.437 3.206 20 30 FGEDHN COc1ccc(C[C@@H](C)CN(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000536419722 504728316 /nfs/dbraw/zinc/72/83/16/504728316.db2.gz GTTNBVKLDYTABE-GOSISDBHSA-N 0 3 371.525 3.490 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc1 ZINC000556155904 504806543 /nfs/dbraw/zinc/80/65/43/504806543.db2.gz BJKIRMDEWCBLQR-LJQANCHMSA-N 0 3 355.482 3.338 20 30 FGEDHN N#Cc1cnn2cc(CNCCCCOc3ccc(Cl)cc3)cnc12 ZINC000556228443 504823391 /nfs/dbraw/zinc/82/33/91/504823391.db2.gz RFFUICJRDYMDKK-UHFFFAOYSA-N 0 3 355.829 3.203 20 30 FGEDHN N#Cc1ccc(NC(=O)CNC2(Cc3ccc(F)cc3)CCOCC2)cc1 ZINC000549785888 504899120 /nfs/dbraw/zinc/89/91/20/504899120.db2.gz VVYYDENDMYFEKH-UHFFFAOYSA-N 0 3 367.424 3.017 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000565478759 504899663 /nfs/dbraw/zinc/89/96/63/504899663.db2.gz KZXLBKYVHXESPJ-UXHICEINSA-N 0 3 368.502 3.333 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000553504138 504933472 /nfs/dbraw/zinc/93/34/72/504933472.db2.gz JAAGRDUYTTWPEC-ZFWWWQNUSA-N 0 3 370.522 3.251 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)N(CCN2CCCC2)c2ccccc2)c1 ZINC000559948948 504956808 /nfs/dbraw/zinc/95/68/08/504956808.db2.gz DMRKJQYUAKGBTL-UHFFFAOYSA-N 0 3 362.477 3.367 20 30 FGEDHN N#CCCOCCN[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000550105016 504968197 /nfs/dbraw/zinc/96/81/97/504968197.db2.gz DXOZNSBPACOFGS-GHTZIAJQSA-N 0 3 370.424 3.097 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)Cc2cccc(C#N)c2)N(C)C)cc1 ZINC000553671781 504979157 /nfs/dbraw/zinc/97/91/57/504979157.db2.gz WYRIXMGGGYFCFU-NRFANRHFSA-N 0 3 365.477 3.307 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cn2)N(C)C)cc1 ZINC000553734803 504995266 /nfs/dbraw/zinc/99/52/66/504995266.db2.gz OLBOYGSAXSTFEK-HXUWFJFHSA-N 0 3 350.466 3.184 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000562961808 505001159 /nfs/dbraw/zinc/00/11/59/505001159.db2.gz OFSPCFNCDFGNBS-KZNAEPCWSA-N 0 3 365.458 3.339 20 30 FGEDHN CC(C)COc1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000562984127 505009934 /nfs/dbraw/zinc/00/99/34/505009934.db2.gz BNWFLPXFECUQAN-LJQANCHMSA-N 0 3 354.450 3.123 20 30 FGEDHN CC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000566121113 505087924 /nfs/dbraw/zinc/08/79/24/505087924.db2.gz XPBLJPSXZACQOJ-UGKGYDQZSA-N 0 3 364.445 3.168 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000563268713 505092650 /nfs/dbraw/zinc/09/26/50/505092650.db2.gz UFOUHZGVQHAIMZ-UHFFFAOYSA-N 0 3 373.840 3.413 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NCCN1CCCC[C@@H]1CC)c1ccccc1 ZINC000554233895 505122185 /nfs/dbraw/zinc/12/21/85/505122185.db2.gz UZAGJNZJYRHTEA-PMACEKPBSA-N 0 3 371.525 3.191 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000560583925 505134193 /nfs/dbraw/zinc/13/41/93/505134193.db2.gz DAPLUVJNUUGSED-QZTJIDSGSA-N 0 3 367.415 3.178 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000557517264 505154331 /nfs/dbraw/zinc/15/43/31/505154331.db2.gz HQWOIWKWEBNQSB-VBKZILBWSA-N 0 3 369.490 3.195 20 30 FGEDHN COc1ccc(C#N)cc1CN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000551096487 505157051 /nfs/dbraw/zinc/15/70/51/505157051.db2.gz GPQHMCVUMFLEGY-AZUAARDMSA-N 0 3 357.404 3.380 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)CC2 ZINC000557535312 505160486 /nfs/dbraw/zinc/16/04/86/505160486.db2.gz BPTWJLQZAKOFJC-FGZHOGPDSA-N 0 3 359.473 3.369 20 30 FGEDHN CN1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC12CCCCC2 ZINC000566424500 505172108 /nfs/dbraw/zinc/17/21/08/505172108.db2.gz XLGCEAKEAKIBPH-UHFFFAOYSA-N 0 3 360.889 3.100 20 30 FGEDHN N#Cc1cccc(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000557702863 505207697 /nfs/dbraw/zinc/20/76/97/505207697.db2.gz QGNPQIKMWDGEOK-NRFANRHFSA-N 0 3 362.477 3.065 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N(c3c(F)cccc3F)C1)CC2 ZINC000566766786 505267192 /nfs/dbraw/zinc/26/71/92/505267192.db2.gz FXKAVFMIGRTVMD-RDTXWAMCSA-N 0 3 353.372 3.219 20 30 FGEDHN CC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCN1Cc1ccccc1 ZINC000561268155 505299210 /nfs/dbraw/zinc/29/92/10/505299210.db2.gz DQWWYXAUFQHWLI-QGZVFWFLSA-N 0 3 365.437 3.149 20 30 FGEDHN N#Cc1ccc(CN(C(=O)NC[C@@H]2CCCCN2C2CC2)C2CC2)cc1 ZINC000564032517 505306549 /nfs/dbraw/zinc/30/65/49/505306549.db2.gz GAFPIKHFIDXDDS-FQEVSTJZSA-N 0 3 352.482 3.249 20 30 FGEDHN N#Cc1ccc(-c2csc(NC(=O)C3CCN(C4CC4)CC3)n2)cc1 ZINC000564163983 505343025 /nfs/dbraw/zinc/34/30/25/505343025.db2.gz SGBFXUVTZCRLBL-UHFFFAOYSA-N 0 3 352.463 3.495 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCC#Cc1ccccc1)c1ccc(Cl)cc1 ZINC000555113534 505353159 /nfs/dbraw/zinc/35/31/59/505353159.db2.gz RETLDPNLRGFEHC-LJQANCHMSA-N 0 3 355.869 3.294 20 30 FGEDHN N#Cc1cscc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000551983213 505362302 /nfs/dbraw/zinc/36/23/02/505362302.db2.gz RTHUVKFYWFLGAA-UHFFFAOYSA-N 0 3 357.401 3.155 20 30 FGEDHN CC(C)(C#N)CCS(=O)(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000564332699 505386850 /nfs/dbraw/zinc/38/68/50/505386850.db2.gz BVFIOHGDNZRGNG-UHFFFAOYSA-N 0 3 355.548 3.034 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000564403883 505409972 /nfs/dbraw/zinc/40/99/72/505409972.db2.gz TXUVRNVISNWYLZ-NRSPTQNISA-N 0 3 357.494 3.188 20 30 FGEDHN Cc1nnc(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c(C#N)c1C ZINC000561693033 505411806 /nfs/dbraw/zinc/41/18/06/505411806.db2.gz XGKZGTNYOAGKAR-LJQANCHMSA-N 0 3 353.470 3.467 20 30 FGEDHN C[C@H](O)C[C@H]1CCCCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552178988 505421945 /nfs/dbraw/zinc/42/19/45/505421945.db2.gz UHJVDSAZAXPPRX-DBVUQKKJSA-N 0 3 355.482 3.069 20 30 FGEDHN N#Cc1cc(Br)ccc1CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000561892920 505461077 /nfs/dbraw/zinc/46/10/77/505461077.db2.gz JAPOSCUBLFMFJY-INIZCTEOSA-N 0 3 364.287 3.235 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)cccc1N1CCOCC1 ZINC000555585429 505463974 /nfs/dbraw/zinc/46/39/74/505463974.db2.gz FSUHAHDEFJWIQP-HNAYVOBHSA-N 0 3 350.890 3.247 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NCC(C)(C)N1CCCCC1)c1ccccc1 ZINC000555663086 505488579 /nfs/dbraw/zinc/48/85/79/505488579.db2.gz RMTYXVDAFXRLCG-IBGZPJMESA-N 0 3 371.525 3.191 20 30 FGEDHN COc1ccc(NC(=O)C[C@H](C)NCc2ccc(CC#N)cc2)c(OC)c1 ZINC000567612282 505513650 /nfs/dbraw/zinc/51/36/50/505513650.db2.gz HRCAKWUBEMGCCM-HNNXBMFYSA-N 0 3 367.449 3.277 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000555891444 505535005 /nfs/dbraw/zinc/53/50/05/505535005.db2.gz COZGCYCMHAUEJE-UALQAHIBSA-N 0 3 367.474 3.268 20 30 FGEDHN Cc1ccc(C[C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000564855972 505540292 /nfs/dbraw/zinc/54/02/92/505540292.db2.gz ICDSKQNPNOTLEJ-QGZVFWFLSA-N 0 3 356.491 3.170 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000564858601 505541373 /nfs/dbraw/zinc/54/13/73/505541373.db2.gz VGILDZIXLVAGRF-PXNSSMCTSA-N 0 3 361.445 3.446 20 30 FGEDHN COc1cc(CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000564869123 505544563 /nfs/dbraw/zinc/54/45/63/505544563.db2.gz OSHJUDQRYKCFOG-KRWDZBQOSA-N 0 3 364.367 3.279 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)CC1 ZINC000558984373 505545812 /nfs/dbraw/zinc/54/58/12/505545812.db2.gz UJJBIFHDYPDGJG-UHFFFAOYSA-N 0 3 371.504 3.362 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccc2ncsc2c1 ZINC000564875942 505546650 /nfs/dbraw/zinc/54/66/50/505546650.db2.gz ZJJPRPWCYAIDOI-WMLDXEAASA-N 0 3 367.474 3.453 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000599260590 506387805 /nfs/dbraw/zinc/38/78/05/506387805.db2.gz CDOIWNRNOFTJBO-MSOLQXFVSA-N 0 3 372.490 3.041 20 30 FGEDHN COc1ccc([C@H](NC[C@H](O)COc2ccccc2C#N)C(C)C)cc1 ZINC000599348828 506422846 /nfs/dbraw/zinc/42/28/46/506422846.db2.gz MWLZMWZXZLKGDV-GHTZIAJQSA-N 0 3 354.450 3.293 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)NCC3(C#N)CCCC3)c2)CC1 ZINC000593182500 506447263 /nfs/dbraw/zinc/44/72/63/506447263.db2.gz QQIFNHKFAUGVTE-UHFFFAOYSA-N 0 3 355.486 3.034 20 30 FGEDHN CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H]1CCN(C)C1 ZINC000596684593 506535384 /nfs/dbraw/zinc/53/53/84/506535384.db2.gz VRGXLKSRRUPDKU-QGZVFWFLSA-N 0 3 365.437 3.303 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000583021278 506545614 /nfs/dbraw/zinc/54/56/14/506545614.db2.gz OHVLBZNZGAYZRU-UIBIWLFHSA-N 0 3 363.527 3.021 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000596728455 506564472 /nfs/dbraw/zinc/56/44/72/506564472.db2.gz YOQNMEOTLYLNEZ-LJQANCHMSA-N 0 3 366.440 3.478 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000596728454 506565093 /nfs/dbraw/zinc/56/50/93/506565093.db2.gz YOQNMEOTLYLNEZ-IBGZPJMESA-N 0 3 366.440 3.478 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1OCCc2ccccc21)C(C)C ZINC000603589061 506567324 /nfs/dbraw/zinc/56/73/24/506567324.db2.gz OXMCTQRUQHLMMA-NHCUHLMSSA-N 0 3 371.525 3.298 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593390560 506594363 /nfs/dbraw/zinc/59/43/63/506594363.db2.gz LKFROLRXRHHEEP-HRAATJIYSA-N 0 3 360.461 3.104 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC000603840322 506629818 /nfs/dbraw/zinc/62/98/18/506629818.db2.gz FUWWSNRGPCIIQL-OAQYLSRUSA-N 0 3 368.452 3.392 20 30 FGEDHN CN(C(=O)NCC1(C#N)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000596861053 506642413 /nfs/dbraw/zinc/64/24/13/506642413.db2.gz CHNRSPTWTHUIKA-LJQANCHMSA-N 0 3 354.498 3.376 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000596895410 506661749 /nfs/dbraw/zinc/66/17/49/506661749.db2.gz MQCXPSYERQGOEE-CJNGLKHVSA-N 0 3 355.388 3.402 20 30 FGEDHN Cc1csc([C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000596972556 506704547 /nfs/dbraw/zinc/70/45/47/506704547.db2.gz ADQWYMHUHWPFKF-HNNXBMFYSA-N 0 3 356.495 3.017 20 30 FGEDHN COCc1csc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000596982860 506712510 /nfs/dbraw/zinc/71/25/10/506712510.db2.gz LTNYOEXVFBQFSV-UHFFFAOYSA-N 0 3 355.507 3.474 20 30 FGEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000590194687 506761674 /nfs/dbraw/zinc/76/16/74/506761674.db2.gz FYTDWKIXYUZQSB-NSHDSACASA-N 0 3 356.239 3.001 20 30 FGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC1(C#N)CC1 ZINC000590309147 506789203 /nfs/dbraw/zinc/78/92/03/506789203.db2.gz ZOKQZHNHUGHWTM-SFHVURJKSA-N 0 3 363.465 3.271 20 30 FGEDHN Cc1cc(NC(=O)CC2(C#N)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000590309667 506791246 /nfs/dbraw/zinc/79/12/46/506791246.db2.gz ZODDRPBERNQIGK-GOSISDBHSA-N 0 3 363.465 3.271 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609194933 506810526 /nfs/dbraw/zinc/81/05/26/506810526.db2.gz RUZWEMSCQLYMAD-GOSISDBHSA-N 0 3 372.415 3.456 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000609204485 506813190 /nfs/dbraw/zinc/81/31/90/506813190.db2.gz RBOMBRXSPPTKOT-QUCCMNQESA-N 0 3 354.425 3.121 20 30 FGEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000590444338 506823940 /nfs/dbraw/zinc/82/39/40/506823940.db2.gz KTGAWPAQMQMFTG-AZUAARDMSA-N 0 3 361.445 3.435 20 30 FGEDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000590444759 506824600 /nfs/dbraw/zinc/82/46/00/506824600.db2.gz KPJYGHJZIVNFCR-WMZOPIPTSA-N 0 3 363.486 3.486 20 30 FGEDHN Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000583527532 506827887 /nfs/dbraw/zinc/82/78/87/506827887.db2.gz IBZRPQWOFOLVLE-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN CN(C)CCOc1cc(-c2noc(/C=C\c3ccccc3C#N)n2)ccn1 ZINC000612962519 506840004 /nfs/dbraw/zinc/84/00/04/506840004.db2.gz ZBBJCLKIVCJZLV-FPLPWBNLSA-N 0 3 361.405 3.114 20 30 FGEDHN CN1CCC[C@@]2(CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)C1 ZINC000590506172 506842585 /nfs/dbraw/zinc/84/25/85/506842585.db2.gz MQZASUSZTDMMCN-QGZVFWFLSA-N 0 3 352.265 3.423 20 30 FGEDHN Cc1nc(C)c([C@H](C)N(C)C[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000609316972 506849336 /nfs/dbraw/zinc/84/93/36/506849336.db2.gz GUSNRSPRMNNJSI-WMLDXEAASA-N 0 3 359.495 3.259 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3ccccc3F)C2)cc1 ZINC000609338452 506858680 /nfs/dbraw/zinc/85/86/80/506858680.db2.gz IIDLSVNMZQQSKE-ROUUACIJSA-N 0 3 354.425 3.121 20 30 FGEDHN CC[C@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)[C@H]1CCCCO1 ZINC000594040711 506900672 /nfs/dbraw/zinc/90/06/72/506900672.db2.gz AZDMHZJCBAXUJJ-AZUAARDMSA-N 0 3 357.498 3.487 20 30 FGEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1Cl ZINC000609595880 506938218 /nfs/dbraw/zinc/93/82/18/506938218.db2.gz LMOYFLZWDHWMOU-APWZRJJASA-N 0 3 368.868 3.328 20 30 FGEDHN N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCN(C4CC4)C3)c2)cc1 ZINC000609660706 506964947 /nfs/dbraw/zinc/96/49/47/506964947.db2.gz MMCVPTNHWISFMY-IBGZPJMESA-N 0 3 361.445 3.104 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000590801809 506965385 /nfs/dbraw/zinc/96/53/85/506965385.db2.gz RXMILHQRNFIFSB-IHPCNDPISA-N 0 3 354.498 3.280 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1C#N ZINC000590845961 506996644 /nfs/dbraw/zinc/99/66/44/506996644.db2.gz DPPBSLAXNLJLKW-QGZVFWFLSA-N 0 3 356.470 3.341 20 30 FGEDHN Cc1ccccc1CN1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000613268349 507001305 /nfs/dbraw/zinc/00/13/05/507001305.db2.gz STLMJDCZGBZRAW-UHFFFAOYSA-N 0 3 350.422 3.487 20 30 FGEDHN N#Cc1ccc(OCc2ccc(C(=O)NCC34CCCN3CCC4)o2)cc1 ZINC000597587430 507021335 /nfs/dbraw/zinc/02/13/35/507021335.db2.gz TZWKAONKIPNELK-UHFFFAOYSA-N 0 3 365.433 3.088 20 30 FGEDHN C=CCN(CC=C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000609849883 507023726 /nfs/dbraw/zinc/02/37/26/507023726.db2.gz PRTUAGRUCBSIPD-GOSISDBHSA-N 0 3 355.442 3.070 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230352 507025766 /nfs/dbraw/zinc/02/57/66/507025766.db2.gz HVQKJFBXXKOBHS-JTSKRJEESA-N 0 3 374.488 3.494 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1(C#N)CCOCC1 ZINC000597626116 507036809 /nfs/dbraw/zinc/03/68/09/507036809.db2.gz NMWMTVZYUPCTIF-LJQANCHMSA-N 0 3 369.509 3.114 20 30 FGEDHN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(C)C#N)CC1 ZINC000609921281 507050605 /nfs/dbraw/zinc/05/06/05/507050605.db2.gz GETGVLLATSZVAH-CJNGLKHVSA-N 0 3 364.287 3.204 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594283783 507061160 /nfs/dbraw/zinc/06/11/60/507061160.db2.gz SYVFBXNCVAYKHI-RBUKOAKNSA-N 0 3 372.469 3.309 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594283781 507061232 /nfs/dbraw/zinc/06/12/32/507061232.db2.gz SYVFBXNCVAYKHI-MOPGFXCFSA-N 0 3 372.469 3.309 20 30 FGEDHN COc1cccc(Oc2ccc(CNC[C@H](O)CC3(C#N)CC3)cn2)c1 ZINC000600715745 507079071 /nfs/dbraw/zinc/07/90/71/507079071.db2.gz IAQKOWFJOJLUHK-MRXNPFEDSA-N 0 3 353.422 3.027 20 30 FGEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000610134165 507112033 /nfs/dbraw/zinc/11/20/33/507112033.db2.gz RQXVYLXIEZUZLT-RBUKOAKNSA-N 0 3 357.498 3.090 20 30 FGEDHN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594430141 507128798 /nfs/dbraw/zinc/12/87/98/507128798.db2.gz ZEOOEYTUKSUUKM-SFHVURJKSA-N 0 3 370.497 3.407 20 30 FGEDHN CC(C)(c1nnc(NC(=O)[C@@H](N)CCCCC#N)s1)c1ccccc1 ZINC000594433186 507130678 /nfs/dbraw/zinc/13/06/78/507130678.db2.gz CYHQWYYNCKXATG-AWEZNQCLSA-N 0 3 357.483 3.214 20 30 FGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000594505814 507159463 /nfs/dbraw/zinc/15/94/63/507159463.db2.gz YXIFUWRYTUWNPV-HNNXBMFYSA-N 0 3 353.388 3.131 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCCNC(=O)Cc2cccc(F)c2)cc1 ZINC000594503516 507159702 /nfs/dbraw/zinc/15/97/02/507159702.db2.gz WUSBJGVBLMMXRG-UHFFFAOYSA-N 0 3 353.441 3.075 20 30 FGEDHN N#Cc1cc(F)c(N2CCN(c3ccncc3)CC2)cc1Br ZINC000594543749 507178063 /nfs/dbraw/zinc/17/80/63/507178063.db2.gz NCJSGSRJFPOSKE-UHFFFAOYSA-N 0 3 361.218 3.181 20 30 FGEDHN C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000594551606 507181449 /nfs/dbraw/zinc/18/14/49/507181449.db2.gz MFMPBIOMFFBFSR-DBVUQKKJSA-N 0 3 372.488 3.067 20 30 FGEDHN CN1CCC(n2cc(NCc3cccc(OCCCC#N)c3)cn2)CC1 ZINC000601148458 507277720 /nfs/dbraw/zinc/27/77/20/507277720.db2.gz CDVOLGQOMGDJGB-UHFFFAOYSA-N 0 3 353.470 3.444 20 30 FGEDHN Cn1cc(CNCc2cccc3c2CCOC3)c(-c2ccc(C#N)cc2)n1 ZINC000601156428 507280155 /nfs/dbraw/zinc/28/01/55/507280155.db2.gz WKHWFFYCNJEASB-UHFFFAOYSA-N 0 3 358.445 3.321 20 30 FGEDHN N#CC1(c2ccc(CNCc3ccnc(OC4CCOCC4)c3)cc2)CC1 ZINC000594923992 507314911 /nfs/dbraw/zinc/31/49/11/507314911.db2.gz LDPVKHJWXDOUNP-UHFFFAOYSA-N 0 3 363.461 3.484 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000591622961 507316360 /nfs/dbraw/zinc/31/63/60/507316360.db2.gz BSOLOPNLUGIOCB-HUUCEWRRSA-N 0 3 350.260 3.134 20 30 FGEDHN COc1cc(OC)cc(OCCNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594930123 507319351 /nfs/dbraw/zinc/31/93/51/507319351.db2.gz BTRBWHGRWNKMJA-UHFFFAOYSA-N 0 3 352.434 3.428 20 30 FGEDHN N#CC1(c2ccc(CN[C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1 ZINC000594930636 507319662 /nfs/dbraw/zinc/31/96/62/507319662.db2.gz YEGLGKSGRUHBJR-VSKRKVRLSA-N 0 3 371.484 3.488 20 30 FGEDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594941337 507323302 /nfs/dbraw/zinc/32/33/02/507323302.db2.gz ZMEPVLUZEUTKGZ-VQTJNVASSA-N 0 3 350.466 3.468 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000598221862 507324890 /nfs/dbraw/zinc/32/48/90/507324890.db2.gz XSEXJNLGNZLYAW-GOSISDBHSA-N 0 3 357.523 3.315 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1ccccc1CC#N ZINC000601334676 507337786 /nfs/dbraw/zinc/33/77/86/507337786.db2.gz MFJJWNWCMSWABM-UHFFFAOYSA-N 0 3 371.506 3.025 20 30 FGEDHN CSC1c2cc(-c3noc(C4(C#N)CC5(CC5)C4)n3)ccc2NC1=O ZINC000601362917 507344658 /nfs/dbraw/zinc/34/46/58/507344658.db2.gz YBYWHNQCBZFQDE-CYBMUJFWSA-N 0 3 352.419 3.428 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000591749622 507347669 /nfs/dbraw/zinc/34/76/69/507347669.db2.gz CFQAERYZGIQNAX-HOCLYGCPSA-N 0 3 374.428 3.290 20 30 FGEDHN Cc1cc2ncn(C[C@H](O)CN[C@H]3CCc4cc(C#N)ccc43)c2cc1C ZINC000591763881 507352693 /nfs/dbraw/zinc/35/26/93/507352693.db2.gz PDYRVOXMCOIDMH-QUCCMNQESA-N 0 3 360.461 3.163 20 30 FGEDHN N#CCn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2ccccc21 ZINC000610831074 507407115 /nfs/dbraw/zinc/40/71/15/507407115.db2.gz PSOKTNSOSZCREP-UHFFFAOYSA-N 0 3 350.466 3.255 20 30 FGEDHN CC(C#N)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000598436848 507427117 /nfs/dbraw/zinc/42/71/17/507427117.db2.gz WZGYRVDUHZSJMF-MRVPVSSYSA-N 0 3 372.060 3.256 20 30 FGEDHN C[C@]1(NC[C@H](O)COc2ccc(CC#N)cc2)CCCc2ccccc21 ZINC000610988121 507469225 /nfs/dbraw/zinc/46/92/25/507469225.db2.gz YWTPDNLPSPOORL-UGKGYDQZSA-N 0 3 350.462 3.334 20 30 FGEDHN N#Cc1ccc(CCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000595365699 507472649 /nfs/dbraw/zinc/47/26/49/507472649.db2.gz CUPBHHUKLYSULY-UHFFFAOYSA-N 0 3 358.445 3.323 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000601856246 507490377 /nfs/dbraw/zinc/49/03/77/507490377.db2.gz ZYWYMYDHWAXDOI-MOPGFXCFSA-N 0 3 351.450 3.096 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000598597331 507513061 /nfs/dbraw/zinc/51/30/61/507513061.db2.gz ZNJWVHWGTTUDON-RDJZCZTQSA-N 0 3 372.444 3.356 20 30 FGEDHN C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000611112899 507520464 /nfs/dbraw/zinc/52/04/64/507520464.db2.gz YEPCVBCOMJXMRQ-IBGZPJMESA-N 0 3 356.422 3.195 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC3(C[C@H]2C)CCOCC3)c1C ZINC000592181913 507526449 /nfs/dbraw/zinc/52/64/49/507526449.db2.gz JGNWCKCCBVKRCU-GOSISDBHSA-N 0 3 369.509 3.441 20 30 FGEDHN CC1(C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000611153145 507535763 /nfs/dbraw/zinc/53/57/63/507535763.db2.gz MDOTVNRLVDOJEI-LJQANCHMSA-N 0 3 350.462 3.286 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595533505 507546443 /nfs/dbraw/zinc/54/64/43/507546443.db2.gz AMBGSTLGSRQGOK-YZGWKJHDSA-N 0 3 354.498 3.232 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Nc1cccc(C#N)n1)c1cccc(OC)c1 ZINC000592272459 507582398 /nfs/dbraw/zinc/58/23/98/507582398.db2.gz FMTORDYHXNFDBJ-GOSISDBHSA-N 0 3 367.453 3.166 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F)CCC2 ZINC000598799811 507607092 /nfs/dbraw/zinc/60/70/92/507607092.db2.gz KDLMWMSNNVXXSR-BXKDBHETSA-N 0 3 374.384 3.031 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccccc1Br ZINC000611302579 507613132 /nfs/dbraw/zinc/61/31/32/507613132.db2.gz JXOAKKNREKVSNL-MRXNPFEDSA-N 0 3 364.287 3.348 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1=CCCOC1 ZINC000595754598 507667811 /nfs/dbraw/zinc/66/78/11/507667811.db2.gz YRROHAZGVBNDJG-UHFFFAOYSA-N 0 3 373.522 3.496 20 30 FGEDHN COC(=O)c1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1F ZINC000595763753 507674456 /nfs/dbraw/zinc/67/44/56/507674456.db2.gz CEOYSLGFLWFMTH-UHFFFAOYSA-N 0 3 368.408 3.279 20 30 FGEDHN CS[C@H]1CN(c2c(C#N)cnc3c(F)ccc(F)c32)C[C@@H]1N1CCCC1 ZINC000614977700 507712039 /nfs/dbraw/zinc/71/20/39/507712039.db2.gz CRZPGMGZEVRQBH-HOTGVXAUSA-N 0 3 374.460 3.401 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000602509151 507731324 /nfs/dbraw/zinc/73/13/24/507731324.db2.gz CBCIIMJGSWOUTN-CYBMUJFWSA-N 0 3 350.846 3.300 20 30 FGEDHN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000112222376 700556649 /nfs/dbraw/zinc/55/66/49/700556649.db2.gz JYOWYLRKDGAYFU-JKSUJKDBSA-N 0 3 355.463 3.155 20 30 FGEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000120269712 700651883 /nfs/dbraw/zinc/65/18/83/700651883.db2.gz PSALWBWOBAAMSH-YMTOWFKASA-N 0 3 355.221 3.456 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCSc1ccc(Br)cc1 ZINC000121370485 700670827 /nfs/dbraw/zinc/67/08/27/700670827.db2.gz YAKDAVLJWPEXQO-ZDUSSCGKSA-N 0 3 369.284 3.165 20 30 FGEDHN N#CC(C(=O)Cc1ccoc1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000123590403 700707297 /nfs/dbraw/zinc/70/72/97/700707297.db2.gz FYVISMDJLJENTQ-ZDUSSCGKSA-N 0 3 350.346 3.484 20 30 FGEDHN Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125134687 700730850 /nfs/dbraw/zinc/73/08/50/700730850.db2.gz LBGHJSZJRGWQSN-TZMCWYRMSA-N 0 3 357.797 3.158 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSc1ccc(C)cc1 ZINC000129845108 700792667 /nfs/dbraw/zinc/79/26/67/700792667.db2.gz ADNAHDPHZGWODF-HNNXBMFYSA-N 0 3 354.431 3.443 20 30 FGEDHN N#CC(C(=O)CSc1ccncc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130127277 700796627 /nfs/dbraw/zinc/79/66/27/700796627.db2.gz PMHSLSCTNGQRDT-LBPRGKRZSA-N 0 3 363.801 3.314 20 30 FGEDHN COCCN1[C@H](C)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000130149144 700796948 /nfs/dbraw/zinc/79/69/48/700796948.db2.gz FXZQDEBGNJHVMK-IYBDPMFKSA-N 0 3 354.416 3.098 20 30 FGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 ZINC000133402648 700837734 /nfs/dbraw/zinc/83/77/34/700837734.db2.gz OBZRLSSAIXULNM-CYBMUJFWSA-N 0 3 372.837 3.117 20 30 FGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCSC(C)(C)C)cc1 ZINC000155174516 705066544 /nfs/dbraw/zinc/06/65/44/705066544.db2.gz KIQZGDJOOSKXCF-MRXNPFEDSA-N 0 3 362.495 3.332 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172086478 705407626 /nfs/dbraw/zinc/40/76/26/705407626.db2.gz NJGDTBJIJHHCQY-PUHVVEEASA-N 0 3 353.205 3.208 20 30 FGEDHN C#CCN1CCC(C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000173991316 705481598 /nfs/dbraw/zinc/48/15/98/705481598.db2.gz QAMZEPPSABHOSB-UHFFFAOYSA-N 0 3 353.293 3.387 20 30 FGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(N3CCNC3=O)cc2)n1 ZINC000177744485 705637728 /nfs/dbraw/zinc/63/77/28/705637728.db2.gz FYGOZZJFUNGHRM-AWEZNQCLSA-N 0 3 354.435 3.286 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000193379501 712889234 /nfs/dbraw/zinc/88/92/34/712889234.db2.gz SJIULJKHYPPCMR-GFCCVEGCSA-N 0 3 357.237 3.387 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCn1cc(Cl)cn1 ZINC000641432974 717900368 /nfs/dbraw/zinc/90/03/68/717900368.db2.gz JSZPENGFWZXYGU-UHFFFAOYSA-N 0 3 366.922 3.092 20 30 FGEDHN C[C@@H]1CC[C@H](CCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)O1 ZINC000246677143 713628679 /nfs/dbraw/zinc/62/86/79/713628679.db2.gz ZEIRVYWBRLIAJR-RTXFEEFZSA-N 0 3 352.793 3.474 20 30 FGEDHN N#Cc1cc(Br)cnc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309900419 713797200 /nfs/dbraw/zinc/79/72/00/713797200.db2.gz OTZZYGURBXFGDQ-INIZCTEOSA-N 0 3 357.255 3.402 20 30 FGEDHN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329959191 713833312 /nfs/dbraw/zinc/83/33/12/713833312.db2.gz QKSNVLFXOLWFDA-HZPDHXFCSA-N 0 3 367.559 3.298 20 30 FGEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(SCC#N)c2)C1 ZINC000374299112 713911911 /nfs/dbraw/zinc/91/19/11/713911911.db2.gz XEWKPDKEWBMTOT-RBUKOAKNSA-N 0 3 351.475 3.130 20 30 FGEDHN COC(=O)[C@H](C)Oc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619847290 714874988 /nfs/dbraw/zinc/87/49/88/714874988.db2.gz OIOPTNMSLUQHTD-ZDUSSCGKSA-N 0 3 358.825 3.442 20 30 FGEDHN C[C@H](NC(=O)C(C#N)C(=O)COC(F)F)c1ccc(Cl)cc1Cl ZINC000802800858 724408049 /nfs/dbraw/zinc/40/80/49/724408049.db2.gz VXVOYEVRRGLAIN-XVKPBYJWSA-N 0 3 365.163 3.119 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780310286 724457304 /nfs/dbraw/zinc/45/73/04/724457304.db2.gz XEWAQASXDLJOOE-ABHRYQDASA-N 0 3 353.205 3.066 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000640930980 717834502 /nfs/dbraw/zinc/83/45/02/717834502.db2.gz XCNZDDJFZAFSCN-BBRMVZONSA-N 0 3 361.515 3.161 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(CC2)C(F)(F)C3(F)F)CC1 ZINC000650851993 718735187 /nfs/dbraw/zinc/73/51/87/718735187.db2.gz LZUVMACXNLGSMX-UHFFFAOYSA-N 0 3 363.399 3.103 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000654320151 719186612 /nfs/dbraw/zinc/18/66/12/719186612.db2.gz SCQNGKKBRXNDGP-WBVHZDCISA-N 0 3 364.873 3.343 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C[C@H](C)O)C2CC2)cc1OC ZINC000656281078 719387923 /nfs/dbraw/zinc/38/79/23/719387923.db2.gz RGWGNBPDFHIYNR-LBPRGKRZSA-N 0 3 370.287 3.368 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000781871763 724604998 /nfs/dbraw/zinc/60/49/98/724604998.db2.gz GCNKDLDZAVFHOZ-QGZVFWFLSA-N 0 3 356.363 3.065 20 30 FGEDHN C=CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@@H](C)COC ZINC000664969792 720715580 /nfs/dbraw/zinc/71/55/80/720715580.db2.gz IXCVQXPZCLTMRW-YJBOKZPZSA-N 0 3 365.543 3.244 20 30 FGEDHN C=CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@@H](C)COC ZINC000664969790 720715664 /nfs/dbraw/zinc/71/56/64/720715664.db2.gz IXCVQXPZCLTMRW-MAUKXSAKSA-N 0 3 365.543 3.244 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CCC1=O ZINC000783352943 724748682 /nfs/dbraw/zinc/74/86/82/724748682.db2.gz NEORULRVVUIECK-SCVCMEIPSA-N 0 3 350.777 3.132 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCS2)cc1Cl ZINC000783356639 724748924 /nfs/dbraw/zinc/74/89/24/724748924.db2.gz RHOGFDHSXOAGHR-RISCZKNCSA-N 0 3 352.843 3.282 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)C(=O)c1cccs1 ZINC000730417840 722468310 /nfs/dbraw/zinc/46/83/10/722468310.db2.gz UFAPOGXHFZHXIR-LLVKDONJSA-N 0 3 373.434 3.445 20 30 FGEDHN C[C@H](NC(=O)C1CCCC1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422280 722468327 /nfs/dbraw/zinc/46/83/27/722468327.db2.gz VMMMHMXCUZXSFZ-GWCFXTLKSA-N 0 3 359.426 3.307 20 30 FGEDHN CC(C)OC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000730571622 722469349 /nfs/dbraw/zinc/46/93/49/722469349.db2.gz XPAFRQYOXUQGAZ-HNNXBMFYSA-N 0 3 357.479 3.362 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Br)cc2F)CC1 ZINC000732462114 722485095 /nfs/dbraw/zinc/48/50/95/722485095.db2.gz HTHDVCXANUAINT-UHFFFAOYSA-N 0 3 370.266 3.038 20 30 FGEDHN CC(C)C[C@@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733796360 722500844 /nfs/dbraw/zinc/50/08/44/722500844.db2.gz FWCNNCWHZXFXBX-CABCVRRESA-N 0 3 357.479 3.219 20 30 FGEDHN CCOC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000733796648 722500907 /nfs/dbraw/zinc/50/09/07/722500907.db2.gz JNMJFAUHUVBHBG-LSDHHAIUSA-N 0 3 357.479 3.221 20 30 FGEDHN C=C(C)CN(CC)C(=O)CONC(=N)COc1ccc(Cl)cc1Cl ZINC000747823481 722662080 /nfs/dbraw/zinc/66/20/80/722662080.db2.gz CTJJXSXBEUXWQK-UHFFFAOYSA-N 0 3 374.268 3.295 20 30 FGEDHN N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000752477263 722858798 /nfs/dbraw/zinc/85/87/98/722858798.db2.gz MWHMLFYNTIGCRT-JTQLQIEISA-N 0 3 355.737 3.148 20 30 FGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000752477263 722858800 /nfs/dbraw/zinc/85/88/00/722858800.db2.gz MWHMLFYNTIGCRT-JTQLQIEISA-N 0 3 355.737 3.148 20 30 FGEDHN C[C@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000755199074 722951239 /nfs/dbraw/zinc/95/12/39/722951239.db2.gz JEUYWEJEHKXLRI-DZGCQCFKSA-N 0 3 352.463 3.051 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C(C)=O)cc1Cl ZINC000755747961 722956469 /nfs/dbraw/zinc/95/64/69/722956469.db2.gz GAJIMSJUGVVKAD-CYBMUJFWSA-N 0 3 364.829 3.391 20 30 FGEDHN C#CCNC(=S)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000758210702 722986254 /nfs/dbraw/zinc/98/62/54/722986254.db2.gz UIHWPHIGHSTIGQ-OAHLLOKOSA-N 0 3 357.445 3.186 20 30 FGEDHN N#CC(C(=O)CCCc1cccc(Br)c1)C(=O)N1CCCC1 ZINC000761024112 723114114 /nfs/dbraw/zinc/11/41/14/723114114.db2.gz DZKSGWDDRZJFNQ-OAHLLOKOSA-N 0 3 363.255 3.103 20 30 FGEDHN C#CCNC(=O)CCN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000790676108 723167059 /nfs/dbraw/zinc/16/70/59/723167059.db2.gz JHARPBCIDOBVSQ-IBGZPJMESA-N 0 3 371.278 3.268 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOCC(F)(F)C(F)F)nc21 ZINC000791814428 723283580 /nfs/dbraw/zinc/28/35/80/723283580.db2.gz RAUUJQZULRHJEE-SNVBAGLBSA-N 0 3 357.307 3.355 20 30 FGEDHN CCCCCCCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764461412 723415176 /nfs/dbraw/zinc/41/51/76/723415176.db2.gz HAADLSREFFIPDP-MOPGFXCFSA-N 0 3 352.567 3.014 20 30 FGEDHN FC(F)C1CC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000766009191 723551125 /nfs/dbraw/zinc/55/11/25/723551125.db2.gz XVPPKNLXGZJKQB-UHFFFAOYSA-N 0 3 366.481 3.146 20 30 FGEDHN CON(C)C(=O)[C@H](CCSC)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000795806453 723610257 /nfs/dbraw/zinc/61/02/57/723610257.db2.gz WKYOSQAPVSAIMQ-ROUUACIJSA-N 0 3 361.511 3.057 20 30 FGEDHN CC1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C#N ZINC000769891338 723699291 /nfs/dbraw/zinc/69/92/91/723699291.db2.gz BWLCSJOYGWRIFC-CXAGYDPISA-N 0 3 352.463 3.487 20 30 FGEDHN C[C@H](C#N)OCCN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000801914134 724344774 /nfs/dbraw/zinc/34/47/74/724344774.db2.gz SFXYGQMRJLHCMT-WBVHZDCISA-N 0 3 351.491 3.027 20 30 FGEDHN C[C@@H](C#N)OCCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000801931612 724347145 /nfs/dbraw/zinc/34/71/45/724347145.db2.gz JRACQBCCQZJCLQ-DZGCQCFKSA-N 0 3 360.845 3.498 20 30 FGEDHN COc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnc1Br ZINC000788350769 725059538 /nfs/dbraw/zinc/05/95/38/725059538.db2.gz ZZZHGMIIALSXJH-JTQLQIEISA-N 0 3 371.194 3.219 20 30 FGEDHN C#C[C@@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(C)(C)C ZINC000808299430 725192645 /nfs/dbraw/zinc/19/26/45/725192645.db2.gz LRXBOWHHXKOBLB-YMAMQOFZSA-N 0 3 359.436 3.139 20 30 FGEDHN C=CCCCCCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000808769920 725216939 /nfs/dbraw/zinc/21/69/39/725216939.db2.gz FBSBHAKLHJIUFY-SFHVURJKSA-N 0 3 351.535 3.360 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2cccc(Cl)c2F)c1 ZINC000810529985 725312776 /nfs/dbraw/zinc/31/27/76/725312776.db2.gz SJHYNQABZTWZPT-AWEZNQCLSA-N 0 3 360.772 3.378 20 30 FGEDHN C#C[C@H](C)NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000812015990 725387391 /nfs/dbraw/zinc/38/73/91/725387391.db2.gz YBZKDNBRIJBRHI-XJKSGUPXSA-N 0 3 355.404 3.409 20 30 FGEDHN N#CC(C(=O)Cc1cscc1Br)C(=O)Nc1ccccc1 ZINC000815907928 727106369 /nfs/dbraw/zinc/10/63/69/727106369.db2.gz OIRRRPLMFKLPRO-LBPRGKRZSA-N 0 3 363.236 3.401 20 30 FGEDHN C#CCN(C)CCCNC(=O)CCCOc1cccc(Cl)c1Cl ZINC000818588794 727315441 /nfs/dbraw/zinc/31/54/41/727315441.db2.gz GVGMMWZQWNSYAW-UHFFFAOYSA-N 0 3 357.281 3.224 20 30 FGEDHN C#CCN(C)CCCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000818606567 727316371 /nfs/dbraw/zinc/31/63/71/727316371.db2.gz WYGYOCVJAMZIFQ-UHFFFAOYSA-N 0 3 361.898 3.077 20 30 FGEDHN C#CCNC(=O)CCNCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC000819123615 727350071 /nfs/dbraw/zinc/35/00/71/727350071.db2.gz YPVQYONNTKTFHP-UHFFFAOYSA-N 0 3 356.388 3.112 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)C#Cc1cccs1)c1cccc(OC)c1 ZINC000824237835 729326130 /nfs/dbraw/zinc/32/61/30/729326130.db2.gz WRWDORDWMULTLE-IBGZPJMESA-N 0 3 356.491 3.308 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC1CCC(CS(C)(=O)=O)CC1 ZINC000824533543 729345944 /nfs/dbraw/zinc/34/59/44/729345944.db2.gz HIFAUGHDGZTBOO-UHFFFAOYSA-N 0 3 369.914 3.045 20 30 FGEDHN O=C(C#Cc1cccs1)N1CCCN(CCCc2ccccc2)CC1 ZINC000825588890 729388669 /nfs/dbraw/zinc/38/86/69/729388669.db2.gz PMZZXEXOWNUKPP-UHFFFAOYSA-N 0 3 352.503 3.267 20 30 FGEDHN COC[C@]1(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)CCOC1 ZINC000835067496 729855285 /nfs/dbraw/zinc/85/52/85/729855285.db2.gz HIGRUMBMSMHDLG-HNAYVOBHSA-N 0 3 356.447 3.348 20 30 FGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000835340730 729880142 /nfs/dbraw/zinc/88/01/42/729880142.db2.gz PHTHPSWJRCNPBR-BBRMVZONSA-N 0 3 353.249 3.328 20 30 FGEDHN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000835340605 729880171 /nfs/dbraw/zinc/88/01/71/729880171.db2.gz NPEUHCWYYJTMCV-BXKDBHETSA-N 0 3 362.298 3.268 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000836488920 729957493 /nfs/dbraw/zinc/95/74/93/729957493.db2.gz RELLWFBQWHPJJS-UHFFFAOYSA-N 0 3 361.536 3.477 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000836489369 729957550 /nfs/dbraw/zinc/95/75/50/729957550.db2.gz ZECXUUZBKZOUSV-AWEZNQCLSA-N 0 3 355.404 3.363 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000836759924 729968624 /nfs/dbraw/zinc/96/86/24/729968624.db2.gz GYXMOUWZYSVYBU-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2S(C)(=O)=O)c([O-])c1 ZINC000840712140 730164926 /nfs/dbraw/zinc/16/49/26/730164926.db2.gz WGJWLHVTWDHYMQ-DEDYPNTBSA-N 0 3 360.479 3.261 20 30 FGEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000841360421 730235174 /nfs/dbraw/zinc/23/51/74/730235174.db2.gz JJIHTHSQONDPTF-INIZCTEOSA-N 0 3 368.250 3.472 20 30 FGEDHN CN1C[C@H](C(=O)C(C#N)c2nc(C3CC3)cs2)c2ccccc2C1=O ZINC000842942631 730560552 /nfs/dbraw/zinc/56/05/52/730560552.db2.gz CEKWRSFRGDRDCA-GJZGRUSLSA-N 0 3 351.431 3.066 20 30 FGEDHN CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@H](O)c1cccc(C#N)c1 ZINC000844368481 730708623 /nfs/dbraw/zinc/70/86/23/730708623.db2.gz VPVJOAIMVRAMJD-KRWDZBQOSA-N 0 3 358.825 3.148 20 30 FGEDHN OCc1ccc(Br)c(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848412199 731161755 /nfs/dbraw/zinc/16/17/55/731161755.db2.gz KZPLWCNSERIQSP-MRXNPFEDSA-N 0 3 352.276 3.358 20 30 FGEDHN Cc1ccn([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000850760058 731385757 /nfs/dbraw/zinc/38/57/57/731385757.db2.gz VDRJYWMCNUGDSC-YPMHNXCESA-N 0 3 362.792 3.283 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c3ncccc23)CC1 ZINC000855861083 731963003 /nfs/dbraw/zinc/96/30/03/731963003.db2.gz OVMFBINOGWWXBM-UHFFFAOYSA-N 0 3 372.266 3.281 20 30 FGEDHN C#CC[C@H](COC)NCc1cc(Br)c(OCCC)c(OC)c1 ZINC000858335706 732204718 /nfs/dbraw/zinc/20/47/18/732204718.db2.gz DJDVMIKVXYVFFS-CQSZACIVSA-N 0 3 370.287 3.374 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000861838018 732739198 /nfs/dbraw/zinc/73/91/98/732739198.db2.gz OEBDIXAGEYCBCQ-INIZCTEOSA-N 0 3 351.288 3.014 20 30 FGEDHN C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2CCCN(Cc3cccs3)C2)C1=O ZINC000865301423 733176591 /nfs/dbraw/zinc/17/65/91/733176591.db2.gz LQTGQCHHRBETRX-DZGCQCFKSA-N 0 3 367.902 3.023 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)O1 ZINC000870143632 733816461 /nfs/dbraw/zinc/81/64/61/733816461.db2.gz WHTIVUPZJOSCKN-QCZKYFFMSA-N 0 3 355.221 3.454 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000876565037 736114949 /nfs/dbraw/zinc/11/49/49/736114949.db2.gz FFTSJNAXTQSGDH-JOYOIKCWSA-N 0 3 361.667 3.105 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000876602903 736119402 /nfs/dbraw/zinc/11/94/02/736119402.db2.gz XCXOAMVSBSGPGM-HIFRSBDPSA-N 0 3 354.878 3.377 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000876602902 736119489 /nfs/dbraw/zinc/11/94/89/736119489.db2.gz XCXOAMVSBSGPGM-DZGCQCFKSA-N 0 3 354.878 3.377 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000876649474 736126658 /nfs/dbraw/zinc/12/66/58/736126658.db2.gz XCPDTOFIVLKYLT-GFCCVEGCSA-N 0 3 350.875 3.272 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000876662944 736128321 /nfs/dbraw/zinc/12/83/21/736128321.db2.gz UFFNVTDUZKFGEO-ZDUSSCGKSA-N 0 3 357.679 3.067 20 30 FGEDHN N#Cc1ccc(CN(C[C@@H](O)c2cc(Br)no2)C2CC2)cc1 ZINC000878001752 736754903 /nfs/dbraw/zinc/75/49/03/736754903.db2.gz ASZRSNWAFRJVOB-CQSZACIVSA-N 0 3 362.227 3.007 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1cc(Br)no1 ZINC000878727821 736911855 /nfs/dbraw/zinc/91/18/55/736911855.db2.gz DGBPUUMYRYRHPP-MFKMUULPSA-N 0 3 350.216 3.035 20 30 FGEDHN N#CCc1cccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000881156428 737296077 /nfs/dbraw/zinc/29/60/77/737296077.db2.gz WDWMFTOZSOLIGU-HNNXBMFYSA-N 0 3 355.467 3.168 20 30 FGEDHN CC(C)COc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Cl ZINC000884075024 737630773 /nfs/dbraw/zinc/63/07/73/737630773.db2.gz KIRFMWDBOGAEPK-BIWSTMPVSA-N 0 3 361.873 3.453 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(-c3ccccc3)s1)C2 ZINC000884427856 737663524 /nfs/dbraw/zinc/66/35/24/737663524.db2.gz LCDXOIOGSVWKLY-LFDOHDQPSA-N 0 3 351.475 3.171 20 30 FGEDHN CC[C@H](CC#N)N[C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000893606101 742176550 /nfs/dbraw/zinc/17/65/50/742176550.db2.gz MLLAVKYQVUYVLC-CVEARBPZSA-N 0 3 351.491 3.217 20 30 FGEDHN C#CCC1(NCc2cc(OC)c(OC)cc2Br)CCOCC1 ZINC000886381618 739252248 /nfs/dbraw/zinc/25/22/48/739252248.db2.gz KMWYIRHTNNQCHK-UHFFFAOYSA-N 0 3 368.271 3.128 20 30 FGEDHN C#CCN(C(=O)c1ccc(Br)c(F)c1C)C1CCN(C)CC1 ZINC000886573779 739271293 /nfs/dbraw/zinc/27/12/93/739271293.db2.gz WCILYJFVKIMTIQ-UHFFFAOYSA-N 0 3 367.262 3.066 20 30 FGEDHN Cc1nsc(N(C)C(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000891434716 739902671 /nfs/dbraw/zinc/90/26/71/739902671.db2.gz VAPSBMRVISEEDT-INIZCTEOSA-N 0 3 354.479 3.198 20 30 FGEDHN C=C(C)[C@H](CC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)OCC ZINC000899047955 742860713 /nfs/dbraw/zinc/86/07/13/742860713.db2.gz GPQFPFIQMPQRMA-HNNXBMFYSA-N 0 3 350.850 3.021 20 30 FGEDHN N#CC(C(=O)COc1ccc(Cl)c2ccccc12)C(=O)N1CCCC1 ZINC000916871889 758148145 /nfs/dbraw/zinc/14/81/45/758148145.db2.gz WFXVGGCHABEXPC-HNNXBMFYSA-N 0 3 356.809 3.203 20 30 FGEDHN COc1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916904705 758152322 /nfs/dbraw/zinc/15/23/22/758152322.db2.gz CQIVXKMAAZKPAC-LBPRGKRZSA-N 0 3 358.781 3.075 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000916917339 758154004 /nfs/dbraw/zinc/15/40/04/758154004.db2.gz IVBCFTUQSIXRNG-GFCCVEGCSA-N 0 3 355.221 3.163 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000917091742 758176939 /nfs/dbraw/zinc/17/69/39/758176939.db2.gz BSMXPTUUPGRJQU-OAHLLOKOSA-N 0 3 363.399 3.103 20 30 FGEDHN C#CCN(C(=O)NCc1c(Cl)oc2ccccc21)C1CCN(C)CC1 ZINC000923409477 759113200 /nfs/dbraw/zinc/11/32/00/759113200.db2.gz AMRBZNAGXKKAGW-UHFFFAOYSA-N 0 3 359.857 3.325 20 30 FGEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000924569545 759355764 /nfs/dbraw/zinc/35/57/64/759355764.db2.gz JHTQEZITJCLPFR-MRXNPFEDSA-N 0 3 363.527 3.279 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)OC)cc2Cl)CC1 ZINC000932143253 761067329 /nfs/dbraw/zinc/06/73/29/761067329.db2.gz NPMPPJZPOFGHGQ-UHFFFAOYSA-N 0 3 365.861 3.289 20 30 FGEDHN CC(C)(C)OC(=O)NC1CCC2(CC1)CN(CCCCC#N)CCO2 ZINC000933824009 761481564 /nfs/dbraw/zinc/48/15/64/761481564.db2.gz BOTZESKXXFBWNU-UHFFFAOYSA-N 0 3 351.491 3.219 20 30 FGEDHN C=C(Br)CNC1CCC(N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000963697898 762778490 /nfs/dbraw/zinc/77/84/90/762778490.db2.gz WDNUREUTLHGQPL-ARAOSMHQSA-N 0 3 355.320 3.444 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(C)sc2C)C1 ZINC000971556700 762912599 /nfs/dbraw/zinc/91/25/99/762912599.db2.gz UKYCRLDGUNOPDR-OTWHNJEPSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000972513445 762967627 /nfs/dbraw/zinc/96/76/27/762967627.db2.gz KXGIJPFZNWJFCU-QYZOEREBSA-N 0 3 362.539 3.461 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(Cc1csc(C)c1)CC2 ZINC000992242402 764592701 /nfs/dbraw/zinc/59/27/01/764592701.db2.gz RKKSLSRJYDXLFM-RMJJICAUSA-N 0 3 360.523 3.261 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001000242020 765209161 /nfs/dbraw/zinc/20/91/61/765209161.db2.gz PXXQDDPZRVNNRT-MDZRGWNJSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001001933907 765307504 /nfs/dbraw/zinc/30/75/04/765307504.db2.gz LWGXFTQDKUHGEX-HOTGVXAUSA-N 0 3 362.436 3.138 20 30 FGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001004490747 765433872 /nfs/dbraw/zinc/43/38/72/765433872.db2.gz SZGIVBMJIASASS-NSHGMRRFSA-N 0 3 366.933 3.401 20 30 FGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001016791322 765822497 /nfs/dbraw/zinc/82/24/97/765822497.db2.gz MHMJOMILWFDSJI-IIAWOOMASA-N 0 3 362.926 3.499 20 30 FGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C2 ZINC001054154875 766998872 /nfs/dbraw/zinc/99/88/72/766998872.db2.gz XJTCDKCQERRASF-SOLBZPMBSA-N 0 3 356.432 3.303 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001054211405 767003282 /nfs/dbraw/zinc/00/32/82/767003282.db2.gz OPAGGZIDGVPAJK-PWKMJRHKSA-N 0 3 352.906 3.035 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000591598217 507307492 /nfs/dbraw/zinc/30/74/92/507307492.db2.gz PKZNKTMMMMETTA-KKZNHRDASA-N 0 3 359.314 3.033 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCc4ccc(C#N)cc43)C2=O)cc1 ZINC000568144551 505626815 /nfs/dbraw/zinc/62/68/15/505626815.db2.gz PLCHAMOEGSUVDQ-RTWAWAEBSA-N 0 3 356.429 3.202 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1cccs1 ZINC000573899560 505647206 /nfs/dbraw/zinc/64/72/06/505647206.db2.gz SZPVHTTTZIKWRD-CXAGYDPISA-N 0 3 374.897 3.481 20 30 FGEDHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000579957404 505652892 /nfs/dbraw/zinc/65/28/92/505652892.db2.gz AUVTYHAQSPZVOM-CJNGLKHVSA-N 0 3 363.527 3.214 20 30 FGEDHN COc1cc(CN(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)ccc1C#N ZINC000573961095 505660606 /nfs/dbraw/zinc/66/06/06/505660606.db2.gz BJPPPFYDXLLYNR-HTAPYJJXSA-N 0 3 366.461 3.109 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000571157504 505667638 /nfs/dbraw/zinc/66/76/38/505667638.db2.gz CKYXOSABAOGOJG-VAMGGRTRSA-N 0 3 371.452 3.448 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000075938020 493796679 /nfs/dbraw/zinc/79/66/79/493796679.db2.gz DBICRHPCHTUHSQ-QGZVFWFLSA-N 0 3 360.889 3.100 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029178161 493823006 /nfs/dbraw/zinc/82/30/06/493823006.db2.gz CIZULFXZOYDXAB-LAUBAEHRSA-N 0 3 363.461 3.279 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000058397108 493849031 /nfs/dbraw/zinc/84/90/31/493849031.db2.gz FGAAHMJDGJYSRR-OAQYLSRUSA-N 0 3 363.461 3.275 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000068885046 493888370 /nfs/dbraw/zinc/88/83/70/493888370.db2.gz UBSQDAOJPHYYNG-ZWKOTPCHSA-N 0 3 354.498 3.376 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1 ZINC000050027901 493891620 /nfs/dbraw/zinc/89/16/20/493891620.db2.gz OZWJKCCTIYJKPQ-UHFFFAOYSA-N 0 3 364.474 3.347 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000081493738 493903944 /nfs/dbraw/zinc/90/39/44/493903944.db2.gz YWTXTCRWIGAHFF-IBGZPJMESA-N 0 3 359.514 3.212 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000076874595 493982245 /nfs/dbraw/zinc/98/22/45/493982245.db2.gz XFIHSLXMSOECDX-HXUWFJFHSA-N 0 3 363.461 3.015 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)CC1 ZINC000076994596 494005310 /nfs/dbraw/zinc/00/53/10/494005310.db2.gz UQGAOZXVHIHXAF-UHFFFAOYSA-N 0 3 372.513 3.295 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000063401890 494051663 /nfs/dbraw/zinc/05/16/63/494051663.db2.gz GXZNXRDOSCRJND-IAGOWNOFSA-N 0 3 374.485 3.413 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000063565879 494065167 /nfs/dbraw/zinc/06/51/67/494065167.db2.gz NIBCWTDHVGGGFC-CQSZACIVSA-N 0 3 351.233 3.395 20 30 FGEDHN N#CC(C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc2ccccc2[nH]1 ZINC000041494818 494165676 /nfs/dbraw/zinc/16/56/76/494165676.db2.gz GMBBWKDLVLEMRG-LLVKDONJSA-N 0 3 360.295 3.389 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(F)cc2CSC)CC1 ZINC000087116311 494173771 /nfs/dbraw/zinc/17/37/71/494173771.db2.gz PZZMHWCOGIKYNO-UHFFFAOYSA-N 0 3 351.491 3.138 20 30 FGEDHN N#Cc1ccc(OCCN2CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000577323687 505705432 /nfs/dbraw/zinc/70/54/32/505705432.db2.gz AAUDBMCIPMMFQB-UHFFFAOYSA-N 0 3 358.445 3.307 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCC#Cc1ccccc1)c1ccsc1 ZINC000042346252 494217786 /nfs/dbraw/zinc/21/77/86/494217786.db2.gz IXGSPGBFFYAFNA-LJQANCHMSA-N 0 3 355.507 3.482 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCC#Cc1ccccc1)c1ccsc1 ZINC000042346250 494217993 /nfs/dbraw/zinc/21/79/93/494217993.db2.gz IXGSPGBFFYAFNA-IBGZPJMESA-N 0 3 355.507 3.482 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000065939202 494259346 /nfs/dbraw/zinc/25/93/46/494259346.db2.gz XCLDKDMNTYSDHG-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000043836118 494323296 /nfs/dbraw/zinc/32/32/96/494323296.db2.gz VEJRGJYZCINKCN-UHFFFAOYSA-N 0 3 372.538 3.061 20 30 FGEDHN N#CCOc1cccc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000089595044 494328503 /nfs/dbraw/zinc/32/85/03/494328503.db2.gz RJLJTTBXNYQMAQ-GOSISDBHSA-N 0 3 369.490 3.146 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000577369408 505714692 /nfs/dbraw/zinc/71/46/92/505714692.db2.gz CAFGFPYSEYRAJF-TZIWHRDSSA-N 0 3 369.509 3.441 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000089813803 494371095 /nfs/dbraw/zinc/37/10/95/494371095.db2.gz DXLDJEGGFRKALU-UHFFFAOYSA-N 0 3 365.477 3.242 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)N(C)C)cc1 ZINC000073493910 494378204 /nfs/dbraw/zinc/37/82/04/494378204.db2.gz TZFABKKDPDRRLR-HXUWFJFHSA-N 0 3 368.456 3.362 20 30 FGEDHN C=CCOc1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1Cl ZINC000066971783 494449672 /nfs/dbraw/zinc/44/96/72/494449672.db2.gz QLXZJNGVCBGAOW-UHFFFAOYSA-N 0 3 373.884 3.426 20 30 FGEDHN CN(C)[C@@H](CNC(=O)c1cccc(SCC#N)c1)Cc1ccccc1 ZINC000079505843 494469031 /nfs/dbraw/zinc/46/90/31/494469031.db2.gz ISSPMRPZFLRGHS-GOSISDBHSA-N 0 3 353.491 3.205 20 30 FGEDHN N#CCCC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000571399508 505724711 /nfs/dbraw/zinc/72/47/11/505724711.db2.gz SZFASPQSTDKJGV-HXUWFJFHSA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1cccn2c1ncc(C(=O)C(C#N)c1nc(C(C)C)cs1)c2=O ZINC000091106376 494535574 /nfs/dbraw/zinc/53/55/74/494535574.db2.gz JMKRKFDWYUPSLY-LBPRGKRZSA-N 0 3 352.419 3.073 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000067480291 494549821 /nfs/dbraw/zinc/54/98/21/494549821.db2.gz DCHMPUILMFHTMZ-NRFANRHFSA-N 0 3 367.493 3.213 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023738115 494578723 /nfs/dbraw/zinc/57/87/23/494578723.db2.gz LKMUEUQDBIXMJC-UTKZUKDTSA-N 0 3 363.461 3.279 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000080070211 494585027 /nfs/dbraw/zinc/58/50/27/494585027.db2.gz NGDBIWFRIBFMKX-UTKZUKDTSA-N 0 3 362.477 3.411 20 30 FGEDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2ccccc2C#N)o1 ZINC000131380264 494599269 /nfs/dbraw/zinc/59/92/69/494599269.db2.gz ODECRVWBMSVIEW-GOSISDBHSA-N 0 3 353.422 3.463 20 30 FGEDHN COc1cc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000047010160 494615514 /nfs/dbraw/zinc/61/55/14/494615514.db2.gz HCYCKBJMCLMSNX-UHFFFAOYSA-N 0 3 365.477 3.008 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1ccc2ccccc21 ZINC000047011808 494617174 /nfs/dbraw/zinc/61/71/74/494617174.db2.gz YPZUKQFXGRENLY-UHFFFAOYSA-N 0 3 374.488 3.493 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074849766 494622040 /nfs/dbraw/zinc/62/20/40/494622040.db2.gz VXFGIWBOTYQFAM-OAQYLSRUSA-N 0 3 362.477 3.364 20 30 FGEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000126085365 494631861 /nfs/dbraw/zinc/63/18/61/494631861.db2.gz ACFDCGURPUZOEZ-CRAIPNDOSA-N 0 3 351.454 3.193 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000091630699 494633282 /nfs/dbraw/zinc/63/32/82/494633282.db2.gz UDEFHKRWUWFXOA-QGZVFWFLSA-N 0 3 351.454 3.133 20 30 FGEDHN C[C@H]1CN(C(=O)c2ccc(CNCc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000067979286 494718210 /nfs/dbraw/zinc/71/82/10/494718210.db2.gz AHECPJUEUVQGLU-IRXDYDNUSA-N 0 3 363.461 3.097 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc(OC)c1O ZINC000092706166 494719442 /nfs/dbraw/zinc/71/94/42/494719442.db2.gz YIGXKUDHTUMVSA-MRXNPFEDSA-N 0 3 360.498 3.114 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000091949289 494729010 /nfs/dbraw/zinc/72/90/10/494729010.db2.gz FWUOTPYSQSGKAZ-ZWKOTPCHSA-N 0 3 369.509 3.448 20 30 FGEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000025364763 494729593 /nfs/dbraw/zinc/72/95/93/494729593.db2.gz SNBQNXHUOSMCKU-QGZVFWFLSA-N 0 3 360.465 3.468 20 30 FGEDHN C[C@@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000580350632 505738271 /nfs/dbraw/zinc/73/82/71/505738271.db2.gz ANAORUGJCRVXDS-VGOFRKELSA-N 0 3 366.484 3.337 20 30 FGEDHN Cc1ccc(I)cc1C(=O)C(C#N)c1ccccn1 ZINC000121507540 494785273 /nfs/dbraw/zinc/78/52/73/494785273.db2.gz MSWHUKBSIRBGTJ-CYBMUJFWSA-N 0 3 362.170 3.485 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000025934111 494791267 /nfs/dbraw/zinc/79/12/67/494791267.db2.gz FJEAJQWGTJWKDN-UHFFFAOYSA-N 0 3 350.422 3.174 20 30 FGEDHN C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000047933189 494795861 /nfs/dbraw/zinc/79/58/61/494795861.db2.gz QNYDDXMHVNXOPJ-UZLBHIALSA-N 0 3 350.466 3.091 20 30 FGEDHN N#CCCCOc1cccc(CN2CCCC[C@H]2CN2CCCC2=O)c1 ZINC000093362773 494879299 /nfs/dbraw/zinc/87/92/99/494879299.db2.gz JKWVOLUDSMIBFW-IBGZPJMESA-N 0 3 355.482 3.346 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000110174958 494955052 /nfs/dbraw/zinc/95/50/52/494955052.db2.gz ZIFMBUQECNXZNF-NRFANRHFSA-N 0 3 365.477 3.331 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000127529341 494958030 /nfs/dbraw/zinc/95/80/30/494958030.db2.gz CUAODGBNHKPTES-JSGCOSHPSA-N 0 3 358.511 3.107 20 30 FGEDHN N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)nc1 ZINC000110289187 494965913 /nfs/dbraw/zinc/96/59/13/494965913.db2.gz NMRYKNCHDFAXOD-SFHVURJKSA-N 0 3 374.366 3.346 20 30 FGEDHN N#CCOc1ccc(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000110610746 494994278 /nfs/dbraw/zinc/99/42/78/494994278.db2.gz UYXUFRZTENGADE-SFHVURJKSA-N 0 3 369.490 3.146 20 30 FGEDHN N#CCSCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000110762286 495007611 /nfs/dbraw/zinc/00/76/11/495007611.db2.gz KRGJBEPZBRJLFD-UHFFFAOYSA-N 0 3 351.903 3.021 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000133469443 495017767 /nfs/dbraw/zinc/01/77/67/495017767.db2.gz SEJLLGNKVHRLPN-PMACEKPBSA-N 0 3 354.475 3.258 20 30 FGEDHN COc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000122819259 495036231 /nfs/dbraw/zinc/03/62/31/495036231.db2.gz DVIARAFRDTWLIA-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000118822877 495042337 /nfs/dbraw/zinc/04/23/37/495042337.db2.gz UMGLBLIKTGBIAU-LJQANCHMSA-N 0 3 362.477 3.287 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111234148 495051835 /nfs/dbraw/zinc/05/18/35/495051835.db2.gz MFUDSSUFJAPYRY-MRXNPFEDSA-N 0 3 352.482 3.331 20 30 FGEDHN C=CC1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000111256714 495055511 /nfs/dbraw/zinc/05/55/11/495055511.db2.gz OMODDOCGQWLFIT-IBGZPJMESA-N 0 3 370.493 3.409 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000123054878 495073570 /nfs/dbraw/zinc/07/35/70/495073570.db2.gz CJEUWADIHPBFSW-KRWDZBQOSA-N 0 3 363.461 3.372 20 30 FGEDHN CC(=O)Nc1cccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000101543922 495073765 /nfs/dbraw/zinc/07/37/65/495073765.db2.gz CWBDIGJNAHKUEI-UHFFFAOYSA-N 0 3 362.477 3.225 20 30 FGEDHN N#Cc1cccc(OCc2ccoc2C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000102325755 495129488 /nfs/dbraw/zinc/12/94/88/495129488.db2.gz LUNZGUJYKRMPNP-UHFFFAOYSA-N 0 3 365.433 3.087 20 30 FGEDHN CCCCN(C)CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000112308666 495173651 /nfs/dbraw/zinc/17/36/51/495173651.db2.gz MVEDGWJDMJZNBJ-UHFFFAOYSA-N 0 3 355.438 3.192 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000102983691 495179195 /nfs/dbraw/zinc/17/91/95/495179195.db2.gz FTHBAQJWBWFSDL-UHFFFAOYSA-N 0 3 369.490 3.366 20 30 FGEDHN C[C@@H]1CCC[C@@H](OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000112632200 495214788 /nfs/dbraw/zinc/21/47/88/495214788.db2.gz QMKVWUPQHVHYRQ-YLJYHZDGSA-N 0 3 357.498 3.044 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000123975646 495215645 /nfs/dbraw/zinc/21/56/45/495215645.db2.gz PBOVMEMCKMZMPM-INIZCTEOSA-N 0 3 357.498 3.294 20 30 FGEDHN C=C(C)COCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000135037486 495242202 /nfs/dbraw/zinc/24/22/02/495242202.db2.gz XEGBNJFTPDYVOO-WBVHZDCISA-N 0 3 351.516 3.023 20 30 FGEDHN COc1ccc(CNCc2ccc(NC(N)=O)cc2)cc1OCCCC#N ZINC000119995020 495284758 /nfs/dbraw/zinc/28/47/58/495284758.db2.gz LKXWBAJGVSDRDT-UHFFFAOYSA-N 0 3 368.437 3.158 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)nn2c1nc(C)cc2C)C(C)C ZINC000120084512 495303659 /nfs/dbraw/zinc/30/36/59/495303659.db2.gz NMMVIYASYMEEEU-GOSISDBHSA-N 0 3 369.513 3.083 20 30 FGEDHN N#Cc1ccc(SCC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000114642922 495403257 /nfs/dbraw/zinc/40/32/57/495403257.db2.gz KASOPYHYEQLPLB-IBGZPJMESA-N 0 3 365.502 3.431 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3C)c2C)CC1 ZINC000106036656 495405670 /nfs/dbraw/zinc/40/56/70/495405670.db2.gz JOUPYIKWWHOLSU-UHFFFAOYSA-N 0 3 352.482 3.259 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)CC1 ZINC000106036552 495405939 /nfs/dbraw/zinc/40/59/39/495405939.db2.gz YZANQDNXDZGSCR-DNVCBOLYSA-N 0 3 355.482 3.051 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000114739474 495419353 /nfs/dbraw/zinc/41/93/53/495419353.db2.gz XLFHMADYJPDZFJ-UHFFFAOYSA-N 0 3 371.506 3.139 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3nc(OC)ccc3c2)CC1 ZINC000106325252 495444827 /nfs/dbraw/zinc/44/48/27/495444827.db2.gz VPBUJIRXGXPPPM-UHFFFAOYSA-N 0 3 354.454 3.405 20 30 FGEDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000106364278 495448520 /nfs/dbraw/zinc/44/85/20/495448520.db2.gz ORPYWMNSAKFBFS-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000131267747 495515195 /nfs/dbraw/zinc/51/51/95/495515195.db2.gz MAEIZYMXTHTFHK-SFHVURJKSA-N 0 3 353.422 3.463 20 30 FGEDHN Cc1noc(C)c1[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000131280651 495516879 /nfs/dbraw/zinc/51/68/79/495516879.db2.gz VIFQDHDHNRJTCV-HNNXBMFYSA-N 0 3 368.481 3.247 20 30 FGEDHN CC(C)Oc1ccc(CC[C@H](C)N[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115597671 495520761 /nfs/dbraw/zinc/52/07/61/495520761.db2.gz ITACFVNDULQUBE-HRAATJIYSA-N 0 3 365.477 3.483 20 30 FGEDHN COc1cc(CN[C@@H]2C[C@H](O)C2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000577765993 505788661 /nfs/dbraw/zinc/78/86/61/505788661.db2.gz QXOFCVHEAOYDHK-RTWAWAEBSA-N 0 3 366.461 3.395 20 30 FGEDHN N#CCC[C@H](C#N)CNC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000574511838 505788993 /nfs/dbraw/zinc/78/89/93/505788993.db2.gz AENGYNJFMBERRS-HUUCEWRRSA-N 0 3 361.287 3.309 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000182554451 495612338 /nfs/dbraw/zinc/61/23/38/495612338.db2.gz AODXIFIGBXAAHM-CQSZACIVSA-N 0 3 353.422 3.255 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179502360 495619024 /nfs/dbraw/zinc/61/90/24/495619024.db2.gz AWBQSSBWQLVTKO-KRWDZBQOSA-N 0 3 351.454 3.202 20 30 FGEDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1COc2ccccc21 ZINC000185606516 495641179 /nfs/dbraw/zinc/64/11/79/495641179.db2.gz XJKHQTCYSPGWMQ-LRDDRELGSA-N 0 3 355.825 3.304 20 30 FGEDHN CCN(C(=O)NCC#Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159086690 495654903 /nfs/dbraw/zinc/65/49/03/495654903.db2.gz FDKROQAGDNHPRY-QFIPXVFZSA-N 0 3 361.489 3.344 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c(F)c1 ZINC000170937496 495659644 /nfs/dbraw/zinc/65/96/44/495659644.db2.gz YNHLRPCOYQUHFS-GOSISDBHSA-N 0 3 369.415 3.365 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3c2cccc3C)CC1 ZINC000176498132 495674306 /nfs/dbraw/zinc/67/43/06/495674306.db2.gz UBUDCTCPJZKEKY-UHFFFAOYSA-N 0 3 354.498 3.359 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000173900992 495739133 /nfs/dbraw/zinc/73/91/33/495739133.db2.gz SCENAYDWCGASLY-GFCCVEGCSA-N 0 3 374.322 3.399 20 30 FGEDHN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000173995343 495780495 /nfs/dbraw/zinc/78/04/95/495780495.db2.gz JQFPRBHMZZULGG-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000179913560 495780955 /nfs/dbraw/zinc/78/09/55/495780955.db2.gz DMQNNBQAKDLMON-HIFRSBDPSA-N 0 3 353.426 3.067 20 30 FGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)c[nH]1 ZINC000159788816 495809969 /nfs/dbraw/zinc/80/99/69/495809969.db2.gz DNIQUQKVLFJRNG-GOSISDBHSA-N 0 3 374.448 3.091 20 30 FGEDHN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2cccc(C#N)c2)c1 ZINC000151367433 495817380 /nfs/dbraw/zinc/81/73/80/495817380.db2.gz LBOCZJAIGLNVGI-AWEZNQCLSA-N 0 3 353.422 3.082 20 30 FGEDHN C[C@@H](ON=C(N)c1cccc(CN2CCCCC2)c1)c1nc(C2CC2)no1 ZINC000174128424 495830435 /nfs/dbraw/zinc/83/04/35/495830435.db2.gz ICOISQQKIUIBAA-CQSZACIVSA-N 0 3 369.469 3.331 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccccc1 ZINC000180050628 495838063 /nfs/dbraw/zinc/83/80/63/495838063.db2.gz JZDNCHBWWYSFRN-IBGZPJMESA-N 0 3 358.482 3.085 20 30 FGEDHN Cn1cc(CNCCOc2ccc(F)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180178401 495893317 /nfs/dbraw/zinc/89/33/17/495893317.db2.gz PIRKAAFJOZZIDT-UHFFFAOYSA-N 0 3 368.387 3.406 20 30 FGEDHN COc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cc1C#N ZINC000174300503 495899671 /nfs/dbraw/zinc/89/96/71/495899671.db2.gz RQCFCRSSMHZEKQ-UHFFFAOYSA-N 0 3 365.477 3.065 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000160220664 495913297 /nfs/dbraw/zinc/91/32/97/495913297.db2.gz IDZRLERYNVYGKK-LAUBAEHRSA-N 0 3 362.477 3.363 20 30 FGEDHN COc1cccc(F)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000186273079 495922369 /nfs/dbraw/zinc/92/23/69/495922369.db2.gz VXKIXHSEDRMUFO-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000171581791 495934495 /nfs/dbraw/zinc/93/44/95/495934495.db2.gz MNDLDXDYNMACCM-UHFFFAOYSA-N 0 3 351.834 3.231 20 30 FGEDHN COc1ccc(CNCCSCc2ccccc2C#N)cc1[N+](=O)[O-] ZINC000171676025 495984899 /nfs/dbraw/zinc/98/48/99/495984899.db2.gz QZMDPKMOWUHWPF-UHFFFAOYSA-N 0 3 357.435 3.498 20 30 FGEDHN CCCCCNC(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000155549986 495991244 /nfs/dbraw/zinc/99/12/44/495991244.db2.gz QOWUTJMUEQLPJI-UHFFFAOYSA-N 0 3 357.498 3.346 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000171707515 495998659 /nfs/dbraw/zinc/99/86/59/495998659.db2.gz ZWPWTWLZLLZSKF-UHFFFAOYSA-N 0 3 371.403 3.077 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000171723072 496008904 /nfs/dbraw/zinc/00/89/04/496008904.db2.gz SCTDNOBFOBMANC-UHFFFAOYSA-N 0 3 373.497 3.092 20 30 FGEDHN N#Cc1ccc(OCCNCc2cnc3ccc(Br)cn23)cc1 ZINC000174561551 496010813 /nfs/dbraw/zinc/01/08/13/496010813.db2.gz UDYTVCHOPDPMJN-UHFFFAOYSA-N 0 3 371.238 3.137 20 30 FGEDHN CCC[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000180478186 496013419 /nfs/dbraw/zinc/01/34/19/496013419.db2.gz HJFVRHHTIGYVNK-WOJBJXKFSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000171737390 496013606 /nfs/dbraw/zinc/01/36/06/496013606.db2.gz LZONXFAFSRBDDD-UHFFFAOYSA-N 0 3 366.303 3.241 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000171738030 496015016 /nfs/dbraw/zinc/01/50/16/496015016.db2.gz CPSMZZNOPYDUJK-UHFFFAOYSA-N 0 3 355.404 3.497 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171739734 496015028 /nfs/dbraw/zinc/01/50/28/496015028.db2.gz FQJNUACFEONJFS-IRXDYDNUSA-N 0 3 372.513 3.072 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000171737647 496015295 /nfs/dbraw/zinc/01/52/95/496015295.db2.gz HAKJGRKTXGNHTN-UHFFFAOYSA-N 0 3 370.497 3.131 20 30 FGEDHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000183586389 496039341 /nfs/dbraw/zinc/03/93/41/496039341.db2.gz UBZINBUJWKKFQI-GOSISDBHSA-N 0 3 373.460 3.470 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000183683314 496076790 /nfs/dbraw/zinc/07/67/90/496076790.db2.gz YGWWQQIHVWLGRL-HNNXBMFYSA-N 0 3 359.433 3.342 20 30 FGEDHN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000180630580 496077311 /nfs/dbraw/zinc/07/73/11/496077311.db2.gz QHJLKNVMRULWHK-KRWDZBQOSA-N 0 3 371.481 3.183 20 30 FGEDHN CS[C@@H](CO)[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000152458778 496159385 /nfs/dbraw/zinc/15/93/85/496159385.db2.gz ALMYXGYMCVNPQR-QRWLVFNGSA-N 0 3 356.491 3.339 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(NC(C)=O)ccc1C)C(C)C ZINC000186913211 496206916 /nfs/dbraw/zinc/20/69/16/496206916.db2.gz RLRQRZQVVYSOKQ-HXUWFJFHSA-N 0 3 357.498 3.382 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000161782519 496236953 /nfs/dbraw/zinc/23/69/53/496236953.db2.gz QJUDODIGARFKAN-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000156515117 496266393 /nfs/dbraw/zinc/26/63/93/496266393.db2.gz ZYHVIKLMEFWJGI-CQSZACIVSA-N 0 3 363.483 3.002 20 30 FGEDHN COc1cccc(NC2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000156608643 496291591 /nfs/dbraw/zinc/29/15/91/496291591.db2.gz ZRXFTAGHKWNYBZ-OAQYLSRUSA-N 0 3 351.450 3.177 20 30 FGEDHN CN(C(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1)C1(C#N)CCCCC1 ZINC000181204886 496311028 /nfs/dbraw/zinc/31/10/28/496311028.db2.gz CKOOVVHRWBWTDH-UYAOXDASSA-N 0 3 369.509 3.429 20 30 FGEDHN Cc1nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000172487462 496314699 /nfs/dbraw/zinc/31/46/99/496314699.db2.gz GPWNFXLMFQZMAZ-UZLBHIALSA-N 0 3 362.477 3.387 20 30 FGEDHN N#CC1(NC(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)CCCCC1 ZINC000181231924 496321258 /nfs/dbraw/zinc/32/12/58/496321258.db2.gz MTYGWSUEUDIPNV-PKOBYXMFSA-N 0 3 355.482 3.087 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000184335522 496340082 /nfs/dbraw/zinc/34/00/82/496340082.db2.gz NGJFZYHGGLURRQ-FUHWJXTLSA-N 0 3 366.465 3.272 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181290506 496341853 /nfs/dbraw/zinc/34/18/53/496341853.db2.gz SEQUOYJGJDTWQU-CVEARBPZSA-N 0 3 359.470 3.107 20 30 FGEDHN C[C@H]1CCC[C@H](CO)N1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000181381599 496373569 /nfs/dbraw/zinc/37/35/69/496373569.db2.gz FTLWAHJXHFHJJL-UONOGXRCSA-N 0 3 361.511 3.062 20 30 FGEDHN CC(C)(C)[C@@H](CCO)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000181485933 496415984 /nfs/dbraw/zinc/41/59/84/496415984.db2.gz LERNMXXZXYHOHH-MRXNPFEDSA-N 0 3 363.527 3.214 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1COc2ccccc21 ZINC000163023379 496452558 /nfs/dbraw/zinc/45/25/58/496452558.db2.gz YAEJILFNEYAODV-UWVAXJGDSA-N 0 3 363.461 3.476 20 30 FGEDHN C#Cc1cccc(N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000163211068 496481768 /nfs/dbraw/zinc/48/17/68/496481768.db2.gz NNLDBHRXZNTSMR-UHFFFAOYSA-N 0 3 362.473 3.149 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000178541920 496493444 /nfs/dbraw/zinc/49/34/44/496493444.db2.gz FEKFYIRLVIKAOF-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN COCCC1(CN[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCCCC1 ZINC000184727238 496508730 /nfs/dbraw/zinc/50/87/30/496508730.db2.gz QRDQPVGYAGFXMH-IBGZPJMESA-N 0 3 355.482 3.240 20 30 FGEDHN COc1cc(N2CCN(CC(C)(C)CCC#N)CC2)cc(OC)c1OC ZINC000184753624 496519067 /nfs/dbraw/zinc/51/90/67/496519067.db2.gz VPJYQYCXHJLZME-UHFFFAOYSA-N 0 3 361.486 3.164 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000175766584 496535732 /nfs/dbraw/zinc/53/57/32/496535732.db2.gz DCCCVVMWHJMBSV-ROUUACIJSA-N 0 3 351.535 3.262 20 30 FGEDHN C=CCC[C@H](NCC(=O)Nc1nc(CC(=O)OC)cs1)c1ccccc1 ZINC000157708882 496535819 /nfs/dbraw/zinc/53/58/19/496535819.db2.gz BKKIKBJGCGANKZ-INIZCTEOSA-N 0 3 373.478 3.094 20 30 FGEDHN COC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(C)o1 ZINC000181848059 496571252 /nfs/dbraw/zinc/57/12/52/496571252.db2.gz MNCFPDZTGCIACP-HXUWFJFHSA-N 0 3 353.466 3.401 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2Cl)CC1 ZINC000173197003 496588607 /nfs/dbraw/zinc/58/86/07/496588607.db2.gz RKYRPODUAAFDNB-CQSZACIVSA-N 0 3 351.878 3.057 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173345098 496651365 /nfs/dbraw/zinc/65/13/65/496651365.db2.gz CONFICRLGPTFIW-MRXNPFEDSA-N 0 3 366.469 3.144 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000154031732 496660629 /nfs/dbraw/zinc/66/06/29/496660629.db2.gz AMRNXHKSGNALQE-OAHLLOKOSA-N 0 3 361.534 3.347 20 30 FGEDHN COc1cccc(C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000194878596 496745660 /nfs/dbraw/zinc/74/56/60/496745660.db2.gz AJHUGBCSVNFEAH-FQEVSTJZSA-N 0 3 366.461 3.186 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000188404147 496777793 /nfs/dbraw/zinc/77/77/93/496777793.db2.gz DBXQIVFBPPSNJN-LAUBAEHRSA-N 0 3 359.473 3.369 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2cnn(CC)c2)CC1 ZINC000195512641 496948148 /nfs/dbraw/zinc/94/81/48/496948148.db2.gz WXXKLNXLAUUQFV-NRFANRHFSA-N 0 3 369.509 3.251 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C3CCC3)CCC2)cc1 ZINC000578162342 505875889 /nfs/dbraw/zinc/87/58/89/505875889.db2.gz PMIOSEWXCPBJTJ-ZDUSSCGKSA-N 0 3 361.467 3.217 20 30 FGEDHN C=C[C@@H](CC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)c1ccccc1 ZINC000248444511 497014466 /nfs/dbraw/zinc/01/44/66/497014466.db2.gz LYZKEHHOLWPRLU-PGRDOPGGSA-N 0 3 364.489 3.229 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000192152820 497014551 /nfs/dbraw/zinc/01/45/51/497014551.db2.gz SOUVBPPARFXXJW-HKUYNNGSSA-N 0 3 357.816 3.412 20 30 FGEDHN N#Cc1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000192226782 497040886 /nfs/dbraw/zinc/04/08/86/497040886.db2.gz NTSHFUNYGBRMQC-QGZVFWFLSA-N 0 3 356.857 3.310 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000270058740 497049427 /nfs/dbraw/zinc/04/94/27/497049427.db2.gz WLINKTKPLXTWOI-NBYUQASBSA-N 0 3 367.493 3.177 20 30 FGEDHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000189224454 497050199 /nfs/dbraw/zinc/05/01/99/497050199.db2.gz RHBBDGYGTCBBBE-IAQYHMDHSA-N 0 3 361.511 3.371 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]3CN3CCCCC3)C2=O)cc1 ZINC000248732606 497092884 /nfs/dbraw/zinc/09/28/84/497092884.db2.gz JXYIYLKUSPMAKP-SFTDATJTSA-N 0 3 366.509 3.004 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(CC#N)cc1 ZINC000270431411 497127181 /nfs/dbraw/zinc/12/71/81/497127181.db2.gz OHKOUWILJMJMMA-OAQYLSRUSA-N 0 3 362.477 3.274 20 30 FGEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249457903 497205482 /nfs/dbraw/zinc/20/54/82/497205482.db2.gz DUVYMVOUTOTPQV-LZNRXBQRSA-N 0 3 361.493 3.369 20 30 FGEDHN CCOC(=O)C[C@@](C)(N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000192792952 497215950 /nfs/dbraw/zinc/21/59/50/497215950.db2.gz PZOZULHMCZGLLK-WIYYLYMNSA-N 0 3 371.481 3.011 20 30 FGEDHN C#CCOc1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000271141871 497272442 /nfs/dbraw/zinc/27/24/42/497272442.db2.gz AVSYGGOJSZRXHO-UHFFFAOYSA-N 0 3 364.445 3.255 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cccc(Cn4cncn4)c3)CC2)cc1 ZINC000569309592 505902817 /nfs/dbraw/zinc/90/28/17/505902817.db2.gz JTLAYYLQHPFHCL-UHFFFAOYSA-N 0 3 372.476 3.275 20 30 FGEDHN C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCC[C@H](C)C1 ZINC000245405137 497389358 /nfs/dbraw/zinc/38/93/58/497389358.db2.gz RTUAJZGHUCREBZ-DLBZAZTESA-N 0 3 354.498 3.353 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H]3CN3CCCCC3)on2)c1 ZINC000279335784 497410529 /nfs/dbraw/zinc/41/05/29/497410529.db2.gz YPFUGBQFELBFRF-GOSISDBHSA-N 0 3 364.449 3.304 20 30 FGEDHN CC(C)CCOC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279366779 497419787 /nfs/dbraw/zinc/41/97/87/497419787.db2.gz RMFPYODPYQIHQD-IBGZPJMESA-N 0 3 353.466 3.294 20 30 FGEDHN CCCCOc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1OC ZINC000271697544 497421796 /nfs/dbraw/zinc/42/17/96/497421796.db2.gz SSDGOOVKINFHOW-INIZCTEOSA-N 0 3 361.486 3.287 20 30 FGEDHN CN1CC=C(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000271892165 497481906 /nfs/dbraw/zinc/48/19/06/497481906.db2.gz ONYKRAISNIRRBA-UHFFFAOYSA-N 0 3 361.445 3.129 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([C@@H]2CCCO2)CC1)C(C)C ZINC000190535392 497520123 /nfs/dbraw/zinc/52/01/23/497520123.db2.gz LYDQYCUKMWHBRA-PMACEKPBSA-N 0 3 363.546 3.286 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267302693 497520149 /nfs/dbraw/zinc/52/01/49/497520149.db2.gz YEWCOHHQSRTLQF-IBGZPJMESA-N 0 3 374.525 3.155 20 30 FGEDHN C[C@H](Cc1ccc(F)cc1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190606993 497543605 /nfs/dbraw/zinc/54/36/05/497543605.db2.gz VEMIUSJLBHCMND-QRWLVFNGSA-N 0 3 351.425 3.019 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000276520529 497592111 /nfs/dbraw/zinc/59/21/11/497592111.db2.gz VGUUURMDPXOTSA-MRXNPFEDSA-N 0 3 369.509 3.244 20 30 FGEDHN N#CCOc1ccccc1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000194186684 497597111 /nfs/dbraw/zinc/59/71/11/497597111.db2.gz GNTAXDIRMWEPQI-UHFFFAOYSA-N 0 3 355.482 3.317 20 30 FGEDHN COc1ccccc1[C@H](CNCc1cc(C#N)n(C)c1)N1CCCCC1 ZINC000190798359 497607326 /nfs/dbraw/zinc/60/73/26/497607326.db2.gz PJUNPWIAIKTYBB-FQEVSTJZSA-N 0 3 352.482 3.222 20 30 FGEDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1[O-] ZINC000190838540 497618059 /nfs/dbraw/zinc/61/80/59/497618059.db2.gz YPRPWQWWQRSORZ-GOSISDBHSA-N 0 3 369.852 3.116 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000280108238 497651438 /nfs/dbraw/zinc/65/14/38/497651438.db2.gz TURZNFBLDXUXCE-OALUTQOASA-N 0 3 351.450 3.239 20 30 FGEDHN COC(CCCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000280278435 497705856 /nfs/dbraw/zinc/70/58/56/497705856.db2.gz LAASJJNXIYKWSE-SFHVURJKSA-N 0 3 371.481 3.172 20 30 FGEDHN CC[C@@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272707935 497708457 /nfs/dbraw/zinc/70/84/57/497708457.db2.gz HSUGPVMFWDHSSG-WOJBJXKFSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCSCCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000194634050 497724601 /nfs/dbraw/zinc/72/46/01/497724601.db2.gz XEUHLIIRSAPFJA-GOSISDBHSA-N 0 3 363.527 3.051 20 30 FGEDHN Cc1ccnc(OC2CCN(CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000272951666 497768739 /nfs/dbraw/zinc/76/87/39/497768739.db2.gz MOOIFIMWGAPJOH-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN COc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000277303937 497798498 /nfs/dbraw/zinc/79/84/98/497798498.db2.gz SCEODFULHURRCU-UZLBHIALSA-N 0 3 363.461 3.327 20 30 FGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246734445 497806069 /nfs/dbraw/zinc/80/60/69/497806069.db2.gz JUQZWXDCXIHTNF-XFQXTVEOSA-N 0 3 354.425 3.315 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329572078 497833110 /nfs/dbraw/zinc/83/31/10/497833110.db2.gz MXIXNPAXASZPLZ-KYABYICQSA-N 0 3 360.454 3.228 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)[N-]C2(C)CC2)cc1 ZINC000284591668 497837414 /nfs/dbraw/zinc/83/74/14/497837414.db2.gz YAHSXXQYOSHLFY-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN CC(C)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Nc1ccccc1 ZINC000280646741 497840982 /nfs/dbraw/zinc/84/09/82/497840982.db2.gz SCQKDQZRQKQAFD-TZIWHRDSSA-N 0 3 360.461 3.493 20 30 FGEDHN C[C@@H]1[C@@H](C)CCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329601140 497841983 /nfs/dbraw/zinc/84/19/83/497841983.db2.gz KMAMSVQSTZVHBV-UONOGXRCSA-N 0 3 361.442 3.470 20 30 FGEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ncnc4sccc43)C2)C1 ZINC000329631946 497850819 /nfs/dbraw/zinc/85/08/19/497850819.db2.gz RPJWXSMELBPWHU-CABCVRRESA-N 0 3 373.526 3.349 20 30 FGEDHN C[C@H](NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2)C1=CCN(C)CC1 ZINC000329700644 497874570 /nfs/dbraw/zinc/87/45/70/497874570.db2.gz GVBMWHSPRAKIRW-MAUKXSAKSA-N 0 3 371.481 3.159 20 30 FGEDHN C=CCN(C(=O)NCc1c(C)noc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364278618 497876948 /nfs/dbraw/zinc/87/69/48/497876948.db2.gz JIVJDDFCULVIBT-IBGZPJMESA-N 0 3 368.481 3.264 20 30 FGEDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2ccccc2C#N)c1 ZINC000299664498 497887080 /nfs/dbraw/zinc/88/70/80/497887080.db2.gz LVHJTNORMJYREE-CQSZACIVSA-N 0 3 350.422 3.196 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000575208282 505942561 /nfs/dbraw/zinc/94/25/61/505942561.db2.gz CPQKENQEIORVIZ-UWJYYQICSA-N 0 3 362.477 3.363 20 30 FGEDHN Cc1nc2ccccc2n1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280817748 497909828 /nfs/dbraw/zinc/90/98/28/497909828.db2.gz NDDPHVUWDJMLDC-IBGZPJMESA-N 0 3 371.444 3.105 20 30 FGEDHN Cc1cc(F)cc(-n2cc(C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C)nn2)c1 ZINC000329841199 497921952 /nfs/dbraw/zinc/92/19/52/497921952.db2.gz JXXLGAGJLARXQF-MQVJKMGUSA-N 0 3 357.433 3.035 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329949500 497964943 /nfs/dbraw/zinc/96/49/43/497964943.db2.gz BSOBQIWLJKDVLW-RQXATKFSSA-N 0 3 371.525 3.358 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000292310665 497965286 /nfs/dbraw/zinc/96/52/86/497965286.db2.gz OEDRMPOOSGZWSP-RDTXWAMCSA-N 0 3 363.527 3.090 20 30 FGEDHN O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329964306 497972503 /nfs/dbraw/zinc/97/25/03/497972503.db2.gz SZUBSHBCBKGJRK-VQTJNVASSA-N 0 3 369.509 3.194 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000285062406 497984007 /nfs/dbraw/zinc/98/40/07/497984007.db2.gz LQJZHJWEDYZRAK-MOPGFXCFSA-N 0 3 351.454 3.002 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(CC#N)cc2)CN1Cc1ccccc1 ZINC000578527025 505961196 /nfs/dbraw/zinc/96/11/96/505961196.db2.gz WIFWZENRPNNSLA-UWJYYQICSA-N 0 3 362.477 3.215 20 30 FGEDHN Cc1c(C(=O)NC2CC(N3CCCCC3)C2)nnn1-c1cccc(C)c1 ZINC000330047366 498003698 /nfs/dbraw/zinc/00/36/98/498003698.db2.gz HPRPQVNNHCDCBV-UHFFFAOYSA-N 0 3 353.470 3.206 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364548489 498017949 /nfs/dbraw/zinc/01/79/49/498017949.db2.gz ZHGRLXDPDDDNFX-KRWDZBQOSA-N 0 3 359.514 3.459 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccnc1 ZINC000364568931 498028467 /nfs/dbraw/zinc/02/84/67/498028467.db2.gz JXSQYLRXWMNJHZ-ICSRJNTNSA-N 0 3 360.461 3.060 20 30 FGEDHN O[C@@H](CNCC#Cc1cccc(F)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000569569266 505967616 /nfs/dbraw/zinc/96/76/16/505967616.db2.gz UHHGWMFSUKEVRZ-GOSISDBHSA-N 0 3 351.343 3.389 20 30 FGEDHN N#CC1(CCC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCOCC1 ZINC000281153523 498036182 /nfs/dbraw/zinc/03/61/82/498036182.db2.gz BMDICKZMAWFGSQ-LJQANCHMSA-N 0 3 358.482 3.474 20 30 FGEDHN N#CC1(CCC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCOCC1 ZINC000281153523 498036191 /nfs/dbraw/zinc/03/61/91/498036191.db2.gz BMDICKZMAWFGSQ-LJQANCHMSA-N 0 3 358.482 3.474 20 30 FGEDHN Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000301367567 498078055 /nfs/dbraw/zinc/07/80/55/498078055.db2.gz OHGCKMLCLBPWCM-IBGZPJMESA-N 0 3 369.488 3.238 20 30 FGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281268547 498081479 /nfs/dbraw/zinc/08/14/79/498081479.db2.gz FQPNLTZWXGYTJG-BZEDWVGSSA-N 0 3 355.482 3.147 20 30 FGEDHN C[C@]1(CNC(=O)[C@H]2CCn3cncc3C2)CCCN1Cc1ccccc1 ZINC000330314551 498102067 /nfs/dbraw/zinc/10/20/67/498102067.db2.gz PGFDZEYZHZWHMO-GHTZIAJQSA-N 0 3 352.482 3.457 20 30 FGEDHN COc1ccc(C[C@](C)(O)CN[C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000289574197 498199773 /nfs/dbraw/zinc/19/97/73/498199773.db2.gz AAOAKTZWRLRJBC-SZNDQCEHSA-N 0 3 372.440 3.359 20 30 FGEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000289597740 498210343 /nfs/dbraw/zinc/21/03/43/498210343.db2.gz BKKOXIWLONRURZ-WBVHZDCISA-N 0 3 366.465 3.228 20 30 FGEDHN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330919109 498218297 /nfs/dbraw/zinc/21/82/97/498218297.db2.gz XZCFKINVVIKBIA-CPUCHLNUSA-N 0 3 365.905 3.268 20 30 FGEDHN C[C@@H](NC1(Cc2ccccc2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000578715854 506003696 /nfs/dbraw/zinc/00/36/96/506003696.db2.gz HUQLEQVEMYIVMM-GOSISDBHSA-N 0 3 369.509 3.099 20 30 FGEDHN Cn1cc(CN2CCC([C@H]3CCOC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000365048401 498271802 /nfs/dbraw/zinc/27/18/02/498271802.db2.gz ZPIQKMLOZILYSJ-IBGZPJMESA-N 0 3 350.466 3.207 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000365199042 498348004 /nfs/dbraw/zinc/34/80/04/498348004.db2.gz FOCXNAFGHVDFJY-NRXGSXMXSA-N 0 3 359.495 3.034 20 30 FGEDHN N#Cc1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000365325077 498406009 /nfs/dbraw/zinc/40/60/09/498406009.db2.gz QJGOQLFUEAGQEW-UHFFFAOYSA-N 0 3 366.387 3.485 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000569857821 506032564 /nfs/dbraw/zinc/03/25/64/506032564.db2.gz KZGLBVKDEDIDKB-ZWKOTPCHSA-N 0 3 369.513 3.270 20 30 FGEDHN N#Cc1c(NC[C@@H](O)CN2CCc3ccccc3C2)cccc1C(F)F ZINC000581677865 506042803 /nfs/dbraw/zinc/04/28/03/506042803.db2.gz RIZFWFIERRNAJW-MRXNPFEDSA-N 0 3 357.404 3.327 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000365489876 498493946 /nfs/dbraw/zinc/49/39/46/498493946.db2.gz GHWHJNCHQVJHGN-AZUAARDMSA-N 0 3 365.481 3.397 20 30 FGEDHN CC(C)c1nccc(C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000362411856 498513444 /nfs/dbraw/zinc/51/34/44/498513444.db2.gz CVPWLYYDVGYUKF-HXUWFJFHSA-N 0 3 350.466 3.385 20 30 FGEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1 ZINC000332012127 498532446 /nfs/dbraw/zinc/53/24/46/498532446.db2.gz XNTZMARKRFIMRI-HUUCEWRRSA-N 0 3 374.554 3.242 20 30 FGEDHN CC(C)(C)C1=CCN(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000576010923 506055444 /nfs/dbraw/zinc/05/54/44/506055444.db2.gz VEOBTMYVZZUBFL-IBGZPJMESA-N 0 3 364.493 3.035 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000332189774 498594718 /nfs/dbraw/zinc/59/47/18/498594718.db2.gz GDNZPTZHJDBFFP-SOUVJXGZSA-N 0 3 361.467 3.026 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000332189747 498594844 /nfs/dbraw/zinc/59/48/44/498594844.db2.gz GDNZPTZHJDBFFP-ILXRZTDVSA-N 0 3 361.467 3.026 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(C#N)CC1 ZINC000282699458 498617043 /nfs/dbraw/zinc/61/70/43/498617043.db2.gz JEDKLNGFBIOWLH-LJQANCHMSA-N 0 3 354.498 3.232 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000578982086 506067406 /nfs/dbraw/zinc/06/74/06/506067406.db2.gz ZOWZVYCHNFYHPN-UHTWSYAYSA-N 0 3 373.678 3.124 20 30 FGEDHN C[C@@H]1CN(C2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC000363133704 498667735 /nfs/dbraw/zinc/66/77/35/498667735.db2.gz XDEVDWGKYMAKDW-MRXNPFEDSA-N 0 3 366.427 3.242 20 30 FGEDHN CCN1CCC(N(Cc2nnc(-c3ccc(C#N)cc3)o2)C2CC2)CC1 ZINC000363148457 498674249 /nfs/dbraw/zinc/67/42/49/498674249.db2.gz LONSBQJKJFEEMJ-UHFFFAOYSA-N 0 3 351.454 3.057 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000579004468 506072428 /nfs/dbraw/zinc/07/24/28/506072428.db2.gz DFQOZOHPDFXQPD-LPHOPBHVSA-N 0 3 363.465 3.470 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H]3CCCCN3C[C@@H]2C)c1C ZINC000332517541 498709816 /nfs/dbraw/zinc/70/98/16/498709816.db2.gz XSODXAXYTLUDQV-AZUAARDMSA-N 0 3 368.525 3.109 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000298262681 498713809 /nfs/dbraw/zinc/71/38/09/498713809.db2.gz ACEACXCIMBXQDP-SFTDATJTSA-N 0 3 368.525 3.419 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000366000361 498726179 /nfs/dbraw/zinc/72/61/79/498726179.db2.gz MCQWARUGQOPKSN-UHFFFAOYSA-N 0 3 369.425 3.311 20 30 FGEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000291059842 498777248 /nfs/dbraw/zinc/77/72/48/498777248.db2.gz CYTHELILXJNUMM-NJYVYQBISA-N 0 3 369.509 3.339 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C3CCOCC3)cs2)CC1 ZINC000287498666 498777602 /nfs/dbraw/zinc/77/76/02/498777602.db2.gz TWHOHMCDVJJXAJ-UHFFFAOYSA-N 0 3 364.515 3.199 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1ccccc1C#N)[C@@H]1OCCc2sccc21 ZINC000298479891 498785699 /nfs/dbraw/zinc/78/56/99/498785699.db2.gz SVKIPDWPGOHTCV-YJYMSZOUSA-N 0 3 355.463 3.240 20 30 FGEDHN Cc1ccc(SC[C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000572954156 506091556 /nfs/dbraw/zinc/09/15/56/506091556.db2.gz GUJRKETZPKBUIE-MRXNPFEDSA-N 0 3 374.531 3.411 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCCN(CCCOC)CC2)c1 ZINC000363410284 498806371 /nfs/dbraw/zinc/80/63/71/498806371.db2.gz DAKWSAIIKSVHJQ-UHFFFAOYSA-N 0 3 361.486 3.218 20 30 FGEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000298543063 498808217 /nfs/dbraw/zinc/80/82/17/498808217.db2.gz NJLSHWZPVZJKLR-SFHVURJKSA-N 0 3 357.479 3.298 20 30 FGEDHN CC[C@@](C)(C#N)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000287680687 498834662 /nfs/dbraw/zinc/83/46/62/498834662.db2.gz WFDGXTWYBIOXQI-NRFANRHFSA-N 0 3 357.498 3.114 20 30 FGEDHN N#Cc1cnn2cc(CN[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)cnc12 ZINC000570162644 506105250 /nfs/dbraw/zinc/10/52/50/506105250.db2.gz UOQWKGZYUCZSCQ-SJORKVTESA-N 0 3 371.803 3.013 20 30 FGEDHN Cc1ccc(NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)cn1 ZINC000328628629 498880672 /nfs/dbraw/zinc/88/06/72/498880672.db2.gz HKGGLFRPHOMXQM-LJQANCHMSA-N 0 3 353.470 3.317 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000366341914 498881700 /nfs/dbraw/zinc/88/17/00/498881700.db2.gz MEUVLXAXQCEPPH-VQTJNVASSA-N 0 3 369.428 3.064 20 30 FGEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)N[C@H]1CCOc2ccccc21 ZINC000328690862 498903986 /nfs/dbraw/zinc/90/39/86/498903986.db2.gz IOXCUQKHIKNAIQ-JLJPHGGASA-N 0 3 357.454 3.486 20 30 FGEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000366391922 498905860 /nfs/dbraw/zinc/90/58/60/498905860.db2.gz LWSMVGWWRKMCBL-VXKWHMMOSA-N 0 3 372.472 3.021 20 30 FGEDHN Cn1nnc2ccc(C(=O)NCCN3CCC4(CCCCC4)CC3)cc21 ZINC000328731188 498919408 /nfs/dbraw/zinc/91/94/08/498919408.db2.gz WVCCTFADOWQJQI-UHFFFAOYSA-N 0 3 355.486 3.319 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nccc(Br)c2C)CC1 ZINC000573091845 506116781 /nfs/dbraw/zinc/11/67/81/506116781.db2.gz IXBUMXXWLCYCFR-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN C=C(C)[C@@H](CC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2)OCC ZINC000363739513 498969038 /nfs/dbraw/zinc/96/90/38/498969038.db2.gz OUGAMUULISELHV-LJQANCHMSA-N 0 3 360.498 3.125 20 30 FGEDHN C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000288214170 498969546 /nfs/dbraw/zinc/96/95/46/498969546.db2.gz RRSXJTFOAOQZPE-UZLBHIALSA-N 0 3 350.466 3.391 20 30 FGEDHN COc1cc(CNC[C@@H](O)COc2cc(C)ccc2Cl)ccc1C#N ZINC000579223730 506123507 /nfs/dbraw/zinc/12/35/07/506123507.db2.gz PEYAININAZHYIM-MRXNPFEDSA-N 0 3 360.841 3.058 20 30 FGEDHN CCc1ccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)s1 ZINC000328944421 498994146 /nfs/dbraw/zinc/99/41/46/498994146.db2.gz GAQIARVJYHWRTD-YQVWRLOYSA-N 0 3 366.527 3.019 20 30 FGEDHN C#CCN(Cc1ccccc1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288382271 499010581 /nfs/dbraw/zinc/01/05/81/499010581.db2.gz LRAGQSIHXHBUOU-UHFFFAOYSA-N 0 3 362.477 3.143 20 30 FGEDHN CC(=O)N1CCC(CCC(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)CC1 ZINC000329010000 499013035 /nfs/dbraw/zinc/01/30/35/499013035.db2.gz HUKFNSVHQHANFM-VQTJNVASSA-N 0 3 357.498 3.079 20 30 FGEDHN C[C@@H]1CN(C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@H]1C(N)=O ZINC000329008740 499013753 /nfs/dbraw/zinc/01/37/53/499013753.db2.gz NVOYRQIVZKBFQH-HZPDHXFCSA-N 0 3 350.507 3.050 20 30 FGEDHN N#Cc1cnc(NC[C@H]2CCCN(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000295426947 499014736 /nfs/dbraw/zinc/01/47/36/499014736.db2.gz FKODYDGMORPRBV-CYBMUJFWSA-N 0 3 357.439 3.247 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)oc1C ZINC000366649639 499017136 /nfs/dbraw/zinc/01/71/36/499017136.db2.gz BAZAFONKPKBVSU-SFHVURJKSA-N 0 3 351.450 3.444 20 30 FGEDHN CN(C)CCOc1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000299349012 499031679 /nfs/dbraw/zinc/03/16/79/499031679.db2.gz XSCYCQHUCCZTRL-UHFFFAOYSA-N 0 3 366.509 3.267 20 30 FGEDHN COc1ccc(CNC[C@H](c2ccco2)N(C)C)cc1OCCCC#N ZINC000299434388 499057735 /nfs/dbraw/zinc/05/77/35/499057735.db2.gz CBQUEFWMRGHRPO-QGZVFWFLSA-N 0 3 357.454 3.363 20 30 FGEDHN COc1cc(CNCc2ccc(OC3CCN(C)CC3)cc2)ccc1C#N ZINC000284174239 499062216 /nfs/dbraw/zinc/06/22/16/499062216.db2.gz XEYWZYKWCUDIMZ-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000570272850 506129999 /nfs/dbraw/zinc/12/99/99/506129999.db2.gz KJSHHYMDIYJHHK-HUUCEWRRSA-N 0 3 374.428 3.290 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000333771915 499075302 /nfs/dbraw/zinc/07/53/02/499075302.db2.gz RNSHLOJLLZTIQM-TUNNFDKTSA-N 0 3 366.509 3.376 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000284268656 499080056 /nfs/dbraw/zinc/08/00/56/499080056.db2.gz VUXMFNVJOZIZES-IBGZPJMESA-N 0 3 371.525 3.047 20 30 FGEDHN O=C(CNC1(CO)Cc2ccccc2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329255274 499084777 /nfs/dbraw/zinc/08/47/77/499084777.db2.gz ABORWTWMUXKKAA-UHFFFAOYSA-N 0 3 354.494 3.031 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cnc1N1CCCC[C@H]1C ZINC000329334808 499101601 /nfs/dbraw/zinc/10/16/01/499101601.db2.gz KWVYALCIZLZNOM-MJGOQNOKSA-N 0 3 369.513 3.260 20 30 FGEDHN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329352769 499106323 /nfs/dbraw/zinc/10/63/23/499106323.db2.gz USRQSONQJIYOII-NSHDSACASA-N 0 3 358.408 3.212 20 30 FGEDHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000329369383 499110112 /nfs/dbraw/zinc/11/01/12/499110112.db2.gz LOZKAFLSHIQAFD-PKOBYXMFSA-N 0 3 371.529 3.219 20 30 FGEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000366981283 499125949 /nfs/dbraw/zinc/12/59/49/499125949.db2.gz JZVLWRSAKGIUOM-IBGZPJMESA-N 0 3 374.488 3.101 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226949 499164973 /nfs/dbraw/zinc/16/49/73/499164973.db2.gz RUZYPTKBAAJYJN-SJLPKXTDSA-N 0 3 364.449 3.223 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000367611339 499217576 /nfs/dbraw/zinc/21/75/76/499217576.db2.gz BRUZOZKGBMOVFX-RYQLBKOJSA-N 0 3 369.490 3.499 20 30 FGEDHN CCN1CCC[C@@H](CN(C)c2ccc(Cl)c(C#N)n2)[C@@H]1c1cnn(C)c1 ZINC000370409612 499218013 /nfs/dbraw/zinc/21/80/13/499218013.db2.gz HGSSAHKFQFAUPF-IFXJQAMLSA-N 0 3 372.904 3.250 20 30 FGEDHN CN1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@H]1c1cccs1 ZINC000367727561 499228626 /nfs/dbraw/zinc/22/86/26/499228626.db2.gz IIIXUGQZDLMJDR-GTNSWQLSSA-N 0 3 357.439 3.215 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000370564615 499232074 /nfs/dbraw/zinc/23/20/74/499232074.db2.gz BYYPEGNVSOXWBM-SFTDATJTSA-N 0 3 361.445 3.040 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000368061358 499260634 /nfs/dbraw/zinc/26/06/34/499260634.db2.gz IKNJZTAGYCOCER-DOTOQJQBSA-N 0 3 374.897 3.247 20 30 FGEDHN C=CCC[C@H](NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1ccccc1 ZINC000370898867 499268747 /nfs/dbraw/zinc/26/87/47/499268747.db2.gz HJFBXBDZJSUXJC-RTWAWAEBSA-N 0 3 370.541 3.115 20 30 FGEDHN CCO[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2Cl)C12CCOCC2 ZINC000368463673 499298357 /nfs/dbraw/zinc/29/83/57/499298357.db2.gz WUPDXMCFFJDBGH-HOTGVXAUSA-N 0 3 352.837 3.415 20 30 FGEDHN C#CCN1CCC(C(=O)N(CC)[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000371497098 499334434 /nfs/dbraw/zinc/33/44/34/499334434.db2.gz IYSIFPMHDDIHNH-KNQAVFIVSA-N 0 3 367.537 3.016 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cc(Cl)cc4c3OCC4)CC2)nc1 ZINC000371745431 499360872 /nfs/dbraw/zinc/36/08/72/499360872.db2.gz XIJGIRPSVKCBIJ-UHFFFAOYSA-N 0 3 368.868 3.300 20 30 FGEDHN CC(=O)N1CCCCC[C@H]1C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000369520027 499412004 /nfs/dbraw/zinc/41/20/04/499412004.db2.gz QEWULDJYFPGMEO-QFIPXVFZSA-N 0 3 369.509 3.440 20 30 FGEDHN CCCC[C@@H](C)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000576387387 506146341 /nfs/dbraw/zinc/14/63/41/506146341.db2.gz FLCFOIHBAOEBSW-YLJYHZDGSA-N 0 3 374.504 3.045 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)NC2CCN(Cc3cccs3)CC2)c1 ZINC000369753958 499440791 /nfs/dbraw/zinc/44/07/91/499440791.db2.gz TXASFVSPJFREGG-UHFFFAOYSA-N 0 3 372.469 3.223 20 30 FGEDHN COc1cc(C#N)ccc1CN(C)C1CCN(Cc2ccncc2)CC1 ZINC000378387474 499510509 /nfs/dbraw/zinc/51/05/09/499510509.db2.gz ZARIDEVCUQLIJQ-UHFFFAOYSA-N 0 3 350.466 3.058 20 30 FGEDHN COc1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)cc1C#N ZINC000378428203 499515739 /nfs/dbraw/zinc/51/57/39/499515739.db2.gz RKCPCVMLKPUIOK-DNVCBOLYSA-N 0 3 355.463 3.080 20 30 FGEDHN C[C@H](N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(C#N)s1 ZINC000378470871 499521109 /nfs/dbraw/zinc/52/11/09/499521109.db2.gz IIQNDXAURFQEOC-GXTWGEPZSA-N 0 3 357.483 3.195 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000378487794 499523234 /nfs/dbraw/zinc/52/32/34/499523234.db2.gz KBZUJJPLEZYNAQ-IDHHARJASA-N 0 3 363.889 3.015 20 30 FGEDHN COc1cc(C#N)ccc1CN(C)C1CCN(CCc2ccncc2)CC1 ZINC000378617239 499538031 /nfs/dbraw/zinc/53/80/31/499538031.db2.gz ADFNKINFIULHHV-UHFFFAOYSA-N 0 3 364.493 3.101 20 30 FGEDHN N#Cc1c(F)cccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404146357 499569623 /nfs/dbraw/zinc/56/96/23/499569623.db2.gz LOBDIUTWIBIBDQ-NHCUHLMSSA-N 0 3 351.425 3.177 20 30 FGEDHN C=CCOc1ccc(CNC(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000376014004 499576287 /nfs/dbraw/zinc/57/62/87/499576287.db2.gz RAFNMSZVUAJJRD-UHFFFAOYSA-N 0 3 365.477 3.175 20 30 FGEDHN CCN([C@H](C)c1ccc(C#N)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000409449895 499597385 /nfs/dbraw/zinc/59/73/85/499597385.db2.gz AABMBAIZMWCYKD-CJNGLKHVSA-N 0 3 353.388 3.494 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC23CCC(CC2)C3)cc1 ZINC000376625242 499624096 /nfs/dbraw/zinc/62/40/96/499624096.db2.gz AHKADZRHMWVFCE-WRSVWVKZSA-N 0 3 361.467 3.074 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000409854185 499625461 /nfs/dbraw/zinc/62/54/61/499625461.db2.gz GDJODTQBJMQIGZ-UYAOXDASSA-N 0 3 365.864 3.464 20 30 FGEDHN Cc1cc(NC(=O)c2c[nH]c(C#N)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000376823770 499637678 /nfs/dbraw/zinc/63/76/78/499637678.db2.gz RDBOIHGZFRYIIG-IBGZPJMESA-N 0 3 374.448 3.091 20 30 FGEDHN C#CCC(CC#C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000376889303 499643924 /nfs/dbraw/zinc/64/39/24/499643924.db2.gz RFRUTKFVPUPPIX-NRFANRHFSA-N 0 3 374.488 3.240 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)NCC(C)(C)CCC#N)cc2)CC1 ZINC000376964126 499649944 /nfs/dbraw/zinc/64/99/44/499649944.db2.gz NOZDDYUJUFBSJO-UHFFFAOYSA-N 0 3 372.513 3.289 20 30 FGEDHN N#CC1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000377054140 499657289 /nfs/dbraw/zinc/65/72/89/499657289.db2.gz XXELELKDALDJIE-UHFFFAOYSA-N 0 3 357.420 3.382 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2O1 ZINC000377092814 499661158 /nfs/dbraw/zinc/66/11/58/499661158.db2.gz IQHHMYXMSPOYLM-GOSISDBHSA-N 0 3 363.461 3.457 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000377350609 499682124 /nfs/dbraw/zinc/68/21/24/499682124.db2.gz OFGOAZFNTSZUKF-VQTJNVASSA-N 0 3 368.525 3.480 20 30 FGEDHN O[C@H](CNCC#Cc1cccc(F)c1)Cc1ccccc1C(F)(F)F ZINC000570391070 506157058 /nfs/dbraw/zinc/15/70/58/506157058.db2.gz SLCZMNJYYHOGQY-KRWDZBQOSA-N 0 3 351.343 3.389 20 30 FGEDHN CCCCNC(=O)C1(NCCC(=O)Nc2cccc(C#N)c2)CCCCC1 ZINC000411388654 499732947 /nfs/dbraw/zinc/73/29/47/499732947.db2.gz LDXWAWYFGDJDNS-UHFFFAOYSA-N 0 3 370.497 3.096 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCC(NC(=O)c2ccoc2)CC1 ZINC000378172201 499762086 /nfs/dbraw/zinc/76/20/86/499762086.db2.gz ZHNHSEUTHNAGFI-UHFFFAOYSA-N 0 3 351.450 3.475 20 30 FGEDHN C=CCC1(CNC(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CCCC1 ZINC000411581685 499765797 /nfs/dbraw/zinc/76/57/97/499765797.db2.gz JBZTXERGRJXLPV-UHFFFAOYSA-N 0 3 357.498 3.248 20 30 FGEDHN CCCN(CCN1CCCC1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411718123 499782548 /nfs/dbraw/zinc/78/25/48/499782548.db2.gz KJUOFHKYJGJMKT-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000411759494 499787504 /nfs/dbraw/zinc/78/75/04/499787504.db2.gz QAIRILPULFPFDC-NRFANRHFSA-N 0 3 363.461 3.380 20 30 FGEDHN CNCc1ccccc1NC(=O)NCCSCc1ccccc1C#N ZINC000415900703 499925875 /nfs/dbraw/zinc/92/58/75/499925875.db2.gz LQZRZHWXFKENMO-UHFFFAOYSA-N 0 3 354.479 3.333 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCc4cc(C#N)ccc43)cc2)CC1 ZINC000416020670 499941667 /nfs/dbraw/zinc/94/16/67/499941667.db2.gz NWKWLMOWKWCVMC-UHFFFAOYSA-N 0 3 374.488 3.292 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CSCCN2Cc2ccccc2)cc1F ZINC000421382418 500033494 /nfs/dbraw/zinc/03/34/94/500033494.db2.gz JBRLWMHFAYESJM-IBGZPJMESA-N 0 3 355.482 3.405 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1Cc2cccc(O)c2C1)c1cccc(Cl)c1 ZINC000429310452 500049688 /nfs/dbraw/zinc/04/96/88/500049688.db2.gz XDYXGSVYJIXVAT-MRXNPFEDSA-N 0 3 369.852 3.049 20 30 FGEDHN C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N1CCC(C)CC1 ZINC000416695132 500089602 /nfs/dbraw/zinc/08/96/02/500089602.db2.gz UDOKHQAVFOOZFV-OXJNMPFZSA-N 0 3 354.498 3.355 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)NC[C@H](N)c1ccccc1CC ZINC000417588874 500118738 /nfs/dbraw/zinc/11/87/38/500118738.db2.gz DCXUFNGHTHFXEX-IBGZPJMESA-N 0 3 353.466 3.313 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000421705870 500123856 /nfs/dbraw/zinc/12/38/56/500123856.db2.gz SNMKHRRNVJLUMW-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN CC[C@](C)(C(=O)OC)N(CCC(=O)Nc1sccc1C#N)CC1CC1 ZINC000425511780 500128914 /nfs/dbraw/zinc/12/89/14/500128914.db2.gz LYIXRYRBOGIXKN-GOSISDBHSA-N 0 3 363.483 3.002 20 30 FGEDHN CCN(C(=O)NCc1ccc(C#N)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000573354997 506178291 /nfs/dbraw/zinc/17/82/91/506178291.db2.gz QVGASMWGCGXHRA-KRWDZBQOSA-N 0 3 368.506 3.426 20 30 FGEDHN N#CCC1(CNCc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000430049595 500186127 /nfs/dbraw/zinc/18/61/27/500186127.db2.gz ZLAGYVCEPRJYSB-UHFFFAOYSA-N 0 3 351.244 3.394 20 30 FGEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425931772 500213655 /nfs/dbraw/zinc/21/36/55/500213655.db2.gz MVHCXYYBORBUFK-QFIPXVFZSA-N 0 3 368.908 3.260 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NC[C@H](N)c2ccccc2CC)cc1 ZINC000418159339 500239495 /nfs/dbraw/zinc/23/94/95/500239495.db2.gz CEYHYUQWOFHEHB-FQEVSTJZSA-N 0 3 353.466 3.313 20 30 FGEDHN O=C(CN1C[C@H]2CCCC[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426777893 500318850 /nfs/dbraw/zinc/31/88/50/500318850.db2.gz ROJQRXVBMQXOOF-IAGOWNOFSA-N 0 3 364.411 3.295 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000424114778 500455843 /nfs/dbraw/zinc/45/58/43/500455843.db2.gz SRKOWJUEANFLFJ-MOPGFXCFSA-N 0 3 357.404 3.386 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000424115633 500456390 /nfs/dbraw/zinc/45/63/90/500456390.db2.gz ARBOSYUYTMQHCN-UXHICEINSA-N 0 3 351.450 3.082 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000424141902 500459432 /nfs/dbraw/zinc/45/94/32/500459432.db2.gz PFUQMJGURCUIBQ-QGZVFWFLSA-N 0 3 369.396 3.109 20 30 FGEDHN Cc1cccc(Oc2cc(CNC(=O)[C@H](N)CCCC#N)ccn2)c1C ZINC000424147197 500459831 /nfs/dbraw/zinc/45/98/31/500459831.db2.gz QSDKOSSIDGSMQP-QGZVFWFLSA-N 0 3 352.438 3.128 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000424155039 500461510 /nfs/dbraw/zinc/46/15/10/500461510.db2.gz PDMBVRZWOQCFRL-BBRMVZONSA-N 0 3 370.280 3.384 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000424178894 500463975 /nfs/dbraw/zinc/46/39/75/500463975.db2.gz XUSFJFPHCTYQFN-INIZCTEOSA-N 0 3 364.287 3.176 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000576606901 506197748 /nfs/dbraw/zinc/19/77/48/506197748.db2.gz VWOMYFVVTSDHMA-LPHOPBHVSA-N 0 3 372.465 3.458 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCN3CCc4ccccc43)CC2)cc1 ZINC000428457575 500512688 /nfs/dbraw/zinc/51/26/88/500512688.db2.gz AAZKNRNPZQVDKB-UHFFFAOYSA-N 0 3 360.505 3.129 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1cn2c(n1)CCCC2)C(C)C ZINC000428473906 500514621 /nfs/dbraw/zinc/51/46/21/500514621.db2.gz HTBQHTGORADLQT-IBGZPJMESA-N 0 3 373.545 3.059 20 30 FGEDHN COc1cc(CNC(=O)C(C#N)CCc2ccccc2)cc(OC)c1OC ZINC000433146530 500635215 /nfs/dbraw/zinc/63/52/15/500635215.db2.gz VUVMIOZIUKBXPD-KRWDZBQOSA-N 0 3 368.433 3.101 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000437479320 500648851 /nfs/dbraw/zinc/64/88/51/500648851.db2.gz CWKSYUOEGMJHIF-RZQQEMMASA-N 0 3 357.498 3.279 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000433232489 500651773 /nfs/dbraw/zinc/65/17/73/500651773.db2.gz MIGCGKGBNZKLIH-FQEVSTJZSA-N 0 3 362.477 3.461 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000433320665 500671386 /nfs/dbraw/zinc/67/13/86/500671386.db2.gz VGXLVMXCVMOYQK-SFHVURJKSA-N 0 3 362.408 3.400 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000433342976 500676817 /nfs/dbraw/zinc/67/68/17/500676817.db2.gz NAOSSFUJEXTEMX-UYAOXDASSA-N 0 3 361.445 3.071 20 30 FGEDHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433350454 500678019 /nfs/dbraw/zinc/67/80/19/500678019.db2.gz FQUKKZXLVZDPMA-ICSRJNTNSA-N 0 3 362.477 3.059 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000573568519 506212992 /nfs/dbraw/zinc/21/29/92/506212992.db2.gz UJUWXJFHUHCOCN-MRXNPFEDSA-N 0 3 365.412 3.252 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000573568519 506212994 /nfs/dbraw/zinc/21/29/94/506212994.db2.gz UJUWXJFHUHCOCN-MRXNPFEDSA-N 0 3 365.412 3.252 20 30 FGEDHN C[C@H](Cc1ccccc1F)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000437805703 500699194 /nfs/dbraw/zinc/69/91/94/500699194.db2.gz VFVHDJZARBGASV-QRWLVFNGSA-N 0 3 351.425 3.414 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000438013541 500728735 /nfs/dbraw/zinc/72/87/35/500728735.db2.gz PBGPUTBMAFXOKS-WOJBJXKFSA-N 0 3 359.514 3.049 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000573553191 506211173 /nfs/dbraw/zinc/21/11/73/506211173.db2.gz XYMYRWBNHMORSB-BXWFABGCSA-N 0 3 367.497 3.059 20 30 FGEDHN C=CCc1cc(CN(CCOC)[C@@H]2CCCSC2)cc(OC)c1O ZINC000448373837 500755253 /nfs/dbraw/zinc/75/52/53/500755253.db2.gz JVDYZBKXMONKNE-QGZVFWFLSA-N 0 3 351.512 3.473 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443973273 500785344 /nfs/dbraw/zinc/78/53/44/500785344.db2.gz OQJXTRRKPDNMIP-UHFFFAOYSA-N 0 3 371.506 3.187 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1cc(C#N)[nH]c1C)c1cccc(OC)c1 ZINC000448636697 500791268 /nfs/dbraw/zinc/79/12/68/500791268.db2.gz CNDDIBZFFPHGIU-LJQANCHMSA-N 0 3 354.454 3.016 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000602568674 506219359 /nfs/dbraw/zinc/21/93/59/506219359.db2.gz LKPHLXXQZGCNHM-OAHLLOKOSA-N 0 3 350.825 3.030 20 30 FGEDHN N#Cc1cccc(C(=O)N2CCC[C@H]2CN2CCCC2)c1Br ZINC000448832477 500846640 /nfs/dbraw/zinc/84/66/40/500846640.db2.gz VXPCGFGFYIULNV-AWEZNQCLSA-N 0 3 362.271 3.021 20 30 FGEDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000439172594 500866859 /nfs/dbraw/zinc/86/68/59/500866859.db2.gz VLLOQGAJWUSMFQ-CYBMUJFWSA-N 0 3 361.902 3.330 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ncccc1C(F)(F)F ZINC000602574713 506221513 /nfs/dbraw/zinc/22/15/13/506221513.db2.gz MBBVEWBJUQHJHR-CYBMUJFWSA-N 0 3 357.376 3.168 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2ccnn2CC)CC1 ZINC000434789701 500895074 /nfs/dbraw/zinc/89/50/74/500895074.db2.gz NKVKFUSFUSDREO-FQEVSTJZSA-N 0 3 369.509 3.251 20 30 FGEDHN CCC[C@]1(CO)CCCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000444775037 500897543 /nfs/dbraw/zinc/89/75/43/500897543.db2.gz LOUSPMITHXEKLV-OAQYLSRUSA-N 0 3 357.498 3.177 20 30 FGEDHN COC(=O)COC[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000449233065 500953913 /nfs/dbraw/zinc/95/39/13/500953913.db2.gz KCUQVVNSTUSZRH-HZPDHXFCSA-N 0 3 352.434 3.454 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000435464335 500982112 /nfs/dbraw/zinc/98/21/12/500982112.db2.gz QPKAOEJFJWWXAT-OAHLLOKOSA-N 0 3 367.449 3.090 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000435731220 501019398 /nfs/dbraw/zinc/01/93/98/501019398.db2.gz KIEUXTYRXPKONH-JXFKEZNVSA-N 0 3 363.933 3.163 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000435740819 501021269 /nfs/dbraw/zinc/02/12/69/501021269.db2.gz FYZMOBCEBBAMSF-LRDDRELGSA-N 0 3 356.260 3.234 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2c(cc1Br)OCO2 ZINC000435744012 501021715 /nfs/dbraw/zinc/02/17/15/501021715.db2.gz VHMBBMFCFYOZBH-ZBEGNZNMSA-N 0 3 354.244 3.249 20 30 FGEDHN N#Cc1cnc2c(Br)cccc2c1N1CCN(CC2CC2)CC1 ZINC000440662227 501036132 /nfs/dbraw/zinc/03/61/32/501036132.db2.gz RNNCYEQEHCSEPR-UHFFFAOYSA-N 0 3 371.282 3.401 20 30 FGEDHN CO[C@H]1C[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000449632126 501046734 /nfs/dbraw/zinc/04/67/34/501046734.db2.gz MFDFDZBONYEUBB-OALUTQOASA-N 0 3 365.481 3.248 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000435963820 501051511 /nfs/dbraw/zinc/05/15/11/501051511.db2.gz FARGMFZBULHIIC-UHFFFAOYSA-N 0 3 363.452 3.189 20 30 FGEDHN COc1cccc(N2CCC[C@H](NCc3ccc(C#N)c(OC)c3)C2)c1 ZINC000440821910 501053200 /nfs/dbraw/zinc/05/32/00/501053200.db2.gz OEQFAZIQGNRQFB-SFHVURJKSA-N 0 3 351.450 3.334 20 30 FGEDHN C=CCC[C@@H](CO)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449696659 501064364 /nfs/dbraw/zinc/06/43/64/501064364.db2.gz ITBKVNPNGGUDHI-AWEZNQCLSA-N 0 3 350.260 3.256 20 30 FGEDHN C=CCC[C@@H](CO)NCc1ccc(OC(F)F)c(Br)c1 ZINC000449698435 501064940 /nfs/dbraw/zinc/06/49/40/501064940.db2.gz NNTJQOVNXXDMNJ-NSHDSACASA-N 0 3 350.203 3.467 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000450372546 501103904 /nfs/dbraw/zinc/10/39/04/501103904.db2.gz PVQMGTKGLSGIQB-IYBDPMFKSA-N 0 3 372.469 3.182 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@@](C)(CC)COc1ncccc1Cl ZINC000441308373 501118482 /nfs/dbraw/zinc/11/84/82/501118482.db2.gz MZMQZKRTHZKRBN-SFHVURJKSA-N 0 3 353.894 3.297 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000449907978 501123154 /nfs/dbraw/zinc/12/31/54/501123154.db2.gz RBEOMRQMXLRLRU-DNVCBOLYSA-N 0 3 350.466 3.320 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000450022084 501157409 /nfs/dbraw/zinc/15/74/09/501157409.db2.gz JTJZCEAHNYEGOK-JOCHJYFZSA-N 0 3 362.477 3.323 20 30 FGEDHN Cc1cccc2c1CCC[C@@H]2NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596071019 506240198 /nfs/dbraw/zinc/24/01/98/506240198.db2.gz WAFRQARSEBNFNZ-FQEVSTJZSA-N 0 3 354.475 3.308 20 30 FGEDHN C[C@H](CCC#N)CN[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602638945 506240939 /nfs/dbraw/zinc/24/09/39/506240939.db2.gz YTZDHUUTQQLPFA-DOMZBBRYSA-N 0 3 350.260 3.084 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451330555 501267469 /nfs/dbraw/zinc/26/74/69/501267469.db2.gz MLNZHMGUYSIPOO-GOSISDBHSA-N 0 3 357.841 3.206 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000451471294 501300503 /nfs/dbraw/zinc/30/05/03/501300503.db2.gz PFHZYWSAQMFGBK-GTYSZEQSSA-N 0 3 373.522 3.280 20 30 FGEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453364281 501320412 /nfs/dbraw/zinc/32/04/12/501320412.db2.gz RDYDMGOPHMHUEE-NVXWUHKLSA-N 0 3 351.512 3.381 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453426108 501329281 /nfs/dbraw/zinc/32/92/81/501329281.db2.gz QDZOTFUUCLUJIY-INIZCTEOSA-N 0 3 355.486 3.060 20 30 FGEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453426966 501329713 /nfs/dbraw/zinc/32/97/13/501329713.db2.gz VBRVSBDRIARKFV-XYJFISCASA-N 0 3 371.554 3.283 20 30 FGEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453426959 501329779 /nfs/dbraw/zinc/32/97/79/501329779.db2.gz VBRVSBDRIARKFV-JFIYKMOQSA-N 0 3 371.554 3.283 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453449158 501334523 /nfs/dbraw/zinc/33/45/23/501334523.db2.gz DYOPLJAMOOLUPM-QGZVFWFLSA-N 0 3 354.502 3.145 20 30 FGEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453456868 501337176 /nfs/dbraw/zinc/33/71/76/501337176.db2.gz WSKUMQRXHMNJSL-RHQZKXFESA-N 0 3 373.545 3.118 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000453465953 501339546 /nfs/dbraw/zinc/33/95/46/501339546.db2.gz NRBIUCOLGDTKIJ-QZTJIDSGSA-N 0 3 359.518 3.160 20 30 FGEDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000451632380 501340598 /nfs/dbraw/zinc/34/05/98/501340598.db2.gz OGDGQYOLEMBKMB-QZTJIDSGSA-N 0 3 358.486 3.187 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000451680771 501349542 /nfs/dbraw/zinc/34/95/42/501349542.db2.gz MWEPWJUKCPDKHZ-OLZOCXBDSA-N 0 3 360.788 3.203 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@H]2O)cc1OC ZINC000453617863 501363045 /nfs/dbraw/zinc/36/30/45/501363045.db2.gz RMZQXBQEFYZDPQ-ZIAGYGMSSA-N 0 3 356.260 3.026 20 30 FGEDHN C[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)N(C)Cc1ccccc1 ZINC000455762102 501381014 /nfs/dbraw/zinc/38/10/14/501381014.db2.gz AKBJZEYVTXLKAT-ZDUSSCGKSA-N 0 3 357.845 3.249 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000458333974 501422051 /nfs/dbraw/zinc/42/20/51/501422051.db2.gz MASTZDUZYPAVBM-FQEVSTJZSA-N 0 3 369.465 3.327 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000458333976 501422278 /nfs/dbraw/zinc/42/22/78/501422278.db2.gz MASTZDUZYPAVBM-HXUWFJFHSA-N 0 3 369.465 3.327 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](CCCO)C2)c1 ZINC000452128791 501442432 /nfs/dbraw/zinc/44/24/32/501442432.db2.gz YLUJULMMJIOQRM-RBUKOAKNSA-N 0 3 357.498 3.033 20 30 FGEDHN C=CCOc1c(Cl)cc(CNCC2([S@](C)=O)CCC2)cc1OC ZINC000598975646 506256046 /nfs/dbraw/zinc/25/60/46/506256046.db2.gz PKABPSZDOINEAN-QHCPKHFHSA-N 0 3 357.903 3.304 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000458756976 501523867 /nfs/dbraw/zinc/52/38/67/501523867.db2.gz FCBUMJSVHVMCPQ-KUHUBIRLSA-N 0 3 354.429 3.188 20 30 FGEDHN C=CCC[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(=O)OCC ZINC000456628273 501561160 /nfs/dbraw/zinc/56/11/60/501561160.db2.gz NYFVFQTXNONLRZ-MRXNPFEDSA-N 0 3 358.438 3.122 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454535920 501571757 /nfs/dbraw/zinc/57/17/57/501571757.db2.gz FVILEUMPTFWZBT-QGZVFWFLSA-N 0 3 372.469 3.134 20 30 FGEDHN C=C(C)CN1CCC(Nc2nc(C(F)(F)F)ccc2C(=O)OC)CC1 ZINC000596114258 506265200 /nfs/dbraw/zinc/26/52/00/506265200.db2.gz BMXLQANMEFGQSW-UHFFFAOYSA-N 0 3 357.376 3.339 20 30 FGEDHN CC(C)(CC#N)CNCc1ccc(Br)cc1N1CCOCC1 ZINC000459728220 501705405 /nfs/dbraw/zinc/70/54/05/501705405.db2.gz IILOGKAMENRUGQ-UHFFFAOYSA-N 0 3 366.303 3.315 20 30 FGEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCC2 ZINC000459756766 501709645 /nfs/dbraw/zinc/70/96/45/501709645.db2.gz KHTVQAMOBZHABQ-ZTFGCOKTSA-N 0 3 359.445 3.008 20 30 FGEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474238715 501756019 /nfs/dbraw/zinc/75/60/19/501756019.db2.gz JDYGAKDUGNFZTG-HXUWFJFHSA-N 0 3 373.460 3.315 20 30 FGEDHN Cc1cccc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1C ZINC000470721859 501782288 /nfs/dbraw/zinc/78/22/88/501782288.db2.gz FJVZXKPLOXXQBM-OAQYLSRUSA-N 0 3 372.472 3.206 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2cccc(Cl)c2)cc1 ZINC000470839315 501825135 /nfs/dbraw/zinc/82/51/35/501825135.db2.gz FDFMZKVSAJGASH-INIZCTEOSA-N 0 3 353.809 3.089 20 30 FGEDHN C[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)N(C)C ZINC000481619214 501834293 /nfs/dbraw/zinc/83/42/93/501834293.db2.gz BRQXXTVURFLVJY-CQSZACIVSA-N 0 3 370.428 3.348 20 30 FGEDHN C=CCSCCN[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481659521 501842272 /nfs/dbraw/zinc/84/22/72/501842272.db2.gz QEAVBYOPSWIKJN-CQSZACIVSA-N 0 3 362.948 3.208 20 30 FGEDHN COc1ccc(CNC(=O)CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481664815 501843938 /nfs/dbraw/zinc/84/39/38/501843938.db2.gz DQBLJUCVMFLOIP-NRFANRHFSA-N 0 3 363.461 3.240 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000470943898 501862851 /nfs/dbraw/zinc/86/28/51/501862851.db2.gz FGAARTFYTRJAIN-RVKKMQEKSA-N 0 3 351.356 3.191 20 30 FGEDHN CN(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000478102587 501881618 /nfs/dbraw/zinc/88/16/18/501881618.db2.gz OXGGNBYWKUFJMV-LBPRGKRZSA-N 0 3 355.348 3.382 20 30 FGEDHN Cn1c2cccc(F)c2nc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000478196346 501906242 /nfs/dbraw/zinc/90/62/42/501906242.db2.gz LPOMTHPKGZSMMD-UHFFFAOYSA-N 0 3 363.440 3.296 20 30 FGEDHN CNS(=O)(=O)c1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922251 501920325 /nfs/dbraw/zinc/92/03/25/501920325.db2.gz XTAFLDNPUQGNNE-HXUWFJFHSA-N 0 3 369.490 3.024 20 30 FGEDHN N#Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000482048935 501958113 /nfs/dbraw/zinc/95/81/13/501958113.db2.gz YWCFNQMBGZTGDB-UHFFFAOYSA-N 0 3 358.511 3.431 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000482090222 501971902 /nfs/dbraw/zinc/97/19/02/501971902.db2.gz RMELWSYHQBWAHP-UHFFFAOYSA-N 0 3 359.861 3.298 20 30 FGEDHN CN(C)C(=O)c1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464411036 501982298 /nfs/dbraw/zinc/98/22/98/501982298.db2.gz NURKOCLGEXDIJJ-CQSZACIVSA-N 0 3 361.323 3.292 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCC(=O)Nc1sccc1C#N ZINC000482152718 501991572 /nfs/dbraw/zinc/99/15/72/501991572.db2.gz AKHNYIFJRWBOAG-SFHVURJKSA-N 0 3 370.522 3.304 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2cnnc2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464466661 501998285 /nfs/dbraw/zinc/99/82/85/501998285.db2.gz IRWBEGVWUCFKQZ-CQSZACIVSA-N 0 3 357.295 3.171 20 30 FGEDHN COC(=O)c1cccc2c1CN(C(=O)C(C#N)CCc1ccccc1)CC2 ZINC000592884582 506292305 /nfs/dbraw/zinc/29/23/05/506292305.db2.gz GUIXCNXMHQSQDK-GOSISDBHSA-N 0 3 362.429 3.130 20 30 FGEDHN C=CCOc1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000461406872 502100124 /nfs/dbraw/zinc/10/01/24/502100124.db2.gz NHQLRYHXGPJXDK-UHFFFAOYSA-N 0 3 372.490 3.081 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000461443205 502116552 /nfs/dbraw/zinc/11/65/52/502116552.db2.gz GRSBVHOFCKQTFS-SFTDATJTSA-N 0 3 359.473 3.461 20 30 FGEDHN N#Cc1cc(N[C@H]2CCN(Cc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000461461107 502123789 /nfs/dbraw/zinc/12/37/89/502123789.db2.gz RBXZBHWLBXJFLH-KRWDZBQOSA-N 0 3 373.416 3.123 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc4ccc(F)cc4[nH]3)C2=O)cc1 ZINC000486719453 502242821 /nfs/dbraw/zinc/24/28/21/502242821.db2.gz XBIYBMBCBNGAMH-LJQANCHMSA-N 0 3 362.408 3.464 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000475801642 502295791 /nfs/dbraw/zinc/29/57/91/502295791.db2.gz QMZSAMCLRYNKAW-UHFFFAOYSA-N 0 3 357.498 3.107 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000472308874 502308780 /nfs/dbraw/zinc/30/87/80/502308780.db2.gz BDQVSOAHWHHQIG-LPHOPBHVSA-N 0 3 350.422 3.134 20 30 FGEDHN COc1cc(OC)c(C(=O)C(C#N)c2cnc3ccccc3n2)cc1OC ZINC000483231946 502320620 /nfs/dbraw/zinc/32/06/20/502320620.db2.gz RXCFGCPZEYVMLJ-ZDUSSCGKSA-N 0 3 363.373 3.146 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000469250573 502350368 /nfs/dbraw/zinc/35/03/68/502350368.db2.gz MYGUOVVCPTYUDS-NEPJUHHUSA-N 0 3 350.260 3.051 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(Br)cc1)C(=O)NC1(C#N)CCC1 ZINC000469250578 502350497 /nfs/dbraw/zinc/35/04/97/502350497.db2.gz MYGUOVVCPTYUDS-VXGBXAGGSA-N 0 3 350.260 3.051 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1)C(C)C ZINC000476026702 502362199 /nfs/dbraw/zinc/36/21/99/502362199.db2.gz CGOJLBNNDCGDJB-PXNSSMCTSA-N 0 3 372.557 3.453 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000476026702 502362203 /nfs/dbraw/zinc/36/22/03/502362203.db2.gz CGOJLBNNDCGDJB-PXNSSMCTSA-N 0 3 372.557 3.453 20 30 FGEDHN Cc1ccc([C@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000469620541 502483014 /nfs/dbraw/zinc/48/30/14/502483014.db2.gz JIJKFTUFLZUJAE-DNVCBOLYSA-N 0 3 370.474 3.072 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000483812002 502499308 /nfs/dbraw/zinc/49/93/08/502499308.db2.gz BAOWOLKDNZRRDG-MRXNPFEDSA-N 0 3 361.405 3.047 20 30 FGEDHN CC(C)N1CC[C@@H](NCc2cc(C#N)n(C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000480270236 502520717 /nfs/dbraw/zinc/52/07/17/502520717.db2.gz YLEZUUZIUACENG-WOJBJXKFSA-N 0 3 358.436 3.489 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CSC)C1)C(C)C ZINC000487835664 502543267 /nfs/dbraw/zinc/54/32/67/502543267.db2.gz LVAAUASCDZKGOW-MSOLQXFVSA-N 0 3 353.576 3.470 20 30 FGEDHN C=CC[C@@H](CC)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000466376364 502552091 /nfs/dbraw/zinc/55/20/91/502552091.db2.gz HETMMCFNLCZMEB-ZIFCJYIRSA-N 0 3 351.535 3.262 20 30 FGEDHN CC(C)[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000487947351 502574499 /nfs/dbraw/zinc/57/44/99/502574499.db2.gz LHCPARCQCOECOU-KRWDZBQOSA-N 0 3 374.554 3.099 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000466596064 502618625 /nfs/dbraw/zinc/61/86/25/502618625.db2.gz IRADQRJVIHSQRF-HZPDHXFCSA-N 0 3 359.474 3.149 20 30 FGEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000484308475 502621481 /nfs/dbraw/zinc/62/14/81/502621481.db2.gz GUSCPSRHZJKQRZ-HXUWFJFHSA-N 0 3 362.477 3.019 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1n1cccn1)C(C)C ZINC000470037026 502636771 /nfs/dbraw/zinc/63/67/71/502636771.db2.gz XFDGGNWPIGRMFV-XUVXKRRUSA-N 0 3 373.545 3.365 20 30 FGEDHN N#CCCCOc1cccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000463027065 502664401 /nfs/dbraw/zinc/66/44/01/502664401.db2.gz DXZGGZSUNPGKKT-KRWDZBQOSA-N 0 3 367.424 3.403 20 30 FGEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 ZINC000488461626 502721197 /nfs/dbraw/zinc/72/11/97/502721197.db2.gz GYQWLMGAOBWVOP-NHCUHLMSSA-N 0 3 363.461 3.409 20 30 FGEDHN N#C[C@@H]1CCC[C@H](NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000463298082 502748203 /nfs/dbraw/zinc/74/82/03/502748203.db2.gz UNASCDOEKXTFNS-YPMHNXCESA-N 0 3 351.244 3.392 20 30 FGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000473992471 502774158 /nfs/dbraw/zinc/77/41/58/502774158.db2.gz DVFVTYSJEINYNL-CZUORRHYSA-N 0 3 364.287 3.068 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H](COC)C2)cc1 ZINC000467119035 502792642 /nfs/dbraw/zinc/79/26/42/502792642.db2.gz QFPPZTMOXVBQAV-GOSISDBHSA-N 0 3 373.497 3.080 20 30 FGEDHN N#Cc1cc2cccnc2nc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000596280101 506338242 /nfs/dbraw/zinc/33/82/42/506338242.db2.gz AROWTONXSGMSBF-AZUAARDMSA-N 0 3 355.445 3.212 20 30 FGEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c[nH]1 ZINC000496359754 502886295 /nfs/dbraw/zinc/88/62/95/502886295.db2.gz UFIYAUOMUHKYGW-JTQLQIEISA-N 0 3 358.304 3.036 20 30 FGEDHN C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H](c1ccccc1)N(C)C ZINC000505593053 502943224 /nfs/dbraw/zinc/94/32/24/502943224.db2.gz WRFRUSTYYAMQBC-HRAATJIYSA-N 0 3 373.460 3.165 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1C#N ZINC000505701135 502969282 /nfs/dbraw/zinc/96/92/82/502969282.db2.gz MYPPALGOZKBBFB-HXUWFJFHSA-N 0 3 370.522 3.110 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(OC)n1 ZINC000497487321 502970402 /nfs/dbraw/zinc/97/04/02/502970402.db2.gz FYTNSYNETZBBHJ-UHFFFAOYSA-N 0 3 373.526 3.188 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(F)c1 ZINC000506002207 503027190 /nfs/dbraw/zinc/02/71/90/503027190.db2.gz MQEUBBNAQXYJAC-QGZVFWFLSA-N 0 3 365.387 3.200 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000596299799 506348134 /nfs/dbraw/zinc/34/81/34/506348134.db2.gz PJHPZORJMKPIDW-QGZVFWFLSA-N 0 3 364.559 3.073 20 30 FGEDHN C[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C ZINC000501772345 503075982 /nfs/dbraw/zinc/07/59/82/503075982.db2.gz FSORBEYEZKWPCD-GJZGRUSLSA-N 0 3 352.400 3.151 20 30 FGEDHN CC(C#N)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000510389233 503104684 /nfs/dbraw/zinc/10/46/84/503104684.db2.gz OPEYWMKBYCOXAP-HNNXBMFYSA-N 0 3 369.415 3.358 20 30 FGEDHN N#CCSCCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510607540 503154458 /nfs/dbraw/zinc/15/44/58/503154458.db2.gz HBVHXGHYYSROOC-IBGZPJMESA-N 0 3 359.539 3.237 20 30 FGEDHN C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCC[C@@H](C)C1 ZINC000502274801 503172499 /nfs/dbraw/zinc/17/24/99/503172499.db2.gz HQCUKENWXGNQOH-QZTJIDSGSA-N 0 3 366.509 3.477 20 30 FGEDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000498380157 503173857 /nfs/dbraw/zinc/17/38/57/503173857.db2.gz BUORJIZABBXFOH-LEWJYISDSA-N 0 3 363.461 3.142 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCc2cc(C#N)ccc2F)CCN1Cc1ccccc1 ZINC000498385360 503175705 /nfs/dbraw/zinc/17/57/05/503175705.db2.gz MQESOFCQSVUTBT-FOIQADDNSA-N 0 3 366.440 3.160 20 30 FGEDHN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)CC1 ZINC000514743814 503182921 /nfs/dbraw/zinc/18/29/21/503182921.db2.gz MHWHWUSVLUCTGY-UHFFFAOYSA-N 0 3 366.513 3.251 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCCc2cccc(C#N)c2)N(C)C)cc1 ZINC000514807401 503198259 /nfs/dbraw/zinc/19/82/59/503198259.db2.gz QRWSNVNYOKUALE-OAQYLSRUSA-N 0 3 364.493 3.265 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000507253978 503261385 /nfs/dbraw/zinc/26/13/85/503261385.db2.gz TUVTZMBEVLSYGO-UPJWGTAASA-N 0 3 357.483 3.286 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000507272168 503265378 /nfs/dbraw/zinc/26/53/78/503265378.db2.gz KIAHRFGTWRLVFK-CYBMUJFWSA-N 0 3 369.918 3.000 20 30 FGEDHN C=CCc1ccc(OCC(=O)N(CCN(C)C)C2CCCC2)c(OC)c1 ZINC000502804134 503276522 /nfs/dbraw/zinc/27/65/22/503276522.db2.gz BCABUKDSIPAFKM-UHFFFAOYSA-N 0 3 360.498 3.135 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000511193428 503277089 /nfs/dbraw/zinc/27/70/89/503277089.db2.gz NFIVQYDWUJFLNK-SFHVURJKSA-N 0 3 356.514 3.458 20 30 FGEDHN C=CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccco1 ZINC000491393427 503303560 /nfs/dbraw/zinc/30/35/60/503303560.db2.gz DGNPNRKOABXZFF-UHFFFAOYSA-N 0 3 371.393 3.217 20 30 FGEDHN Cc1ccc(C2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cn1 ZINC000611941919 506368414 /nfs/dbraw/zinc/36/84/14/506368414.db2.gz CCZZZANIVPNWHJ-OAQYLSRUSA-N 0 3 365.477 3.075 20 30 FGEDHN C=CCN1CC[C@@H](N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)C1=O ZINC000499521816 503423877 /nfs/dbraw/zinc/42/38/77/503423877.db2.gz IEIBIYJWOOHQLR-QGZVFWFLSA-N 0 3 356.466 3.337 20 30 FGEDHN CN(C)[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)Cc1ccccc1 ZINC000508090410 503428622 /nfs/dbraw/zinc/42/86/22/503428622.db2.gz XKJBKIFTBWGCLR-GOSISDBHSA-N 0 3 367.497 3.409 20 30 FGEDHN CCC[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CCN1CCOC ZINC000499653392 503450294 /nfs/dbraw/zinc/45/02/94/503450294.db2.gz AFEBMTNYBYTTCM-INIZCTEOSA-N 0 3 374.435 3.322 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1(C(F)(F)F)CCC1 ZINC000602991478 506375202 /nfs/dbraw/zinc/37/52/02/506375202.db2.gz DFKPUVNODUQORX-UHFFFAOYSA-N 0 3 368.403 3.116 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@]2(C)CCO[C@H]2C)c1C#N ZINC000494272211 503517367 /nfs/dbraw/zinc/51/73/67/503517367.db2.gz XHKVCNMLULHOBY-YWZLYKJASA-N 0 3 358.486 3.187 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000504070493 503517753 /nfs/dbraw/zinc/51/77/53/503517753.db2.gz QXTJSRLWXOMRQR-UHFFFAOYSA-N 0 3 369.509 3.221 20 30 FGEDHN C=CCC[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1ccccc1 ZINC000512326215 503520438 /nfs/dbraw/zinc/52/04/38/503520438.db2.gz YXMKSJSOWOHAAF-IBGZPJMESA-N 0 3 353.466 3.459 20 30 FGEDHN COCCOc1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000500069064 503545184 /nfs/dbraw/zinc/54/51/84/503545184.db2.gz ZZGMKMZULFYHNB-ZDUSSCGKSA-N 0 3 365.311 3.011 20 30 FGEDHN CN1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC12CCCCC2 ZINC000516659993 503563099 /nfs/dbraw/zinc/56/30/99/503563099.db2.gz GKQDXWXBWQTVOF-FQEVSTJZSA-N 0 3 366.509 3.004 20 30 FGEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000500232511 503584242 /nfs/dbraw/zinc/58/42/42/503584242.db2.gz WOZBNIOSNSGADT-NSHDSACASA-N 0 3 356.348 3.015 20 30 FGEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000494741394 503603070 /nfs/dbraw/zinc/60/30/70/503603070.db2.gz WZNKJJYYRQBQHM-DQLDELGASA-N 0 3 363.461 3.419 20 30 FGEDHN COc1cc(CN[C@H](CCn2cncn2)c2ccc(C)cc2)ccc1C#N ZINC000516896366 503611330 /nfs/dbraw/zinc/61/13/30/503611330.db2.gz ITWISUXIXDCZRB-HXUWFJFHSA-N 0 3 361.449 3.388 20 30 FGEDHN C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(CC)CC1 ZINC000516997405 503640413 /nfs/dbraw/zinc/64/04/13/503640413.db2.gz FHGVSPGJLUBOTP-UHFFFAOYSA-N 0 3 369.513 3.192 20 30 FGEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1OC ZINC000529720790 503681657 /nfs/dbraw/zinc/68/16/57/503681657.db2.gz UYQKHVFTQJBDRN-SFHVURJKSA-N 0 3 358.482 3.397 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000495218888 503702014 /nfs/dbraw/zinc/70/20/14/503702014.db2.gz BXUMREPSYRJTMO-GFCCVEGCSA-N 0 3 369.306 3.349 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)n1cnc2ccccc21)C(C)C ZINC000533043378 503711289 /nfs/dbraw/zinc/71/12/89/503711289.db2.gz TVIZTANUXIFDQL-PXNSSMCTSA-N 0 3 354.498 3.412 20 30 FGEDHN C=CCOc1cccc(CNC[C@@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000517525376 503763525 /nfs/dbraw/zinc/76/35/25/503763525.db2.gz MEGLIISHUBKLFN-FQEVSTJZSA-N 0 3 371.550 3.391 20 30 FGEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000537022467 503779618 /nfs/dbraw/zinc/77/96/18/503779618.db2.gz MJHFHDIUXUUCLV-SJLPKXTDSA-N 0 3 354.450 3.436 20 30 FGEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000537022465 503780309 /nfs/dbraw/zinc/78/03/09/503780309.db2.gz MJHFHDIUXUUCLV-AEFFLSMTSA-N 0 3 354.450 3.436 20 30 FGEDHN CCN(C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000517622067 503787668 /nfs/dbraw/zinc/78/76/68/503787668.db2.gz MUDZQYMBQBLPAH-APWZRJJASA-N 0 3 354.450 3.390 20 30 FGEDHN N#Cc1cccc(CC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000527485635 503806853 /nfs/dbraw/zinc/80/68/53/503806853.db2.gz MYKJZTMYTAXUDY-UHFFFAOYSA-N 0 3 365.399 3.022 20 30 FGEDHN CC[C@H]1CCCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000540548311 503813379 /nfs/dbraw/zinc/81/33/79/503813379.db2.gz DIDUQKLOGRLRSB-ROUUACIJSA-N 0 3 374.554 3.112 20 30 FGEDHN C=CCNC(=O)CN1CCN(C[C@@H](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000537206819 503842489 /nfs/dbraw/zinc/84/24/89/503842489.db2.gz XGKRYRJCYRHLSQ-IBGZPJMESA-N 0 3 371.569 3.083 20 30 FGEDHN N#Cc1ccccc1OC1CCC(NC(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000546791848 503881315 /nfs/dbraw/zinc/88/13/15/503881315.db2.gz YOHCKDZKTRHNKU-GRERDSQWSA-N 0 3 367.493 3.239 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000533545936 503883006 /nfs/dbraw/zinc/88/30/06/503883006.db2.gz LSLAZABCMWVECC-ZCNNSNEGSA-N 0 3 369.509 3.297 20 30 FGEDHN N#Cc1ccccc1COc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000546860307 503905907 /nfs/dbraw/zinc/90/59/07/503905907.db2.gz OTALGSOAUHCDHB-IBGZPJMESA-N 0 3 354.369 3.417 20 30 FGEDHN CSc1ccccc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000537421610 503910907 /nfs/dbraw/zinc/91/09/07/503910907.db2.gz ACPVLUPMMMBXER-UHFFFAOYSA-N 0 3 367.518 3.413 20 30 FGEDHN Cn1cc(CNC[C@]2(C)COc3ccccc3O2)c(-c2ccc(C#N)cc2)n1 ZINC000527740293 503921846 /nfs/dbraw/zinc/92/18/46/503921846.db2.gz ZLUMKRGLGQFOCG-JOCHJYFZSA-N 0 3 374.444 3.278 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000540886152 503925029 /nfs/dbraw/zinc/92/50/29/503925029.db2.gz NWPBEZHRFDJZPV-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN COc1cc(CN2C[C@H](O)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000530360860 503937370 /nfs/dbraw/zinc/93/73/70/503937370.db2.gz XBXRWMJSNFWXTN-DNVCBOLYSA-N 0 3 352.434 3.101 20 30 FGEDHN N#CCC1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000540990475 503967708 /nfs/dbraw/zinc/96/77/08/503967708.db2.gz PNCAJHVKHILOGV-UHFFFAOYSA-N 0 3 354.498 3.029 20 30 FGEDHN CCc1cc(N2CCN(c3c(C#N)c(C)nn3C)CC2)c2ccccc2n1 ZINC000530464684 503974326 /nfs/dbraw/zinc/97/43/26/503974326.db2.gz RHYSOAUOJYKJED-UHFFFAOYSA-N 0 3 360.465 3.037 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cc3c(c(Br)c2)OCO3)nc(C)n1 ZINC000518507807 504003896 /nfs/dbraw/zinc/00/38/96/504003896.db2.gz RDYHOSMRUWJQMZ-LLVKDONJSA-N 0 3 374.194 3.075 20 30 FGEDHN Cc1nc(SCC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c(C#N)c(C)c1C ZINC000518598957 504025165 /nfs/dbraw/zinc/02/51/65/504025165.db2.gz IELXSLFLUCWIGD-KBPBESRZSA-N 0 3 374.554 3.350 20 30 FGEDHN N#Cc1cccc(CC(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1 ZINC000530673213 504048870 /nfs/dbraw/zinc/04/88/70/504048870.db2.gz ZOTHWVJNPVHYHH-UHFFFAOYSA-N 0 3 359.473 3.150 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1)OCC ZINC000534421098 504137768 /nfs/dbraw/zinc/13/77/68/504137768.db2.gz IMFJXUXNLHUSAN-UYAOXDASSA-N 0 3 374.525 3.374 20 30 FGEDHN CC1(C)CN(C[C@H](O)COc2ccccc2C#N)CC[C@@H]1C(F)(F)F ZINC000528473827 504238523 /nfs/dbraw/zinc/23/85/23/504238523.db2.gz IMJUFNXRTZDDLF-HOCLYGCPSA-N 0 3 356.388 3.208 20 30 FGEDHN COc1cc(CN(C)C2CC(O)C2)ccc1OCc1cccc(C#N)c1 ZINC000544746838 504243482 /nfs/dbraw/zinc/24/34/82/504243482.db2.gz ZUWXUPBXONVDLT-UHFFFAOYSA-N 0 3 352.434 3.101 20 30 FGEDHN CC#CCCNC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000541772742 504249391 /nfs/dbraw/zinc/24/93/91/504249391.db2.gz KKOMYBBZVMXCNL-LJQANCHMSA-N 0 3 365.481 3.173 20 30 FGEDHN COc1cccc([C@@H](CNC(=O)Cc2cccc(C#N)c2)N2CCCC2)c1 ZINC000531396782 504293373 /nfs/dbraw/zinc/29/33/73/504293373.db2.gz SYNRWLGSKZAUDS-OAQYLSRUSA-N 0 3 363.461 3.063 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1C#N ZINC000528770349 504372565 /nfs/dbraw/zinc/37/25/65/504372565.db2.gz YZBIXXPHFRXCJF-PEMDQYIBSA-N 0 3 372.513 3.432 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 ZINC000545231723 504409381 /nfs/dbraw/zinc/40/93/81/504409381.db2.gz CLFOQTFYZOUMRA-UHFFFAOYSA-N 0 3 370.522 3.260 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CNC1(CC(=O)OC)CCCC1 ZINC000548427283 504442495 /nfs/dbraw/zinc/44/24/95/504442495.db2.gz MMMLAUDSRJLSEX-UHFFFAOYSA-N 0 3 362.495 3.369 20 30 FGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000528922400 504451024 /nfs/dbraw/zinc/45/10/24/504451024.db2.gz ZWMLGMCUTSSZBK-WLVIATGPSA-N 0 3 352.793 3.186 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000528932027 504457327 /nfs/dbraw/zinc/45/73/27/504457327.db2.gz VMKUXSIMPAKFLL-IBGZPJMESA-N 0 3 370.497 3.131 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000539337751 504533810 /nfs/dbraw/zinc/53/38/10/504533810.db2.gz VFTUHEWEKZONBH-SJLPKXTDSA-N 0 3 351.450 3.212 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H]2c2cccc(OCC)c2)CC1 ZINC000539391166 504553205 /nfs/dbraw/zinc/55/32/05/504553205.db2.gz LYTLPUDBKSDISY-UXHICEINSA-N 0 3 357.498 3.281 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000542728660 504590163 /nfs/dbraw/zinc/59/01/63/504590163.db2.gz OKDLMYKRUCCQLK-QFIPXVFZSA-N 0 3 355.441 3.411 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000521114418 504652569 /nfs/dbraw/zinc/65/25/69/504652569.db2.gz BJVPGZZKSBVETJ-IAGOWNOFSA-N 0 3 361.873 3.478 20 30 FGEDHN N#Cc1cccc(OCCN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000542912965 504654623 /nfs/dbraw/zinc/65/46/23/504654623.db2.gz ZVEUUNHPVATQAS-QGZVFWFLSA-N 0 3 361.239 3.023 20 30 FGEDHN C[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000532571820 504695896 /nfs/dbraw/zinc/69/58/96/504695896.db2.gz HTKPZXLRVFLDGP-CABCVRRESA-N 0 3 352.400 3.294 20 30 FGEDHN C[C@@H]1CN(CC2CCN(Cc3cn4ccccc4c3C#N)CC2)C[C@H](C)O1 ZINC000549401092 504810148 /nfs/dbraw/zinc/81/01/48/504810148.db2.gz IMSGGGWSZOCVTA-HDICACEKSA-N 0 3 366.509 3.132 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2cccc(OCCCC#N)c2)[C@@H]1n1cccn1 ZINC000559360420 504846955 /nfs/dbraw/zinc/84/69/55/504846955.db2.gz DCKMTQFYVWKWAC-ZCNNSNEGSA-N 0 3 354.454 3.074 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2sc(-c3c(C)noc3C)nc2C)CC1 ZINC000562638552 504890294 /nfs/dbraw/zinc/89/02/94/504890294.db2.gz GKIUVBSYUKJWIS-UHFFFAOYSA-N 0 3 374.510 3.494 20 30 FGEDHN CCc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)N(C)C)cc1 ZINC000559591991 504893311 /nfs/dbraw/zinc/89/33/11/504893311.db2.gz FBHHOTKDSSUOIW-GOSISDBHSA-N 0 3 353.426 3.326 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000565478760 504899939 /nfs/dbraw/zinc/89/99/39/504899939.db2.gz KZXLBKYVHXESPJ-VQTJNVASSA-N 0 3 368.502 3.333 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000562735801 504927004 /nfs/dbraw/zinc/92/70/04/504927004.db2.gz VVTSIVCCQDZSCX-WBVHZDCISA-N 0 3 357.479 3.380 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N[C@@H](C#N)C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000560165782 505008263 /nfs/dbraw/zinc/00/82/63/505008263.db2.gz HOFFNMQVQSCFLO-KFWWJZLASA-N 0 3 359.436 3.484 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000560165792 505008270 /nfs/dbraw/zinc/00/82/70/505008270.db2.gz HOFFNMQVQSCFLO-RBSFLKMASA-N 0 3 359.436 3.484 20 30 FGEDHN N#Cc1cccc(C2(NC[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)c1 ZINC000560165625 505008346 /nfs/dbraw/zinc/00/83/46/505008346.db2.gz GMUGIQRZMDVSMO-JOCHJYFZSA-N 0 3 361.489 3.428 20 30 FGEDHN Cc1cc(C)cc(C[C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000562995952 505013605 /nfs/dbraw/zinc/01/36/05/505013605.db2.gz NAFBQDQKWUINDK-QGZVFWFLSA-N 0 3 356.491 3.170 20 30 FGEDHN Cc1ccc(CN(C)C)cc1NS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000563136555 505058351 /nfs/dbraw/zinc/05/83/51/505058351.db2.gz WOICAWNZWUNKIA-UHFFFAOYSA-N 0 3 357.479 3.065 20 30 FGEDHN CCN(Cc1ccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)cc1)C1CC1 ZINC000563168371 505065098 /nfs/dbraw/zinc/06/50/98/505065098.db2.gz JXLJLWYNORLCNK-UHFFFAOYSA-N 0 3 374.444 3.141 20 30 FGEDHN N#Cc1cscc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000557224997 505095566 /nfs/dbraw/zinc/09/55/66/505095566.db2.gz GOMKOFYOOWTSEE-AEFFLSMTSA-N 0 3 351.475 3.214 20 30 FGEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000554272072 505130966 /nfs/dbraw/zinc/13/09/66/505130966.db2.gz GHKURLQCXDTIBJ-CHWSQXEVSA-N 0 3 353.388 3.349 20 30 FGEDHN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1nccc2ccccc21 ZINC000560595501 505138198 /nfs/dbraw/zinc/13/81/98/505138198.db2.gz PQTGPORYYUVSJF-QGZVFWFLSA-N 0 3 356.385 3.468 20 30 FGEDHN CN(C)C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000563472446 505150444 /nfs/dbraw/zinc/15/04/44/505150444.db2.gz MMBBRQRDCZTPTN-SFHVURJKSA-N 0 3 357.454 3.209 20 30 FGEDHN CCOc1cccc([C@@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000557500746 505151444 /nfs/dbraw/zinc/15/14/44/505151444.db2.gz CSFWLPXNDHVNFL-VQIMIIECSA-N 0 3 354.450 3.242 20 30 FGEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000551248725 505185421 /nfs/dbraw/zinc/18/54/21/505185421.db2.gz PQQBDCAUAFOEDX-VMUDFCTBSA-N 0 3 359.436 3.484 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC000554543195 505202641 /nfs/dbraw/zinc/20/26/41/505202641.db2.gz MWHUNIZXKJRZOS-JCNLHEQBSA-N 0 3 361.461 3.030 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)s1 ZINC000566591474 505215210 /nfs/dbraw/zinc/21/52/10/505215210.db2.gz ZOJDDVHFLFROGJ-HSMVNMDESA-N 0 3 369.494 3.212 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000560958501 505216445 /nfs/dbraw/zinc/21/64/45/505216445.db2.gz PBODUHLFXZRIBC-HXUWFJFHSA-N 0 3 357.498 3.364 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000557789186 505231534 /nfs/dbraw/zinc/23/15/34/505231534.db2.gz UNHXZKSPSKXTBI-MSOLQXFVSA-N 0 3 371.525 3.189 20 30 FGEDHN CS[C@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@@H]1N(C)C ZINC000566872726 505296863 /nfs/dbraw/zinc/29/68/63/505296863.db2.gz WSRGNCURCJJEHG-STQMWFEESA-N 0 3 374.735 3.456 20 30 FGEDHN COc1ccc(C[C@](C)(O)CN[C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000555002547 505325720 /nfs/dbraw/zinc/32/57/20/505325720.db2.gz IFPNGJCDFYVWKS-SZNDQCEHSA-N 0 3 372.440 3.359 20 30 FGEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000561548110 505374740 /nfs/dbraw/zinc/37/47/40/505374740.db2.gz QGQPMXZWOFCCEH-UHFFFAOYSA-N 0 3 369.918 3.098 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000555241163 505388405 /nfs/dbraw/zinc/38/84/05/505388405.db2.gz UJRMSKPVSCUDSO-SFHVURJKSA-N 0 3 366.513 3.289 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000558450666 505393587 /nfs/dbraw/zinc/39/35/87/505393587.db2.gz KHFKIWLVAJGXNP-QZTJIDSGSA-N 0 3 369.513 3.270 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000558455937 505395019 /nfs/dbraw/zinc/39/50/19/505395019.db2.gz NLMMGPAOYSCTKF-ROUUACIJSA-N 0 3 369.513 3.100 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000552214845 505431221 /nfs/dbraw/zinc/43/12/21/505431221.db2.gz OQEYJSPBJXIRIY-FXAWDEMLSA-N 0 3 370.424 3.135 20 30 FGEDHN CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 ZINC000567397073 505450874 /nfs/dbraw/zinc/45/08/74/505450874.db2.gz MCVGZLIYLVAIFN-UHFFFAOYSA-N 0 3 350.470 3.072 20 30 FGEDHN C=CCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552321375 505459212 /nfs/dbraw/zinc/45/92/12/505459212.db2.gz PBKOTZCHIJTOFR-NSHDSACASA-N 0 3 351.299 3.216 20 30 FGEDHN Cc1ccc(SCCNC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000558751050 505483121 /nfs/dbraw/zinc/48/31/21/505483121.db2.gz ZEHRQCLGACTAOU-GOSISDBHSA-N 0 3 356.491 3.183 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000552497319 505503592 /nfs/dbraw/zinc/50/35/92/505503592.db2.gz GJCGSWNJPRSZMT-CRAIPNDOSA-N 0 3 358.438 3.264 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000567622843 505517024 /nfs/dbraw/zinc/51/70/24/505517024.db2.gz ZTBDLDIHPYJGOH-DNVCBOLYSA-N 0 3 351.450 3.265 20 30 FGEDHN CC(C)(CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1F ZINC000564849912 505538615 /nfs/dbraw/zinc/53/86/15/505538615.db2.gz YGONDZFEWILBDE-UHFFFAOYSA-N 0 3 360.454 3.038 20 30 FGEDHN COc1cc(CNC[C@H](O)COc2c(C)ccc(C)c2C)ccc1C#N ZINC000567708903 505544995 /nfs/dbraw/zinc/54/49/95/505544995.db2.gz ZLKXZWPLEHOEMH-IBGZPJMESA-N 0 3 354.450 3.022 20 30 FGEDHN CC(C)(CCC#N)CNCCS(=O)(=O)c1cccc(Br)c1 ZINC000567708912 505545448 /nfs/dbraw/zinc/54/54/48/505545448.db2.gz ZXSBYFITHOUETC-UHFFFAOYSA-N 0 3 373.316 3.142 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCCN(C(C)C)CC1 ZINC000564966047 505564102 /nfs/dbraw/zinc/56/41/02/505564102.db2.gz WDIUDIBSHNTTFL-UHFFFAOYSA-N 0 3 360.531 3.207 20 30 FGEDHN CC(C)(C)[C@H](COc1ccccc1F)NCc1cnc2c(C#N)cnn2c1 ZINC000564988499 505565807 /nfs/dbraw/zinc/56/58/07/505565807.db2.gz AITFSAVBABTFLQ-SFHVURJKSA-N 0 3 367.428 3.323 20 30 FGEDHN CCN(C[C@@H](O)COc1ccccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000599270153 506391847 /nfs/dbraw/zinc/39/18/47/506391847.db2.gz AURVVSWILKQGLR-QFBILLFUSA-N 0 3 354.450 3.390 20 30 FGEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(C)C1 ZINC000582763603 506405957 /nfs/dbraw/zinc/40/59/57/506405957.db2.gz MDLCNCAIBILUFI-OAQYLSRUSA-N 0 3 361.489 3.439 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000608070649 506406336 /nfs/dbraw/zinc/40/63/36/506406336.db2.gz FLVKSTKDTUUFMT-FCEUIQTBSA-N 0 3 362.473 3.498 20 30 FGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000599348413 506423180 /nfs/dbraw/zinc/42/31/80/506423180.db2.gz KJLZWOJPYHUCFA-ZIAGYGMSSA-N 0 3 354.397 3.010 20 30 FGEDHN CCOc1ccccc1[C@H](CC)NC[C@@H](O)COc1ccccc1C#N ZINC000599351105 506424649 /nfs/dbraw/zinc/42/46/49/506424649.db2.gz XJMCNKKRQQKMJO-MJGOQNOKSA-N 0 3 354.450 3.438 20 30 FGEDHN CC(C)(NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(Cl)c1F ZINC000599372868 506432329 /nfs/dbraw/zinc/43/23/29/506432329.db2.gz OBMBJZAXXSSPFY-ZDUSSCGKSA-N 0 3 354.853 3.375 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516861 506483535 /nfs/dbraw/zinc/48/35/35/506483535.db2.gz YIFNROWGRZUTRG-SJORKVTESA-N 0 3 364.436 3.216 20 30 FGEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599581836 506508496 /nfs/dbraw/zinc/50/84/96/506508496.db2.gz KOAZMSZRXNYENX-IAGOWNOFSA-N 0 3 350.503 3.387 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589787 506517070 /nfs/dbraw/zinc/51/70/70/506517070.db2.gz NUEBXQSIFCCMMG-RDJZCZTQSA-N 0 3 371.481 3.187 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000583021276 506545461 /nfs/dbraw/zinc/54/54/61/506545461.db2.gz OHVLBZNZGAYZRU-NBOOPKSLSA-N 0 3 363.527 3.021 20 30 FGEDHN C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000612368926 506547773 /nfs/dbraw/zinc/54/77/73/506547773.db2.gz OVLSPEKIWNPWIX-GCJKJVERSA-N 0 3 353.510 3.482 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000596707689 506552097 /nfs/dbraw/zinc/55/20/97/506552097.db2.gz JINDLBTWOFPCCW-GOSISDBHSA-N 0 3 372.538 3.435 20 30 FGEDHN N#CC1(CNC(=O)NCC2(N3CCSCC3)CCCCC2)CCCC1 ZINC000593341104 506556706 /nfs/dbraw/zinc/55/67/06/506556706.db2.gz LQHHBPGKSXCSGQ-UHFFFAOYSA-N 0 3 364.559 3.121 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1OCCc2ccccc21)C(C)C ZINC000603589060 506567815 /nfs/dbraw/zinc/56/78/15/506567815.db2.gz OXMCTQRUQHLMMA-LEWJYISDSA-N 0 3 371.525 3.298 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1(C#N)CCCC1 ZINC000593428049 506616015 /nfs/dbraw/zinc/61/60/15/506616015.db2.gz XHKNXPNQHFGQJT-SFHVURJKSA-N 0 3 354.498 3.376 20 30 FGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000596845245 506633392 /nfs/dbraw/zinc/63/33/92/506633392.db2.gz PSIWQBQWZPOSTH-QGZVFWFLSA-N 0 3 354.498 3.353 20 30 FGEDHN CCN(C(=O)CC1(C#N)CCOCC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000596886441 506657299 /nfs/dbraw/zinc/65/72/99/506657299.db2.gz IXJRTSMMBZZXNJ-ICSRJNTNSA-N 0 3 369.509 3.381 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000589920913 506679264 /nfs/dbraw/zinc/67/92/64/506679264.db2.gz ASGKCAHKLAIVHG-ROUUACIJSA-N 0 3 356.853 3.305 20 30 FGEDHN CC(C)O[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000593661835 506719016 /nfs/dbraw/zinc/71/90/16/506719016.db2.gz YUHZYCXAHVISRC-IBGZPJMESA-N 0 3 353.470 3.248 20 30 FGEDHN N#Cc1csc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000593669495 506720728 /nfs/dbraw/zinc/72/07/28/506720728.db2.gz QWNQFKSQAMRZRQ-VQTJNVASSA-N 0 3 353.491 3.095 20 30 FGEDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000597001036 506725720 /nfs/dbraw/zinc/72/57/20/506725720.db2.gz PPNFYGKUDDDVJS-DBXWQHBBSA-N 0 3 353.510 3.315 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CN(C)C ZINC000604147733 506727338 /nfs/dbraw/zinc/72/73/38/506727338.db2.gz CYRQEXMHAALLOT-NRFANRHFSA-N 0 3 365.477 3.340 20 30 FGEDHN COCCN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C(C)(C)C1 ZINC000593694140 506735767 /nfs/dbraw/zinc/73/57/67/506735767.db2.gz WLGJULLIXRRMMC-UHFFFAOYSA-N 0 3 355.404 3.120 20 30 FGEDHN CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)C(C#N)CCc1ccccc1 ZINC000600051395 506757622 /nfs/dbraw/zinc/75/76/22/506757622.db2.gz ULHULAWBWPNFRK-CQSZACIVSA-N 0 3 354.410 3.076 20 30 FGEDHN N#CC(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccncn1 ZINC000583412226 506764665 /nfs/dbraw/zinc/76/46/65/506764665.db2.gz WEGMWHJZTBFQTQ-QGZVFWFLSA-N 0 3 360.348 3.358 20 30 FGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)Cc1ccc(CN(C)C)cc1 ZINC000609029795 506765056 /nfs/dbraw/zinc/76/50/56/506765056.db2.gz AAKIWAZIEYOYHZ-UHFFFAOYSA-N 0 3 350.466 3.080 20 30 FGEDHN COc1ccc(CN(C)C)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000609126455 506783544 /nfs/dbraw/zinc/78/35/44/506783544.db2.gz QABXLOXZWGOQTQ-UHFFFAOYSA-N 0 3 355.463 3.359 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609194934 506810232 /nfs/dbraw/zinc/81/02/32/506810232.db2.gz RUZWEMSCQLYMAD-SFHVURJKSA-N 0 3 372.415 3.456 20 30 FGEDHN C[C@@]1(CNC(=O)C(C#N)CCc2ccccc2)COc2ccccc2O1 ZINC000600173441 506821736 /nfs/dbraw/zinc/82/17/36/506821736.db2.gz PKYATPUYDJYKRH-DYESRHJHSA-N 0 3 350.418 3.105 20 30 FGEDHN CCOC(=O)c1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)[nH]c1C ZINC000600209688 506847167 /nfs/dbraw/zinc/84/71/67/506847167.db2.gz SYJOVYDBVKTXDE-UHFFFAOYSA-N 0 3 367.449 3.167 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)F)nc1 ZINC000593973100 506860594 /nfs/dbraw/zinc/86/05/94/506860594.db2.gz JIXWZNQSMUJQNZ-UHFFFAOYSA-N 0 3 358.392 3.095 20 30 FGEDHN COC(=O)[C@@H](C)CN(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000604540467 506866857 /nfs/dbraw/zinc/86/68/57/506866857.db2.gz DTLXRRLPRFACDC-KRWDZBQOSA-N 0 3 352.434 3.248 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000593991737 506870612 /nfs/dbraw/zinc/87/06/12/506870612.db2.gz KFXLSCXDIOWWPE-VQIMIIECSA-N 0 3 363.461 3.093 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)C[C@H]1C ZINC000597422745 506944009 /nfs/dbraw/zinc/94/40/09/506944009.db2.gz QEZZUGGYKNOCEH-CVEARBPZSA-N 0 3 364.497 3.146 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C[C@@H]1CCOC1 ZINC000609631785 506954134 /nfs/dbraw/zinc/95/41/34/506954134.db2.gz XWEKDMOHCXZMEE-KRWDZBQOSA-N 0 3 372.513 3.389 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)C(C)C ZINC000594216943 507017258 /nfs/dbraw/zinc/01/72/58/507017258.db2.gz QNIGLBOWZHFEOQ-FQEVSTJZSA-N 0 3 352.482 3.282 20 30 FGEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000609841325 507020496 /nfs/dbraw/zinc/02/04/96/507020496.db2.gz PIAQBULBGDBACH-AWEZNQCLSA-N 0 3 357.454 3.358 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CN1Cc1ccccc1 ZINC000594227726 507024101 /nfs/dbraw/zinc/02/41/01/507024101.db2.gz DBYOZQBHNOWMGQ-IERDGZPVSA-N 0 3 360.461 3.246 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CN1Cc1ccccc1 ZINC000594227724 507024475 /nfs/dbraw/zinc/02/44/75/507024475.db2.gz DBYOZQBHNOWMGQ-HRAATJIYSA-N 0 3 360.461 3.246 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594238869 507034966 /nfs/dbraw/zinc/03/49/66/507034966.db2.gz JRBYTGCHHGPLMF-IIBYNOLFSA-N 0 3 360.461 3.104 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(c3ccccc3F)CC2)cc1 ZINC000609895426 507042450 /nfs/dbraw/zinc/04/24/50/507042450.db2.gz RLIHZRXIHMETAY-GOSISDBHSA-N 0 3 354.425 3.317 20 30 FGEDHN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C(C)C#N)CC2 ZINC000609919715 507050248 /nfs/dbraw/zinc/05/02/48/507050248.db2.gz FPPKHEFLDJXSBF-KPZWWZAWSA-N 0 3 356.447 3.399 20 30 FGEDHN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C(C)C#N)CC2 ZINC000609919716 507050486 /nfs/dbraw/zinc/05/04/86/507050486.db2.gz FPPKHEFLDJXSBF-KZULUSFZSA-N 0 3 356.447 3.399 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000590944539 507052537 /nfs/dbraw/zinc/05/25/37/507052537.db2.gz MKISOJOYDNIQBJ-BJLQDIEVSA-N 0 3 354.498 3.375 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCN(c2ccccc2)CC1 ZINC000613384221 507060843 /nfs/dbraw/zinc/06/08/43/507060843.db2.gz DZRHEDQFYSXORA-QFIPXVFZSA-N 0 3 366.505 3.367 20 30 FGEDHN CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H]1CN2CCC1CC2 ZINC000609989244 507062577 /nfs/dbraw/zinc/06/25/77/507062577.db2.gz MLBPYQYXUBGULQ-OAQYLSRUSA-N 0 3 360.461 3.468 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000597697746 507064699 /nfs/dbraw/zinc/06/46/99/507064699.db2.gz ZVLIAFWTNZBZEA-IAGOWNOFSA-N 0 3 369.490 3.017 20 30 FGEDHN Cc1[nH]c2c(cc(C)cc2CNC[C@H](O)COc2ccccc2C#N)c1C ZINC000600720652 507082233 /nfs/dbraw/zinc/08/22/33/507082233.db2.gz ISPCKAOWJWPFOK-IBGZPJMESA-N 0 3 363.461 3.494 20 30 FGEDHN C[C@H](CNC[C@H](O)COc1ccccc1C#N)Oc1cccc(Cl)c1 ZINC000600723341 507083957 /nfs/dbraw/zinc/08/39/57/507083957.db2.gz KVKPQPAEVWFZQE-PBHICJAKSA-N 0 3 360.841 3.008 20 30 FGEDHN Cc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)ccc1OCCN(C)C ZINC000597764496 507089468 /nfs/dbraw/zinc/08/94/68/507089468.db2.gz MNIUUJCBRLALBD-UHFFFAOYSA-N 0 3 359.376 3.338 20 30 FGEDHN CC(C)[C@H](CNC(=O)C(C#N)CCc1ccccc1)C(=O)OC(C)(C)C ZINC000594392238 507109549 /nfs/dbraw/zinc/10/95/49/507109549.db2.gz GPZMBMGAYSQINR-MSOLQXFVSA-N 0 3 358.482 3.489 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(F)c1 ZINC000591093672 507111756 /nfs/dbraw/zinc/11/17/56/507111756.db2.gz IDSKDHFIFKSXQU-HXUWFJFHSA-N 0 3 366.440 3.366 20 30 FGEDHN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)c1 ZINC000594426912 507126860 /nfs/dbraw/zinc/12/68/60/507126860.db2.gz TWGKOORQUVJAJK-AWEZNQCLSA-N 0 3 374.466 3.177 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000594429042 507127880 /nfs/dbraw/zinc/12/78/80/507127880.db2.gz PYLFXDJZTFTCIX-MRXNPFEDSA-N 0 3 364.287 3.351 20 30 FGEDHN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594430185 507129040 /nfs/dbraw/zinc/12/90/40/507129040.db2.gz ZZNSUMKQIBSYMC-JZXOWHBKSA-N 0 3 370.497 3.154 20 30 FGEDHN Cn1ccnc1Sc1ccc(F)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594431731 507129211 /nfs/dbraw/zinc/12/92/11/507129211.db2.gz QNQYWAIUHWFHHG-ZDUSSCGKSA-N 0 3 361.446 3.060 20 30 FGEDHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594430936 507129617 /nfs/dbraw/zinc/12/96/17/507129617.db2.gz DKYBUYHOKMQRNC-IBGZPJMESA-N 0 3 367.497 3.167 20 30 FGEDHN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)[C@@H](N)CCCCC#N ZINC000594432230 507130920 /nfs/dbraw/zinc/13/09/20/507130920.db2.gz ZXRQSNHXCYAEJG-JSGCOSHPSA-N 0 3 357.376 3.000 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000594437933 507133201 /nfs/dbraw/zinc/13/32/01/507133201.db2.gz LPGFRVULVZVNKW-KRWDZBQOSA-N 0 3 356.401 3.040 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000594444939 507136948 /nfs/dbraw/zinc/13/69/48/507136948.db2.gz GEJZIUFPTBHQOK-HNNXBMFYSA-N 0 3 353.388 3.264 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCCc2ccc(C#N)cc2)[C@H](C(F)(F)F)C1 ZINC000597891354 507158212 /nfs/dbraw/zinc/15/82/12/507158212.db2.gz ZAUFFSCTPRWPCV-HZPDHXFCSA-N 0 3 367.415 3.126 20 30 FGEDHN C[C@@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000610352426 507208458 /nfs/dbraw/zinc/20/84/58/507208458.db2.gz ZJCMXUBYJXZLGR-MRXNPFEDSA-N 0 3 362.477 3.018 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3ccc(C#N)nc3)sc2c1)C1CC1 ZINC000598031073 507226563 /nfs/dbraw/zinc/22/65/63/507226563.db2.gz WYEPNEAJNBOMJK-UHFFFAOYSA-N 0 3 363.446 3.409 20 30 FGEDHN C[C@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCN(C2CC2)C1 ZINC000591406496 507237846 /nfs/dbraw/zinc/23/78/46/507237846.db2.gz KLAFRKYYVCSJKT-FOIQADDNSA-N 0 3 352.482 3.061 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000591407598 507240101 /nfs/dbraw/zinc/24/01/01/507240101.db2.gz VPGTVOLZTJRSGH-AZUAARDMSA-N 0 3 352.482 3.205 20 30 FGEDHN CC(C)(C)c1ccc(S(=O)(=O)CCNCCc2ccc(C#N)cc2)cc1 ZINC000594718221 507252157 /nfs/dbraw/zinc/25/21/57/507252157.db2.gz KVPSLOXAENOVPR-UHFFFAOYSA-N 0 3 370.518 3.462 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ccnc(-c2nccs2)n1 ZINC000601130523 507270824 /nfs/dbraw/zinc/27/08/24/507270824.db2.gz VUZLHYAPPGZOIC-UHFFFAOYSA-N 0 3 364.478 3.040 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000598196071 507307291 /nfs/dbraw/zinc/30/72/91/507307291.db2.gz YYSWKSIIIWINOO-QFIPXVFZSA-N 0 3 373.500 3.365 20 30 FGEDHN N#CC1(c2ccc(CNCCCS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000594917186 507313903 /nfs/dbraw/zinc/31/39/03/507313903.db2.gz HSPTWNQQVOBPGB-UHFFFAOYSA-N 0 3 354.475 3.195 20 30 FGEDHN Cn1ncc(C(F)(F)F)c1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000594923571 507315023 /nfs/dbraw/zinc/31/50/23/507315023.db2.gz IYAJPYMWTQJKCI-UHFFFAOYSA-N 0 3 363.387 3.069 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)ccc1OC ZINC000594960705 507332921 /nfs/dbraw/zinc/33/29/21/507332921.db2.gz KIRFGRODGGEZHV-OJLQRUNKSA-N 0 3 351.512 3.429 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000591733963 507343426 /nfs/dbraw/zinc/34/34/26/507343426.db2.gz QSPJGPMUMXYYHI-HNNXBMFYSA-N 0 3 352.331 3.409 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000610718088 507362284 /nfs/dbraw/zinc/36/22/84/507362284.db2.gz MGPZUIKLVUSYNN-CYBMUJFWSA-N 0 3 352.385 3.156 20 30 FGEDHN C=CCCSCCN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000595060964 507373396 /nfs/dbraw/zinc/37/33/96/507373396.db2.gz WVHNLZWBRCJYSU-OAHLLOKOSA-N 0 3 354.541 3.186 20 30 FGEDHN N#CCc1ccccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000601539373 507383105 /nfs/dbraw/zinc/38/31/05/507383105.db2.gz KUGACGQPIURFDC-UHFFFAOYSA-N 0 3 365.399 3.288 20 30 FGEDHN C[C@]1(NC[C@@H](O)COc2ccc(CC#N)cc2)CCCc2ccccc21 ZINC000610988119 507469175 /nfs/dbraw/zinc/46/91/75/507469175.db2.gz YWTPDNLPSPOORL-KNQAVFIVSA-N 0 3 350.462 3.334 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc3nc(CC)c(CC)nc3c2)CC1 ZINC000592068654 507474706 /nfs/dbraw/zinc/47/47/06/507474706.db2.gz OAELOJYIJXMZMY-UHFFFAOYSA-N 0 3 352.482 3.135 20 30 FGEDHN N#CCCOCCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000584733775 507475174 /nfs/dbraw/zinc/47/51/74/507475174.db2.gz SXPUEPPAXDVBFT-OAHLLOKOSA-N 0 3 360.845 3.500 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncccc1Br ZINC000598604923 507516414 /nfs/dbraw/zinc/51/64/14/507516414.db2.gz PXEKFHMUULJKJE-UHFFFAOYSA-N 0 3 359.271 3.284 20 30 FGEDHN C=CCC(CC=C)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000614445116 507516582 /nfs/dbraw/zinc/51/65/82/507516582.db2.gz BESVVDLNJWXNBN-IBGZPJMESA-N 0 3 350.547 3.475 20 30 FGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1OC(F)F ZINC000611172667 507545820 /nfs/dbraw/zinc/54/58/20/507545820.db2.gz BZBFCARJOIRVLG-UHFFFAOYSA-N 0 3 369.803 3.013 20 30 FGEDHN COc1ccc(Oc2cc(CNC[C@H](O)CC(C)(C)C#N)ccn2)cc1 ZINC000598715986 507566496 /nfs/dbraw/zinc/56/64/96/507566496.db2.gz XBUDPRPSPJFNIZ-MRXNPFEDSA-N 0 3 355.438 3.273 20 30 FGEDHN C[C@H]1CCC[C@H](C)N1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000595572158 507567177 /nfs/dbraw/zinc/56/71/77/507567177.db2.gz SYQWXDIFMMGGMB-GJZGRUSLSA-N 0 3 352.400 3.436 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CSc2ccc(Br)cc21 ZINC000598722935 507568138 /nfs/dbraw/zinc/56/81/38/507568138.db2.gz BWUMDZNGSPHVAR-AAEUAGOBSA-N 0 3 355.301 3.486 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCc2c1ccc(F)c2Br ZINC000598728786 507568916 /nfs/dbraw/zinc/56/89/16/507568916.db2.gz VQFIQSICRLBFBG-IINYFYTJSA-N 0 3 355.251 3.466 20 30 FGEDHN COc1ccc([C@@H](NCCC(=O)N(C)CCC#N)c2ccccc2)cc1 ZINC000595635027 507606016 /nfs/dbraw/zinc/60/60/16/507606016.db2.gz IRQPEEMZOPKTES-NRFANRHFSA-N 0 3 351.450 3.136 20 30 FGEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1Cl ZINC000598800386 507606995 /nfs/dbraw/zinc/60/69/95/507606995.db2.gz PMCQIHHJVIMSME-VXGBXAGGSA-N 0 3 362.735 3.134 20 30 FGEDHN CC(C)(NCCC(=O)Nc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000595640238 507609023 /nfs/dbraw/zinc/60/90/23/507609023.db2.gz QMJILIRPPFCYJU-UHFFFAOYSA-N 0 3 351.406 3.140 20 30 FGEDHN CS(=O)(=O)c1cc(CN[C@H]2CCC[C@H](C#N)C2)cc(C(F)(F)F)c1 ZINC000585765097 507621281 /nfs/dbraw/zinc/62/12/81/507621281.db2.gz GAXGCNWWLYLBDP-FZMZJTMJSA-N 0 3 360.401 3.281 20 30 FGEDHN Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000598856878 507641633 /nfs/dbraw/zinc/64/16/33/507641633.db2.gz GMNPPNDMGUJKIS-ZIAGYGMSSA-N 0 3 368.403 3.417 20 30 FGEDHN CS(=O)(=O)Nc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391816 507658792 /nfs/dbraw/zinc/65/87/92/507658792.db2.gz VQMIDLJQFJJTRU-LJQANCHMSA-N 0 3 355.463 3.097 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000611391842 507659605 /nfs/dbraw/zinc/65/96/05/507659605.db2.gz BEGLKAVCCNDKPE-YWZLYKJASA-N 0 3 358.388 3.243 20 30 FGEDHN CN(C(=O)CCNC1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000595770300 507677761 /nfs/dbraw/zinc/67/77/61/507677761.db2.gz XWDRLUHVIHGIJF-UHFFFAOYSA-N 0 3 363.461 3.207 20 30 FGEDHN CC(C)Oc1ncccc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000611438136 507682838 /nfs/dbraw/zinc/68/28/38/507682838.db2.gz UKKBSMXKIJJXMK-UHFFFAOYSA-N 0 3 364.493 3.495 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3ccc4nccnc4c3)CC2)cc1 ZINC000602431439 507709024 /nfs/dbraw/zinc/70/90/24/507709024.db2.gz RLFWJSDFZXHOLC-UHFFFAOYSA-N 0 3 357.461 3.209 20 30 FGEDHN COc1ccc(CCC(=O)N2CCCN(C[C@@H](C)CCC#N)CC2)cc1 ZINC000602453186 507714243 /nfs/dbraw/zinc/71/42/43/507714243.db2.gz GLJAMTRWHLPSMW-SFHVURJKSA-N 0 3 357.498 3.102 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)Nc1ccccc1CN1CCC(O)CC1 ZINC000602488602 507724695 /nfs/dbraw/zinc/72/46/95/507724695.db2.gz WLPLBEXAHCOXKT-QGZVFWFLSA-N 0 3 357.498 3.154 20 30 FGEDHN COc1ccccc1[C@@H](CNCc1cccc(C#N)n1)N1CCCCC1 ZINC000602518342 507735355 /nfs/dbraw/zinc/73/53/55/507735355.db2.gz PUEQZJQYTKFNMW-HXUWFJFHSA-N 0 3 350.466 3.279 20 30 FGEDHN C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821614334 606166141 /nfs/dbraw/zinc/16/61/41/606166141.db2.gz AREMOGYXGWVDAA-UHFFFAOYSA-N 0 3 363.469 3.423 20 30 FGEDHN C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821614334 606166142 /nfs/dbraw/zinc/16/61/42/606166142.db2.gz AREMOGYXGWVDAA-UHFFFAOYSA-N 0 3 363.469 3.423 20 30 FGEDHN C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821614334 606166144 /nfs/dbraw/zinc/16/61/44/606166144.db2.gz AREMOGYXGWVDAA-UHFFFAOYSA-N 0 3 363.469 3.423 20 30 FGEDHN C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821614334 606166146 /nfs/dbraw/zinc/16/61/46/606166146.db2.gz AREMOGYXGWVDAA-UHFFFAOYSA-N 0 3 363.469 3.423 20 30 FGEDHN CC(C)C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(C#N)cc1 ZINC000824261145 608569298 /nfs/dbraw/zinc/56/92/98/608569298.db2.gz BUDIVXNFEKDBKJ-UHFFFAOYSA-N 0 3 352.467 3.458 20 30 FGEDHN CC(C)C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(C#N)cc1 ZINC000824261145 608569299 /nfs/dbraw/zinc/56/92/99/608569299.db2.gz BUDIVXNFEKDBKJ-UHFFFAOYSA-N 0 3 352.467 3.458 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)C(C)C ZINC000041855905 695768992 /nfs/dbraw/zinc/76/89/92/695768992.db2.gz PMLAONCPKDFXCO-KRWDZBQOSA-N 0 3 363.889 3.093 20 30 FGEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000051534127 695913339 /nfs/dbraw/zinc/91/33/39/695913339.db2.gz UUGIIPFKPSAPCI-YPMHNXCESA-N 0 3 369.475 3.296 20 30 FGEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1csc2ccccc12 ZINC000119913907 700642753 /nfs/dbraw/zinc/64/27/53/700642753.db2.gz OVLVSMWMXPJNJY-INIZCTEOSA-N 0 3 358.463 3.086 20 30 FGEDHN C[C@H](CSc1ccc(F)cc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000120391776 700653835 /nfs/dbraw/zinc/65/38/35/700653835.db2.gz NFAJUVMIPKRYGU-DOMZBBRYSA-N 0 3 357.410 3.296 20 30 FGEDHN C[C@H](CSCc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000122688316 700693982 /nfs/dbraw/zinc/69/39/82/700693982.db2.gz TXTBQTCMTZYIQV-ZBFHGGJFSA-N 0 3 353.447 3.298 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000170772830 705361226 /nfs/dbraw/zinc/36/12/26/705361226.db2.gz BOILXHPDXMTSOR-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172086530 705407618 /nfs/dbraw/zinc/40/76/18/705407618.db2.gz FHVBTBAVYVHCFZ-MQYQWHSLSA-N 0 3 353.205 3.208 20 30 FGEDHN CC(C)c1nnc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000177596613 705629860 /nfs/dbraw/zinc/62/98/60/705629860.db2.gz NKTJCOSGJGUGHK-ZDUSSCGKSA-N 0 3 360.801 3.127 20 30 FGEDHN CC1(C)CCCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1 ZINC000329922759 713833373 /nfs/dbraw/zinc/83/33/73/713833373.db2.gz UCKRWFSZDFNDSP-HNNXBMFYSA-N 0 3 363.527 3.431 20 30 FGEDHN CN1C[C@@H](NC(=O)c2cccc(SCC#N)c2)[C@@H](c2ccccc2)C1 ZINC000374299115 713911870 /nfs/dbraw/zinc/91/18/70/713911870.db2.gz XEWKPDKEWBMTOT-RTBURBONSA-N 0 3 351.475 3.130 20 30 FGEDHN CCN1CCN(Cc2ccc(CNc3snc(C)c3C#N)cc2)CC1 ZINC000570706104 714444295 /nfs/dbraw/zinc/44/42/95/714444295.db2.gz BLASMVKVGIFYGE-UHFFFAOYSA-N 0 3 355.511 3.073 20 30 FGEDHN Fc1cccc(CN[C@H]2CCN(CC(F)(F)F)C2)c1OCC(F)(F)F ZINC000623385932 715323758 /nfs/dbraw/zinc/32/37/58/715323758.db2.gz CVLFBWIYZRYKFN-NSHDSACASA-N 0 3 374.300 3.493 20 30 FGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)sc2nccn12 ZINC000780306674 724457299 /nfs/dbraw/zinc/45/72/99/724457299.db2.gz ZXDGFLNCSJIECR-GFCCVEGCSA-N 0 3 358.810 3.319 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640930982 717834036 /nfs/dbraw/zinc/83/40/36/717834036.db2.gz XCNZDDJFZAFSCN-CZUORRHYSA-N 0 3 361.515 3.161 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000647582083 718368371 /nfs/dbraw/zinc/36/83/71/718368371.db2.gz BMRUGTFCYSMXQK-IEBWSBKVSA-N 0 3 350.528 3.356 20 30 FGEDHN N#Cc1cc(Cl)cc(Br)c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804396170 724511687 /nfs/dbraw/zinc/51/16/87/724511687.db2.gz CWPLAAUUHMXSLJ-CHWSQXEVSA-N 0 3 370.678 3.249 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](OC)C1CCC1 ZINC000657237770 719603543 /nfs/dbraw/zinc/60/35/43/719603543.db2.gz HDTWGUIMPOLMCL-QGZVFWFLSA-N 0 3 364.559 3.400 20 30 FGEDHN C=CCCn1cc(CNCC2(c3ccccc3Cl)CCOCC2)nn1 ZINC000657353759 719632075 /nfs/dbraw/zinc/63/20/75/719632075.db2.gz WEGSPTUUPALVFI-UHFFFAOYSA-N 0 3 360.889 3.346 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2nsc3ccccc32)CC1 ZINC000660597940 720080168 /nfs/dbraw/zinc/08/01/68/720080168.db2.gz TZIGBZHFEAMEEM-UHFFFAOYSA-N 0 3 358.511 3.179 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(Cl)cccc2Br)CC1 ZINC000668370444 721282462 /nfs/dbraw/zinc/28/24/62/721282462.db2.gz XMQFVSFWHQUMPK-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN CCC(=O)N[C@@H](C)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000729070238 722456840 /nfs/dbraw/zinc/45/68/40/722456840.db2.gz NCDBBTYVBWRMFR-WCBMZHEXSA-N 0 3 369.368 3.406 20 30 FGEDHN COC(=O)N[C@@H](CC(C)C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417118 722468302 /nfs/dbraw/zinc/46/83/02/722468302.db2.gz KXSMGTSSNUSDNA-YPMHNXCESA-N 0 3 363.414 3.382 20 30 FGEDHN CC(C)C[C@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733796361 722500878 /nfs/dbraw/zinc/50/08/78/722500878.db2.gz FWCNNCWHZXFXBX-GJZGRUSLSA-N 0 3 357.479 3.219 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000741400310 722545569 /nfs/dbraw/zinc/54/55/69/722545569.db2.gz UWFXFMQVGYBERJ-UHFFFAOYSA-N 0 3 359.861 3.298 20 30 FGEDHN C=CCN1CCC(NC(=S)NCc2ccc(Br)cc2)CC1 ZINC000747649737 722654200 /nfs/dbraw/zinc/65/42/00/722654200.db2.gz GYVSELUIBDYQBM-UHFFFAOYSA-N 0 3 368.344 3.064 20 30 FGEDHN C#CCN(C(=S)NC1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000756807637 722970283 /nfs/dbraw/zinc/97/02/83/722970283.db2.gz LFDKCCWWYFCULA-UHFFFAOYSA-N 0 3 355.551 3.403 20 30 FGEDHN C=C(Br)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000795625652 723603046 /nfs/dbraw/zinc/60/30/46/723603046.db2.gz NHIZAOXNWDICJG-AWEZNQCLSA-N 0 3 373.241 3.169 20 30 FGEDHN COC[C@H]1CCCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000767940171 723640800 /nfs/dbraw/zinc/64/08/00/723640800.db2.gz HGTZGNMBQGWNPQ-LSDHHAIUSA-N 0 3 357.479 3.221 20 30 FGEDHN N#CC(C(=O)CCc1cnccn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000796634503 723647701 /nfs/dbraw/zinc/64/77/01/723647701.db2.gz INZLVQVOXAIRHF-LBPRGKRZSA-N 0 3 363.204 3.064 20 30 FGEDHN C=CCOc1ccc(CN[C@]2(CC(=O)OC)CCCOC2)cc1Cl ZINC000770679496 723718987 /nfs/dbraw/zinc/71/89/87/723718987.db2.gz PUBMPCOMKDKSEW-SFHVURJKSA-N 0 3 353.846 3.107 20 30 FGEDHN CC[C@H](CSC)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773704515 723815049 /nfs/dbraw/zinc/81/50/49/723815049.db2.gz XJSYOYBGZPTJLW-HUUCEWRRSA-N 0 3 354.479 3.297 20 30 FGEDHN CCC(=O)N[C@@H](CCSC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567756 723835705 /nfs/dbraw/zinc/83/57/05/723835705.db2.gz BETKINVIKDMSRT-NEPJUHHUSA-N 0 3 367.540 3.265 20 30 FGEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000775575775 724002503 /nfs/dbraw/zinc/00/25/03/724002503.db2.gz YSJWIIJASPTYCN-NOLJZWGESA-N 0 3 354.372 3.193 20 30 FGEDHN CCCCCCCS(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000799819522 724100705 /nfs/dbraw/zinc/10/07/05/724100705.db2.gz LYVNBRKSRFJKKR-IBGZPJMESA-N 0 3 352.544 3.398 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000778159497 724305153 /nfs/dbraw/zinc/30/51/53/724305153.db2.gz WLPYWQFSRYOIDI-ZDUSSCGKSA-N 0 3 360.807 3.326 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000778173465 724306620 /nfs/dbraw/zinc/30/66/20/724306620.db2.gz KPSJQQURQSFIAT-KDOFPFPSSA-N 0 3 351.899 3.496 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000801574890 724316194 /nfs/dbraw/zinc/31/61/94/724316194.db2.gz DOUCPQRALOCWDJ-INIZCTEOSA-N 0 3 355.825 3.134 20 30 FGEDHN C=C(Br)CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802040808 724354921 /nfs/dbraw/zinc/35/49/21/724354921.db2.gz LBWWCKKMTCDOOT-ZDUSSCGKSA-N 0 3 360.683 3.151 20 30 FGEDHN CCC[C@H](CCCS(C)(=O)=O)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000789405840 725126918 /nfs/dbraw/zinc/12/69/18/725126918.db2.gz SNADHGALWHONCU-KGLIPLIRSA-N 0 3 362.451 3.245 20 30 FGEDHN C#C[C@@H](NC1CCN(CCCC(=O)OC)CC1)c1ccc(Cl)cc1F ZINC000812765704 726809275 /nfs/dbraw/zinc/80/92/75/726809275.db2.gz RWDFXJVYTQGTQZ-GOSISDBHSA-N 0 3 366.864 3.161 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000818326949 727307470 /nfs/dbraw/zinc/30/74/70/727307470.db2.gz LIIKOPKUZIHEAH-LBPRGKRZSA-N 0 3 367.262 3.111 20 30 FGEDHN C#CCN(C)CCCNC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000818595960 727315835 /nfs/dbraw/zinc/31/58/35/727315835.db2.gz WJKRYCSDRBYLQV-UHFFFAOYSA-N 0 3 353.293 3.486 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccccc1CSc1nc(C)cs1 ZINC000818606366 727316315 /nfs/dbraw/zinc/31/63/15/727316315.db2.gz PEYKRTZVEUPEHN-UHFFFAOYSA-N 0 3 373.547 3.429 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000818612298 727316645 /nfs/dbraw/zinc/31/66/45/727316645.db2.gz UNHDVEZEZNKMRI-UHFFFAOYSA-N 0 3 357.841 3.212 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000818615666 727317063 /nfs/dbraw/zinc/31/70/63/727317063.db2.gz TYMZMTHDSUHDOK-UHFFFAOYSA-N 0 3 355.507 3.420 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)s1 ZINC000819541903 727381656 /nfs/dbraw/zinc/38/16/56/727381656.db2.gz ZTWZVQUQCDDTPY-OLZOCXBDSA-N 0 3 371.959 3.001 20 30 FGEDHN C#C[C@H](NCc1cc(Br)c(O)c(OCC)c1)C1CCOCC1 ZINC000827559185 729431765 /nfs/dbraw/zinc/43/17/65/729431765.db2.gz CHAZKOYLSUFZRX-HNNXBMFYSA-N 0 3 368.271 3.071 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn2c1CCC2 ZINC000835065034 729854916 /nfs/dbraw/zinc/85/49/16/729854916.db2.gz JXFYKVQZZPJLPC-JTQLQIEISA-N 0 3 363.204 3.097 20 30 FGEDHN Cc1ccc(Br)cc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835071746 729856271 /nfs/dbraw/zinc/85/62/71/729856271.db2.gz UNQPZDSWZFFBBH-OAHLLOKOSA-N 0 3 363.255 3.068 20 30 FGEDHN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835341328 729880065 /nfs/dbraw/zinc/88/00/65/729880065.db2.gz TYSJEXAOSGYDAB-WDEREUQCSA-N 0 3 362.298 3.268 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC ZINC000842288064 730480821 /nfs/dbraw/zinc/48/08/21/730480821.db2.gz GOHQDHNXQMOPCN-WBMJQRKESA-N 0 3 366.845 3.366 20 30 FGEDHN CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(=O)NCc1cccs1 ZINC000842909438 730555614 /nfs/dbraw/zinc/55/56/14/730555614.db2.gz SJPKPBCMQIMGPR-KSSFIOAISA-N 0 3 357.479 3.396 20 30 FGEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000845633086 730873396 /nfs/dbraw/zinc/87/33/96/730873396.db2.gz HTQNBUNUPTWSPM-ZDUSSCGKSA-N 0 3 359.392 3.285 20 30 FGEDHN N#CC(C(=O)CCCc1cccnc1)C(=O)NCc1cccc(Cl)c1 ZINC000850976322 731408427 /nfs/dbraw/zinc/40/84/27/731408427.db2.gz AHJIWIFWOBCQIU-KRWDZBQOSA-N 0 3 355.825 3.083 20 30 FGEDHN C=CCC[C@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335820 731571857 /nfs/dbraw/zinc/57/18/57/731571857.db2.gz QDEBPPBIZQXWNK-TUAOUCFPSA-N 0 3 367.125 3.141 20 30 FGEDHN COC1CC(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000860467651 732518668 /nfs/dbraw/zinc/51/86/68/732518668.db2.gz NEWDCLMNPMQLBS-QEIKUCIBSA-N 0 3 354.378 3.074 20 30 FGEDHN CCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1 ZINC000860473033 732519075 /nfs/dbraw/zinc/51/90/75/732519075.db2.gz HMYCSTMQGOHUHP-NSHDSACASA-N 0 3 365.220 3.479 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000876595497 736118498 /nfs/dbraw/zinc/11/84/98/736118498.db2.gz BTCIAVBUKIGCSA-XFWSIPNHSA-N 0 3 366.733 3.482 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000876677294 736130351 /nfs/dbraw/zinc/13/03/51/736130351.db2.gz LCNYRLZKMICUIQ-ZDUSSCGKSA-N 0 3 357.679 3.067 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCCCCc1nc(-c2cccnc2)cs1 ZINC000876752477 736140695 /nfs/dbraw/zinc/14/06/95/736140695.db2.gz QVQFBQYZIQWLBV-AWEZNQCLSA-N 0 3 364.902 3.114 20 30 FGEDHN C[C@@H](CN(C)CCc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000877704858 736708723 /nfs/dbraw/zinc/70/87/23/736708723.db2.gz NXXGGITWUNXOPR-INIZCTEOSA-N 0 3 356.491 3.240 20 30 FGEDHN CCc1cc(Br)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884084957 737631681 /nfs/dbraw/zinc/63/16/81/737631681.db2.gz HCYHKUVSYOGGJG-UIORMTCPSA-N 0 3 362.271 3.089 20 30 FGEDHN Cc1cc(-c2csc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)n2)c(C)o1 ZINC000884099721 737633530 /nfs/dbraw/zinc/63/35/30/737633530.db2.gz XLOHPTJXHDZZAT-YNAXMUEKSA-N 0 3 356.451 3.098 20 30 FGEDHN CCC[C@@H]1CCc2nc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)sc2C1 ZINC000884114400 737634544 /nfs/dbraw/zinc/63/45/44/737634544.db2.gz PYEFTSOSRJBNFJ-QWHDWNGZSA-N 0 3 358.511 3.126 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(Cl)c(Br)c1)C2 ZINC000884133438 737636432 /nfs/dbraw/zinc/63/64/32/737636432.db2.gz YSZVLPRISKWZMK-KGXJWFGYSA-N 0 3 368.662 3.180 20 30 FGEDHN Cc1nc(-c2ccccc2)sc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884319377 737654499 /nfs/dbraw/zinc/65/44/99/737654499.db2.gz UDDCWUXXAUKDBU-XAUUPUKJSA-N 0 3 352.463 3.196 20 30 FGEDHN COc1cc(CN(C)C[C@H](O)CC2(C#N)CCC2)c(SC)cc1OC ZINC000886019692 739209378 /nfs/dbraw/zinc/20/93/78/739209378.db2.gz ZQRHSNBPNNMYPR-OAHLLOKOSA-N 0 3 364.511 3.302 20 30 FGEDHN COC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(Br)c1 ZINC000886310542 739243264 /nfs/dbraw/zinc/24/32/64/739243264.db2.gz NWPJSOMRZZSFFX-CVEARBPZSA-N 0 3 367.287 3.171 20 30 FGEDHN C#CCN(C(=O)c1cc2cccc(Cl)c2nc1C)C1CCN(C)CC1 ZINC000886572509 739271155 /nfs/dbraw/zinc/27/11/55/739271155.db2.gz OLNPRKSOSZKQQI-UHFFFAOYSA-N 0 3 355.869 3.366 20 30 FGEDHN C#CCN(C(=O)c1ccc(C2SCCS2)cc1)C1CCN(C)CC1 ZINC000886587312 739272782 /nfs/dbraw/zinc/27/27/82/739272782.db2.gz RLWIGGSRZDXUPL-UHFFFAOYSA-N 0 3 360.548 3.335 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888424229 739521684 /nfs/dbraw/zinc/52/16/84/739521684.db2.gz NDPZPAYLMHDTMD-UHFFFAOYSA-N 0 3 369.903 3.325 20 30 FGEDHN N#C[C@@]1(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)CC12CCCC2 ZINC000899046855 742859623 /nfs/dbraw/zinc/85/96/23/742859623.db2.gz FBVDTOARADSPPC-GOSISDBHSA-N 0 3 357.845 3.124 20 30 FGEDHN C[C@@H](NC[C@H](CO)Cc1ccc(Br)cc1)c1cc(C#N)ccn1 ZINC000902972385 743794682 /nfs/dbraw/zinc/79/46/82/743794682.db2.gz DRYFSHYYLARUDM-CZUORRHYSA-N 0 3 374.282 3.218 20 30 FGEDHN C[C@H]1CCCC[C@@H]1NC(=S)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000916015732 758023990 /nfs/dbraw/zinc/02/39/90/758023990.db2.gz HUHNAZXNHCBPML-LPHOPBHVSA-N 0 3 358.555 3.375 20 30 FGEDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000921814449 758801790 /nfs/dbraw/zinc/80/17/90/758801790.db2.gz AWMBCKXPEDNIFG-GXZWQRSESA-N 0 3 369.328 3.490 20 30 FGEDHN C#CCN(C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CCN(C)CC1 ZINC000922327608 758893745 /nfs/dbraw/zinc/89/37/45/758893745.db2.gz YFUZYNARQBGIFO-SAABIXHNSA-N 0 3 359.901 3.325 20 30 FGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922337202 758894951 /nfs/dbraw/zinc/89/49/51/758894951.db2.gz CPUQDYXLLVXAEL-GDBMZVCRSA-N 0 3 364.287 3.104 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCN(C)[C@@H]2C)s1 ZINC000928433080 760185796 /nfs/dbraw/zinc/18/57/96/760185796.db2.gz SJIQFAABWCWSPB-NEPJUHHUSA-N 0 3 359.948 3.047 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(CCCCC(C)(C)C#N)C1 ZINC000932692817 761220372 /nfs/dbraw/zinc/22/03/72/761220372.db2.gz FHWRXBPJOSSUDS-IBGZPJMESA-N 0 3 353.507 3.058 20 30 FGEDHN CC(C)(O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945085 761282497 /nfs/dbraw/zinc/28/24/97/761282497.db2.gz QWPPDZVSFQBKAS-YUMQZZPRSA-N 0 3 355.269 3.250 20 30 FGEDHN O=C1C=COC2(CCN(CCCc3nc(-c4cccs4)no3)CC2)C1 ZINC000933653434 761446510 /nfs/dbraw/zinc/44/65/10/761446510.db2.gz FQSMVBLXICORMT-UHFFFAOYSA-N 0 3 359.451 3.068 20 30 FGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001016791317 765822462 /nfs/dbraw/zinc/82/24/62/765822462.db2.gz MHMJOMILWFDSJI-FMKPAKJESA-N 0 3 362.926 3.499 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NCc2c(C)cccc2Cl)C1 ZINC001018863080 765846279 /nfs/dbraw/zinc/84/62/79/765846279.db2.gz MUBBLAYTGNKAAP-FCEWJHQRSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C(Br)CNC1CCC(NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001026575377 766078217 /nfs/dbraw/zinc/07/82/17/766078217.db2.gz OHJBTHGIMWACLF-SSHXOBKSSA-N 0 3 355.320 3.348 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001027585842 766098578 /nfs/dbraw/zinc/09/85/78/766098578.db2.gz QYTKULGNHBRAIQ-QRVBRYPASA-N 0 3 362.901 3.354 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000573793007 505622105 /nfs/dbraw/zinc/62/21/05/505622105.db2.gz NOTKALJSAQOYCK-RTWAWAEBSA-N 0 3 365.477 3.107 20 30 FGEDHN N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000579865132 505634548 /nfs/dbraw/zinc/63/45/48/505634548.db2.gz JUTCJTXHGVAYTI-LJQANCHMSA-N 0 3 363.436 3.499 20 30 FGEDHN N#CC(CCN1CC[C@H](c2nnc[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000573915204 505650455 /nfs/dbraw/zinc/65/04/55/505650455.db2.gz RZNDUHPLVLMGOM-SFHVURJKSA-N 0 3 357.461 3.494 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000068310455 493794309 /nfs/dbraw/zinc/79/43/09/493794309.db2.gz NSKYDDQKQKMXQV-RTWAWAEBSA-N 0 3 365.452 3.391 20 30 FGEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1OCC(=O)N(C)C ZINC000048750808 493844187 /nfs/dbraw/zinc/84/41/87/493844187.db2.gz KTBKYQCPUCWLPO-IBGZPJMESA-N 0 3 351.450 3.266 20 30 FGEDHN N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](N4CCCC4)C3)o2)cc1 ZINC000076209491 493845673 /nfs/dbraw/zinc/84/56/73/493845673.db2.gz PRWDQVHEQYSLQW-QGZVFWFLSA-N 0 3 365.433 3.041 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000029753127 493855919 /nfs/dbraw/zinc/85/59/19/493855919.db2.gz CSPWIQZEHFOPSX-KRWDZBQOSA-N 0 3 363.461 3.106 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000076395508 493884556 /nfs/dbraw/zinc/88/45/56/493884556.db2.gz HHAWKFYESVOSLW-SFHVURJKSA-N 0 3 361.449 3.249 20 30 FGEDHN COc1ccccc1[C@@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000069085708 493918748 /nfs/dbraw/zinc/91/87/48/493918748.db2.gz ADZVEXKPNDMKER-PXNSSMCTSA-N 0 3 352.434 3.144 20 30 FGEDHN C[C@H](Cc1ccsc1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000052584242 494043073 /nfs/dbraw/zinc/04/30/73/494043073.db2.gz MRLXYHHFYXOYQE-MRXNPFEDSA-N 0 3 370.522 3.324 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1ccc(C#N)cc1 ZINC000084318918 494062561 /nfs/dbraw/zinc/06/25/61/494062561.db2.gz ZSWPWZJOYSGWEW-HNNXBMFYSA-N 0 3 356.495 3.454 20 30 FGEDHN N#Cc1cc(NC(=O)NCCCN2CCc3ccccc3C2)ccc1F ZINC000077497806 494096871 /nfs/dbraw/zinc/09/68/71/494096871.db2.gz YVCCSBVGKVQIFW-UHFFFAOYSA-N 0 3 352.413 3.267 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccccc1 ZINC000065930121 494257015 /nfs/dbraw/zinc/25/70/15/494257015.db2.gz MOUUNNYQBUTDOS-UHFFFAOYSA-N 0 3 353.491 3.241 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2n1C ZINC000065930275 494257250 /nfs/dbraw/zinc/25/72/50/494257250.db2.gz YGVUUKLOFWGGMW-UHFFFAOYSA-N 0 3 360.461 3.254 20 30 FGEDHN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCCN(C)C)cc1 ZINC000054680825 494260894 /nfs/dbraw/zinc/26/08/94/494260894.db2.gz DQJLAWVABIZFJO-FQEVSTJZSA-N 0 3 351.450 3.380 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCc2ccc(OC)cc2C1)C(C)C ZINC000066002227 494267770 /nfs/dbraw/zinc/26/77/70/494267770.db2.gz JEOHWNIORSAXAP-OAQYLSRUSA-N 0 3 371.525 3.462 20 30 FGEDHN COC(=O)[C@@H](C)[C@H](NCCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000089141093 494268649 /nfs/dbraw/zinc/26/86/49/494268649.db2.gz VDTPDKAJCHXWQO-YWZLYKJASA-N 0 3 368.433 3.086 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(C(=O)NC)c1C)C(C)C ZINC000044175612 494342214 /nfs/dbraw/zinc/34/22/14/494342214.db2.gz AGEMOPULVVYQEB-IBGZPJMESA-N 0 3 372.513 3.175 20 30 FGEDHN Cc1sc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000044566289 494366453 /nfs/dbraw/zinc/36/64/53/494366453.db2.gz LJCUUQOTZMJEJV-UHFFFAOYSA-N 0 3 372.450 3.040 20 30 FGEDHN N#CCCN(C(=O)CC1(N2CCOCC2)CCCC1)c1ccc(F)cc1 ZINC000073477962 494375374 /nfs/dbraw/zinc/37/53/74/494375374.db2.gz ANOCLJFSCRYIHW-UHFFFAOYSA-N 0 3 359.445 3.107 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000066726971 494396585 /nfs/dbraw/zinc/39/65/85/494396585.db2.gz MACAUFXCAIRDFE-UHFFFAOYSA-N 0 3 351.450 3.047 20 30 FGEDHN COc1ccc(CN2CCCN(c3nc(C)cc(C)c3C#N)CC2)cc1 ZINC000073869913 494440145 /nfs/dbraw/zinc/44/01/45/494440145.db2.gz GCZCKPUGNDCTPN-UHFFFAOYSA-N 0 3 350.466 3.291 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812980 494466075 /nfs/dbraw/zinc/46/60/75/494466075.db2.gz DQPPKZODMMRRRM-JKSUJKDBSA-N 0 3 357.498 3.499 20 30 FGEDHN N#Cc1cc(NC[C@@H](c2cccs2)N2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000577394019 505720183 /nfs/dbraw/zinc/72/01/83/505720183.db2.gz DUVDHPQDHROBPT-HNNXBMFYSA-N 0 3 357.439 3.359 20 30 FGEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(SCC#N)c1 ZINC000079535844 494474806 /nfs/dbraw/zinc/47/48/06/494474806.db2.gz PVWYBCBXGYYJLF-SFHVURJKSA-N 0 3 353.491 3.205 20 30 FGEDHN Cc1ccc(SC[C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000571397652 505724277 /nfs/dbraw/zinc/72/42/77/505724277.db2.gz NQUDFDZEMPCWLO-FUHWJXTLSA-N 0 3 356.491 3.377 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000067248031 494500111 /nfs/dbraw/zinc/50/01/11/494500111.db2.gz HYMAVUIPOYGEFO-HNNXBMFYSA-N 0 3 360.479 3.010 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CNC1(CO)Cc2ccccc2C1 ZINC000074326093 494519975 /nfs/dbraw/zinc/51/99/75/494519975.db2.gz KMNNCCBODXLBSK-UHFFFAOYSA-N 0 3 368.502 3.023 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000056754595 494556657 /nfs/dbraw/zinc/55/66/57/494556657.db2.gz OYPPOPLDFYYAIU-UHFFFAOYSA-N 0 3 352.438 3.210 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000580305531 505728401 /nfs/dbraw/zinc/72/84/01/505728401.db2.gz IRGZQZXMIOTGNN-SAABIXHNSA-N 0 3 358.438 3.007 20 30 FGEDHN C=CCN1CCC(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000091442741 494600878 /nfs/dbraw/zinc/60/08/78/494600878.db2.gz OQHUFELEDZPNGR-MRXNPFEDSA-N 0 3 357.281 3.184 20 30 FGEDHN C[C@@H]1CN(CC2CCN(c3c(C#N)cnc4ccccc43)CC2)C[C@H](C)O1 ZINC000091478949 494607382 /nfs/dbraw/zinc/60/73/82/494607382.db2.gz ANGKRONBKQSHOZ-CALCHBBNSA-N 0 3 364.493 3.432 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000121246026 494664677 /nfs/dbraw/zinc/66/46/77/494664677.db2.gz KOZUYQNWQKHDGQ-WOJBJXKFSA-N 0 3 357.498 3.246 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000121245708 494664817 /nfs/dbraw/zinc/66/48/17/494664817.db2.gz KOZUYQNWQKHDGQ-UXHICEINSA-N 0 3 357.498 3.246 20 30 FGEDHN N#CCCn1cc(CN2CCC(n3cccn3)CC2)c(-c2ccccc2)n1 ZINC000092617685 494687693 /nfs/dbraw/zinc/68/76/93/494687693.db2.gz PYCDWIDXLVAKPQ-UHFFFAOYSA-N 0 3 360.465 3.497 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)COc2ccccc2C#N)CC1 ZINC000116068209 494692263 /nfs/dbraw/zinc/69/22/63/494692263.db2.gz ZCVGVQLEGOFCHY-KRWDZBQOSA-N 0 3 363.461 3.279 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000047454052 494713607 /nfs/dbraw/zinc/71/36/07/494713607.db2.gz OEOCTWSCKCNASW-UHFFFAOYSA-N 0 3 353.470 3.047 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091949487 494729656 /nfs/dbraw/zinc/72/96/56/494729656.db2.gz JJHGYBWJENYHME-GOSISDBHSA-N 0 3 354.494 3.169 20 30 FGEDHN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000121410668 494743738 /nfs/dbraw/zinc/74/37/38/494743738.db2.gz DLTPDAOCCAKSJD-QFBILLFUSA-N 0 3 371.506 3.267 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)CC1 ZINC000057431204 494744506 /nfs/dbraw/zinc/74/45/06/494744506.db2.gz YIPXTCTXFQHKDZ-UHFFFAOYSA-N 0 3 354.498 3.237 20 30 FGEDHN CN(CCOc1ccccc1Cl)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025699772 494770423 /nfs/dbraw/zinc/77/04/23/494770423.db2.gz AUHNHLXAXVJIFO-KRWDZBQOSA-N 0 3 374.868 3.157 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000108843176 494795362 /nfs/dbraw/zinc/79/53/62/494795362.db2.gz OFBSTQGKMGGYJH-MBOZVWFJSA-N 0 3 357.498 3.198 20 30 FGEDHN COc1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000026225031 494810534 /nfs/dbraw/zinc/81/05/34/494810534.db2.gz UZVNYHAXPXORDF-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](CN3CCOCC3)C2)ccc1OC ZINC000093042601 494814304 /nfs/dbraw/zinc/81/43/04/494814304.db2.gz HZXNVGASGQPDNC-HXUWFJFHSA-N 0 3 374.525 3.194 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000121726351 494846628 /nfs/dbraw/zinc/84/66/28/494846628.db2.gz LFSUHNATDWEVMF-FQEVSTJZSA-N 0 3 373.541 3.128 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000109373226 494865114 /nfs/dbraw/zinc/86/51/14/494865114.db2.gz ZGSYTBAVPLXOSO-UHFFFAOYSA-N 0 3 363.461 3.209 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)N(C)C)cc1 ZINC000027596239 494875379 /nfs/dbraw/zinc/87/53/79/494875379.db2.gz HRNXGDLMHQRXJG-IIBYNOLFSA-N 0 3 365.477 3.307 20 30 FGEDHN N#CCCCOc1cccc(CN2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000093362772 494879312 /nfs/dbraw/zinc/87/93/12/494879312.db2.gz JKWVOLUDSMIBFW-LJQANCHMSA-N 0 3 355.482 3.346 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000118394436 494999502 /nfs/dbraw/zinc/99/95/02/494999502.db2.gz MPAFHNGIPNVCFK-HNNXBMFYSA-N 0 3 355.404 3.206 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(Cl)c(OC)c2)CC1 ZINC000122611806 495003733 /nfs/dbraw/zinc/00/37/33/495003733.db2.gz OLHZTBRKMCHDGQ-UHFFFAOYSA-N 0 3 350.890 3.438 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000133947317 495084784 /nfs/dbraw/zinc/08/47/84/495084784.db2.gz WVJSUBBFOGTCRL-PMACEKPBSA-N 0 3 354.475 3.258 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(CN3CCOCC3)CC2)ccc1OC ZINC000134138197 495111946 /nfs/dbraw/zinc/11/19/46/495111946.db2.gz MRHILUQFIAYQDE-UHFFFAOYSA-N 0 3 374.525 3.194 20 30 FGEDHN CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000123327637 495115277 /nfs/dbraw/zinc/11/52/77/495115277.db2.gz RGIWVLUGKLLYOX-VQTJNVASSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCCN1CC ZINC000111882766 495124930 /nfs/dbraw/zinc/12/49/30/495124930.db2.gz XAHSWIAOOVCDOK-SFHVURJKSA-N 0 3 360.458 3.167 20 30 FGEDHN COc1cc(CN(CCC(=O)Nc2sccc2C#N)C2CC2)ccc1O ZINC000128655234 495131073 /nfs/dbraw/zinc/13/10/73/495131073.db2.gz LRJLAQOJPNGIJY-UHFFFAOYSA-N 0 3 371.462 3.327 20 30 FGEDHN C[C@H](CCS(C)(=O)=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000134575700 495170209 /nfs/dbraw/zinc/17/02/09/495170209.db2.gz DWIMEDDXNJWRGL-MRXNPFEDSA-N 0 3 372.490 3.050 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000112532452 495202433 /nfs/dbraw/zinc/20/24/33/495202433.db2.gz VQGXKQMWKKVYOV-SJORKVTESA-N 0 3 366.465 3.072 20 30 FGEDHN C[C@H]1CCC[C@H](OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000112632198 495214976 /nfs/dbraw/zinc/21/49/76/495214976.db2.gz QMKVWUPQHVHYRQ-PXNSSMCTSA-N 0 3 357.498 3.044 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2NC(=O)C(C)(C)C)CC1 ZINC000112905826 495255045 /nfs/dbraw/zinc/25/50/45/495255045.db2.gz HLHFFQHPQHGLMV-UHFFFAOYSA-N 0 3 357.498 3.442 20 30 FGEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1 ZINC000104226748 495272465 /nfs/dbraw/zinc/27/24/65/495272465.db2.gz MOLFVAHJDMPYOR-GOSISDBHSA-N 0 3 358.486 3.443 20 30 FGEDHN C#CCOc1ccc(CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000113327853 495296631 /nfs/dbraw/zinc/29/66/31/495296631.db2.gz WVOUXBYGFXIBFO-NRFANRHFSA-N 0 3 364.445 3.106 20 30 FGEDHN N#CCCn1cc(CNC[C@H](O)C2CCCCC2)c(-c2ccccc2)n1 ZINC000113334836 495297872 /nfs/dbraw/zinc/29/78/72/495297872.db2.gz MQPLAULBYGSSTK-FQEVSTJZSA-N 0 3 352.482 3.495 20 30 FGEDHN C=CCOc1cccc(CNc2ccc3oc(=O)n(CCN(C)C)c3c2)c1 ZINC000124687971 495328281 /nfs/dbraw/zinc/32/82/81/495328281.db2.gz IOOSTIQXSFZXRE-UHFFFAOYSA-N 0 3 367.449 3.333 20 30 FGEDHN N#Cc1cnc(C(=O)N(CCN2CCCCCC2)C2CCC2)c(Cl)c1 ZINC000577684247 505775174 /nfs/dbraw/zinc/77/51/74/505775174.db2.gz DWXIQRABTHRYNK-UHFFFAOYSA-N 0 3 360.889 3.477 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2cccc(OCCC)c2)CC1 ZINC000136212521 495364273 /nfs/dbraw/zinc/36/42/73/495364273.db2.gz ZAXKDFNVNRYBCA-UHFFFAOYSA-N 0 3 359.514 3.358 20 30 FGEDHN CCCN1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000114462740 495378269 /nfs/dbraw/zinc/37/82/69/495378269.db2.gz DXOQRCSVOHZYFP-KRWDZBQOSA-N 0 3 374.554 3.295 20 30 FGEDHN COC[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000136638265 495392008 /nfs/dbraw/zinc/39/20/08/495392008.db2.gz YRIUQXPUFABYKO-WBMJQRKESA-N 0 3 361.511 3.230 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2cnnc2)cc1)c1nc(-c2ccncc2)cs1 ZINC000114621213 495400222 /nfs/dbraw/zinc/40/02/22/495400222.db2.gz VDQXZNAVYCJCBY-INIZCTEOSA-N 0 3 372.413 3.276 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114642648 495403160 /nfs/dbraw/zinc/40/31/60/495403160.db2.gz ABFOTVXCRQCMHB-FXAWDEMLSA-N 0 3 363.461 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(OCc3ccccc3)c2)CC1 ZINC000106034732 495406111 /nfs/dbraw/zinc/40/61/11/495406111.db2.gz PKTSBDDNAZXJRI-UHFFFAOYSA-N 0 3 365.477 3.431 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)COc2ccc(F)cc2F)CC1 ZINC000106266326 495440928 /nfs/dbraw/zinc/44/09/28/495440928.db2.gz LOVWKUUEWTXCNH-CQSZACIVSA-N 0 3 367.440 3.072 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000106349494 495447416 /nfs/dbraw/zinc/44/74/16/495447416.db2.gz DQAQKJUCTBWTJB-UHFFFAOYSA-N 0 3 357.498 3.079 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130927709 495467626 /nfs/dbraw/zinc/46/76/26/495467626.db2.gz WLNZAPGQZFUVAO-UHFFFAOYSA-N 0 3 364.405 3.460 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000115435641 495503892 /nfs/dbraw/zinc/50/38/92/495503892.db2.gz PVJIRXQIKCTUGB-MRXNPFEDSA-N 0 3 367.449 3.144 20 30 FGEDHN COC(=O)[C@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000154393867 495603366 /nfs/dbraw/zinc/60/33/66/495603366.db2.gz RTFLZLPMYDRXRB-AAEUAGOBSA-N 0 3 360.460 3.281 20 30 FGEDHN CCn1c(NC(=O)C2Oc3ccccc3O[C@@H]2C)nc2cc(C#N)ccc21 ZINC000179534269 495631893 /nfs/dbraw/zinc/63/18/93/495631893.db2.gz GZTYUSKVXZWHRF-KZULUSFZSA-N 0 3 362.389 3.095 20 30 FGEDHN COC(=O)[C@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000176714510 495760125 /nfs/dbraw/zinc/76/01/25/495760125.db2.gz STZUXUPTNAXQNT-LEWJYISDSA-N 0 3 363.461 3.199 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNC[C@@]3(O)CCSC3)c2)c1 ZINC000176750399 495772531 /nfs/dbraw/zinc/77/25/31/495772531.db2.gz UBUGEECIBKBSNK-FQEVSTJZSA-N 0 3 354.475 3.095 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CCC(CC(N)=O)CC3)c2)c1 ZINC000159815034 495815620 /nfs/dbraw/zinc/81/56/20/495815620.db2.gz WEVKVRBXHKCHBV-UHFFFAOYSA-N 0 3 363.461 3.225 20 30 FGEDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000183105720 495836997 /nfs/dbraw/zinc/83/69/97/495836997.db2.gz NRSQGDVSRTYGRF-IFXJQAMLSA-N 0 3 365.433 3.119 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000176949659 495853522 /nfs/dbraw/zinc/85/35/22/495853522.db2.gz MLWSIIHOCWKDIF-CYBMUJFWSA-N 0 3 355.463 3.128 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)s1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000176963386 495860428 /nfs/dbraw/zinc/86/04/28/495860428.db2.gz VQYBCNROKSMQLT-CQSZACIVSA-N 0 3 358.486 3.361 20 30 FGEDHN CCOC(=O)C[C@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000183184077 495871057 /nfs/dbraw/zinc/87/10/57/495871057.db2.gz ZHDZSUMRWIJIFM-INIZCTEOSA-N 0 3 354.454 3.237 20 30 FGEDHN COc1ccc(CNCc2ccc(NC(=O)NC(C)C)cc2)cc1C#N ZINC000174285296 495895426 /nfs/dbraw/zinc/89/54/26/495895426.db2.gz HKNCYHNQMBRDTO-UHFFFAOYSA-N 0 3 352.438 3.387 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](C3(C)OCCO3)C2)cc1OCCCC#N ZINC000183244862 495896825 /nfs/dbraw/zinc/89/68/25/495896825.db2.gz BEBJPWSMOLJGDH-GOSISDBHSA-N 0 3 374.481 3.353 20 30 FGEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000568937435 505812611 /nfs/dbraw/zinc/81/26/11/505812611.db2.gz BUGKTGKTQAXIIZ-HOTGVXAUSA-N 0 3 364.371 3.413 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000174377409 495933462 /nfs/dbraw/zinc/93/34/62/495933462.db2.gz APLLDYDJLHEGFF-HOTGVXAUSA-N 0 3 359.433 3.422 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000171719570 496005997 /nfs/dbraw/zinc/00/59/97/496005997.db2.gz FBTKDFGNHLCFFH-UHFFFAOYSA-N 0 3 350.466 3.130 20 30 FGEDHN C=CCN1CCC(NC(=O)/C=C/c2cccc(OC)c2OC(F)F)CC1 ZINC000171723814 496008445 /nfs/dbraw/zinc/00/84/45/496008445.db2.gz XEQPENRXYMXFND-BQYQJAHWSA-N 0 3 366.408 3.076 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000171724174 496008516 /nfs/dbraw/zinc/00/85/16/496008516.db2.gz TXTFJPCJHTVCCD-UHFFFAOYSA-N 0 3 369.490 3.381 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cn2CC)CC1 ZINC000171728516 496009520 /nfs/dbraw/zinc/00/95/20/496009520.db2.gz QMEGKBOICOFKJD-UHFFFAOYSA-N 0 3 354.292 3.041 20 30 FGEDHN COc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000180557149 496042877 /nfs/dbraw/zinc/04/28/77/496042877.db2.gz IWQGZUFVBVRMJW-OAHLLOKOSA-N 0 3 353.422 3.104 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)NC1(C#N)CCCCC1 ZINC000160864866 496056286 /nfs/dbraw/zinc/05/62/86/496056286.db2.gz LGWYZDYYDHEQDH-IRXDYDNUSA-N 0 3 365.481 3.254 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000174679567 496058292 /nfs/dbraw/zinc/05/82/92/496058292.db2.gz RSCLZWMOIYPLIB-UPVQGACJSA-N 0 3 373.500 3.353 20 30 FGEDHN CC[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000180633867 496079063 /nfs/dbraw/zinc/07/90/63/496079063.db2.gz LIWVHANXDNCULP-SFHVURJKSA-N 0 3 365.433 3.399 20 30 FGEDHN CS[C@H](CO)[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000152458580 496159014 /nfs/dbraw/zinc/15/90/14/496159014.db2.gz ALMYXGYMCVNPQR-FOIQADDNSA-N 0 3 356.491 3.339 20 30 FGEDHN N#Cc1csc(CNC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000177692683 496161143 /nfs/dbraw/zinc/16/11/43/496161143.db2.gz NXAHNDLXBAXPGZ-GOSISDBHSA-N 0 3 361.898 3.436 20 30 FGEDHN CC(C)c1cccc2c1OCCC[C@H]2NCCNC(=O)C1N=CC=CC1=O ZINC000180875174 496181063 /nfs/dbraw/zinc/18/10/63/496181063.db2.gz WFORLTWQLPIZQW-DPPKGPFUSA-N 0 3 369.465 3.140 20 30 FGEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccncc1 ZINC000156191910 496182511 /nfs/dbraw/zinc/18/25/11/496182511.db2.gz OCQBLYGDAOIBJG-KRWDZBQOSA-N 0 3 350.466 3.037 20 30 FGEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000152564276 496189407 /nfs/dbraw/zinc/18/94/07/496189407.db2.gz RWAWWFQHILSXQD-SFHVURJKSA-N 0 3 369.465 3.436 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180897422 496190544 /nfs/dbraw/zinc/19/05/44/496190544.db2.gz AUZZPTLUCUFNAZ-DLBZAZTESA-N 0 3 350.466 3.407 20 30 FGEDHN CN1c2ccc(CN3CCCN(c4ccccc4C#N)CC3)cc2CCC1=O ZINC000186905526 496204892 /nfs/dbraw/zinc/20/48/92/496204892.db2.gz UYFSCLUZYGWECM-UHFFFAOYSA-N 0 3 374.488 3.180 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000180983166 496228820 /nfs/dbraw/zinc/22/88/20/496228820.db2.gz WWBNAHKVDHYDID-QZTJIDSGSA-N 0 3 363.889 3.120 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(C2CC2)CC1 ZINC000172539975 496333726 /nfs/dbraw/zinc/33/37/26/496333726.db2.gz WCSGVYNSUFTYSB-INIZCTEOSA-N 0 3 372.538 3.047 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000181300723 496345298 /nfs/dbraw/zinc/34/52/98/496345298.db2.gz CQODSIMIRHJDTO-UXHICEINSA-N 0 3 373.460 3.256 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181403818 496381728 /nfs/dbraw/zinc/38/17/28/496381728.db2.gz GLKZPAPIJNSIFP-OKZBNKHCSA-N 0 3 351.535 3.262 20 30 FGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000178286538 496400031 /nfs/dbraw/zinc/40/00/31/496400031.db2.gz MMRBZPIVLGJKDX-MRXNPFEDSA-N 0 3 357.475 3.094 20 30 FGEDHN C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181530297 496433366 /nfs/dbraw/zinc/43/33/66/496433366.db2.gz ZRYFEKQWSIODIE-GOSISDBHSA-N 0 3 365.477 3.272 20 30 FGEDHN C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181583054 496455975 /nfs/dbraw/zinc/45/59/75/496455975.db2.gz LCLKKTLIZYPZER-SFHVURJKSA-N 0 3 365.477 3.120 20 30 FGEDHN COc1ccc(CNc2cc(CN(C)C)ccn2)cc1OCCCC#N ZINC000157462789 496481275 /nfs/dbraw/zinc/48/12/75/496481275.db2.gz ZFPVINMVYXNSEP-UHFFFAOYSA-N 0 3 354.454 3.446 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173115616 496556437 /nfs/dbraw/zinc/55/64/37/496556437.db2.gz QWBLUMKUUZJTGC-JKSUJKDBSA-N 0 3 356.495 3.416 20 30 FGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000163787813 496558285 /nfs/dbraw/zinc/55/82/85/496558285.db2.gz NRACHOYWXHDTFG-QGZVFWFLSA-N 0 3 366.461 3.016 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578059860 505852062 /nfs/dbraw/zinc/85/20/62/505852062.db2.gz UAFVWUJROJGOQS-FCHUYYIVSA-N 0 3 374.488 3.222 20 30 FGEDHN COC[C@](C)(CCO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000175853924 496573406 /nfs/dbraw/zinc/57/34/06/496573406.db2.gz RNGWDRITTJCGBG-NRFANRHFSA-N 0 3 354.450 3.014 20 30 FGEDHN C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N1[C@H](C)CC[C@H]1C ZINC000175862001 496576843 /nfs/dbraw/zinc/57/68/43/496576843.db2.gz ZCMNCCDIQLKHFF-KFWWJZLASA-N 0 3 352.400 3.434 20 30 FGEDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000173201992 496591099 /nfs/dbraw/zinc/59/10/99/496591099.db2.gz DFGAQNDRWHGEPH-HOTGVXAUSA-N 0 3 359.433 3.422 20 30 FGEDHN CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CCCN(C)C1 ZINC000153827433 496593492 /nfs/dbraw/zinc/59/34/92/496593492.db2.gz UBFQHDZBKLXZFW-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1nccs1 ZINC000157957947 496594940 /nfs/dbraw/zinc/59/49/40/496594940.db2.gz XMJRRZFGHFNGSG-UHFFFAOYSA-N 0 3 360.508 3.068 20 30 FGEDHN CN(CCCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC000158055537 496617493 /nfs/dbraw/zinc/61/74/93/496617493.db2.gz LFJANOBCQJWAGS-UHFFFAOYSA-N 0 3 365.477 3.354 20 30 FGEDHN CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CCCN(C)C1 ZINC000153906999 496620630 /nfs/dbraw/zinc/62/06/30/496620630.db2.gz NNSMZYSCRFXFSU-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)Nc3ccc(F)c(C#N)c3)cc2)CC1 ZINC000175979046 496627640 /nfs/dbraw/zinc/62/76/40/496627640.db2.gz WBYBQMSGWCNBMR-UHFFFAOYSA-N 0 3 352.413 3.092 20 30 FGEDHN N#CCCn1cc(CN[C@H]2CCN(c3ccccn3)C2)c(-c2ccccc2)n1 ZINC000181993547 496627584 /nfs/dbraw/zinc/62/75/84/496627584.db2.gz FURHCPVVHULCRN-FQEVSTJZSA-N 0 3 372.476 3.227 20 30 FGEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000179102508 496675467 /nfs/dbraw/zinc/67/54/67/496675467.db2.gz KUSQTGJSYFPFEL-NRFANRHFSA-N 0 3 371.444 3.423 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000173425595 496687776 /nfs/dbraw/zinc/68/77/76/496687776.db2.gz YJSCBISYIDMZPR-QGZVFWFLSA-N 0 3 372.513 3.074 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000580886318 505861127 /nfs/dbraw/zinc/86/11/27/505861127.db2.gz IVYQYTMYKAEROT-ZBFHGGJFSA-N 0 3 354.479 3.082 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3cccc(F)c3C#N)cc2)CC1 ZINC000188232979 496720492 /nfs/dbraw/zinc/72/04/92/496720492.db2.gz MJUFXKNYEYIAIN-UHFFFAOYSA-N 0 3 366.440 3.087 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCCc4sccc43)C2=O)cc1 ZINC000277364521 496750485 /nfs/dbraw/zinc/75/04/85/496750485.db2.gz WNVPMGCRZPQEIH-MSOLQXFVSA-N 0 3 351.475 3.388 20 30 FGEDHN COc1cccc(C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000194966628 496775878 /nfs/dbraw/zinc/77/58/78/496775878.db2.gz GHYAZJRROLUMTF-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc3sccc3c2)cc1 ZINC000571993885 505865141 /nfs/dbraw/zinc/86/51/41/505865141.db2.gz NXDKRYYIWYJJGC-GOSISDBHSA-N 0 3 352.459 3.497 20 30 FGEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273440750 496807378 /nfs/dbraw/zinc/80/73/78/496807378.db2.gz NEBNCHCEVXNVQC-MOPGFXCFSA-N 0 3 373.472 3.320 20 30 FGEDHN C#CCOc1ccc([C@@H](C)NCCc2nc(C(=O)OCC)cs2)cc1 ZINC000191554863 496809181 /nfs/dbraw/zinc/80/91/81/496809181.db2.gz TUQBZZFOBVBTOQ-CQSZACIVSA-N 0 3 358.463 3.225 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@]2(CO)CC(C)C)c1C ZINC000191643387 496843465 /nfs/dbraw/zinc/84/34/65/496843465.db2.gz FHLCOIIXYWCDID-QFIPXVFZSA-N 0 3 371.525 3.423 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000269622775 496979108 /nfs/dbraw/zinc/97/91/08/496979108.db2.gz RGNMVBLTESHXSU-LXXRFIIISA-N 0 3 360.461 3.308 20 30 FGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000192150805 497013737 /nfs/dbraw/zinc/01/37/37/497013737.db2.gz LQZWADLAZTXJLW-AWEZNQCLSA-N 0 3 367.424 3.206 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000270012685 497040559 /nfs/dbraw/zinc/04/05/59/497040559.db2.gz MLBTYDZSCIFLEV-PIKADFDJSA-N 0 3 371.456 3.008 20 30 FGEDHN N#Cc1ccc(CNCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000236617200 497122121 /nfs/dbraw/zinc/12/21/21/497122121.db2.gz GWVJNUVOGXLTSI-UHFFFAOYSA-N 0 3 358.239 3.439 20 30 FGEDHN COc1ccc([C@@H](NC[C@H](O)COc2ccc(C#N)cc2)C2CC2)cc1 ZINC000192476092 497127150 /nfs/dbraw/zinc/12/71/50/497127150.db2.gz UNWMHILPYHPTID-RXVVDRJESA-N 0 3 352.434 3.047 20 30 FGEDHN N#Cc1sc(NCc2ccccc2CN2CCC(O)CC2)nc1Cl ZINC000278477479 497129147 /nfs/dbraw/zinc/12/91/47/497129147.db2.gz DXTVVUFRCLZMGD-UHFFFAOYSA-N 0 3 362.886 3.237 20 30 FGEDHN Cn1cc(Br)cc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000192922022 497247420 /nfs/dbraw/zinc/24/74/20/497247420.db2.gz JHQOYAFHQHQONX-NSHDSACASA-N 0 3 355.195 3.221 20 30 FGEDHN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000572120317 505894955 /nfs/dbraw/zinc/89/49/55/505894955.db2.gz QNWDDJNCOXMOLF-CVEARBPZSA-N 0 3 374.558 3.129 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000237690828 497277289 /nfs/dbraw/zinc/27/72/89/497277289.db2.gz HLTNBJQJCQAKDR-BEFAXECRSA-N 0 3 353.422 3.446 20 30 FGEDHN N#CC(CCN1CCC[C@H](OCCO)C1)(c1ccccc1)c1ccccc1 ZINC000193054899 497289220 /nfs/dbraw/zinc/28/92/20/497289220.db2.gz SJBSRDBHNLNLTM-QFIPXVFZSA-N 0 3 364.489 3.360 20 30 FGEDHN N#Cc1ccc(NCc2ccccc2CN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000266291886 497297011 /nfs/dbraw/zinc/29/70/11/497297011.db2.gz WULITLACWWGOPJ-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(C#N)c1C ZINC000279248375 497381558 /nfs/dbraw/zinc/38/15/58/497381558.db2.gz KXKNUEACBNHUAR-XKQJLSEDSA-N 0 3 359.495 3.112 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Br)c(C)c2F)CC1 ZINC000279271380 497389111 /nfs/dbraw/zinc/38/91/11/497389111.db2.gz RSCUVIGBATWOPY-UHFFFAOYSA-N 0 3 355.251 3.277 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](OC)c2ccccc2F)CC1 ZINC000271802262 497455173 /nfs/dbraw/zinc/45/51/73/497455173.db2.gz KXSYSMUULPGWGJ-DNVCBOLYSA-N 0 3 363.477 3.241 20 30 FGEDHN C=CCCN(C)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000276040608 497485793 /nfs/dbraw/zinc/48/57/93/497485793.db2.gz FWZJTVWJEQZFJH-UHFFFAOYSA-N 0 3 359.514 3.275 20 30 FGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000245911105 497568390 /nfs/dbraw/zinc/56/83/90/497568390.db2.gz FUPPCICZHNJHOE-UYAOXDASSA-N 0 3 352.482 3.447 20 30 FGEDHN COc1ccccc1[C@@H](CNCc1cc(C#N)n(C)c1)N1CCCCC1 ZINC000190798374 497607297 /nfs/dbraw/zinc/60/72/97/497607297.db2.gz PJUNPWIAIKTYBB-HXUWFJFHSA-N 0 3 352.482 3.222 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000575096993 505920011 /nfs/dbraw/zinc/92/00/11/505920011.db2.gz MUPPSXKWOSQORF-UYAOXDASSA-N 0 3 368.868 3.185 20 30 FGEDHN C=C(C)CN1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272493851 497642404 /nfs/dbraw/zinc/64/24/04/497642404.db2.gz FMAYRBNIQLQWBO-IBGZPJMESA-N 0 3 369.469 3.048 20 30 FGEDHN N#CC(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1cnc2ccccc2n1 ZINC000190985443 497672119 /nfs/dbraw/zinc/67/21/19/497672119.db2.gz IJEVQCOKTQPOSZ-MRXNPFEDSA-N 0 3 356.385 3.468 20 30 FGEDHN COCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000280188096 497674870 /nfs/dbraw/zinc/67/48/70/497674870.db2.gz YPRHEVYXLMTIDX-IBGZPJMESA-N 0 3 353.466 3.344 20 30 FGEDHN CC(C)[C@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272694103 497703988 /nfs/dbraw/zinc/70/39/88/497703988.db2.gz DXHNTNBILKMXGS-NHCUHLMSSA-N 0 3 371.525 3.290 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(CC)nc1C(F)(F)F)C(C)C ZINC000280532277 497782019 /nfs/dbraw/zinc/78/20/19/497782019.db2.gz CBDRYTOLNRTPIS-HNNXBMFYSA-N 0 3 372.435 3.350 20 30 FGEDHN N#Cc1ccsc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000364198835 497837228 /nfs/dbraw/zinc/83/72/28/497837228.db2.gz GTBNMUYNOLNFPL-MSOLQXFVSA-N 0 3 351.475 3.499 20 30 FGEDHN C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CC[C@@H]1c1ccccc1 ZINC000329898919 497944425 /nfs/dbraw/zinc/94/44/25/497944425.db2.gz MPQFOYMADJVZLM-AOIWGVFYSA-N 0 3 352.482 3.485 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)CC2)N2CCCC2)cc1 ZINC000329901499 497945740 /nfs/dbraw/zinc/94/57/40/497945740.db2.gz GZICONKKMQNQBI-FPOVZHCZSA-N 0 3 359.514 3.283 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000329929578 497956790 /nfs/dbraw/zinc/95/67/90/497956790.db2.gz NQHGTVCVPVMRLL-JUSBFGHESA-N 0 3 357.498 3.283 20 30 FGEDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C12CCOCC2 ZINC000329983337 497980157 /nfs/dbraw/zinc/98/01/57/497980157.db2.gz BBWOSDQKYKOFDT-OKZBNKHCSA-N 0 3 350.503 3.324 20 30 FGEDHN CC(C(=O)N[C@H](c1cccs1)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000330058757 498007460 /nfs/dbraw/zinc/00/74/60/498007460.db2.gz ZLFKIPAOJAYXLJ-ABAIWWIYSA-N 0 3 357.497 3.138 20 30 FGEDHN C[C@@]1(c2cccc(C(=O)NC3CC([NH+]4CCCCC4)C3)c2)NC(=O)[N-]C1=O ZINC000330113280 498026360 /nfs/dbraw/zinc/02/63/60/498026360.db2.gz SBCIPJHDTZSGFR-PMTKGXAQSA-N 0 3 370.453 3.107 20 30 FGEDHN CC(C)C1CCC(CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1 ZINC000330206223 498060635 /nfs/dbraw/zinc/06/06/35/498060635.db2.gz DZCJWGZSNBJBSB-UHFFFAOYSA-N 0 3 361.534 3.360 20 30 FGEDHN Cc1ccccc1C(C)(C)CNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000330217150 498065152 /nfs/dbraw/zinc/06/51/52/498065152.db2.gz NPVWGFJRTWEMIN-UHFFFAOYSA-N 0 3 369.513 3.184 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000578586634 505973996 /nfs/dbraw/zinc/97/39/96/505973996.db2.gz HKGAISHOIXSPFA-LJQANCHMSA-N 0 3 362.481 3.066 20 30 FGEDHN CC(C)[C@H](CNc1ccc(C#N)cc1C(F)(F)F)N1CCN(C)CC1 ZINC000301355235 498072225 /nfs/dbraw/zinc/07/22/25/498072225.db2.gz KGCBZNNDGQHNDC-KRWDZBQOSA-N 0 3 354.420 3.261 20 30 FGEDHN CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000330243366 498075747 /nfs/dbraw/zinc/07/57/47/498075747.db2.gz CQSHLGCXWVEDDR-KSZLIROESA-N 0 3 361.534 3.464 20 30 FGEDHN CCN1CCN([C@H](C)CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301533162 498150861 /nfs/dbraw/zinc/15/08/61/498150861.db2.gz QBNKIZLMIQOBNM-CQSZACIVSA-N 0 3 357.889 3.198 20 30 FGEDHN Cc1nc(C2CCN(Cc3cccn3Cc3ccccc3C#N)CC2)n[nH]1 ZINC000364847993 498171106 /nfs/dbraw/zinc/17/11/06/498171106.db2.gz PMJOXMGWIQUZBV-UHFFFAOYSA-N 0 3 360.465 3.214 20 30 FGEDHN Cc1n[nH]c(C2CCN(Cc3cccn3Cc3ccccc3C#N)CC2)n1 ZINC000364847993 498171111 /nfs/dbraw/zinc/17/11/11/498171111.db2.gz PMJOXMGWIQUZBV-UHFFFAOYSA-N 0 3 360.465 3.214 20 30 FGEDHN CC(C)NC(=O)Nc1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000330676184 498171595 /nfs/dbraw/zinc/17/15/95/498171595.db2.gz AACBAZOQAINFRN-MRXNPFEDSA-N 0 3 360.502 3.271 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000330710446 498178371 /nfs/dbraw/zinc/17/83/71/498178371.db2.gz PFSAUTNSRQNRSM-LBPRGKRZSA-N 0 3 374.407 3.230 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301595023 498179670 /nfs/dbraw/zinc/17/96/70/498179670.db2.gz YTOZPNGRPPYXLF-HZPDHXFCSA-N 0 3 372.469 3.182 20 30 FGEDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)C1 ZINC000292888628 498185643 /nfs/dbraw/zinc/18/56/43/498185643.db2.gz YOHRGLRMVNXAHI-MRXNPFEDSA-N 0 3 352.360 3.137 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1CCC(C#N)CC1 ZINC000281603038 498209220 /nfs/dbraw/zinc/20/92/20/498209220.db2.gz AMCACLPDORMJFB-UHFFFAOYSA-N 0 3 360.477 3.229 20 30 FGEDHN N#Cc1cccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000285832687 498213543 /nfs/dbraw/zinc/21/35/43/498213543.db2.gz HGWQOIXRBMWSDI-NJDAHSKKSA-N 0 3 361.445 3.001 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000330904061 498214347 /nfs/dbraw/zinc/21/43/47/498214347.db2.gz YSFMWTVNNBGHOV-LBPRGKRZSA-N 0 3 374.407 3.230 20 30 FGEDHN COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000330999135 498233220 /nfs/dbraw/zinc/23/32/20/498233220.db2.gz ZEGJTPMLBKYDOY-OAHLLOKOSA-N 0 3 361.486 3.416 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(F)c2Br)CC1 ZINC000293034960 498244419 /nfs/dbraw/zinc/24/44/19/498244419.db2.gz JGDUQTYBIDVATH-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN CCN1CCC[C@H](NC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000331142788 498261422 /nfs/dbraw/zinc/26/14/22/498261422.db2.gz FYGVMQAIMSFEEL-ZJUUUORDSA-N 0 3 350.410 3.211 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000575794920 506006660 /nfs/dbraw/zinc/00/66/60/506006660.db2.gz NHGCCZHEQNKPHN-MRXNPFEDSA-N 0 3 369.431 3.357 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ccc(OC(F)F)cn3)CC2)cc1 ZINC000301800452 498269013 /nfs/dbraw/zinc/26/90/13/498269013.db2.gz BXMJJSPMPYDHHW-UHFFFAOYSA-N 0 3 358.392 3.267 20 30 FGEDHN CC(C)NC(=O)Nc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000331311319 498297730 /nfs/dbraw/zinc/29/77/30/498297730.db2.gz ZQKHJTNLGUFMFW-UHFFFAOYSA-N 0 3 360.502 3.273 20 30 FGEDHN CN(C)[C@]1(CNC(=O)c2cccc(C#N)c2Br)CCSC1 ZINC000331314933 498299729 /nfs/dbraw/zinc/29/97/29/498299729.db2.gz IIQWFULPYGHBIF-HNNXBMFYSA-N 0 3 368.300 3.063 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000360809355 498312238 /nfs/dbraw/zinc/31/22/38/498312238.db2.gz JTWWEKLEUQRRIH-AZUAARDMSA-N 0 3 357.498 3.104 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000281928247 498321309 /nfs/dbraw/zinc/32/13/09/498321309.db2.gz ZNWAGNKSWUBJNK-VQTJNVASSA-N 0 3 359.514 3.261 20 30 FGEDHN N#CC1(CCCN2CCC(NC(=O)Nc3ccccc3)CC2)CCOCC1 ZINC000281955727 498333369 /nfs/dbraw/zinc/33/33/69/498333369.db2.gz JXRSKOYEQURWHB-UHFFFAOYSA-N 0 3 370.497 3.373 20 30 FGEDHN CN1CCN([C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)c2cccs2)CC1 ZINC000572652609 506020689 /nfs/dbraw/zinc/02/06/89/506020689.db2.gz HPSDEWSLJVDMMV-UXHICEINSA-N 0 3 366.534 3.185 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2CO[C@H](C)C2)cc1OC ZINC000575868204 506021661 /nfs/dbraw/zinc/02/16/61/506021661.db2.gz VKGFXNSBFOUOEV-DGCLKSJQSA-N 0 3 356.260 3.290 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CCC[C@H]2CCO)ccc1Cl ZINC000286322222 498363111 /nfs/dbraw/zinc/36/31/11/498363111.db2.gz WPUDCBKZKCAIBG-YJBOKZPZSA-N 0 3 363.889 3.036 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCC[C@@H]2CCO)c1 ZINC000286390749 498382759 /nfs/dbraw/zinc/38/27/59/498382759.db2.gz ZODNDKMKGBNBGF-NLWGTHIKSA-N 0 3 357.498 3.079 20 30 FGEDHN N#Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000361515733 498402897 /nfs/dbraw/zinc/40/28/97/498402897.db2.gz KQMYZODEUIEYGE-SFTDATJTSA-N 0 3 360.461 3.222 20 30 FGEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2Cc2ccccc2)cn1 ZINC000361515731 498403681 /nfs/dbraw/zinc/40/36/81/498403681.db2.gz KQMYZODEUIEYGE-NHCUHLMSSA-N 0 3 360.461 3.222 20 30 FGEDHN COc1ccccc1[C@H](CNc1nc2ccccn2c1C#N)N1CCCC1 ZINC000302102974 498405304 /nfs/dbraw/zinc/40/53/04/498405304.db2.gz QRFZGRWPPFPPDG-SFHVURJKSA-N 0 3 361.449 3.464 20 30 FGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331657459 498411780 /nfs/dbraw/zinc/41/17/80/498411780.db2.gz XSEDXSJWONUPDJ-OPTDIUSFSA-N 0 3 355.482 3.147 20 30 FGEDHN N#Cc1c(NCCCCN2CCN(c3ccccc3)CC2)nc2ccccn12 ZINC000302124481 498412651 /nfs/dbraw/zinc/41/26/51/498412651.db2.gz ZGENRTYWHQQKCZ-UHFFFAOYSA-N 0 3 374.492 3.220 20 30 FGEDHN CN(CCC#N)c1ccc(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000293572078 498415871 /nfs/dbraw/zinc/41/58/71/498415871.db2.gz HBBMPVDKSBUXRG-FQEVSTJZSA-N 0 3 352.482 3.281 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)C1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000286541137 498429445 /nfs/dbraw/zinc/42/94/45/498429445.db2.gz YTDLNBJCRFFUHF-QGZVFWFLSA-N 0 3 363.889 3.159 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000290142147 498439206 /nfs/dbraw/zinc/43/92/06/498439206.db2.gz MTYPJYZWONUVBF-XLIONFOSSA-N 0 3 354.494 3.259 20 30 FGEDHN C[C@@H](N[C@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccc(C#N)s1 ZINC000362037510 498456209 /nfs/dbraw/zinc/45/62/09/498456209.db2.gz IXPCIXDRFWVWOJ-KGLIPLIRSA-N 0 3 354.479 3.038 20 30 FGEDHN CN(C)C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(F)cc1 ZINC000287057013 498610151 /nfs/dbraw/zinc/61/01/51/498610151.db2.gz PPOQXQHSEZKXJB-SFHVURJKSA-N 0 3 356.401 3.152 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000287068627 498615564 /nfs/dbraw/zinc/61/55/64/498615564.db2.gz HUAGJSMZBYBGSX-GJZGRUSLSA-N 0 3 371.462 3.298 20 30 FGEDHN Cc1csc(NC(=O)C2CCN(CCOc3ccccc3C#N)CC2)n1 ZINC000363074885 498637856 /nfs/dbraw/zinc/63/78/56/498637856.db2.gz CGEDBESZUXOSQM-UHFFFAOYSA-N 0 3 370.478 3.053 20 30 FGEDHN CC1(c2ccccc2)CC(NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000570037639 506075112 /nfs/dbraw/zinc/07/51/12/506075112.db2.gz VDLYWHIZZZGHKN-UHFFFAOYSA-N 0 3 354.475 3.042 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000581869216 506078821 /nfs/dbraw/zinc/07/88/21/506078821.db2.gz LVYSLLUALPTOLX-WFASDCNBSA-N 0 3 350.447 3.063 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1 ZINC000287453983 498762457 /nfs/dbraw/zinc/76/24/57/498762457.db2.gz XDHLHEFJSNQAFT-CQSZACIVSA-N 0 3 371.462 3.429 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC000287468567 498767176 /nfs/dbraw/zinc/76/71/76/498767176.db2.gz YCAUTOPUZSSEMT-AWEZNQCLSA-N 0 3 369.446 3.183 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000363392290 498796027 /nfs/dbraw/zinc/79/60/27/498796027.db2.gz FUXDCPRDHHWSGT-UHFFFAOYSA-N 0 3 352.482 3.194 20 30 FGEDHN C=CC[C@H](CO)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000321018137 498811163 /nfs/dbraw/zinc/81/11/63/498811163.db2.gz NRJVXTRBIMVITL-SNVBAGLBSA-N 0 3 354.166 3.374 20 30 FGEDHN C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)N(C)C ZINC000298701542 498854576 /nfs/dbraw/zinc/85/45/76/498854576.db2.gz WAMZRYALWZOMBL-MRXNPFEDSA-N 0 3 366.465 3.403 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC4(CCC(O)CC4)CC3)C2=O)cc1 ZINC000570159380 506104572 /nfs/dbraw/zinc/10/45/72/506104572.db2.gz ANEJNXYLCYXRLP-HXUWFJFHSA-N 0 3 367.493 3.071 20 30 FGEDHN Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(C#N)s2)cs1 ZINC000328624531 498878816 /nfs/dbraw/zinc/87/88/16/498878816.db2.gz CLWGJUASPLBYQE-JSGCOSHPSA-N 0 3 350.488 3.087 20 30 FGEDHN C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)NCCN1CCCCC1 ZINC000328764818 498931219 /nfs/dbraw/zinc/93/12/19/498931219.db2.gz GLTDNIBORVJQRN-VPSFDDGASA-N 0 3 363.502 3.169 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)C[C@](C)(O)C1CC1)c1ccccc1O2 ZINC000328773604 498933846 /nfs/dbraw/zinc/93/38/46/498933846.db2.gz JYVMTZHWXZDDSX-PXNSSMCTSA-N 0 3 358.482 3.482 20 30 FGEDHN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)C2 ZINC000328798438 498941686 /nfs/dbraw/zinc/94/16/86/498941686.db2.gz WTJXHFKSQDGAFR-APWZRJJASA-N 0 3 373.497 3.394 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](c2ccnn2C)C1)C(C)C ZINC000573088422 506115914 /nfs/dbraw/zinc/11/59/14/506115914.db2.gz JGQBXPPFYGMNHJ-UYAOXDASSA-N 0 3 373.545 3.008 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000576268495 506117220 /nfs/dbraw/zinc/11/72/20/506117220.db2.gz ZTCPFPTYIZJYTL-AZUAARDMSA-N 0 3 368.868 3.185 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@H]2C2CC2)CCN1Cc1ccccc1 ZINC000328842382 498958310 /nfs/dbraw/zinc/95/83/10/498958310.db2.gz PZDHCMITAXJBOW-XLNTUCKNSA-N 0 3 357.498 3.111 20 30 FGEDHN CN(C)CCN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C1CCCC1 ZINC000576296245 506124143 /nfs/dbraw/zinc/12/41/43/506124143.db2.gz IODDHVAFFOCMFC-UHFFFAOYSA-N 0 3 353.426 3.325 20 30 FGEDHN C=CCN(C(=O)N[C@@H]1CCO[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363808360 499003973 /nfs/dbraw/zinc/00/39/73/499003973.db2.gz AMTWXOYEAFNXHO-MISYRCLQSA-N 0 3 357.498 3.026 20 30 FGEDHN C[C@@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000329087379 499038587 /nfs/dbraw/zinc/03/85/87/499038587.db2.gz VCLTVEHLNLOAMT-ZIAGYGMSSA-N 0 3 361.442 3.328 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)[C@H]3CCn4cncc4C3)cc2)CC1 ZINC000329158134 499058500 /nfs/dbraw/zinc/05/85/00/499058500.db2.gz WUGQSPKFUXOFEG-KRWDZBQOSA-N 0 3 368.481 3.075 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000570272848 506129925 /nfs/dbraw/zinc/12/99/25/506129925.db2.gz KJSHHYMDIYJHHK-CABCVRRESA-N 0 3 374.428 3.290 20 30 FGEDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000364024433 499089809 /nfs/dbraw/zinc/08/98/09/499089809.db2.gz XUGVXVCXOJWAKG-IEBWSBKVSA-N 0 3 355.388 3.184 20 30 FGEDHN CC(C(=O)NC[C@@H]1C[C@H]1C1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000329353842 499106886 /nfs/dbraw/zinc/10/68/86/499106886.db2.gz VEPKDMDQTGIDCS-QRTARXTBSA-N 0 3 357.516 3.142 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)[C@H]2C1 ZINC000329458986 499124044 /nfs/dbraw/zinc/12/40/44/499124044.db2.gz RLKQGBBPZRWLAR-UWJYYQICSA-N 0 3 360.461 3.468 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)[C@@H]2C1 ZINC000329458981 499124354 /nfs/dbraw/zinc/12/43/54/499124354.db2.gz RLKQGBBPZRWLAR-DYESRHJHSA-N 0 3 360.461 3.468 20 30 FGEDHN CC1(C)C[C@@H](N2CCC(n3cnc(C#N)n3)CC2)c2ccc(F)cc2O1 ZINC000367322157 499181152 /nfs/dbraw/zinc/18/11/52/499181152.db2.gz NZEIRONUUJNSNE-MRXNPFEDSA-N 0 3 355.417 3.228 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H](c2ccccn2)C2CCCC2)cc1 ZINC000367646237 499220954 /nfs/dbraw/zinc/22/09/54/499220954.db2.gz QIBFZTVWJKINDJ-GHTZIAJQSA-N 0 3 351.450 3.214 20 30 FGEDHN CCOC(=O)c1ccn(-c2cccc(CNCc3ccc(C#N)cc3)c2)n1 ZINC000367669102 499223118 /nfs/dbraw/zinc/22/31/18/499223118.db2.gz KPESIGRSGALHJI-UHFFFAOYSA-N 0 3 360.417 3.210 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000367871144 499240051 /nfs/dbraw/zinc/24/00/51/499240051.db2.gz ZRLQZBLHZPZBLV-UHFFFAOYSA-N 0 3 356.514 3.323 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000367956285 499249277 /nfs/dbraw/zinc/24/92/77/499249277.db2.gz MITZLSPRZAVGLW-UXHICEINSA-N 0 3 358.482 3.169 20 30 FGEDHN N#Cc1ccccc1N1CCC(C[NH2+][C@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000367993589 499252837 /nfs/dbraw/zinc/25/28/37/499252837.db2.gz MOGHULMVQQFSKR-NRFANRHFSA-N 0 3 372.476 3.272 20 30 FGEDHN N#Cc1ccccc1N1CCC(CN[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000367993589 499252838 /nfs/dbraw/zinc/25/28/38/499252838.db2.gz MOGHULMVQQFSKR-NRFANRHFSA-N 0 3 372.476 3.272 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000368061363 499260755 /nfs/dbraw/zinc/26/07/55/499260755.db2.gz IKNJZTAGYCOCER-RDJZCZTQSA-N 0 3 374.897 3.247 20 30 FGEDHN COc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1OCCCC#N ZINC000371382260 499317908 /nfs/dbraw/zinc/31/79/08/499317908.db2.gz IEBYQUFKWOUGBV-UHFFFAOYSA-N 0 3 354.454 3.480 20 30 FGEDHN Cc1noc(C)c1CO[C@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000368851837 499339798 /nfs/dbraw/zinc/33/97/98/499339798.db2.gz BEESPGIQSDBHRT-IBGZPJMESA-N 0 3 355.438 3.223 20 30 FGEDHN C=CCN(C(=O)NCCc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368926512 499347234 /nfs/dbraw/zinc/34/72/34/499347234.db2.gz XQLJXTWPTNEZDW-NRFANRHFSA-N 0 3 364.493 3.096 20 30 FGEDHN C=CCS(=O)(=O)CCNC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000371625258 499348580 /nfs/dbraw/zinc/34/85/80/499348580.db2.gz UJAFWVVQGCDBLD-UHFFFAOYSA-N 0 3 364.555 3.143 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000369072236 499362625 /nfs/dbraw/zinc/36/26/25/499362625.db2.gz BZEGMASYLANRCW-IBGZPJMESA-N 0 3 373.497 3.201 20 30 FGEDHN CC(=O)NCc1ccc([C@H]2CCCN2CCCC2(C#N)CCOCC2)o1 ZINC000369207462 499377356 /nfs/dbraw/zinc/37/73/56/499377356.db2.gz YYWFMOXABUUNPV-GOSISDBHSA-N 0 3 359.470 3.153 20 30 FGEDHN C[C@@H](N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cccc(C#N)c1 ZINC000369222934 499379516 /nfs/dbraw/zinc/37/95/16/499379516.db2.gz AHQXLZRLMOUPGI-UZLBHIALSA-N 0 3 357.461 3.406 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000369305169 499389711 /nfs/dbraw/zinc/38/97/11/499389711.db2.gz JUGJLKDWSMFBHJ-KSSFIOAISA-N 0 3 371.400 3.168 20 30 FGEDHN CCCN1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000369330488 499392002 /nfs/dbraw/zinc/39/20/02/499392002.db2.gz DXOQRCSVOHZYFP-QGZVFWFLSA-N 0 3 374.554 3.295 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369531432 499413553 /nfs/dbraw/zinc/41/35/53/499413553.db2.gz NBFPOASAVSZFDY-PKOBYXMFSA-N 0 3 368.506 3.454 20 30 FGEDHN C=C[C@@H](CC(=O)N1CCC(CCN2CCN(C)CC2)CC1)c1ccccc1 ZINC000372291351 499417160 /nfs/dbraw/zinc/41/71/60/499417160.db2.gz JLUASDZILFLYRJ-NRFANRHFSA-N 0 3 369.553 3.222 20 30 FGEDHN Cn1ccnc1[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000373099645 499451345 /nfs/dbraw/zinc/45/13/45/499451345.db2.gz OBDKFRWOUDSVPA-HNNXBMFYSA-N 0 3 371.872 3.153 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000373432746 499469457 /nfs/dbraw/zinc/46/94/57/499469457.db2.gz RTQHJCQWXMHJGQ-IBGZPJMESA-N 0 3 367.412 3.014 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(CN3CCCC3=O)CC2)ccc1OC ZINC000378340457 499503710 /nfs/dbraw/zinc/50/37/10/499503710.db2.gz HSWWCCFESBAEMM-UHFFFAOYSA-N 0 3 372.509 3.485 20 30 FGEDHN Cc1nn(C(C)(C)C)c(C)c1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000378449202 499518418 /nfs/dbraw/zinc/51/84/18/499518418.db2.gz FNVDANRBYMYFNU-UHFFFAOYSA-N 0 3 366.513 3.280 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000375473122 499523646 /nfs/dbraw/zinc/52/36/46/499523646.db2.gz VLTSIOCZSPLGPR-AQCRLBJHSA-N 0 3 367.493 3.069 20 30 FGEDHN Cc1ccccc1C1(O)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000375668527 499543413 /nfs/dbraw/zinc/54/34/13/499543413.db2.gz HQHPFQJMDNNCKY-FQEVSTJZSA-N 0 3 373.456 3.059 20 30 FGEDHN Cn1cc(CN2CC[C@@H](Oc3ccncc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000375905176 499567214 /nfs/dbraw/zinc/56/72/14/499567214.db2.gz NKTBYGRYCVWRQA-HXUWFJFHSA-N 0 3 359.433 3.007 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(Cc3cccnc3)CC2)cc1 ZINC000375919812 499568709 /nfs/dbraw/zinc/56/87/09/499568709.db2.gz PIODXPVUIXMWKS-OAQYLSRUSA-N 0 3 358.445 3.117 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1ccc(C#N)cc1 ZINC000375975199 499572764 /nfs/dbraw/zinc/57/27/64/499572764.db2.gz LYSAKPABSDPBBW-AKHDSKFASA-N 0 3 371.481 3.112 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409969496 499632959 /nfs/dbraw/zinc/63/29/59/499632959.db2.gz FAVPIZBZZSNZCU-UHFFFAOYSA-N 0 3 359.433 3.100 20 30 FGEDHN N#CCc1cccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000376971060 499650758 /nfs/dbraw/zinc/65/07/58/499650758.db2.gz FGMANWSSWKIPLS-UHFFFAOYSA-N 0 3 365.399 3.288 20 30 FGEDHN N#CCCCn1cc(C(=O)N2CC[C@H](N3CCCC3)C2)c2ccccc21 ZINC000377053454 499657466 /nfs/dbraw/zinc/65/74/66/499657466.db2.gz SQZDDUDTAOLQKC-KRWDZBQOSA-N 0 3 350.466 3.255 20 30 FGEDHN C=C(CNC(=O)N(C)C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000377055694 499657649 /nfs/dbraw/zinc/65/76/49/499657649.db2.gz IFADHILTAQBBPT-UHFFFAOYSA-N 0 3 350.466 3.405 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000377651232 499715826 /nfs/dbraw/zinc/71/58/26/499715826.db2.gz JLDCQBGEYPFYBF-NRFANRHFSA-N 0 3 361.445 3.181 20 30 FGEDHN COC(=O)[C@@H](C)[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411393113 499733467 /nfs/dbraw/zinc/73/34/67/499733467.db2.gz QRGVJKAAOSBFGP-YWZLYKJASA-N 0 3 365.433 3.027 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)[C@@H](C)[C@H]3C)sc2C1 ZINC000411429913 499739423 /nfs/dbraw/zinc/73/94/23/499739423.db2.gz NIOLJTKHHKZQGE-QLFBSQMISA-N 0 3 374.554 3.098 20 30 FGEDHN CCOC(=O)c1ncn(C2CCN(CCC3(C#N)CCCCC3)CC2)c1N ZINC000411637277 499771553 /nfs/dbraw/zinc/77/15/53/499771553.db2.gz QGUJODSZXUAKKF-UHFFFAOYSA-N 0 3 373.501 3.143 20 30 FGEDHN COc1cc([C@@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCC3)ccn1 ZINC000411742257 499785063 /nfs/dbraw/zinc/78/50/63/499785063.db2.gz QPFOHQNJCBPDMG-GFCCVEGCSA-N 0 3 370.478 3.191 20 30 FGEDHN CO[C@](C)([C@@H](C)NCC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000411945770 499805517 /nfs/dbraw/zinc/80/55/17/499805517.db2.gz KUGPEGDIHLRODS-DYESRHJHSA-N 0 3 357.498 3.343 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000412030998 499814549 /nfs/dbraw/zinc/81/45/49/499814549.db2.gz AMYRKOSYMRRPCE-HUUJSLGLSA-N 0 3 369.509 3.031 20 30 FGEDHN CC(C)(C#N)c1ccc(NC(=O)NCCCNCc2cccnc2)cc1 ZINC000414838106 499836140 /nfs/dbraw/zinc/83/61/40/499836140.db2.gz YPMAGEWJCMPMSV-UHFFFAOYSA-N 0 3 351.454 3.184 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000412566441 499864191 /nfs/dbraw/zinc/86/41/91/499864191.db2.gz FEVNZSXBTNTRKZ-OAHLLOKOSA-N 0 3 367.449 3.249 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415805923 499919850 /nfs/dbraw/zinc/91/98/50/499919850.db2.gz OIQDNDWTUGWADY-NEPJUHHUSA-N 0 3 368.275 3.228 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000415823659 499920983 /nfs/dbraw/zinc/92/09/83/499920983.db2.gz QZGYHMGGILNBME-GOSISDBHSA-N 0 3 357.498 3.111 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)NCc3ccc(C#N)s3)c2)CC1 ZINC000421095883 499952446 /nfs/dbraw/zinc/95/24/46/499952446.db2.gz LCMIVICRKUDZAS-UHFFFAOYSA-N 0 3 369.494 3.083 20 30 FGEDHN N#C[C@H](CCc1ccccc1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425008291 499992290 /nfs/dbraw/zinc/99/22/90/499992290.db2.gz OVXZMKMFHLWKAY-RJGXRXQPSA-N 0 3 373.500 3.492 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1F ZINC000421354286 500024276 /nfs/dbraw/zinc/02/42/76/500024276.db2.gz HDCWTPUPFVXREJ-CQSZACIVSA-N 0 3 357.351 3.120 20 30 FGEDHN CC(C)(NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000429268556 500037868 /nfs/dbraw/zinc/03/78/68/500037868.db2.gz SNJGUAJNSRUNEN-UHFFFAOYSA-N 0 3 352.394 3.320 20 30 FGEDHN C=CCNC(=O)c1ccc(NC2CCN([C@@H](C)c3ccncc3)CC2)nc1 ZINC000425238115 500052108 /nfs/dbraw/zinc/05/21/08/500052108.db2.gz MIBKVBVMULILRX-INIZCTEOSA-N 0 3 365.481 3.030 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000413826148 500067904 /nfs/dbraw/zinc/06/79/04/500067904.db2.gz HLIRVUMHWPJGIN-AZUAARDMSA-N 0 3 371.525 3.069 20 30 FGEDHN C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)N1CCC(C)CC1 ZINC000416695128 500089833 /nfs/dbraw/zinc/08/98/33/500089833.db2.gz UDOKHQAVFOOZFV-JXFKEZNVSA-N 0 3 354.498 3.355 20 30 FGEDHN COC(=O)[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@H]1c1ccc(F)cc1F ZINC000425509495 500127395 /nfs/dbraw/zinc/12/73/95/500127395.db2.gz KWZVIQIOCPSOIK-RBUKOAKNSA-N 0 3 370.399 3.419 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3c2cccc3Br)CC1 ZINC000422157905 500222853 /nfs/dbraw/zinc/22/28/53/500222853.db2.gz GXEPCDNPRFZNEM-UHFFFAOYSA-N 0 3 364.287 3.172 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418137535 500235490 /nfs/dbraw/zinc/23/54/90/500235490.db2.gz RSUSKVYCCLCICN-UFYCRDLUSA-N 0 3 353.466 3.120 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000426195390 500245976 /nfs/dbraw/zinc/24/59/76/500245976.db2.gz SSYHKYNRFXQPNZ-FQEVSTJZSA-N 0 3 371.525 3.454 20 30 FGEDHN N#Cc1ccc(-c2nc(-c3ccc(OCCN4CCCC4)cc3)no2)o1 ZINC000426431807 500271785 /nfs/dbraw/zinc/27/17/85/500271785.db2.gz FOPUHAZSODOAJG-UHFFFAOYSA-N 0 3 350.378 3.343 20 30 FGEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419837805 500404335 /nfs/dbraw/zinc/40/43/35/500404335.db2.gz MRLDOQNVUCGZAY-GFCCVEGCSA-N 0 3 357.435 3.473 20 30 FGEDHN C=CCc1cc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc(OC)c1O ZINC000431663712 500405196 /nfs/dbraw/zinc/40/51/96/500405196.db2.gz IWVJQNWWMKWTSY-UWJYYQICSA-N 0 3 371.481 3.099 20 30 FGEDHN C=CCC[C@H]1NC(=O)N([C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000419923799 500407534 /nfs/dbraw/zinc/40/75/34/500407534.db2.gz BLGYPMMADRGMMC-JFRXWTBNSA-N 0 3 355.482 3.030 20 30 FGEDHN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424089909 500450944 /nfs/dbraw/zinc/45/09/44/500450944.db2.gz IPSGKEAMLSQUCJ-IIDMSEBBSA-N 0 3 370.497 3.073 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000424091237 500451286 /nfs/dbraw/zinc/45/12/86/500451286.db2.gz MCQYVOBJVLTQBZ-OAHLLOKOSA-N 0 3 364.287 3.356 20 30 FGEDHN Cc1cccnc1OC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000582362622 506196087 /nfs/dbraw/zinc/19/60/87/506196087.db2.gz OWRIXIVYUMYLCT-IBGZPJMESA-N 0 3 374.444 3.014 20 30 FGEDHN COc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)c2ccc(F)cc2)cc1 ZINC000424097701 500452410 /nfs/dbraw/zinc/45/24/10/500452410.db2.gz BHGLNJMSYUNOFE-RTBURBONSA-N 0 3 355.413 3.061 20 30 FGEDHN C=CCn1c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nnc1C(C)(C)C ZINC000424115098 500455884 /nfs/dbraw/zinc/45/58/84/500455884.db2.gz UBTXHDPKUIKWJQ-RBUKOAKNSA-N 0 3 365.525 3.472 20 30 FGEDHN Cc1cccc(Oc2cc(CNC(=O)[C@@H](N)CCCC#N)ccn2)c1C ZINC000424147196 500459883 /nfs/dbraw/zinc/45/98/83/500459883.db2.gz QSDKOSSIDGSMQP-KRWDZBQOSA-N 0 3 352.438 3.128 20 30 FGEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424146101 500460067 /nfs/dbraw/zinc/46/00/67/500460067.db2.gz OYSDPVVOOBJKDK-CRAIPNDOSA-N 0 3 353.470 3.302 20 30 FGEDHN C[C@H](CN(C)C(=O)[C@@H](N)CCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000424167748 500462805 /nfs/dbraw/zinc/46/28/05/500462805.db2.gz HOEORIASLHTEDF-ABAIWWIYSA-N 0 3 358.269 3.240 20 30 FGEDHN N#C[C@H]1CC[C@@H](NCc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000424194795 500466126 /nfs/dbraw/zinc/46/61/26/500466126.db2.gz MALOTELKXSDOCP-WCQYABFASA-N 0 3 351.244 3.392 20 30 FGEDHN C[C@H]1CN(CCC2CCN(Cc3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000428220552 500483414 /nfs/dbraw/zinc/48/34/14/500483414.db2.gz IEQAPGIUKVDBEJ-IRXDYDNUSA-N 0 3 359.489 3.409 20 30 FGEDHN C=CCC1(C(=O)N(C)c2ccc(OCCN3CCCC3)cc2)CCOCC1 ZINC000424730356 500551741 /nfs/dbraw/zinc/55/17/41/500551741.db2.gz CRDRFSUKSPHSHB-UHFFFAOYSA-N 0 3 372.509 3.497 20 30 FGEDHN CCOc1cccc([C@@H]2C[C@H]2NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000437207918 500614180 /nfs/dbraw/zinc/61/41/80/500614180.db2.gz QJERYHFPNVYQIW-HLAWJBBLSA-N 0 3 359.429 3.312 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000442733574 500617150 /nfs/dbraw/zinc/61/71/50/500617150.db2.gz BJYRODNJMOMDHB-UHFFFAOYSA-N 0 3 356.514 3.398 20 30 FGEDHN C[C@@H]1CCN(C(=O)CNc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000437481439 500649428 /nfs/dbraw/zinc/64/94/28/500649428.db2.gz MNVBNFZUWORTND-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN C=CCN1CC[C@@H](N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000433296648 500664728 /nfs/dbraw/zinc/66/47/28/500664728.db2.gz SVMNQRPJTNQWCF-DOTOQJQBSA-N 0 3 363.299 3.100 20 30 FGEDHN COc1ccc(-n2ccc(CNC(=O)C(C#N)CCc3ccccc3)n2)cc1 ZINC000433306283 500667730 /nfs/dbraw/zinc/66/77/30/500667730.db2.gz RYHALSGVKATLAM-GOSISDBHSA-N 0 3 374.444 3.270 20 30 FGEDHN N#Cc1ccccc1N1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433358776 500680189 /nfs/dbraw/zinc/68/01/89/500680189.db2.gz DRKZRJANAJJEHJ-OAQYLSRUSA-N 0 3 372.472 3.370 20 30 FGEDHN COCCN([C@@H]1CCC[C@@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877571 500683528 /nfs/dbraw/zinc/68/35/28/500683528.db2.gz FIMQJJRCXJDWHH-PWIZWCRZSA-N 0 3 355.482 3.191 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000433372227 500683818 /nfs/dbraw/zinc/68/38/18/500683818.db2.gz OEPSYZOSIUHGHO-DLBZAZTESA-N 0 3 369.415 3.432 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000433390366 500686394 /nfs/dbraw/zinc/68/63/94/500686394.db2.gz ZUPWCDRONKSCIN-QUCCMNQESA-N 0 3 350.418 3.065 20 30 FGEDHN C[C@@H]1OCC[C@@]1(O)CN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000447927063 500691372 /nfs/dbraw/zinc/69/13/72/500691372.db2.gz ODLYHKJADIXQJL-PGRDOPGGSA-N 0 3 353.437 3.219 20 30 FGEDHN C[C@@H](Cc1ccccc1F)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000437805704 500699294 /nfs/dbraw/zinc/69/92/94/500699294.db2.gz VFVHDJZARBGASV-YWZLYKJASA-N 0 3 351.425 3.414 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(CC)c2)cc1OC ZINC000433929205 500766431 /nfs/dbraw/zinc/76/64/31/500766431.db2.gz DYUUTZCEHHZFNQ-GHTZIAJQSA-N 0 3 371.481 3.486 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1Br)N1CCCC[C@H]1C ZINC000448696331 500806384 /nfs/dbraw/zinc/80/63/84/500806384.db2.gz GUKXKPFZFCIPJT-OLZOCXBDSA-N 0 3 364.287 3.313 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1Br)N1CCC[C@@H](C)C1 ZINC000448704719 500808918 /nfs/dbraw/zinc/80/89/18/500808918.db2.gz OEJGGUSMWQNVBB-OLZOCXBDSA-N 0 3 364.287 3.171 20 30 FGEDHN CCN(C(=O)c1cc(C#N)[nH]c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000448766619 500827963 /nfs/dbraw/zinc/82/79/63/500827963.db2.gz COCUBBQGKJZPQE-APWZRJJASA-N 0 3 350.466 3.492 20 30 FGEDHN COc1cc2[nH]c(CCCNCc3cccc(C#N)n3)cc2c(OC)c1 ZINC000602568728 506219826 /nfs/dbraw/zinc/21/98/26/506219826.db2.gz LOIVREJVAZXHHD-UHFFFAOYSA-N 0 3 350.422 3.174 20 30 FGEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000439172596 500866803 /nfs/dbraw/zinc/86/68/03/500866803.db2.gz VLLOQGAJWUSMFQ-ZDUSSCGKSA-N 0 3 361.902 3.330 20 30 FGEDHN CCOc1ccc([C@H](C)NC(=O)CCCNCc2cccc(C#N)n2)cc1 ZINC000602576330 506222130 /nfs/dbraw/zinc/22/21/30/506222130.db2.gz LVBHPGVTMUNMEM-INIZCTEOSA-N 0 3 366.465 3.099 20 30 FGEDHN C=C[C@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435511770 500987264 /nfs/dbraw/zinc/98/72/64/500987264.db2.gz QMEGAIQNRWRUFH-MAUKXSAKSA-N 0 3 353.470 3.335 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000435739284 501021283 /nfs/dbraw/zinc/02/12/83/501021283.db2.gz GDDHATVEMGCLRK-SJCJKPOMSA-N 0 3 350.825 3.131 20 30 FGEDHN COc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1OCCCC#N ZINC000449556327 501033194 /nfs/dbraw/zinc/03/31/94/501033194.db2.gz SCFJUDOGCIWGKI-GUDVDZBRSA-N 0 3 358.482 3.361 20 30 FGEDHN COc1cc(CNCCOc2cccc(C(F)(F)F)n2)ccc1C#N ZINC000440651574 501034569 /nfs/dbraw/zinc/03/45/69/501034569.db2.gz WWIDVHRZBCZUFI-UHFFFAOYSA-N 0 3 351.328 3.149 20 30 FGEDHN COc1cc(CNc2cccc(CN3CCC(O)CC3)c2)ccc1C#N ZINC000440803007 501050232 /nfs/dbraw/zinc/05/02/32/501050232.db2.gz BINUPYUCIAKGRE-UHFFFAOYSA-N 0 3 351.450 3.136 20 30 FGEDHN CN1CCC[C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000450350727 501097912 /nfs/dbraw/zinc/09/79/12/501097912.db2.gz RWFWYUCRUTWOGT-CZUORRHYSA-N 0 3 357.439 3.418 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@H](CCCc2ccccc2)C1 ZINC000441187090 501100777 /nfs/dbraw/zinc/10/07/77/501100777.db2.gz YLXNXRVSKZCMTQ-NRFANRHFSA-N 0 3 366.509 3.377 20 30 FGEDHN N#Cc1cc(F)c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c(F)c1 ZINC000446415484 501118513 /nfs/dbraw/zinc/11/85/13/501118513.db2.gz DPEDRSMWUZLPKK-UHFFFAOYSA-N 0 3 371.387 3.045 20 30 FGEDHN Cc1cc(NC(=O)NCc2cccc(CN(C)C)c2)c(C#N)cc1N(C)C ZINC000436494429 501138657 /nfs/dbraw/zinc/13/86/57/501138657.db2.gz FWSKHWXJAJLEOV-UHFFFAOYSA-N 0 3 365.481 3.316 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000450022085 501157326 /nfs/dbraw/zinc/15/73/26/501157326.db2.gz JTJZCEAHNYEGOK-QFIPXVFZSA-N 0 3 362.477 3.323 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1noc(C)n1 ZINC000450743754 501199083 /nfs/dbraw/zinc/19/90/83/501199083.db2.gz JANHKTQAGZORJM-ZDUSSCGKSA-N 0 3 362.503 3.037 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H]2CCc3c2cccc3O)c(OC)c1 ZINC000451176125 501250162 /nfs/dbraw/zinc/25/01/62/501250162.db2.gz OOBXRXANHQYXSM-LPHOPBHVSA-N 0 3 369.461 3.146 20 30 FGEDHN CCC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C ZINC000451430101 501292064 /nfs/dbraw/zinc/29/20/64/501292064.db2.gz CUCDVDKFXVEQGM-QGZVFWFLSA-N 0 3 353.470 3.487 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000451476402 501301005 /nfs/dbraw/zinc/30/10/05/501301005.db2.gz FPGAXKCZNYITRL-AFAVFJNCSA-N 0 3 361.873 3.476 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](COC)CC1)C(C)C ZINC000457760596 501303666 /nfs/dbraw/zinc/30/36/66/501303666.db2.gz XBHRTNMEYYJEJE-RBUKOAKNSA-N 0 3 351.535 3.143 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCCN(C(C)C)CC1 ZINC000453428159 501329860 /nfs/dbraw/zinc/32/98/60/501329860.db2.gz ZPEWIYJQVKNZFP-IBGZPJMESA-N 0 3 367.497 3.061 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000451594703 501333212 /nfs/dbraw/zinc/33/32/12/501333212.db2.gz BPYQXACPPUFDHN-WVATUKLVSA-N 0 3 357.281 3.492 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)N2CCc3c(CC#N)cccc3C2)c1 ZINC000598961336 506246876 /nfs/dbraw/zinc/24/68/76/506246876.db2.gz RJZYEKYPDHFSSD-UHFFFAOYSA-N 0 3 362.477 3.082 20 30 FGEDHN N#CC(C(=O)c1ccnn1CC(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000453569859 501350079 /nfs/dbraw/zinc/35/00/79/501350079.db2.gz JYIKKOQVQZVYCD-VIFPVBQESA-N 0 3 362.233 3.349 20 30 FGEDHN CC(C)(CC#N)CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000457984607 501350479 /nfs/dbraw/zinc/35/04/79/501350479.db2.gz DGNUJNICWKAIJG-SFHVURJKSA-N 0 3 367.415 3.497 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2COCC2(C)C)c1C#N ZINC000451805071 501375516 /nfs/dbraw/zinc/37/55/16/501375516.db2.gz ATSDQBZLWCADHC-GOSISDBHSA-N 0 3 372.513 3.435 20 30 FGEDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000451836062 501382904 /nfs/dbraw/zinc/38/29/04/501382904.db2.gz GPSLWLFVTGUFSZ-DLBZAZTESA-N 0 3 374.554 3.293 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455793129 501387447 /nfs/dbraw/zinc/38/74/47/501387447.db2.gz RPMWHFZEUYCGMN-ACJLOTCBSA-N 0 3 369.856 3.249 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000452061205 501426996 /nfs/dbraw/zinc/42/69/96/501426996.db2.gz OUCDOUQDUFBGIC-IBGZPJMESA-N 0 3 369.490 3.442 20 30 FGEDHN CN(C)C(=O)C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000456235334 501478476 /nfs/dbraw/zinc/47/84/76/501478476.db2.gz ROTYKUQBHALUIQ-PMACEKPBSA-N 0 3 363.461 3.095 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC1(F)F ZINC000459009607 501576524 /nfs/dbraw/zinc/57/65/24/501576524.db2.gz AWGCHHYFYRIYOV-QGZVFWFLSA-N 0 3 364.440 3.067 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000454902911 501652205 /nfs/dbraw/zinc/65/22/05/501652205.db2.gz OMWSTSTWZXDAOF-WOJBJXKFSA-N 0 3 371.525 3.322 20 30 FGEDHN CC(C)(C#N)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457122153 501654577 /nfs/dbraw/zinc/65/45/77/501654577.db2.gz VMPXOVDARZYZIT-UHFFFAOYSA-N 0 3 374.916 3.003 20 30 FGEDHN Cc1nsc(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)c1C#N ZINC000459563596 501677523 /nfs/dbraw/zinc/67/75/23/501677523.db2.gz PXFGWWDNXARSIX-UHFFFAOYSA-N 0 3 357.483 3.355 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1C#N ZINC000459570207 501678562 /nfs/dbraw/zinc/67/85/62/501678562.db2.gz NRVFXUIXJNGXAZ-AWEZNQCLSA-N 0 3 363.874 3.401 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000459597895 501684452 /nfs/dbraw/zinc/68/44/52/501684452.db2.gz YFAKXRKJOXXUPL-CXAGYDPISA-N 0 3 369.494 3.355 20 30 FGEDHN COc1cc(CNC[C@H]2CN(c3ccc(Cl)cc3)CCO2)ccc1C#N ZINC000598994818 506268175 /nfs/dbraw/zinc/26/81/75/506268175.db2.gz SSYRIACXGFMHEI-IBGZPJMESA-N 0 3 371.868 3.215 20 30 FGEDHN C[C@@H](CN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459758825 501710288 /nfs/dbraw/zinc/71/02/88/501710288.db2.gz IONCONXHALSSOJ-HNNXBMFYSA-N 0 3 368.481 3.368 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)Nc1ncccc1OCCCC#N ZINC000481286348 501732882 /nfs/dbraw/zinc/73/28/82/501732882.db2.gz OZUTVJWKEBTSSK-UHFFFAOYSA-N 0 3 373.501 3.494 20 30 FGEDHN C[C@@H]1CCC[C@H](C)N1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000467215467 501740538 /nfs/dbraw/zinc/74/05/38/501740538.db2.gz SYQWXDIFMMGGMB-GASCZTMLSA-N 0 3 352.400 3.436 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnn1C1CCCC1 ZINC000481464544 501783331 /nfs/dbraw/zinc/78/33/31/501783331.db2.gz IKCPBRXLQGXWLD-UHFFFAOYSA-N 0 3 365.481 3.074 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460373953 501808183 /nfs/dbraw/zinc/80/81/83/501808183.db2.gz GLNOXQGRZRZVKB-IRXDYDNUSA-N 0 3 369.513 3.449 20 30 FGEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)c2cccc(Br)c2)C1=O ZINC000467512883 501813070 /nfs/dbraw/zinc/81/30/70/501813070.db2.gz JUVVLNFHUALSAL-XJKSGUPXSA-N 0 3 351.288 3.271 20 30 FGEDHN CS(=O)(=O)Nc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481674527 501846286 /nfs/dbraw/zinc/84/62/86/501846286.db2.gz WJIOKVBDBYXEGB-FQEVSTJZSA-N 0 3 369.490 3.487 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000470972881 501877734 /nfs/dbraw/zinc/87/77/34/501877734.db2.gz BBTBRHCJJOGNLT-WMLDXEAASA-N 0 3 367.836 3.478 20 30 FGEDHN COc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccccc2n1 ZINC000470992730 501884849 /nfs/dbraw/zinc/88/48/49/501884849.db2.gz MPUFCBKECLJAMN-KRWDZBQOSA-N 0 3 370.412 3.114 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474601553 501890160 /nfs/dbraw/zinc/89/01/60/501890160.db2.gz AEIOHNGHJRFTTG-SFHVURJKSA-N 0 3 364.449 3.305 20 30 FGEDHN C=C(C)COCCNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000474803692 501958249 /nfs/dbraw/zinc/95/82/49/501958249.db2.gz GCBXCWDOCBRHIC-FQEVSTJZSA-N 0 3 359.514 3.133 20 30 FGEDHN CC(C)c1ccc(C[C@@H]2CCN(CC(=O)N(CCC#N)CCC#N)C2)cc1 ZINC000460979353 501979157 /nfs/dbraw/zinc/97/91/57/501979157.db2.gz BKLFHZOHUYIJCX-FQEVSTJZSA-N 0 3 366.509 3.330 20 30 FGEDHN CCOC(=O)[C@](C)(O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000475132422 502072814 /nfs/dbraw/zinc/07/28/14/502072814.db2.gz VHRUCUDHXZUHIB-QVKFZJNVSA-N 0 3 352.434 3.190 20 30 FGEDHN CN(C)Cc1ccccc1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468507454 502085238 /nfs/dbraw/zinc/08/52/38/502085238.db2.gz XTNHLZRZRNWPAH-UHFFFAOYSA-N 0 3 360.417 3.205 20 30 FGEDHN CC(C#N)C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000468603875 502120860 /nfs/dbraw/zinc/12/08/60/502120860.db2.gz VUMHXIGKRUZPIP-CYBMUJFWSA-N 0 3 357.360 3.092 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468811410 502191275 /nfs/dbraw/zinc/19/12/75/502191275.db2.gz CICKMIBVYLTHQL-QGZVFWFLSA-N 0 3 352.438 3.208 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc(-c3ccncc3)cs2)cc1 ZINC000472020630 502201736 /nfs/dbraw/zinc/20/17/36/502201736.db2.gz FYGCSGBROJTULV-QGZVFWFLSA-N 0 3 373.441 3.075 20 30 FGEDHN Cc1cccc(CC2(O)CCN(CCOc3ccc(C#N)cc3)CC2)c1 ZINC000482929930 502219594 /nfs/dbraw/zinc/21/95/94/502219594.db2.gz PRSCLOBEFHJCMX-UHFFFAOYSA-N 0 3 350.462 3.315 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000465403025 502251715 /nfs/dbraw/zinc/25/17/15/502251715.db2.gz GHWSJPFVYBLPOR-UQASEVPWSA-N 0 3 373.497 3.124 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@]2(CO)CC(C)C)c1 ZINC000475716291 502261972 /nfs/dbraw/zinc/26/19/72/502261972.db2.gz PQOJMSGXSZHUSE-JOCHJYFZSA-N 0 3 371.525 3.423 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)C(C)C ZINC000465549375 502302473 /nfs/dbraw/zinc/30/24/73/502302473.db2.gz VUDWBVWLETVUCA-IBGZPJMESA-N 0 3 358.461 3.195 20 30 FGEDHN CCn1nc(C(=O)C(C#N)c2nccc3ccccc32)c(=O)c2ccccc21 ZINC000483202022 502312513 /nfs/dbraw/zinc/31/25/13/502312513.db2.gz PDSGBMNTSVVCNU-KRWDZBQOSA-N 0 3 368.396 3.455 20 30 FGEDHN N#CC(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nccc2ccccc21 ZINC000483219787 502317611 /nfs/dbraw/zinc/31/76/11/502317611.db2.gz MAHKWEUFFIVGEV-SJLPKXTDSA-N 0 3 359.385 3.288 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCCCCC#N ZINC000476029511 502363034 /nfs/dbraw/zinc/36/30/34/502363034.db2.gz FUZANZIMQZAHIR-LJQANCHMSA-N 0 3 356.514 3.452 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(F)ccc1-n1cccn1 ZINC000483434451 502391611 /nfs/dbraw/zinc/39/16/11/502391611.db2.gz DEXFWMNECPSSKL-OAHLLOKOSA-N 0 3 359.364 3.388 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CC=CCC2)cc1 ZINC000483532746 502423238 /nfs/dbraw/zinc/42/32/38/502423238.db2.gz OOKSBVKFNQMIGP-LSDHHAIUSA-N 0 3 361.467 3.192 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000483559408 502431457 /nfs/dbraw/zinc/43/14/57/502431457.db2.gz HOYJIZUMRYJGPT-AAEUAGOBSA-N 0 3 371.409 3.072 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000466017210 502454793 /nfs/dbraw/zinc/45/47/93/502454793.db2.gz NRTIHSQLPMPLMJ-UHFFFAOYSA-N 0 3 363.505 3.483 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)N2CCCC2)cc1 ZINC000596216145 506314812 /nfs/dbraw/zinc/31/48/12/506314812.db2.gz KFLYMGYFZIEKPY-ICSRJNTNSA-N 0 3 354.498 3.467 20 30 FGEDHN N#Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)ccc1F ZINC000469621765 502484416 /nfs/dbraw/zinc/48/44/16/502484416.db2.gz NAXMRHSTCGKMPM-AWEZNQCLSA-N 0 3 357.454 3.401 20 30 FGEDHN CCCCN(C)CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487874402 502553446 /nfs/dbraw/zinc/55/34/46/502553446.db2.gz GOKJLGVUCAFJBP-UHFFFAOYSA-N 0 3 353.264 3.174 20 30 FGEDHN CS[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000476665542 502555527 /nfs/dbraw/zinc/55/55/27/502555527.db2.gz UEKBXYKFWBFJPL-CEXWTWQISA-N 0 3 357.523 3.112 20 30 FGEDHN CC(C)[C@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCN1C ZINC000487963782 502582967 /nfs/dbraw/zinc/58/29/67/502582967.db2.gz NDMLGSCUAMCZQY-FUHWJXTLSA-N 0 3 374.554 3.291 20 30 FGEDHN Cc1nc2ccccc2n1CCCCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848189 506325868 /nfs/dbraw/zinc/32/58/68/506325868.db2.gz FICIEJQRPKIIIO-HDICACEKSA-N 0 3 353.514 3.433 20 30 FGEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000477070265 502669111 /nfs/dbraw/zinc/66/91/11/502669111.db2.gz DSQOBIIXYPTGCA-HAWMADMCSA-N 0 3 369.490 3.317 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484632413 502689923 /nfs/dbraw/zinc/68/99/23/502689923.db2.gz AISPPXXAKSBSIU-IMFGXOCKSA-N 0 3 357.498 3.283 20 30 FGEDHN COc1ccc(C[C@H](C)CN2CCN(c3cccc(C#N)n3)CC2)cc1F ZINC000470338252 502740521 /nfs/dbraw/zinc/74/05/21/502740521.db2.gz RHYWYYCARATXSG-INIZCTEOSA-N 0 3 368.456 3.102 20 30 FGEDHN C=CCNc1ncc(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)s1 ZINC000473925156 502752138 /nfs/dbraw/zinc/75/21/38/502752138.db2.gz SDBXZTKICRIOTE-CQSZACIVSA-N 0 3 358.511 3.022 20 30 FGEDHN C=CCn1cccc1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000488809365 502812316 /nfs/dbraw/zinc/81/23/16/502812316.db2.gz NCZSVHJLGHXQTE-UHFFFAOYSA-N 0 3 352.482 3.448 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000488844564 502824299 /nfs/dbraw/zinc/82/42/99/502824299.db2.gz XDVUZXISVYFJJO-RXVVDRJESA-N 0 3 356.510 3.448 20 30 FGEDHN CN(C)C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000488913561 502836601 /nfs/dbraw/zinc/83/66/01/502836601.db2.gz PGBSFRCKODAHAD-QUCCMNQESA-N 0 3 353.441 3.317 20 30 FGEDHN Cc1cc(C)c(C#N)c(NCCCN2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000513106799 502853006 /nfs/dbraw/zinc/85/30/06/502853006.db2.gz AGAGVUDWBFVRSS-NRFANRHFSA-N 0 3 363.509 3.361 20 30 FGEDHN Cc1cc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000489004363 502857909 /nfs/dbraw/zinc/85/79/09/502857909.db2.gz CCUXOJAPKWLALE-AZUAARDMSA-N 0 3 355.388 3.207 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000509340524 502877679 /nfs/dbraw/zinc/87/76/79/502877679.db2.gz DFAUCXNOGSEBAG-UHFFFAOYSA-N 0 3 365.452 3.141 20 30 FGEDHN C[N@H+](CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000505300364 502884950 /nfs/dbraw/zinc/88/49/50/502884950.db2.gz SUDPXJIPRLHOAH-UHFFFAOYSA-N 0 3 369.918 3.145 20 30 FGEDHN C[N@@H+](CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000505300364 502884954 /nfs/dbraw/zinc/88/49/54/502884954.db2.gz SUDPXJIPRLHOAH-UHFFFAOYSA-N 0 3 369.918 3.145 20 30 FGEDHN CN(C)C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccc(Cl)cc1 ZINC000513574622 502969280 /nfs/dbraw/zinc/96/92/80/502969280.db2.gz YDLVRHNAIIZJCI-LJQANCHMSA-N 0 3 370.884 3.310 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509715806 502974199 /nfs/dbraw/zinc/97/41/99/502974199.db2.gz PEJDKHXNMXODBS-YJBOKZPZSA-N 0 3 367.415 3.449 20 30 FGEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000489758552 503027309 /nfs/dbraw/zinc/02/73/09/503027309.db2.gz NTDCHVLIXDZQFJ-CUDHKJQZSA-N 0 3 354.498 3.403 20 30 FGEDHN N#Cc1ccc(C2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)nc1 ZINC000602910067 506348138 /nfs/dbraw/zinc/34/81/38/506348138.db2.gz DAXJCPIVXMOKOS-SFHVURJKSA-N 0 3 371.868 3.226 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000489969013 503077908 /nfs/dbraw/zinc/07/79/08/503077908.db2.gz CHVVUIXCVKBYBT-VQTJNVASSA-N 0 3 357.498 3.074 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)COc1ccccc1C#N)N(C)C ZINC000510510921 503129822 /nfs/dbraw/zinc/12/98/22/503129822.db2.gz JRFFKEWQZIPHMQ-HRAATJIYSA-N 0 3 351.450 3.053 20 30 FGEDHN C=CCCc1ccccc1NC(=O)NCc1ccncc1OCCN(C)C ZINC000514690516 503168212 /nfs/dbraw/zinc/16/82/12/503168212.db2.gz PCMNBUBGUGNUNV-UHFFFAOYSA-N 0 3 368.481 3.462 20 30 FGEDHN N#Cc1ccc(NCCCN2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000506809569 503177416 /nfs/dbraw/zinc/17/74/16/503177416.db2.gz USIUBCHFKWCKET-UHFFFAOYSA-N 0 3 352.457 3.317 20 30 FGEDHN Cc1onc(CC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)c1C#N ZINC000490489615 503182759 /nfs/dbraw/zinc/18/27/59/503182759.db2.gz ZINTZSRPYQQDGP-HXUWFJFHSA-N 0 3 368.481 3.015 20 30 FGEDHN C=CCN(CCc1ccco1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000491285427 503293784 /nfs/dbraw/zinc/29/37/84/503293784.db2.gz SWSOTPNXHVDTBK-SFHVURJKSA-N 0 3 353.466 3.338 20 30 FGEDHN COc1ccc(C[C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000507451421 503301096 /nfs/dbraw/zinc/30/10/96/503301096.db2.gz TXSZGCAEODLSDV-HRAATJIYSA-N 0 3 363.461 3.283 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000491549086 503318487 /nfs/dbraw/zinc/31/84/87/503318487.db2.gz GBUNSSQOLSKHOX-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN COc1cccc(C[C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000515496037 503350626 /nfs/dbraw/zinc/35/06/26/503350626.db2.gz NWTXXAKVTHVJQN-PMACEKPBSA-N 0 3 366.461 3.014 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000499314953 503377955 /nfs/dbraw/zinc/37/79/55/503377955.db2.gz WBZIPCGEZCEXAF-AEFFLSMTSA-N 0 3 359.518 3.177 20 30 FGEDHN Cc1ccccc1OC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507845955 503379323 /nfs/dbraw/zinc/37/93/23/503379323.db2.gz BFSNXOJPOONJNU-LJQANCHMSA-N 0 3 366.461 3.150 20 30 FGEDHN Cc1ccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000515931766 503422409 /nfs/dbraw/zinc/42/24/09/503422409.db2.gz WQGVVQIJOZCTDM-UHFFFAOYSA-N 0 3 355.507 3.451 20 30 FGEDHN C=CCN1CC[C@H](N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)C1=O ZINC000499521814 503423757 /nfs/dbraw/zinc/42/37/57/503423757.db2.gz IEIBIYJWOOHQLR-KRWDZBQOSA-N 0 3 356.466 3.337 20 30 FGEDHN Cc1oc(NC(=O)CN[C@@H]2CCC[C@H]2OCc2ccccc2)c(C#N)c1C ZINC000503517624 503425996 /nfs/dbraw/zinc/42/59/96/503425996.db2.gz RYDIPFHWSXCPTM-RTBURBONSA-N 0 3 367.449 3.434 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)cc1 ZINC000516148418 503455756 /nfs/dbraw/zinc/45/57/56/503455756.db2.gz ZTVZLLJXBCSAQY-KURKYZTESA-N 0 3 352.438 3.124 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCc1cccc(C#N)c1)N(C)C ZINC000503900382 503485382 /nfs/dbraw/zinc/48/53/82/503485382.db2.gz HBDALPMSKDZBCF-UWJYYQICSA-N 0 3 364.493 3.400 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccncc2OCCC(C)(C)C)CC1 ZINC000494104172 503487743 /nfs/dbraw/zinc/48/77/43/503487743.db2.gz BMZXJRNMDUXXAO-UHFFFAOYSA-N 0 3 374.529 3.346 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000508453833 503497377 /nfs/dbraw/zinc/49/73/77/503497377.db2.gz WEWSLCISAWHHRE-HXUWFJFHSA-N 0 3 371.456 3.493 20 30 FGEDHN C=CCn1c(COCC)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000508473568 503501155 /nfs/dbraw/zinc/50/11/55/503501155.db2.gz PNVSKRWGKLYYGQ-UHFFFAOYSA-N 0 3 369.513 3.101 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(CC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494236444 503509294 /nfs/dbraw/zinc/50/92/94/503509294.db2.gz DDEZKDYXOYJVLL-AZUAARDMSA-N 0 3 355.388 3.092 20 30 FGEDHN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000516650793 503560182 /nfs/dbraw/zinc/56/01/82/503560182.db2.gz ULYCZWGKWHWDMB-RBSFLKMASA-N 0 3 371.451 3.126 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000516764890 503582751 /nfs/dbraw/zinc/58/27/51/503582751.db2.gz PYZAEGMGUGHODA-UHFFFAOYSA-N 0 3 366.465 3.152 20 30 FGEDHN C[C@]1(c2ccccc2)CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000500229943 503583020 /nfs/dbraw/zinc/58/30/20/503583020.db2.gz NDQPZWRRZKKMSA-UNMCSNQZSA-N 0 3 350.462 3.352 20 30 FGEDHN C=CCn1c(COCC)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000508875648 503585105 /nfs/dbraw/zinc/58/51/05/503585105.db2.gz VGDQZQTZXWKPKE-LJQANCHMSA-N 0 3 369.513 3.101 20 30 FGEDHN C=CCn1c(-c2cccn2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508922577 503601390 /nfs/dbraw/zinc/60/13/90/503601390.db2.gz RCDAJOCYXVEFJR-UHFFFAOYSA-N 0 3 356.518 3.028 20 30 FGEDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(C#N)cc3F)cn2)CC1 ZINC000512659460 503605546 /nfs/dbraw/zinc/60/55/46/503605546.db2.gz HCDAUZPNFWKUTM-MRXNPFEDSA-N 0 3 367.472 3.085 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)CC1 ZINC000494809341 503614449 /nfs/dbraw/zinc/61/44/49/503614449.db2.gz GEOUMPRXTSAOML-UHFFFAOYSA-N 0 3 372.900 3.470 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000517025706 503646518 /nfs/dbraw/zinc/64/65/18/503646518.db2.gz FZVXVOOBGHVLPV-IDHHARJASA-N 0 3 374.843 3.431 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CCC(OCCO)CC3)c2)c1 ZINC000536667381 503669883 /nfs/dbraw/zinc/66/98/83/503669883.db2.gz BDKZIJYXVQMBMA-UHFFFAOYSA-N 0 3 366.461 3.111 20 30 FGEDHN COCCN(C)CC[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000532986858 503688024 /nfs/dbraw/zinc/68/80/24/503688024.db2.gz DVIAOOPTXWRZIJ-OAQYLSRUSA-N 0 3 355.457 3.497 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540246961 503723033 /nfs/dbraw/zinc/72/30/33/503723033.db2.gz ICVITNDZXURXLN-CEXWTWQISA-N 0 3 371.525 3.209 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C)(COC)CC1)C(C)C ZINC000540271332 503728143 /nfs/dbraw/zinc/72/81/43/503728143.db2.gz SXSUMKDCBPQGHS-SFHVURJKSA-N 0 3 351.535 3.143 20 30 FGEDHN N#CCCCN[C@H]1CCCOc2ccc(I)cc21 ZINC000543428371 503766771 /nfs/dbraw/zinc/76/67/71/503766771.db2.gz AHFFQPKLOKTDSL-ZDUSSCGKSA-N 0 3 356.207 3.398 20 30 FGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H](c2ccccc2)C(C)C)CC1 ZINC000537047440 503789177 /nfs/dbraw/zinc/78/91/77/503789177.db2.gz MDFZMWPZDAEIJV-IRLDBZIGSA-N 0 3 370.541 3.008 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC(=O)NCC=C)c1ccc(C(F)(F)F)cc1 ZINC000537127956 503812117 /nfs/dbraw/zinc/81/21/17/503812117.db2.gz NOINPYXAMUWQJI-OAHLLOKOSA-N 0 3 369.387 3.314 20 30 FGEDHN C=CCOc1cccnc1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000537134071 503813162 /nfs/dbraw/zinc/81/31/62/503813162.db2.gz NFMPIGMXCYDYGI-UHFFFAOYSA-N 0 3 357.498 3.375 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cn(C)nc2-c2ccccc2)CC1 ZINC000537145460 503818403 /nfs/dbraw/zinc/81/84/03/503818403.db2.gz FDXZVUMTWXLBOF-UHFFFAOYSA-N 0 3 353.470 3.249 20 30 FGEDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000540607117 503832252 /nfs/dbraw/zinc/83/22/52/503832252.db2.gz OIPNCSPCOXIKGI-GCKAQTDUSA-N 0 3 355.388 3.459 20 30 FGEDHN C=CCNC(=O)CN1CCN(C[C@H](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000537206820 503842445 /nfs/dbraw/zinc/84/24/45/503842445.db2.gz XGKRYRJCYRHLSQ-LJQANCHMSA-N 0 3 371.569 3.083 20 30 FGEDHN C[C@@H](NCCC(=O)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543871276 503922867 /nfs/dbraw/zinc/92/28/67/503922867.db2.gz ZZBPJCJQCCOPMF-QGZVFWFLSA-N 0 3 363.461 3.125 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000533852694 503971221 /nfs/dbraw/zinc/97/12/21/503971221.db2.gz LQTJQPCUFIQPME-UHFFFAOYSA-N 0 3 358.873 3.296 20 30 FGEDHN N#Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000530847738 504106806 /nfs/dbraw/zinc/10/68/06/504106806.db2.gz IXYBBAJWYJMPLW-JOCHJYFZSA-N 0 3 360.461 3.082 20 30 FGEDHN C[C@H]1CCN(c2cc(C(=O)C(C#N)c3nc4ccccc4n3C)ccn2)C1 ZINC000547484452 504122517 /nfs/dbraw/zinc/12/25/17/504122517.db2.gz UTUASGXFKFIUGK-HOCLYGCPSA-N 0 3 359.433 3.305 20 30 FGEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000519064847 504131363 /nfs/dbraw/zinc/13/13/63/504131363.db2.gz UTKBZCDPXGKDOQ-UHFFFAOYSA-N 0 3 371.506 3.091 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)[C@@H]2CCCOC2)c1C#N ZINC000544471375 504146257 /nfs/dbraw/zinc/14/62/57/504146257.db2.gz ZYMDQMUCMJYYLV-DOTOQJQBSA-N 0 3 372.513 3.435 20 30 FGEDHN COc1cccc(C2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)c1 ZINC000528368309 504189705 /nfs/dbraw/zinc/18/97/05/504189705.db2.gz VBFXYLUKCATRGA-HXUWFJFHSA-N 0 3 366.461 3.186 20 30 FGEDHN N#Cc1csc(CNC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000531117844 504194028 /nfs/dbraw/zinc/19/40/28/504194028.db2.gz PTBGJQALOHXHMX-CQSZACIVSA-N 0 3 370.396 3.459 20 30 FGEDHN CC1(C)CN(C2(CNC(=O)Cc3cccc(C#N)c3)CCCCC2)CCO1 ZINC000531152052 504208011 /nfs/dbraw/zinc/20/80/11/504208011.db2.gz PRJGWUPCLSTRHI-UHFFFAOYSA-N 0 3 369.509 3.031 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000547838446 504243571 /nfs/dbraw/zinc/24/35/71/504243571.db2.gz PMSDXECRASQWRF-JOCHJYFZSA-N 0 3 361.445 3.408 20 30 FGEDHN CN(C)C1(CNC(=O)c2ccc(C#N)c(Cl)c2)Cc2ccccc2C1 ZINC000547962430 504275487 /nfs/dbraw/zinc/27/54/87/504275487.db2.gz PFRLHBFNZIWOAV-UHFFFAOYSA-N 0 3 353.853 3.041 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000528616398 504297342 /nfs/dbraw/zinc/29/73/42/504297342.db2.gz LQQRDLCRQFEQOU-UTKZUKDTSA-N 0 3 362.477 3.007 20 30 FGEDHN COCCc1noc(CC2CCN(CCC3(C#N)CCCCC3)CC2)n1 ZINC000528618756 504298203 /nfs/dbraw/zinc/29/82/03/504298203.db2.gz LWVYADWGLJDXFW-UHFFFAOYSA-N 0 3 360.502 3.377 20 30 FGEDHN N#Cc1cccc(CN2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 ZINC000528717248 504347587 /nfs/dbraw/zinc/34/75/87/504347587.db2.gz UZKGLDXHJRAQMQ-UHFFFAOYSA-N 0 3 366.465 3.290 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCn2c3ccccc3nc2C2CC2)CC1 ZINC000538743761 504354205 /nfs/dbraw/zinc/35/42/05/504354205.db2.gz IMHLQTJTQNKXMV-UHFFFAOYSA-N 0 3 366.509 3.461 20 30 FGEDHN C=C(C)[C@H](CC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)OCC ZINC000535150965 504356304 /nfs/dbraw/zinc/35/63/04/504356304.db2.gz JRXRLLYMYMVODG-GGPKGHCWSA-N 0 3 366.546 3.096 20 30 FGEDHN N#CCc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000542208615 504407372 /nfs/dbraw/zinc/40/73/72/504407372.db2.gz GWYCQYINXBKGKY-UHFFFAOYSA-N 0 3 358.445 3.475 20 30 FGEDHN C[C@@H]1[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000538955100 504428347 /nfs/dbraw/zinc/42/83/47/504428347.db2.gz ZEMHIGLFIRWUCB-HUUCEWRRSA-N 0 3 374.554 3.242 20 30 FGEDHN C=CCN(C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1)C1CC1 ZINC000538958469 504430816 /nfs/dbraw/zinc/43/08/16/504430816.db2.gz GPDYNYHADZOVIC-UHFFFAOYSA-N 0 3 370.541 3.257 20 30 FGEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1Br ZINC000528922834 504451768 /nfs/dbraw/zinc/45/17/68/504451768.db2.gz CAUPCQMGCLQAKN-CQSZACIVSA-N 0 3 363.255 3.068 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cccc(COC3CCOCC3)c2)nc(C)n1 ZINC000532267845 504591630 /nfs/dbraw/zinc/59/16/30/504591630.db2.gz UJWABVPNUSGICI-LJQANCHMSA-N 0 3 365.433 3.279 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000532352363 504620845 /nfs/dbraw/zinc/62/08/45/504620845.db2.gz QLZQUTLUUGPRBM-SFHLNBCPSA-N 0 3 370.541 3.152 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc2c1OCCO2)C(C)C ZINC000536270778 504683861 /nfs/dbraw/zinc/68/38/61/504683861.db2.gz VZVAQCPNCAZLLA-QGZVFWFLSA-N 0 3 359.470 3.278 20 30 FGEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000532568755 504694315 /nfs/dbraw/zinc/69/43/15/504694315.db2.gz VQBKOYSGBXSFCK-VXKWHMMOSA-N 0 3 367.468 3.467 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000543079362 504715946 /nfs/dbraw/zinc/71/59/46/504715946.db2.gz HUODDFAHDMDRNI-CABCVRRESA-N 0 3 365.433 3.413 20 30 FGEDHN CN(C)C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000549230570 504730961 /nfs/dbraw/zinc/73/09/61/504730961.db2.gz SHHRSKLLISLCMA-QGZVFWFLSA-N 0 3 357.841 3.010 20 30 FGEDHN N#CCCN(C(=O)CNC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000532708268 504741441 /nfs/dbraw/zinc/74/14/41/504741441.db2.gz TVCSLBYSQJNVIW-UHFFFAOYSA-N 0 3 363.461 3.229 20 30 FGEDHN COc1cccc([C@H]2CN(Cc3cnc4c(C#N)cnn4c3)CC2(C)C)c1 ZINC000529638939 504750143 /nfs/dbraw/zinc/75/01/43/504750143.db2.gz HMUREUONEXNAPG-LJQANCHMSA-N 0 3 361.449 3.235 20 30 FGEDHN N#Cc1ccccc1OC1CCC(NC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000549310639 504788953 /nfs/dbraw/zinc/78/89/53/504788953.db2.gz KGUMVVZMNOCCMH-UHFFFAOYSA-N 0 3 367.493 3.239 20 30 FGEDHN N#CC(CCN1CCN(c2ncc[nH]2)CC1)(c1ccccc1)c1ccccc1 ZINC000556068078 504790314 /nfs/dbraw/zinc/79/03/14/504790314.db2.gz NKUNUYWBYCDGFA-UHFFFAOYSA-N 0 3 371.488 3.432 20 30 FGEDHN Cc1ccc2c(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc(O)c2n1 ZINC000562379129 504799986 /nfs/dbraw/zinc/79/99/86/504799986.db2.gz LIUKNRRTMOKCBD-QGZVFWFLSA-N 0 3 360.417 3.169 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000553025791 504807667 /nfs/dbraw/zinc/80/76/67/504807667.db2.gz OALDVOHFYDHTLQ-DNVCBOLYSA-N 0 3 372.465 3.458 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000553025792 504807814 /nfs/dbraw/zinc/80/78/14/504807814.db2.gz OALDVOHFYDHTLQ-HNAYVOBHSA-N 0 3 372.465 3.458 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000553150955 504838614 /nfs/dbraw/zinc/83/86/14/504838614.db2.gz ORYYBMUPITUMPY-UHFFFAOYSA-N 0 3 373.545 3.071 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC2CC2)CC1 ZINC000549652059 504867797 /nfs/dbraw/zinc/86/77/97/504867797.db2.gz FCSDEDZVCVXDLG-UHFFFAOYSA-N 0 3 369.488 3.116 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CCCCN3C3CC3)CC2)cc1 ZINC000556682107 504938884 /nfs/dbraw/zinc/93/88/84/504938884.db2.gz MXFPQKQFMDMBGJ-NRFANRHFSA-N 0 3 364.493 3.374 20 30 FGEDHN C=CC1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000560088771 504989014 /nfs/dbraw/zinc/98/90/14/504989014.db2.gz NXTWMYKOUMYSIA-UHFFFAOYSA-N 0 3 357.498 3.267 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C#N)s2)C1 ZINC000562931819 504991567 /nfs/dbraw/zinc/99/15/67/504991567.db2.gz SWXDDFMMNPEKRY-GDBMZVCRSA-N 0 3 354.479 3.254 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccccc2N2CCCCC2)cc1 ZINC000563010917 505019532 /nfs/dbraw/zinc/01/95/32/505019532.db2.gz CIUBZZGBZGJGCO-FQEVSTJZSA-N 0 3 365.477 3.078 20 30 FGEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000560256927 505031155 /nfs/dbraw/zinc/03/11/55/505031155.db2.gz KBGKPGCESMNYOK-XOBRGWDASA-N 0 3 350.422 3.080 20 30 FGEDHN Cc1cccc(O[C@H]2CCCC[C@H]2NCc2cnc3c(C#N)cnn3c2)c1 ZINC000563150750 505060808 /nfs/dbraw/zinc/06/08/08/505060808.db2.gz QSFDYIWTUHGPIA-UXHICEINSA-N 0 3 361.449 3.389 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000566037848 505061652 /nfs/dbraw/zinc/06/16/52/505061652.db2.gz RZYAZOQVLYOCAG-SFHVURJKSA-N 0 3 367.497 3.024 20 30 FGEDHN N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000560431123 505082226 /nfs/dbraw/zinc/08/22/26/505082226.db2.gz OKOCAWLPNSECPC-HXUWFJFHSA-N 0 3 363.436 3.120 20 30 FGEDHN C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN(Cc2ccccc2)C1 ZINC000563233107 505082627 /nfs/dbraw/zinc/08/26/27/505082627.db2.gz DSBNYNWDEOVLCK-XJUOHMSHSA-N 0 3 359.473 3.443 20 30 FGEDHN C[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000566112519 505085316 /nfs/dbraw/zinc/08/53/16/505085316.db2.gz PBIGSHBSKAQBLA-ZDUSSCGKSA-N 0 3 364.417 3.003 20 30 FGEDHN CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000566121111 505088270 /nfs/dbraw/zinc/08/82/70/505088270.db2.gz XPBLJPSXZACQOJ-KNQAVFIVSA-N 0 3 364.445 3.168 20 30 FGEDHN CC[C@@H](N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000554115547 505093829 /nfs/dbraw/zinc/09/38/29/505093829.db2.gz AKMAFCUZJSEZSF-AZUAARDMSA-N 0 3 369.490 3.062 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000557219498 505094639 /nfs/dbraw/zinc/09/46/39/505094639.db2.gz AWXDVBCYHUIPIK-VSKRKVRLSA-N 0 3 374.488 3.355 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000560493796 505103063 /nfs/dbraw/zinc/10/30/63/505103063.db2.gz KLZWWLDORYVFHT-YPAWHYETSA-N 0 3 359.473 3.443 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000560493793 505103297 /nfs/dbraw/zinc/10/32/97/505103297.db2.gz KLZWWLDORYVFHT-BDTNDASRSA-N 0 3 359.473 3.443 20 30 FGEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000554272075 505131155 /nfs/dbraw/zinc/13/11/55/505131155.db2.gz GHKURLQCXDTIBJ-OLZOCXBDSA-N 0 3 353.388 3.349 20 30 FGEDHN CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000560587839 505134866 /nfs/dbraw/zinc/13/48/66/505134866.db2.gz DIRXDWVCOMLVFB-SFHVURJKSA-N 0 3 363.465 3.236 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)OCC ZINC000557647321 505192731 /nfs/dbraw/zinc/19/27/31/505192731.db2.gz ZDMMCECGEHWPNI-IRLDBZIGSA-N 0 3 356.510 3.482 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000557653797 505194323 /nfs/dbraw/zinc/19/43/23/505194323.db2.gz VMBSNTPYXYKNEO-BJLQDIEVSA-N 0 3 371.525 3.017 20 30 FGEDHN C=CCOc1ccc(CNC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000557799870 505233792 /nfs/dbraw/zinc/23/37/92/505233792.db2.gz KLSHTEQFQJSMMO-LJQANCHMSA-N 0 3 365.477 3.369 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1OC ZINC000557837329 505243423 /nfs/dbraw/zinc/24/34/23/505243423.db2.gz KWVVVEIQJRWYAR-MRXNPFEDSA-N 0 3 358.482 3.206 20 30 FGEDHN COc1ccc(CN2CC[C@@H](COC(F)F)C2)cc1OCCCC#N ZINC000566705544 505248862 /nfs/dbraw/zinc/24/88/62/505248862.db2.gz JVANLYJPODUXLK-OAHLLOKOSA-N 0 3 354.397 3.439 20 30 FGEDHN C=C(C)Cn1c(CC)nnc1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000563861244 505260095 /nfs/dbraw/zinc/26/00/95/505260095.db2.gz MTQBKKBIVNTUII-SFHVURJKSA-N 0 3 353.514 3.375 20 30 FGEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000551651056 505274423 /nfs/dbraw/zinc/27/44/23/505274423.db2.gz TZPLYOULUZDSNH-LJQANCHMSA-N 0 3 351.425 3.434 20 30 FGEDHN C[C@H](NC(C)(C)CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000558065324 505299593 /nfs/dbraw/zinc/29/95/93/505299593.db2.gz SGLJWQWIVCCPFL-INIZCTEOSA-N 0 3 371.506 3.107 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN([C@H](C)CO)C2CCCC2)c1C ZINC000558116138 505311574 /nfs/dbraw/zinc/31/15/74/505311574.db2.gz VAGLLFMLWAWKOC-QGZVFWFLSA-N 0 3 357.498 3.176 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H]3CCN(c4ccc(Cl)cc4)C3)n2c1 ZINC000551805087 505313079 /nfs/dbraw/zinc/31/30/79/505313079.db2.gz AAWUQMTUEFMWMR-INIZCTEOSA-N 0 3 351.841 3.228 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCN(CC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000566944124 505318250 /nfs/dbraw/zinc/31/82/50/505318250.db2.gz YGAIPQKHFOQKIU-LBPRGKRZSA-N 0 3 351.294 3.303 20 30 FGEDHN CC(C)N(CC(=O)N1CCCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000561377673 505330736 /nfs/dbraw/zinc/33/07/36/505330736.db2.gz ZCTOGONUXLZDFA-HXUWFJFHSA-N 0 3 369.509 3.399 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000552034405 505376559 /nfs/dbraw/zinc/37/65/59/505376559.db2.gz SUKIWWQFIGTTCL-KBXCAEBGSA-N 0 3 358.825 3.065 20 30 FGEDHN C=CCn1c(COCC)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000564383425 505401164 /nfs/dbraw/zinc/40/11/64/505401164.db2.gz SBOVQKSBQCNJRI-ZWKOTPCHSA-N 0 3 369.513 3.100 20 30 FGEDHN C=CCN1CC[C@H](NC(C)(C)c2ccc(Br)c(C)c2)C1=O ZINC000558476138 505402499 /nfs/dbraw/zinc/40/24/99/505402499.db2.gz PIRHTKUYBIBQBE-HNNXBMFYSA-N 0 3 351.288 3.369 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NCCN1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000558504702 505411606 /nfs/dbraw/zinc/41/16/06/505411606.db2.gz XASVUAVSXHOCIC-JOCHJYFZSA-N 0 3 364.468 3.096 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1c(F)cccc1C#N)N(C)C ZINC000552184550 505422929 /nfs/dbraw/zinc/42/29/29/505422929.db2.gz XAZYMUDUWKPWLW-QVKFZJNVSA-N 0 3 353.441 3.356 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000552258777 505443130 /nfs/dbraw/zinc/44/31/30/505443130.db2.gz XTLNOGBXRNJKMV-KQDNOMNESA-N 0 3 371.525 3.370 20 30 FGEDHN CN1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000552399579 505482973 /nfs/dbraw/zinc/48/29/73/505482973.db2.gz QGRBZRMAZMHSRN-PMACEKPBSA-N 0 3 363.436 3.291 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000555686653 505491727 /nfs/dbraw/zinc/49/17/27/505491727.db2.gz XYTPLANTLZNNSC-PXNSSMCTSA-N 0 3 372.852 3.105 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000552485921 505501106 /nfs/dbraw/zinc/50/11/06/505501106.db2.gz SBHWRUCXDLAMGL-HXUWFJFHSA-N 0 3 364.493 3.493 20 30 FGEDHN CSC1(CNC(=O)Nc2ccc(C#N)cc2Cl)CCN(C)CC1 ZINC000562088709 505514631 /nfs/dbraw/zinc/51/46/31/505514631.db2.gz HVRRREVHEVNFKA-UHFFFAOYSA-N 0 3 352.891 3.161 20 30 FGEDHN CCN(C[C@H](O)COc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000552579366 505517431 /nfs/dbraw/zinc/51/74/31/505517431.db2.gz FPKIMRALMCZVTB-QAPCUYQASA-N 0 3 368.433 3.110 20 30 FGEDHN C=CCC(CC=C)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000552637208 505525238 /nfs/dbraw/zinc/52/52/38/505525238.db2.gz PKZWWMUCGKGTBC-JOCHJYFZSA-N 0 3 367.537 3.174 20 30 FGEDHN CN1CCC[C@@H](NC[C@H](O)COc2ccc(CC#N)cc2)c2ccccc21 ZINC000567686757 505536543 /nfs/dbraw/zinc/53/65/43/505536543.db2.gz BRZOVRLIIYTWQN-GHTZIAJQSA-N 0 3 365.477 3.053 20 30 FGEDHN Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c(OCC2CC2)c1 ZINC000564849061 505538585 /nfs/dbraw/zinc/53/85/85/505538585.db2.gz IWHKMBYVDUPWJL-HXUWFJFHSA-N 0 3 366.461 3.185 20 30 FGEDHN C[C@H](CNC[C@H](O)COc1ccc(CC#N)cc1)Oc1ccccc1Cl ZINC000564854873 505540838 /nfs/dbraw/zinc/54/08/38/505540838.db2.gz PJILVEINUDBAAE-WBVHZDCISA-N 0 3 374.868 3.203 20 30 FGEDHN CCc1ccc(C2=CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000599346122 506421537 /nfs/dbraw/zinc/42/15/37/506421537.db2.gz YJAVWQIJYAGZBR-OAQYLSRUSA-N 0 3 354.494 3.409 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CCOCC1 ZINC000599350731 506422323 /nfs/dbraw/zinc/42/23/23/506422323.db2.gz YYGCSTASHPRIFJ-HZPDHXFCSA-N 0 3 374.378 3.480 20 30 FGEDHN Cc1cc([C@H](NC[C@H](O)COc2ccccc2C#N)C2CC2)ccc1F ZINC000599353808 506424910 /nfs/dbraw/zinc/42/49/10/506424910.db2.gz QSOWNDPEASSGJZ-GHTZIAJQSA-N 0 3 354.425 3.486 20 30 FGEDHN CCOC(=O)C[C@@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599356752 506426316 /nfs/dbraw/zinc/42/63/16/506426316.db2.gz GJJPVYSWCNAPAK-FOIQADDNSA-N 0 3 352.434 3.190 20 30 FGEDHN CC[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCc2ccccc2C1 ZINC000612099785 506434730 /nfs/dbraw/zinc/43/47/30/506434730.db2.gz JFQNRYHSILEKKY-PZJWPPBQSA-N 0 3 354.498 3.159 20 30 FGEDHN CN(C)CCOc1ccccc1-c1noc(Cc2c(F)cccc2C#N)n1 ZINC000589128417 506451704 /nfs/dbraw/zinc/45/17/04/506451704.db2.gz UOYLSFLCNQPJPF-UHFFFAOYSA-N 0 3 366.396 3.279 20 30 FGEDHN N#CCCC[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000599426942 506453085 /nfs/dbraw/zinc/45/30/85/506453085.db2.gz WYCSJLAYGHKYIX-OAQYLSRUSA-N 0 3 371.440 3.311 20 30 FGEDHN CCC(C#N)(CC)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000599498678 506474273 /nfs/dbraw/zinc/47/42/73/506474273.db2.gz VJWJRAOOBDVIHE-KRWDZBQOSA-N 0 3 357.498 3.333 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516859 506483127 /nfs/dbraw/zinc/48/31/27/506483127.db2.gz YIFNROWGRZUTRG-IAGOWNOFSA-N 0 3 364.436 3.216 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000582999679 506530780 /nfs/dbraw/zinc/53/07/80/506530780.db2.gz VEFZZIWMQOPXKC-HZPDHXFCSA-N 0 3 351.372 3.079 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000582999677 506531598 /nfs/dbraw/zinc/53/15/98/506531598.db2.gz VEFZZIWMQOPXKC-CVEARBPZSA-N 0 3 351.372 3.079 20 30 FGEDHN Cc1cccc([C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)c1 ZINC000599630420 506540798 /nfs/dbraw/zinc/54/07/98/506540798.db2.gz RJCZGSXIGTWLLU-LJQANCHMSA-N 0 3 357.479 3.022 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1cccs1 ZINC000612373731 506549203 /nfs/dbraw/zinc/54/92/03/506549203.db2.gz ZPMGFKVIQKKBKF-AYBZRNKSSA-N 0 3 360.527 3.466 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cccc(C#N)n2)N(C)C)cc1 ZINC000589462252 506557043 /nfs/dbraw/zinc/55/70/43/506557043.db2.gz LQXUQYWLHGCLHO-FQEVSTJZSA-N 0 3 350.466 3.184 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000612420983 506573337 /nfs/dbraw/zinc/57/33/37/506573337.db2.gz AHFLWKHFJKJRNL-SFTDATJTSA-N 0 3 360.461 3.111 20 30 FGEDHN Cc1cc2ncn(C[C@@H](O)CN3CCc4c(CC#N)cccc4C3)c2cc1C ZINC000599679447 506574297 /nfs/dbraw/zinc/57/42/97/506574297.db2.gz SIPIBDYQJKIGLS-FQEVSTJZSA-N 0 3 374.488 3.138 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000589585155 506591284 /nfs/dbraw/zinc/59/12/84/506591284.db2.gz SCYNROXMQNKBRS-UHFFFAOYSA-N 0 3 360.364 3.313 20 30 FGEDHN N#Cc1cccc(Oc2ccc(NC(=O)NCCN3CCCCC3)cn2)c1 ZINC000603691559 506596945 /nfs/dbraw/zinc/59/69/45/506596945.db2.gz IOHWENVJHPZAOI-UHFFFAOYSA-N 0 3 365.437 3.353 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000596785324 506597398 /nfs/dbraw/zinc/59/73/98/506597398.db2.gz UJYKQTWYJCHRQE-UHFFFAOYSA-N 0 3 367.428 3.126 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCC1(C#N)CCCCC1 ZINC000596864102 506643248 /nfs/dbraw/zinc/64/32/48/506643248.db2.gz VBALZDFHZNSQDK-UHFFFAOYSA-N 0 3 360.477 3.373 20 30 FGEDHN COc1cc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)c(F)cc1C#N ZINC000599811771 506651101 /nfs/dbraw/zinc/65/11/01/506651101.db2.gz DZFOOMWHDMMPAF-CQSZACIVSA-N 0 3 370.428 3.348 20 30 FGEDHN COc1cc(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)c(F)cc1C#N ZINC000599817983 506654649 /nfs/dbraw/zinc/65/46/49/506654649.db2.gz QGQBCAUSPBYBSG-INIZCTEOSA-N 0 3 370.428 3.000 20 30 FGEDHN COc1cc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c(F)cc1C#N ZINC000599820481 506656549 /nfs/dbraw/zinc/65/65/49/506656549.db2.gz WBCAVUOKUGWSJV-MRXNPFEDSA-N 0 3 370.428 3.000 20 30 FGEDHN CC(C)(C)c1n[nH]cc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692712 506734439 /nfs/dbraw/zinc/73/44/39/506734439.db2.gz INIIMYZFFDFZTK-UHFFFAOYSA-N 0 3 351.498 3.333 20 30 FGEDHN COC(=O)c1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000597128137 506791427 /nfs/dbraw/zinc/79/14/27/506791427.db2.gz URHOOMUZDFNRSH-UHFFFAOYSA-N 0 3 369.440 3.048 20 30 FGEDHN CN(C)[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)Cc1ccccc1 ZINC000609161318 506799688 /nfs/dbraw/zinc/79/96/88/506799688.db2.gz ZKRNKUUGLUOAJY-LJQANCHMSA-N 0 3 360.461 3.068 20 30 FGEDHN CN1C[C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)[C@H]2C1 ZINC000590444738 506824457 /nfs/dbraw/zinc/82/44/57/506824457.db2.gz KPJYGHJZIVNFCR-AEFFLSMTSA-N 0 3 363.486 3.486 20 30 FGEDHN CCOC(=O)c1cc(CNC2(c3cccc(C#N)c3)CCOCC2)[nH]c1C ZINC000597212144 506838808 /nfs/dbraw/zinc/83/88/08/506838808.db2.gz QHBXPWFLXIIWAN-UHFFFAOYSA-N 0 3 367.449 3.167 20 30 FGEDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2ccc(CC#N)cc2)CC1 ZINC000590541191 506855669 /nfs/dbraw/zinc/85/56/69/506855669.db2.gz IFOUHRIVVFFPIZ-HXUWFJFHSA-N 0 3 371.525 3.086 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)CC2(C#N)CCOCC2)CC1 ZINC000597258748 506867811 /nfs/dbraw/zinc/86/78/11/506867811.db2.gz SLNYMEPOWCSWPX-KRWDZBQOSA-N 0 3 355.482 3.039 20 30 FGEDHN COc1cccc(COC[C@@H](O)CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594032421 506895673 /nfs/dbraw/zinc/89/56/73/506895673.db2.gz HLJVKRYYGQHEFP-FQEVSTJZSA-N 0 3 366.461 3.113 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597355169 506910450 /nfs/dbraw/zinc/91/04/50/506910450.db2.gz JJTIIAUMONIVLZ-JLTOFOAXSA-N 0 3 369.415 3.477 20 30 FGEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccnc1 ZINC000609660998 506965376 /nfs/dbraw/zinc/96/53/76/506965376.db2.gz ASMFYGXZFFIZPS-QGZVFWFLSA-N 0 3 350.466 3.037 20 30 FGEDHN C[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCC[C@@H](C)C1 ZINC000594208619 507010185 /nfs/dbraw/zinc/01/01/85/507010185.db2.gz HEXJRSPHNCRPQI-IAGOWNOFSA-N 0 3 354.498 3.357 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(-n2ccnc2)c1)C(C)C ZINC000605127945 507086027 /nfs/dbraw/zinc/08/60/27/507086027.db2.gz DHPWIRNMERWCOI-FQEVSTJZSA-N 0 3 352.482 3.301 20 30 FGEDHN C[C@H]1CC(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000610101795 507101347 /nfs/dbraw/zinc/10/13/47/507101347.db2.gz CWZMJJZTRRALFB-IAGOWNOFSA-N 0 3 356.514 3.456 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000594428736 507127337 /nfs/dbraw/zinc/12/73/37/507127337.db2.gz PABIIKAOOXRQHM-LSDHHAIUSA-N 0 3 365.861 3.248 20 30 FGEDHN CCN(CC)C(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594430149 507129308 /nfs/dbraw/zinc/12/93/08/507129308.db2.gz ZHKACXMBIZLBQP-MRXNPFEDSA-N 0 3 364.877 3.172 20 30 FGEDHN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H](N)CCCCC#N ZINC000594435759 507131688 /nfs/dbraw/zinc/13/16/88/507131688.db2.gz KCPCYRWZSQYMGX-FQEVSTJZSA-N 0 3 350.466 3.330 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000594440543 507132740 /nfs/dbraw/zinc/13/27/40/507132740.db2.gz FAPQXYABCTVYAN-QGZVFWFLSA-N 0 3 356.401 3.040 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC000594454003 507140929 /nfs/dbraw/zinc/14/09/29/507140929.db2.gz QZLDFCKIGLOVFA-KRWDZBQOSA-N 0 3 356.401 3.040 20 30 FGEDHN CN(C)[C@@H](CNC(=O)CSc1ccc(C#N)cc1F)c1ccccc1 ZINC000610218804 507145211 /nfs/dbraw/zinc/14/52/11/507145211.db2.gz WAHOGGWMJZGJGM-KRWDZBQOSA-N 0 3 357.454 3.209 20 30 FGEDHN O=C(NCCNc1ccncc1)Nc1cccc(C#Cc2cccs2)c1 ZINC000605407332 507182382 /nfs/dbraw/zinc/18/23/82/507182382.db2.gz FARWWDZCDYSMGX-UHFFFAOYSA-N 0 3 362.458 3.198 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310809 507195496 /nfs/dbraw/zinc/19/54/96/507195496.db2.gz MYLIVHCGJBHOKY-QUCCMNQESA-N 0 3 361.449 3.031 20 30 FGEDHN N#Cc1cc(N[C@@H]2CCCN3CCCC[C@@H]23)nc2ccc([N+](=O)[O-])cc12 ZINC000594604036 507206815 /nfs/dbraw/zinc/20/68/15/507206815.db2.gz XCOZGNAAEJORHC-MSOLQXFVSA-N 0 3 351.410 3.443 20 30 FGEDHN C=CCCCN(C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000605737450 507281230 /nfs/dbraw/zinc/28/12/30/507281230.db2.gz CCPGYWSMLLPFHZ-UHFFFAOYSA-N 0 3 369.303 3.184 20 30 FGEDHN N#CC1(c2ccc(CN[C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)cc2)CC1 ZINC000594930634 507319758 /nfs/dbraw/zinc/31/97/58/507319758.db2.gz YEGLGKSGRUHBJR-BHIFYINESA-N 0 3 371.484 3.488 20 30 FGEDHN CCOc1ccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000594940912 507323215 /nfs/dbraw/zinc/32/32/15/507323215.db2.gz VNFSNZQYHNTCHX-NRFANRHFSA-N 0 3 363.461 3.156 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc4ccncc4s3)C2=O)cc1 ZINC000594944678 507324278 /nfs/dbraw/zinc/32/42/78/507324278.db2.gz USEUFQAEXFQFRQ-GOSISDBHSA-N 0 3 362.458 3.453 20 30 FGEDHN COc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1OC ZINC000594985607 507342845 /nfs/dbraw/zinc/34/28/45/507342845.db2.gz ZXMBRXLYJCTJIM-UHFFFAOYSA-N 0 3 352.434 3.371 20 30 FGEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000610718089 507362232 /nfs/dbraw/zinc/36/22/32/507362232.db2.gz MGPZUIKLVUSYNN-ZDUSSCGKSA-N 0 3 352.385 3.156 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(I)cc21 ZINC000595041704 507364701 /nfs/dbraw/zinc/36/47/01/507364701.db2.gz OQARJWSZFVDMOD-ZNMIVQPWSA-N 0 3 355.219 3.212 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000610722108 507364797 /nfs/dbraw/zinc/36/47/97/507364797.db2.gz HHOSFROKSYQPFV-KRWDZBQOSA-N 0 3 360.458 3.167 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC2(CC1)OCc1ccccc12 ZINC000610738850 507372438 /nfs/dbraw/zinc/37/24/38/507372438.db2.gz NHNQQUWBCZVGSC-UHFFFAOYSA-N 0 3 364.445 3.467 20 30 FGEDHN N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](F)[C@H](N)C3)cc2)c1 ZINC000595229783 507431588 /nfs/dbraw/zinc/43/15/88/507431588.db2.gz NLYIDRLNMJCXGG-QZTJIDSGSA-N 0 3 354.385 3.254 20 30 FGEDHN Cc1nc2ccc(Br)cc2c(N2CC[C@](O)(CC#N)C2)c1C ZINC000591974602 507437432 /nfs/dbraw/zinc/43/74/32/507437432.db2.gz JNYUANRTHFMRSY-QGZVFWFLSA-N 0 3 360.255 3.469 20 30 FGEDHN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](N)CCCCC#N ZINC000595258238 507442196 /nfs/dbraw/zinc/44/21/96/507442196.db2.gz AMAFUERGEBYDBW-JKSUJKDBSA-N 0 3 366.303 3.298 20 30 FGEDHN N#Cc1ccc(CCN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000595371878 507474312 /nfs/dbraw/zinc/47/43/12/507474312.db2.gz UXKJGXAJNARICV-LJQANCHMSA-N 0 3 352.413 3.136 20 30 FGEDHN CC(C)[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CCN1 ZINC000598571250 507494946 /nfs/dbraw/zinc/49/49/46/507494946.db2.gz IMFUBUJMWUQLNP-HXUWFJFHSA-N 0 3 363.461 3.207 20 30 FGEDHN N#CC1(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CCCCC1 ZINC000595450980 507503909 /nfs/dbraw/zinc/50/39/09/507503909.db2.gz XLLOWXNDYQYGOM-UHFFFAOYSA-N 0 3 368.525 3.467 20 30 FGEDHN N#CC1(CNC(=O)NCCCN2CCc3ccccc3C2)CCCCC1 ZINC000595450291 507504057 /nfs/dbraw/zinc/50/40/57/507504057.db2.gz SRQQGCRNOPXZRQ-UHFFFAOYSA-N 0 3 354.498 3.208 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000598590642 507508055 /nfs/dbraw/zinc/50/80/55/507508055.db2.gz UQBCNPLDMZEXAD-HXUWFJFHSA-N 0 3 351.494 3.258 20 30 FGEDHN COc1cc(CN(C)C[C@@H](O)CC(C)(C)C#N)c(SC)cc1OC ZINC000598592787 507510196 /nfs/dbraw/zinc/51/01/96/507510196.db2.gz MZEUBSZCXIXCSQ-AWEZNQCLSA-N 0 3 352.500 3.158 20 30 FGEDHN CCCCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@H]1CCc2ncsc2C1 ZINC000592187270 507529440 /nfs/dbraw/zinc/52/94/40/507529440.db2.gz ISACIHDDDQAHIP-HOTGVXAUSA-N 0 3 362.543 3.111 20 30 FGEDHN CCCN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCN(C)C1 ZINC000592258769 507566821 /nfs/dbraw/zinc/56/68/21/507566821.db2.gz WNHUKPGFTBNVGN-CQSZACIVSA-N 0 3 365.275 3.269 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3cn4cccc(F)c4n3)CC2)nc1 ZINC000611257843 507585432 /nfs/dbraw/zinc/58/54/32/507585432.db2.gz IJFFWSDNTGHFLP-UHFFFAOYSA-N 0 3 365.412 3.220 20 30 FGEDHN CCC(C)(C)[C@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000595638971 507607206 /nfs/dbraw/zinc/60/72/06/507607206.db2.gz QBVYEKADUDHWCM-INIZCTEOSA-N 0 3 362.518 3.366 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614659734 507608001 /nfs/dbraw/zinc/60/80/01/507608001.db2.gz DNUPOEBRVFDRAX-OAQYLSRUSA-N 0 3 353.466 3.112 20 30 FGEDHN CSc1cccc(N(C(=O)c2cc(C#N)ccn2)C2CCN(C)CC2)c1 ZINC000598815571 507617730 /nfs/dbraw/zinc/61/77/30/507617730.db2.gz RNWMKRBZBVSRIN-UHFFFAOYSA-N 0 3 366.490 3.416 20 30 FGEDHN CS(=O)(=O)Nc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390622 507658954 /nfs/dbraw/zinc/65/89/54/507658954.db2.gz LPOHFDTTWKBAGN-IBGZPJMESA-N 0 3 355.463 3.097 20 30 FGEDHN C[C@H]1CN(c2ccc(CN[C@H]3CCCc4cc(C#N)ccc43)cn2)CCO1 ZINC000611390520 507658978 /nfs/dbraw/zinc/65/89/78/507658978.db2.gz FRPTZVBTWHCTLB-KKSFZXQISA-N 0 3 362.477 3.346 20 30 FGEDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000592504843 507684139 /nfs/dbraw/zinc/68/41/39/507684139.db2.gz AFKGLXGMJDONBX-YVEFUNNKSA-N 0 3 355.829 3.120 20 30 FGEDHN CC1(C)[C@@H](NCc2cnc3c(C#N)cnn3c2)C[C@@H]1OCc1ccccc1 ZINC000592507908 507686154 /nfs/dbraw/zinc/68/61/54/507686154.db2.gz HIELNTSWKFEZCD-OALUTQOASA-N 0 3 361.449 3.074 20 30 FGEDHN Cc1csc(C(C#N)C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000041520508 695763297 /nfs/dbraw/zinc/76/32/97/695763297.db2.gz FSUKAOAFJGCNMS-HOTGVXAUSA-N 0 3 355.463 3.391 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(Cl)c2OCCOCC)CC1 ZINC000068801427 695944201 /nfs/dbraw/zinc/94/42/01/695944201.db2.gz QHPZMZGERUMZIM-UHFFFAOYSA-N 0 3 364.873 3.039 20 30 FGEDHN C=C(Br)CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074867312 700201028 /nfs/dbraw/zinc/20/10/28/700201028.db2.gz OKQQJAYTLSTARX-MRXNPFEDSA-N 0 3 366.303 3.201 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc3c(s2)CCOC3)cc1 ZINC000103330120 700483419 /nfs/dbraw/zinc/48/34/19/700483419.db2.gz CQDDWBJZQLTOFA-OAHLLOKOSA-N 0 3 354.431 3.344 20 30 FGEDHN N#CC(C(=O)CCc1cc(Br)cs1)C(=O)NC1CCCC1 ZINC000107409779 700516557 /nfs/dbraw/zinc/51/65/57/700516557.db2.gz AQXJWKNIAFCNHT-ZDUSSCGKSA-N 0 3 369.284 3.211 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000116655661 700595743 /nfs/dbraw/zinc/59/57/43/700595743.db2.gz ZZTXLEZHSWKEPX-LJQANCHMSA-N 0 3 352.503 3.493 20 30 FGEDHN N#CC(C(=O)CSCc1ccc(Cl)cc1)C(=O)NC1CCCC1 ZINC000119745003 700637724 /nfs/dbraw/zinc/63/77/24/700637724.db2.gz AZRXMXLWYWBFKG-HNNXBMFYSA-N 0 3 350.871 3.341 20 30 FGEDHN C[C@@H](CSc1ccc(F)cc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000120391333 700653912 /nfs/dbraw/zinc/65/39/12/700653912.db2.gz NFAJUVMIPKRYGU-SWLSCSKDSA-N 0 3 357.410 3.296 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCCCO1 ZINC000121947654 700682953 /nfs/dbraw/zinc/68/29/53/700682953.db2.gz FBXLQCLQLWWMLF-QWHCGFSZSA-N 0 3 354.378 3.218 20 30 FGEDHN N#CC(C(=O)CCc1cccc(Br)c1)C(=O)Nc1ccccn1 ZINC000125084386 700730052 /nfs/dbraw/zinc/73/00/52/700730052.db2.gz PGRHWLUZTZNZKL-CQSZACIVSA-N 0 3 372.222 3.124 20 30 FGEDHN Cc1cc(Cl)ccc1OCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126635357 700750929 /nfs/dbraw/zinc/75/09/29/700750929.db2.gz DMTBJYTYKCSCGY-MRXNPFEDSA-N 0 3 356.809 3.053 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000132689497 700830230 /nfs/dbraw/zinc/83/02/30/700830230.db2.gz WBKAIGYEHGDYQE-CMPLNLGQSA-N 0 3 369.234 3.000 20 30 FGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC000133205364 700836068 /nfs/dbraw/zinc/83/60/68/700836068.db2.gz IBEGWIDRJYCHSN-NSHDSACASA-N 0 3 372.837 3.117 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCc2csc(C)n2)cc1 ZINC000175114499 705533862 /nfs/dbraw/zinc/53/38/62/705533862.db2.gz BRRXQGOJJXCWQM-INIZCTEOSA-N 0 3 357.435 3.130 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2nc(C)sc2C)cc1Cl ZINC000178707393 705673941 /nfs/dbraw/zinc/67/39/41/705673941.db2.gz NEKBZNHLTUFRRT-LLVKDONJSA-N 0 3 363.826 3.383 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1ccccc1OCC#N)c1ccsc1 ZINC000194150896 713512205 /nfs/dbraw/zinc/51/22/05/713512205.db2.gz PZWVTPUGKREDDI-KRWDZBQOSA-N 0 3 357.479 3.463 20 30 FGEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)N(C)CC(F)(F)F ZINC000194905743 713538993 /nfs/dbraw/zinc/53/89/93/713538993.db2.gz SGDYQDQKHXJFLC-ZYHUDNBSSA-N 0 3 368.384 3.264 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H](C)c2cnc(C)s2)c(OC)c1 ZINC000634727479 717111292 /nfs/dbraw/zinc/11/12/92/717111292.db2.gz WEIZMRBBOFZHTK-XJKSGUPXSA-N 0 3 362.495 3.279 20 30 FGEDHN C=CCCn1cc(CNC[C@@H](c2cccs2)N2CCC(C)CC2)nn1 ZINC000657288980 719618965 /nfs/dbraw/zinc/61/89/65/719618965.db2.gz CNEOJQXBQHSHEG-SFHVURJKSA-N 0 3 359.543 3.479 20 30 FGEDHN C=CCN1C(=O)CC[C@@]12CCCN(c1cc(CN(C)C)ccn1)[C@@H]2CC ZINC001164700732 719823909 /nfs/dbraw/zinc/82/39/09/719823909.db2.gz MBDBYUPYMZBDDO-WIYYLYMNSA-N 0 3 356.514 3.069 20 30 FGEDHN N#Cc1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900534 721514648 /nfs/dbraw/zinc/51/46/48/721514648.db2.gz RWOZQSIGTMQWOA-WBVHZDCISA-N 0 3 372.831 3.088 20 30 FGEDHN N#C[C@@H](c1ccc(N2CCN(C3CCCC3)CC2)nn1)c1ccccc1F ZINC001165028168 721857469 /nfs/dbraw/zinc/85/74/69/721857469.db2.gz KDOBHHUDIHGIJT-GOSISDBHSA-N 0 3 365.456 3.336 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CCCO)C2CC2)cc1OC ZINC000678263333 721947761 /nfs/dbraw/zinc/94/77/61/721947761.db2.gz HLMBZKMUESZBFK-UHFFFAOYSA-N 0 3 370.287 3.369 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2sc(C(C)(C)OC)nc2C)CC1 ZINC000685716723 722400326 /nfs/dbraw/zinc/40/03/26/722400326.db2.gz NCIZWTOURLBOMO-UHFFFAOYSA-N 0 3 351.516 3.103 20 30 FGEDHN C#CCN1CCC(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000727340291 722443678 /nfs/dbraw/zinc/44/36/78/722443678.db2.gz UYSHNKPJTSXONX-UHFFFAOYSA-N 0 3 350.384 3.156 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)C1CCCCC1 ZINC000727838147 722448041 /nfs/dbraw/zinc/44/80/41/722448041.db2.gz CBDUWSWCGUTQRT-KRWDZBQOSA-N 0 3 366.299 3.492 20 30 FGEDHN C=CCN1CCC(NC(=S)Nc2cccc(Br)c2)CC1 ZINC000729942481 722463607 /nfs/dbraw/zinc/46/36/07/722463607.db2.gz GLZRTEUIBOFQGH-UHFFFAOYSA-N 0 3 354.317 3.386 20 30 FGEDHN Cc1ncsc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000731214585 722473982 /nfs/dbraw/zinc/47/39/82/722473982.db2.gz UJHRUHPSUXKJPG-LBPRGKRZSA-N 0 3 356.476 3.370 20 30 FGEDHN COC(=O)N(C)CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000746416890 722601857 /nfs/dbraw/zinc/60/18/57/722601857.db2.gz RCMQOAHWPADANL-GFCCVEGCSA-N 0 3 363.826 3.338 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000751144989 722796273 /nfs/dbraw/zinc/79/62/73/722796273.db2.gz AUUUYZNDSHFOME-NVXWUHKLSA-N 0 3 350.384 3.023 20 30 FGEDHN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNCc1ccc(C#N)s1 ZINC000756132938 722961195 /nfs/dbraw/zinc/96/11/95/722961195.db2.gz SQKCBELFGSPMSU-DOMZBBRYSA-N 0 3 365.499 3.470 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnc(Cl)c(Br)c2C)CC1 ZINC000759273964 723002430 /nfs/dbraw/zinc/00/24/30/723002430.db2.gz RQSRSOLUZYEZRG-UHFFFAOYSA-N 0 3 370.678 3.090 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cnc(OC)c(Cl)c2)cc1 ZINC000793123469 723401880 /nfs/dbraw/zinc/40/18/80/723401880.db2.gz IDBRRFJPUQFVPM-AWEZNQCLSA-N 0 3 357.797 3.267 20 30 FGEDHN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000793127810 723402584 /nfs/dbraw/zinc/40/25/84/723402584.db2.gz YGWSFVTXIBPEHS-DOMZBBRYSA-N 0 3 352.356 3.262 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(OC)c(Cl)n2)cc1 ZINC000766843367 723595200 /nfs/dbraw/zinc/59/52/00/723595200.db2.gz WNNSJPFYRYBLBL-CYBMUJFWSA-N 0 3 357.797 3.267 20 30 FGEDHN S=C(NN=C1CC2(CCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000772834290 723769642 /nfs/dbraw/zinc/76/96/42/723769642.db2.gz ZRYKGXVMWUAKBP-UHFFFAOYSA-N 0 3 356.539 3.435 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000772916763 723771618 /nfs/dbraw/zinc/77/16/18/723771618.db2.gz AUHVONGYCCGNBM-INIZCTEOSA-N 0 3 354.303 3.419 20 30 FGEDHN CCOC(=O)N[C@@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797568595 723835838 /nfs/dbraw/zinc/83/58/38/723835838.db2.gz JZZLHVKTGGQFEJ-DGCLKSJQSA-N 0 3 351.472 3.388 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)CCO1 ZINC000776518044 724154206 /nfs/dbraw/zinc/15/42/06/724154206.db2.gz ULRXSYGXATWCAZ-JFGNBEQYSA-N 0 3 355.221 3.456 20 30 FGEDHN CC1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC(C)(C)O1 ZINC000785524345 724919608 /nfs/dbraw/zinc/91/96/08/724919608.db2.gz YTAUIBICMYMEON-CYBMUJFWSA-N 0 3 357.479 3.362 20 30 FGEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000805856263 725100931 /nfs/dbraw/zinc/10/09/31/725100931.db2.gz SQHPIQHDZLSEPL-FQXIOZCDSA-N 0 3 355.221 3.456 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000809697331 725259703 /nfs/dbraw/zinc/25/97/03/725259703.db2.gz DYBRCBPEQRHEEN-DOTOQJQBSA-N 0 3 355.404 3.029 20 30 FGEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(NS(C)(=O)=O)c1 ZINC000810213751 725297110 /nfs/dbraw/zinc/29/71/10/725297110.db2.gz HGWYSLXGYXYUOQ-BFUOFWGJSA-N 0 3 355.463 3.268 20 30 FGEDHN CC(Cc1ccc(F)cc1Br)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000814886109 727008645 /nfs/dbraw/zinc/00/86/45/727008645.db2.gz RRSCRGCXSLWUIR-GASCZTMLSA-N 0 3 367.266 3.367 20 30 FGEDHN N#CC(C(=O)Cc1cscc1Br)C(=O)NC1CCCCC1 ZINC000815906673 727106171 /nfs/dbraw/zinc/10/61/71/727106171.db2.gz GHDDJLUGMWIARH-GFCCVEGCSA-N 0 3 369.284 3.211 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccnn1C ZINC000817713327 727278535 /nfs/dbraw/zinc/27/85/35/727278535.db2.gz BQYHKMIMWRRZFS-MWLCHTKSSA-N 0 3 365.220 3.178 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000818595618 727315802 /nfs/dbraw/zinc/31/58/02/727315802.db2.gz FFNWLLYGFLEQFL-INIZCTEOSA-N 0 3 354.416 3.345 20 30 FGEDHN C#CCOc1ccccc1CNC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000819073093 727344509 /nfs/dbraw/zinc/34/45/09/727344509.db2.gz SAQDONZIKZCUMT-LJQANCHMSA-N 0 3 359.853 3.019 20 30 FGEDHN CC1(C)Oc2ccsc2[C@H](NCCCOc2cccc(C#N)c2)[C@H]1O ZINC000821312201 729075164 /nfs/dbraw/zinc/07/51/64/729075164.db2.gz WVAFEYDXMNSAGW-FUHWJXTLSA-N 0 3 358.463 3.251 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000821918184 729131888 /nfs/dbraw/zinc/13/18/88/729131888.db2.gz OWRTYACJVPTXPS-KRWDZBQOSA-N 0 3 357.479 3.441 20 30 FGEDHN C#CC[C@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000827115190 729424579 /nfs/dbraw/zinc/42/45/79/729424579.db2.gz YGGKIRVTPXOVHC-QFBILLFUSA-N 0 3 359.539 3.456 20 30 FGEDHN C#CC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000831382202 729637986 /nfs/dbraw/zinc/63/79/86/729637986.db2.gz MBBLPXMVINCZBC-UHFFFAOYSA-N 0 3 357.523 3.155 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1scnc1-c1ccccc1 ZINC000835056146 729853648 /nfs/dbraw/zinc/85/36/48/729853648.db2.gz FCDJKZVOKBIIOU-HNNXBMFYSA-N 0 3 355.463 3.368 20 30 FGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000835340731 729880251 /nfs/dbraw/zinc/88/02/51/729880251.db2.gz PHTHPSWJRCNPBR-CJNGLKHVSA-N 0 3 353.249 3.328 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000836486943 729957427 /nfs/dbraw/zinc/95/74/27/729957427.db2.gz KORKTMHZPTUWCO-GOSISDBHSA-N 0 3 359.470 3.231 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000836486956 729957451 /nfs/dbraw/zinc/95/74/51/729957451.db2.gz KORKTMHZPTUWCO-SFHVURJKSA-N 0 3 359.470 3.231 20 30 FGEDHN CC1(C(=O)OCc2nc(C#N)cs2)CCN(Cc2ccccc2)CC1 ZINC000842094715 730293737 /nfs/dbraw/zinc/29/37/37/730293737.db2.gz ZYBISWGCBOPFIH-UHFFFAOYSA-N 0 3 355.463 3.360 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)C(=O)C[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000845529303 730862683 /nfs/dbraw/zinc/86/26/83/730862683.db2.gz UZSLMXALJDESGF-MPKXVKKWSA-N 0 3 369.248 3.449 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000850758644 731385865 /nfs/dbraw/zinc/38/58/65/731385865.db2.gz BXYTWEMAKPBROZ-RWMBFGLXSA-N 0 3 364.829 3.120 20 30 FGEDHN C#CC[C@@H](COC)NCc1cc(Br)c(OCCC)c(OC)c1 ZINC000858335705 732204670 /nfs/dbraw/zinc/20/46/70/732204670.db2.gz DJDVMIKVXYVFFS-AWEZNQCLSA-N 0 3 370.287 3.374 20 30 FGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000860470235 732518440 /nfs/dbraw/zinc/51/84/40/732518440.db2.gz XYPYZGXIPMINNQ-WNRNVDISSA-N 0 3 356.853 3.383 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000870135818 733814842 /nfs/dbraw/zinc/81/48/42/733814842.db2.gz FEBPZOCKAGCFJS-UMSGYPCISA-N 0 3 364.829 3.118 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(I)c1 ZINC000876552232 736113134 /nfs/dbraw/zinc/11/31/34/736113134.db2.gz NMTNDJBGHSJINR-NSHDSACASA-N 0 3 364.614 3.008 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2N=S(C)(C)=O)CC1 ZINC000879813030 737054539 /nfs/dbraw/zinc/05/45/39/737054539.db2.gz JCCOKDGTSMIMML-UHFFFAOYSA-N 0 3 364.515 3.208 20 30 FGEDHN C[C@@H]1C[C@@H]1[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Cl)cc1 ZINC000884157353 737639239 /nfs/dbraw/zinc/63/92/39/737639239.db2.gz YKZRJNHSHWZPJH-VTRVSWBRSA-N 0 3 357.885 3.293 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NCCCc1c(Cl)cccc1Cl)C2 ZINC000884389947 737660090 /nfs/dbraw/zinc/66/00/90/737660090.db2.gz JZNXMBSIHRTAMB-XYEKJYRLSA-N 0 3 366.292 3.182 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC(Oc3ccc(F)cc3F)CC2)CCC1 ZINC000885959088 739203345 /nfs/dbraw/zinc/20/33/45/739203345.db2.gz SBXCIIMGVCGUNS-OAHLLOKOSA-N 0 3 350.409 3.253 20 30 FGEDHN CN(C)C[C@@H](NC(=O)Nc1nc(Cl)c(C#N)s1)c1ccc(F)cc1 ZINC000888422026 739520794 /nfs/dbraw/zinc/52/07/94/739520794.db2.gz DBQHPPPGCXSDMF-LLVKDONJSA-N 0 3 367.837 3.232 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\C=C(Cl)Cl ZINC000900416024 743110062 /nfs/dbraw/zinc/11/00/62/743110062.db2.gz ABLWJCAFUYTQGA-YWEYNIOJSA-N 0 3 352.265 3.324 20 30 FGEDHN CCN1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)[C@@H](C)C1 ZINC000910293278 744436897 /nfs/dbraw/zinc/43/68/97/744436897.db2.gz NDOLAQHKPJCICT-ZDUSSCGKSA-N 0 3 358.511 3.109 20 30 FGEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000948706221 762343540 /nfs/dbraw/zinc/34/35/40/762343540.db2.gz XKIDIUASFWGWOY-RBSFLKMASA-N 0 3 350.915 3.451 20 30 FGEDHN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000916883256 758151111 /nfs/dbraw/zinc/15/11/11/758151111.db2.gz HYLVYJAZVRDDEW-CJNGLKHVSA-N 0 3 358.829 3.452 20 30 FGEDHN Cc1noc(C)c1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917099809 758178735 /nfs/dbraw/zinc/17/87/35/758178735.db2.gz GSNYPZUMTAQDQU-CYBMUJFWSA-N 0 3 354.435 3.209 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nccs2)cc1Cl ZINC000920111315 758513131 /nfs/dbraw/zinc/51/31/31/758513131.db2.gz LYLABQUADRKTNW-NSHDSACASA-N 0 3 363.826 3.085 20 30 FGEDHN C#CCN(C(=O)N[C@H](C)c1ccc2ncsc2c1)C1CCN(C)CC1 ZINC000922068724 758844631 /nfs/dbraw/zinc/84/46/31/758844631.db2.gz QDLLAATXTREDIN-CQSZACIVSA-N 0 3 356.495 3.096 20 30 FGEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](Cc2nccs2)C1)c1ccccc1 ZINC000934333281 761598250 /nfs/dbraw/zinc/59/82/50/761598250.db2.gz VUSJRAGTIZRDPW-PXNSSMCTSA-N 0 3 353.491 3.448 20 30 FGEDHN C[C@@H](N[C@@H]1CCOC12CCCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000934386975 761620048 /nfs/dbraw/zinc/62/00/48/761620048.db2.gz ATBGXCXJSTYLAX-MLGOLLRUSA-N 0 3 359.495 3.127 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2cccc(Cl)c2F)C1 ZINC000999427266 765160594 /nfs/dbraw/zinc/16/05/94/765160594.db2.gz HJXWQMDAOYVHJQ-BOXZVXIZSA-N 0 3 366.864 3.149 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001000429065 765226214 /nfs/dbraw/zinc/22/62/14/765226214.db2.gz XLIHZXGQOVMLPZ-LNLFQRSKSA-N 0 3 362.901 3.402 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001015819494 765807896 /nfs/dbraw/zinc/80/78/96/765807896.db2.gz JEUPNKFJAFYLAD-QYZOEREBSA-N 0 3 362.539 3.243 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001020167669 765866030 /nfs/dbraw/zinc/86/60/30/765866030.db2.gz ADHWZPSBWWRRPB-KONPQCLYSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022834064 766031434 /nfs/dbraw/zinc/03/14/34/766031434.db2.gz AGQHHWMXEJVKBO-ZMMAXQRCSA-N 0 3 362.901 3.448 20 30 FGEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001023550563 766040178 /nfs/dbraw/zinc/04/01/78/766040178.db2.gz GERFLRGPNRZDAU-RBSFLKMASA-N 0 3 350.915 3.357 20 30 FGEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001034743210 766248106 /nfs/dbraw/zinc/24/81/06/766248106.db2.gz RHBMRKPQVWUJHH-KBUPBQIOSA-N 0 3 367.287 3.309 20 30 FGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC001040354831 766303731 /nfs/dbraw/zinc/30/37/31/766303731.db2.gz SZRSWJPCUSRLJO-CLCXKQKWSA-N 0 3 362.926 3.453 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001045973458 766578793 /nfs/dbraw/zinc/57/87/93/766578793.db2.gz QXMQFAQWQJZSAX-OEUSNAHOSA-N 0 3 366.933 3.425 20 30 FGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C2 ZINC001054184605 766999976 /nfs/dbraw/zinc/99/99/76/766999976.db2.gz ICTJOFZCQCHYDP-CLCXKQKWSA-N 0 3 362.926 3.453 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000047950757 257342948 /nfs/dbraw/zinc/34/29/48/257342948.db2.gz GBKZDNIFARCTAJ-QGZVFWFLSA-N 0 3 354.479 3.256 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NCCCS(=O)(=O)Cc1ccccc1)CC2 ZINC000579652245 505594981 /nfs/dbraw/zinc/59/49/81/505594981.db2.gz UDUFQFCPAZZWOU-HXUWFJFHSA-N 0 3 354.475 3.140 20 30 FGEDHN COc1ccccc1-c1ccc([C@H](C)NC[C@H](O)CN(C)CCC#N)cc1 ZINC000579702589 505604961 /nfs/dbraw/zinc/60/49/61/505604961.db2.gz YELLOHHSAFRGLV-PXNSSMCTSA-N 0 3 367.493 3.219 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)[C@H]1Oc1ccccc1 ZINC000571210400 505679960 /nfs/dbraw/zinc/67/99/60/505679960.db2.gz DXVYHHDTSIFOOO-HMXCVIKNSA-N 0 3 352.434 3.281 20 30 FGEDHN C[C@H]1CCCN(C(=O)C2CCN(CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000048045864 493776262 /nfs/dbraw/zinc/77/62/62/493776262.db2.gz FBKUZXKFLSRARX-SFHVURJKSA-N 0 3 369.509 3.298 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000080927639 493793778 /nfs/dbraw/zinc/79/37/78/493793778.db2.gz VPJNUPQGDORYCD-VQTJNVASSA-N 0 3 365.452 3.391 20 30 FGEDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076201896 493843215 /nfs/dbraw/zinc/84/32/15/493843215.db2.gz RLENMKQJGRACSU-INIZCTEOSA-N 0 3 367.449 3.334 20 30 FGEDHN COc1cccc(COC[C@@H](O)CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000058397078 493848829 /nfs/dbraw/zinc/84/88/29/493848829.db2.gz VNEHVSNKOOSCHV-NRFANRHFSA-N 0 3 368.477 3.355 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000030535824 493895606 /nfs/dbraw/zinc/89/56/06/493895606.db2.gz XNPALZMULLVFDE-YJBOKZPZSA-N 0 3 355.434 3.234 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000050090969 493896496 /nfs/dbraw/zinc/89/64/96/493896496.db2.gz OOQXMIGTTUMPGV-GOSISDBHSA-N 0 3 352.438 3.300 20 30 FGEDHN Cn1c(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc2ccccc21 ZINC000068991597 493903488 /nfs/dbraw/zinc/90/34/88/493903488.db2.gz HRANSURWYCTKIL-MRXNPFEDSA-N 0 3 363.440 3.343 20 30 FGEDHN CC(C)(C)c1n[nH]cc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068991346 493903801 /nfs/dbraw/zinc/90/38/01/493903801.db2.gz YCLQOGNPYNLPGX-MRXNPFEDSA-N 0 3 355.461 3.477 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000081729553 493948140 /nfs/dbraw/zinc/94/81/40/493948140.db2.gz XZBJRZQOHDFNNV-VQTJNVASSA-N 0 3 362.477 3.166 20 30 FGEDHN COc1cccc(COC[C@H](O)CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000069520451 493978434 /nfs/dbraw/zinc/97/84/34/493978434.db2.gz VNEHVSNKOOSCHV-OAQYLSRUSA-N 0 3 368.477 3.355 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)c3sccc3C#N)CC2)cc1 ZINC000052050579 494003070 /nfs/dbraw/zinc/00/30/70/494003070.db2.gz LCWBRRVTXJUFSR-UHFFFAOYSA-N 0 3 369.490 3.270 20 30 FGEDHN Cc1csc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000069829124 494020035 /nfs/dbraw/zinc/02/00/35/494020035.db2.gz VWRWRXXDDGUKER-OAHLLOKOSA-N 0 3 371.510 3.158 20 30 FGEDHN Cc1[nH]c2ccccc2c1C1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000052464745 494028043 /nfs/dbraw/zinc/02/80/43/494028043.db2.gz RGYJHKITWNSIRC-INIZCTEOSA-N 0 3 352.482 3.416 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(CC(C)C)C(C)C ZINC000063495844 494060512 /nfs/dbraw/zinc/06/05/12/494060512.db2.gz SCCQISSEETXJFD-UHFFFAOYSA-N 0 3 362.518 3.318 20 30 FGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccco1 ZINC000008484745 494093007 /nfs/dbraw/zinc/09/30/07/494093007.db2.gz FUGMMTRUBPXXJC-LLVKDONJSA-N 0 3 373.463 3.292 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2csc(-c3ccccc3)n2)CC1 ZINC000084900074 494103037 /nfs/dbraw/zinc/10/30/37/494103037.db2.gz WQWNUSQWJGPZGH-UHFFFAOYSA-N 0 3 370.522 3.302 20 30 FGEDHN Cc1ccccc1C1(O)CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000072795004 494252305 /nfs/dbraw/zinc/25/23/05/494252305.db2.gz KZPQDJRLQZXTBX-UHFFFAOYSA-N 0 3 363.461 3.179 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2)on1 ZINC000065930902 494256946 /nfs/dbraw/zinc/25/69/46/494256946.db2.gz VUGPJYOYLUTYEB-UHFFFAOYSA-N 0 3 374.444 3.417 20 30 FGEDHN CCc1cccc(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065931123 494257099 /nfs/dbraw/zinc/25/70/99/494257099.db2.gz XENDQNHAEDKQEN-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN CCN(CC)[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000072834579 494260673 /nfs/dbraw/zinc/26/06/73/494260673.db2.gz AIFCIOJFZVBKSV-KRWDZBQOSA-N 0 3 352.482 3.154 20 30 FGEDHN COC(=O)[C@@H](C)[C@@H](NCCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000089141097 494268542 /nfs/dbraw/zinc/26/85/42/494268542.db2.gz VDTPDKAJCHXWQO-MGPUTAFESA-N 0 3 368.433 3.086 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(-c2nnc(C)o2)c1)C(C)C ZINC000073640520 494405619 /nfs/dbraw/zinc/40/56/19/494405619.db2.gz RWSMDEUUNNBWIS-IBGZPJMESA-N 0 3 368.481 3.473 20 30 FGEDHN COc1cc(CN(CCOc2ccc(C#N)cc2OC)C2CC2)ccc1O ZINC000089973368 494417935 /nfs/dbraw/zinc/41/79/35/494417935.db2.gz QYJLGDSMCFTIFL-UHFFFAOYSA-N 0 3 368.433 3.324 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CC)[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC000066978739 494450603 /nfs/dbraw/zinc/45/06/03/494450603.db2.gz XZWIMAQRWQQVTD-QGZVFWFLSA-N 0 3 359.514 3.308 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2c(C)nn(C)c2s1)C(C)C ZINC000046049036 494490014 /nfs/dbraw/zinc/49/00/14/494490014.db2.gz LZKNODURPMYAFK-INIZCTEOSA-N 0 3 360.527 3.372 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1nnc(C(F)F)s1)C(C)C ZINC000067586645 494575569 /nfs/dbraw/zinc/57/55/69/494575569.db2.gz AAKQSSCIHSGQIJ-LLVKDONJSA-N 0 3 359.446 3.296 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000047010908 494617151 /nfs/dbraw/zinc/61/71/51/494617151.db2.gz DQXZYIAPGLTOPR-UHFFFAOYSA-N 0 3 371.868 3.181 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)nc1 ZINC000080230857 494644744 /nfs/dbraw/zinc/64/47/44/494644744.db2.gz BBXJHCQVTLRORS-YLJYHZDGSA-N 0 3 364.493 3.462 20 30 FGEDHN N#Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000047262482 494668666 /nfs/dbraw/zinc/66/86/66/494668666.db2.gz CAZQLALIHHKJSW-UHFFFAOYSA-N 0 3 354.841 3.457 20 30 FGEDHN COc1ccc([C@H](CNc2snc(Cl)c2C#N)N(C)C)cc1OC ZINC000092582676 494675314 /nfs/dbraw/zinc/67/53/14/494675314.db2.gz QRAVQWOJDGUYNN-LBPRGKRZSA-N 0 3 366.874 3.400 20 30 FGEDHN C=CCOc1ccc(CN2CCC(C(=O)N(CC)CC)CC2)cc1OC ZINC000092592953 494681863 /nfs/dbraw/zinc/68/18/63/494681863.db2.gz QNPYJMFRJGTDOQ-UHFFFAOYSA-N 0 3 360.498 3.340 20 30 FGEDHN N#CCSc1ccccc1NC(=O)CN1CCC[C@H](N2CCCCC2)C1 ZINC000108380558 494692015 /nfs/dbraw/zinc/69/20/15/494692015.db2.gz CDULYOIRDXDQOZ-KRWDZBQOSA-N 0 3 372.538 3.191 20 30 FGEDHN N#CCSc1ccccc1NC(=O)CN1CCC[C@@H](N2CCCCC2)C1 ZINC000108380563 494692714 /nfs/dbraw/zinc/69/27/14/494692714.db2.gz CDULYOIRDXDQOZ-QGZVFWFLSA-N 0 3 372.538 3.191 20 30 FGEDHN C[C@H]1C[C@H](C)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000025508312 494748608 /nfs/dbraw/zinc/74/86/08/494748608.db2.gz LOIHCCMCIOLKJT-GJZGRUSLSA-N 0 3 352.400 3.151 20 30 FGEDHN C[C@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000047933187 494796078 /nfs/dbraw/zinc/79/60/78/494796078.db2.gz QNYDDXMHVNXOPJ-JXFKEZNVSA-N 0 3 350.466 3.091 20 30 FGEDHN CC(C)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000075634931 494805703 /nfs/dbraw/zinc/80/57/03/494805703.db2.gz QBIVYJVXKRQKIE-UHFFFAOYSA-N 0 3 374.554 3.243 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCC(=O)NCC2CCCCC2)CC1 ZINC000109003897 494819842 /nfs/dbraw/zinc/81/98/42/494819842.db2.gz NEKDURWKBYMLBG-UHFFFAOYSA-N 0 3 368.525 3.157 20 30 FGEDHN N#Cc1cccc(OC2CCN(CCC(=O)NCC3CCCCC3)CC2)c1 ZINC000109005186 494819973 /nfs/dbraw/zinc/81/99/73/494819973.db2.gz INIBNASENMXCBG-UHFFFAOYSA-N 0 3 369.509 3.488 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000121693540 494839266 /nfs/dbraw/zinc/83/92/66/494839266.db2.gz LNBVCIXJXIJBHZ-IAGOWNOFSA-N 0 3 359.489 3.409 20 30 FGEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116807172 494855964 /nfs/dbraw/zinc/85/59/64/494855964.db2.gz QQFBETYEYFJENO-SIKLNZKXSA-N 0 3 368.525 3.177 20 30 FGEDHN O=C(c1ccccc1)C(C(=S)[N-]C1CCCCC1)[n+]1cccc(CO)c1 ZINC000027330123 494862022 /nfs/dbraw/zinc/86/20/22/494862022.db2.gz KCBCFAASMDXDSX-UHFFFAOYSA-O 0 3 369.510 3.328 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000574326326 505747973 /nfs/dbraw/zinc/74/79/73/505747973.db2.gz AFQPLMYDFAXVMN-HNNXBMFYSA-N 0 3 362.886 3.143 20 30 FGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](N(C)C)C1 ZINC000109804671 494920500 /nfs/dbraw/zinc/92/05/00/494920500.db2.gz CHIADVJKLMNJRA-CABCVRRESA-N 0 3 374.554 3.242 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000127529117 494957861 /nfs/dbraw/zinc/95/78/61/494957861.db2.gz CUAODGBNHKPTES-OCCSQVGLSA-N 0 3 358.511 3.107 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000118481751 495005852 /nfs/dbraw/zinc/00/58/52/495005852.db2.gz FNCMFZRLKWXSRN-SJLPKXTDSA-N 0 3 351.535 3.167 20 30 FGEDHN CN(C(=O)C1CC1)c1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122996699 495065513 /nfs/dbraw/zinc/06/55/13/495065513.db2.gz ZWXFIWOHDMLLHE-INIZCTEOSA-N 0 3 372.428 3.436 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@@](C)(O)CC)cc1OC ZINC000111384405 495070236 /nfs/dbraw/zinc/07/02/36/495070236.db2.gz COSPAPWEKJQBGP-INIZCTEOSA-N 0 3 358.276 3.273 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123077581 495076750 /nfs/dbraw/zinc/07/67/50/495076750.db2.gz KZLAVDIUNJVMMD-YWZLYKJASA-N 0 3 356.441 3.398 20 30 FGEDHN CCN(CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CC1 ZINC000101957629 495111359 /nfs/dbraw/zinc/11/13/59/495111359.db2.gz ZUFOCPKBVJDPOE-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN CN(CCN1CCCC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000103115805 495194496 /nfs/dbraw/zinc/19/44/96/495194496.db2.gz NMBMULSICNHKEA-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000123982267 495216534 /nfs/dbraw/zinc/21/65/34/495216534.db2.gz AQUXLIFJZHOIHY-OAHLLOKOSA-N 0 3 351.450 3.461 20 30 FGEDHN N#CCCCCS(=O)(=O)NCc1ccccc1CN1CCCCCC1 ZINC000112706467 495227467 /nfs/dbraw/zinc/22/74/67/495227467.db2.gz NIBPKOFCQQGQBD-UHFFFAOYSA-N 0 3 363.527 3.176 20 30 FGEDHN CC(C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCC1 ZINC000119746462 495232326 /nfs/dbraw/zinc/23/23/26/495232326.db2.gz SEALZWXIEOTEQB-UHFFFAOYSA-N 0 3 352.400 3.436 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000135420022 495290189 /nfs/dbraw/zinc/29/01/89/495290189.db2.gz GJPOFRGZPGSZEJ-HNNXBMFYSA-N 0 3 369.469 3.137 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)cc2OC)CC1 ZINC000106035149 495405807 /nfs/dbraw/zinc/40/58/07/495405807.db2.gz YHGHNJKWWXBVRK-UHFFFAOYSA-N 0 3 367.287 3.228 20 30 FGEDHN CC(C)Oc1cccc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000120563741 495406012 /nfs/dbraw/zinc/40/60/12/495406012.db2.gz MRBUFAFABIVIJF-FQEVSTJZSA-N 0 3 368.477 3.412 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2CC)CC1 ZINC000106037473 495406267 /nfs/dbraw/zinc/40/62/67/495406267.db2.gz ZNOLEQYVHYMQAJ-UHFFFAOYSA-N 0 3 370.472 3.344 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CSc2nc3ccccc3n2CC)CC1 ZINC000106039790 495407221 /nfs/dbraw/zinc/40/72/21/495407221.db2.gz PTXUWMGHCRIEKD-UHFFFAOYSA-N 0 3 372.538 3.305 20 30 FGEDHN N#CCc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CN)c(Cl)c1 ZINC000571642520 505780818 /nfs/dbraw/zinc/78/08/18/505780818.db2.gz PHQUDEJTKWGSBL-SFHVURJKSA-N 0 3 354.841 3.496 20 30 FGEDHN COc1ccc(C#N)cc1CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000125316624 495425519 /nfs/dbraw/zinc/42/55/19/495425519.db2.gz FFEHMFPPIZYRNQ-UHFFFAOYSA-N 0 3 365.481 3.075 20 30 FGEDHN O=C1C[C@@H]([C@@H]2CCCCN2CC#Cc2ccc(C(F)(F)F)cc2)CN1 ZINC000125338828 495428480 /nfs/dbraw/zinc/42/84/80/495428480.db2.gz CDVHAOBDQAJUJS-WBVHZDCISA-N 0 3 350.384 3.048 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(O)c(OC)c2)C2CC2)CC1 ZINC000106340626 495446242 /nfs/dbraw/zinc/44/62/42/495446242.db2.gz QKVJGHFWFQAFGG-UHFFFAOYSA-N 0 3 373.497 3.115 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000106340691 495446634 /nfs/dbraw/zinc/44/66/34/495446634.db2.gz HACPYPKZHSEDLJ-NRFANRHFSA-N 0 3 371.525 3.418 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000115433917 495503878 /nfs/dbraw/zinc/50/38/78/495503878.db2.gz JFGFGOZPDKIGPO-KRWDZBQOSA-N 0 3 367.449 3.144 20 30 FGEDHN COc1ccc(CNC[C@@H](O)c2ccccc2OC)cc1OCCCC#N ZINC000147180182 495573620 /nfs/dbraw/zinc/57/36/20/495573620.db2.gz KVJPPQQCKHTAFV-GOSISDBHSA-N 0 3 370.449 3.210 20 30 FGEDHN COc1ncccc1NC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000179458210 495598971 /nfs/dbraw/zinc/59/89/71/495598971.db2.gz FGFDDQQNUQFBNW-ZDUSSCGKSA-N 0 3 350.403 3.460 20 30 FGEDHN CN(C[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785724 505791919 /nfs/dbraw/zinc/79/19/19/505791919.db2.gz ZNPIEVSOVUHHKP-QFIPXVFZSA-N 0 3 367.468 3.155 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000173594238 495604802 /nfs/dbraw/zinc/60/48/02/495604802.db2.gz JIJZNFGFGZPMLR-UHFFFAOYSA-N 0 3 360.527 3.012 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000185735041 495702307 /nfs/dbraw/zinc/70/23/07/495702307.db2.gz CNXLFZNANLTXNH-VQTJNVASSA-N 0 3 371.525 3.320 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC2(Cc3ccccc3)CCCC2)cc1 ZINC000185835320 495742954 /nfs/dbraw/zinc/74/29/54/495742954.db2.gz JHUYGEPZADBKJI-UHFFFAOYSA-N 0 3 368.502 3.477 20 30 FGEDHN C=CCOc1cccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000185852173 495750635 /nfs/dbraw/zinc/75/06/35/495750635.db2.gz IOQLEVLUBUVEJZ-UHFFFAOYSA-N 0 3 372.490 3.081 20 30 FGEDHN Cc1cc(=O)c(C(=O)C(C#N)c2ccccn2)nn1-c1cccc(Cl)c1 ZINC000173951747 495760805 /nfs/dbraw/zinc/76/08/05/495760805.db2.gz RDTQMMFMYZKUQP-HNNXBMFYSA-N 0 3 364.792 3.079 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174094961 495818316 /nfs/dbraw/zinc/81/83/16/495818316.db2.gz VKASZLDEQDZNGC-LBPRGKRZSA-N 0 3 354.376 3.383 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186024199 495825234 /nfs/dbraw/zinc/82/52/34/495825234.db2.gz MNIAXOWHAZWTBT-LPHOPBHVSA-N 0 3 358.449 3.386 20 30 FGEDHN CCc1nnc(NCC2CCN(c3ccncc3)CC2)c(C#N)c1CC ZINC000180041403 495833786 /nfs/dbraw/zinc/83/37/86/495833786.db2.gz AIMLIKPOHTXCBX-UHFFFAOYSA-N 0 3 350.470 3.197 20 30 FGEDHN N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000176950934 495854894 /nfs/dbraw/zinc/85/48/94/495854894.db2.gz GTTCNMRIJQSJPU-CYBMUJFWSA-N 0 3 374.847 3.057 20 30 FGEDHN N#Cc1cccc(-c2nnc(N3CC[C@@H](N4CCCCC4)C3)n2C2CC2)c1 ZINC000571767591 505810700 /nfs/dbraw/zinc/81/07/00/505810700.db2.gz BIDXKXLXCKYTLX-LJQANCHMSA-N 0 3 362.481 3.216 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)COc2c(C)cccc2C)CC1 ZINC000171556892 495925937 /nfs/dbraw/zinc/92/59/37/495925937.db2.gz FINHQENBLUXHOI-SFHVURJKSA-N 0 3 359.514 3.410 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](c3cc[nH]n3)C1)CCC2 ZINC000171630614 495956569 /nfs/dbraw/zinc/95/65/69/495956569.db2.gz VVPWISPCCJVNRK-ZDUSSCGKSA-N 0 3 369.494 3.040 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151831050 495961440 /nfs/dbraw/zinc/96/14/40/495961440.db2.gz YEKKXRSDUXAKNR-GJZGRUSLSA-N 0 3 359.451 3.129 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2ccc(OCCCC)cc2)CC1 ZINC000171709878 495999729 /nfs/dbraw/zinc/99/97/29/495999729.db2.gz ZBRCLBRZPVXXJD-UHFFFAOYSA-N 0 3 359.514 3.358 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000171712346 496001110 /nfs/dbraw/zinc/00/11/10/496001110.db2.gz IQDCFBLEVSYHQU-UHFFFAOYSA-N 0 3 371.403 3.077 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ccccc2Br)CC1 ZINC000171717797 496004441 /nfs/dbraw/zinc/00/44/41/496004441.db2.gz AOBFQJMJZOSJCJ-UHFFFAOYSA-N 0 3 351.288 3.148 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000171719331 496005504 /nfs/dbraw/zinc/00/55/04/496005504.db2.gz GYSSDLCKXFFLQY-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN CC1(O)CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000177321927 496017514 /nfs/dbraw/zinc/01/75/14/496017514.db2.gz BLPMDOGDOJFJSQ-UHFFFAOYSA-N 0 3 361.511 3.064 20 30 FGEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3cccnc3)n2)cc1 ZINC000155646317 496023700 /nfs/dbraw/zinc/02/37/00/496023700.db2.gz PAKIIOGBTIJJIG-OAHLLOKOSA-N 0 3 350.403 3.460 20 30 FGEDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCC#N)cc1 ZINC000171768402 496028166 /nfs/dbraw/zinc/02/81/66/496028166.db2.gz ZBYUWGJYGADOHI-INIZCTEOSA-N 0 3 369.440 3.415 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000183586368 496039495 /nfs/dbraw/zinc/03/94/95/496039495.db2.gz UBZINBUJWKKFQI-SFHVURJKSA-N 0 3 373.460 3.470 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@@H]2CCCOC2)c1C ZINC000574634111 505820234 /nfs/dbraw/zinc/82/02/34/505820234.db2.gz JHJWMHCWXMPFAX-TZIWHRDSSA-N 0 3 369.509 3.441 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)NC1(C#N)CCCCC1 ZINC000160865276 496056673 /nfs/dbraw/zinc/05/66/73/496056673.db2.gz LGWYZDYYDHEQDH-IAGOWNOFSA-N 0 3 365.481 3.254 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(O[C@@H](C)CC)c2)CC1 ZINC000180618411 496071756 /nfs/dbraw/zinc/07/17/56/496071756.db2.gz VVTJCPCCKKTXDD-INIZCTEOSA-N 0 3 360.502 3.099 20 30 FGEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000180624575 496073846 /nfs/dbraw/zinc/07/38/46/496073846.db2.gz XSBGHDVGBJABDO-DOTOQJQBSA-N 0 3 371.481 3.230 20 30 FGEDHN N#Cc1cccc(NCC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000155842200 496084747 /nfs/dbraw/zinc/08/47/47/496084747.db2.gz WQBOTVTUTXBFQX-QGZVFWFLSA-N 0 3 368.506 3.060 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](CCO)C2CCCCC2)c1C ZINC000183707019 496087914 /nfs/dbraw/zinc/08/79/14/496087914.db2.gz SEOAIIYCZHZOEU-HXUWFJFHSA-N 0 3 371.525 3.471 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000171944054 496104012 /nfs/dbraw/zinc/10/40/12/496104012.db2.gz VRILWUWJMZETOU-UHFFFAOYSA-N 0 3 364.287 3.172 20 30 FGEDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000186713766 496118376 /nfs/dbraw/zinc/11/83/76/496118376.db2.gz JNZGQTQBAYMGQT-SFHVURJKSA-N 0 3 365.499 3.133 20 30 FGEDHN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000180830865 496162125 /nfs/dbraw/zinc/16/21/25/496162125.db2.gz ONHOYLCOTZKOGG-QGZVFWFLSA-N 0 3 365.481 3.208 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N1CCN(c2ccnc3ccccc32)CC1)OCC ZINC000574699059 505835409 /nfs/dbraw/zinc/83/54/09/505835409.db2.gz LSOIZXWGKKFPHJ-HXUWFJFHSA-N 0 3 353.466 3.255 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000177912385 496248438 /nfs/dbraw/zinc/24/84/38/496248438.db2.gz PPMUVBRTBPSNQF-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1C#N ZINC000156515709 496266086 /nfs/dbraw/zinc/26/60/86/496266086.db2.gz KOGVPMYEIBUEJK-UHFFFAOYSA-N 0 3 354.454 3.214 20 30 FGEDHN COc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000187049169 496268927 /nfs/dbraw/zinc/26/89/27/496268927.db2.gz RPYKHLXVKDUIPG-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000172415964 496289624 /nfs/dbraw/zinc/28/96/24/496289624.db2.gz XZRVEPFBWIHJSJ-UHFFFAOYSA-N 0 3 357.523 3.268 20 30 FGEDHN CCC(CC)n1nccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000162113992 496298387 /nfs/dbraw/zinc/29/83/87/496298387.db2.gz PDTRBGSUTICSRI-UHFFFAOYSA-N 0 3 367.497 3.320 20 30 FGEDHN CCCCn1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)n1 ZINC000184238700 496299964 /nfs/dbraw/zinc/29/99/64/496299964.db2.gz QLKRIGJGYAMHFH-UHFFFAOYSA-N 0 3 367.497 3.067 20 30 FGEDHN C=CCCO[C@H](C)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000153012746 496324934 /nfs/dbraw/zinc/32/49/34/496324934.db2.gz ZSHAKHNLBTXHLU-IEBWSBKVSA-N 0 3 368.481 3.250 20 30 FGEDHN N#Cc1ccc(CN(C[C@@H](O)COc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000178091317 496326639 /nfs/dbraw/zinc/32/66/39/496326639.db2.gz YYNVVSATAOPRBJ-LJQANCHMSA-N 0 3 361.445 3.444 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000181403836 496381740 /nfs/dbraw/zinc/38/17/40/496381740.db2.gz GLKZPAPIJNSIFP-BZSNNMDCSA-N 0 3 351.535 3.262 20 30 FGEDHN Cc1cccc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000157028903 496390286 /nfs/dbraw/zinc/39/02/86/496390286.db2.gz PTYDKPXCYZWSLI-UHFFFAOYSA-N 0 3 364.493 3.183 20 30 FGEDHN CCOc1ncccc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181469458 496409724 /nfs/dbraw/zinc/40/97/24/496409724.db2.gz ZOLLEUAQZAMTDA-UHFFFAOYSA-N 0 3 350.466 3.106 20 30 FGEDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(C#N)c1 ZINC000181509585 496424954 /nfs/dbraw/zinc/42/49/54/496424954.db2.gz AITVLHHROSUIGJ-ZACQAIPSSA-N 0 3 350.466 3.418 20 30 FGEDHN CN(C)CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000181585885 496457574 /nfs/dbraw/zinc/45/75/74/496457574.db2.gz OZHTYVWLCMOTGR-UHFFFAOYSA-N 0 3 372.856 3.474 20 30 FGEDHN C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc(OCC#N)cc1 ZINC000181777704 496541145 /nfs/dbraw/zinc/54/11/45/496541145.db2.gz RHOHTQVWXVYEIG-GFCCVEGCSA-N 0 3 365.359 3.160 20 30 FGEDHN CC(C)OC(=O)C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000181831461 496563374 /nfs/dbraw/zinc/56/33/74/496563374.db2.gz AUBUJYIKHYZUHM-VQTJNVASSA-N 0 3 352.434 3.264 20 30 FGEDHN CCOc1cccc2cc([C@H](C)NCCNC(=O)C3N=CC=CC3=O)oc21 ZINC000181963115 496615116 /nfs/dbraw/zinc/61/51/16/496615116.db2.gz SMXFCPPGVNTKJR-HGENEIFLSA-N 0 3 369.421 3.009 20 30 FGEDHN COc1cc(NCCN[C@H](C)c2ccc(OCC#N)cc2)cc(OC)c1 ZINC000182056360 496651598 /nfs/dbraw/zinc/65/15/98/496651598.db2.gz LIBCIOSRXMMSTL-OAHLLOKOSA-N 0 3 355.438 3.369 20 30 FGEDHN CCC(CC)(CNS(=O)(=O)CC1(C#N)CC1)N[C@H](C)c1ccccc1 ZINC000165239205 496653912 /nfs/dbraw/zinc/65/39/12/496653912.db2.gz WDWYXIXFKWTGPE-MRXNPFEDSA-N 0 3 363.527 3.119 20 30 FGEDHN Cn1cc(CN2CCC[C@H](Cc3nccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000182093343 496666805 /nfs/dbraw/zinc/66/68/05/496666805.db2.gz TUWXMSDKMUCSHN-GOSISDBHSA-N 0 3 374.492 3.147 20 30 FGEDHN CN(C)C1(CN(C)C(=O)c2occc2COc2cccc(C#N)c2)CCC1 ZINC000188076190 496673701 /nfs/dbraw/zinc/67/37/01/496673701.db2.gz BFLWTKYOHTVINJ-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN CC(C)OCCCNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000188244268 496722124 /nfs/dbraw/zinc/72/21/24/496722124.db2.gz JJQXPYLVGZIFNA-QGZVFWFLSA-N 0 3 357.498 3.263 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(F)cc1F ZINC000179263420 496722528 /nfs/dbraw/zinc/72/25/28/496722528.db2.gz XUBIZZSWDNBHOW-UHFFFAOYSA-N 0 3 371.431 3.359 20 30 FGEDHN CC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCCO1 ZINC000182320623 496729653 /nfs/dbraw/zinc/72/96/53/496729653.db2.gz WFFCZSYKCPWPPP-ZOBUZTSGSA-N 0 3 361.511 3.424 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc2c(c1)CCS2(=O)=O ZINC000578107948 505863117 /nfs/dbraw/zinc/86/31/17/505863117.db2.gz YWNIYUVJHHANSE-HXUWFJFHSA-N 0 3 366.486 3.445 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N(CC#N)c3ccccc3)cc2)CC1 ZINC000195114243 496825006 /nfs/dbraw/zinc/82/50/06/496825006.db2.gz PVYCTFUVGYUKTI-UHFFFAOYSA-N 0 3 362.477 3.387 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000264325438 496872322 /nfs/dbraw/zinc/87/23/22/496872322.db2.gz CENYYXAACQJPBS-UHFFFAOYSA-N 0 3 366.465 3.433 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)NCc2ccc3c(c2)CNC3)cc1OC ZINC000188677318 496873586 /nfs/dbraw/zinc/87/35/86/496873586.db2.gz MWFDPUVNAZMPAP-RMKNXTFCSA-N 0 3 364.445 3.193 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000572028963 505873366 /nfs/dbraw/zinc/87/33/66/505873366.db2.gz MBGWWMLYPISFIS-PZJWPPBQSA-N 0 3 371.912 3.420 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(F)cc2Br)CC1 ZINC000269370878 496931410 /nfs/dbraw/zinc/93/14/10/496931410.db2.gz CHWVVMHVJBNJBH-UHFFFAOYSA-N 0 3 357.198 3.011 20 30 FGEDHN C[C@H](CCc1cccc(F)c1)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248387753 496990413 /nfs/dbraw/zinc/99/04/13/496990413.db2.gz PUPYNBONIXOHEO-HZPDHXFCSA-N 0 3 353.445 3.019 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274275246 497057912 /nfs/dbraw/zinc/05/79/12/497057912.db2.gz SKFJZTHHZVJHPX-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3ccc(CC#N)cc3)c(C)c2)CC1 ZINC000270186930 497073558 /nfs/dbraw/zinc/07/35/58/497073558.db2.gz BGZBGEYCATZQIQ-UHFFFAOYSA-N 0 3 362.477 3.455 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000248725686 497088734 /nfs/dbraw/zinc/08/87/34/497088734.db2.gz CUGMYPOWZCKDOB-FOIQADDNSA-N 0 3 366.440 3.017 20 30 FGEDHN C[C@H](O)CN(C1CCCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248769918 497101978 /nfs/dbraw/zinc/10/19/78/497101978.db2.gz SJDJUWMDXUWQTC-JXFKEZNVSA-N 0 3 355.482 3.069 20 30 FGEDHN N#Cc1cccc(CNCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000236617370 497122405 /nfs/dbraw/zinc/12/24/05/497122405.db2.gz LYSPWDJSPQVRGD-UHFFFAOYSA-N 0 3 358.239 3.439 20 30 FGEDHN Cc1nc(C)c(CNCc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000278580049 497157067 /nfs/dbraw/zinc/15/70/67/497157067.db2.gz FSKOWXUYIUAFFJ-UHFFFAOYSA-N 0 3 352.467 3.222 20 30 FGEDHN Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)c(OC(C)C)c1 ZINC000581006677 505888920 /nfs/dbraw/zinc/88/89/20/505888920.db2.gz LABZIGVDUZRNOI-IBGZPJMESA-N 0 3 354.450 3.183 20 30 FGEDHN CN(C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C1(C#N)CCC1 ZINC000249324923 497192595 /nfs/dbraw/zinc/19/25/95/497192595.db2.gz RSXZQBRURVUXDQ-HZPDHXFCSA-N 0 3 365.399 3.202 20 30 FGEDHN COc1ccc(CN[C@@H]2COc3ccccc3C2)cc1OCCCC#N ZINC000237336372 497221912 /nfs/dbraw/zinc/22/19/12/497221912.db2.gz RFDHAYJVKDYFOC-SFHVURJKSA-N 0 3 352.434 3.471 20 30 FGEDHN COC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C#N)n1 ZINC000581022501 505892729 /nfs/dbraw/zinc/89/27/29/505892729.db2.gz XDTRKLQHODTJAN-RDJZCZTQSA-N 0 3 364.449 3.205 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237401333 497231005 /nfs/dbraw/zinc/23/10/05/497231005.db2.gz HLTNBJQJCQAKDR-HNAYVOBHSA-N 0 3 353.422 3.446 20 30 FGEDHN N#CC(CCN1CC[C@]2(CNC(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000278828383 497234831 /nfs/dbraw/zinc/23/48/31/497234831.db2.gz IDEVMBISGRVDIN-QFIPXVFZSA-N 0 3 359.473 3.098 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)CCc1nc(-c2ccoc2)no1)C(C)C ZINC000266032977 497237458 /nfs/dbraw/zinc/23/74/58/497237458.db2.gz RKDBWXWWWBMPAS-QGZVFWFLSA-N 0 3 372.469 3.077 20 30 FGEDHN COC[C@](C)(CCO)NCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193065245 497292508 /nfs/dbraw/zinc/29/25/08/497292508.db2.gz STIGYUBJJSRFDJ-NRFANRHFSA-N 0 3 352.478 3.263 20 30 FGEDHN CC(C)[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CCS1 ZINC000279357967 497417754 /nfs/dbraw/zinc/41/77/54/497417754.db2.gz GXQAAPNRXCQHKY-SFHVURJKSA-N 0 3 355.511 3.432 20 30 FGEDHN COc1cc([C@H](C)NCCC(=O)N(C)CCC#N)ccc1OCC(C)C ZINC000271712241 497425552 /nfs/dbraw/zinc/42/55/52/497425552.db2.gz WAXQDYVUOVQXGC-INIZCTEOSA-N 0 3 361.486 3.143 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]2CCCOC2)c1 ZINC000245498365 497430970 /nfs/dbraw/zinc/43/09/70/497430970.db2.gz VXXXFQWXXRJJKA-RBUKOAKNSA-N 0 3 357.498 3.297 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Cl)s1 ZINC000193638306 497433998 /nfs/dbraw/zinc/43/39/98/497433998.db2.gz CQQAMMHOIFIXCH-UHFFFAOYSA-N 0 3 361.898 3.406 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000575039907 505909746 /nfs/dbraw/zinc/90/97/46/505909746.db2.gz FPFLOXUDCAYQPY-BEFAXECRSA-N 0 3 372.852 3.455 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271911926 497486013 /nfs/dbraw/zinc/48/60/13/497486013.db2.gz BAACDEPPSDKUQF-BXUZGUMPSA-N 0 3 350.340 3.066 20 30 FGEDHN CC(=O)Nc1ccc(OC[C@H](O)CN(CCC(C)(C)C#N)C(C)C)cc1 ZINC000272023508 497515592 /nfs/dbraw/zinc/51/55/92/497515592.db2.gz NLICYHNYGPSXBT-GOSISDBHSA-N 0 3 361.486 3.035 20 30 FGEDHN C[C@H]1CN(CCC2CCN(C(=O)c3cccc(CC#N)c3)CC2)C[C@H](C)O1 ZINC000267370561 497536684 /nfs/dbraw/zinc/53/66/84/497536684.db2.gz FTIXLMQRRLARMR-ROUUACIJSA-N 0 3 369.509 3.104 20 30 FGEDHN Cc1cc(NC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)nn1CCC#N ZINC000272114774 497539784 /nfs/dbraw/zinc/53/97/84/497539784.db2.gz RCEUPJCSRPIBHH-MRXNPFEDSA-N 0 3 368.485 3.356 20 30 FGEDHN Cc1cc(NC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)nn1CCC#N ZINC000272114770 497540264 /nfs/dbraw/zinc/54/02/64/497540264.db2.gz RCEUPJCSRPIBHH-INIZCTEOSA-N 0 3 368.485 3.356 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccccc1 ZINC000272126389 497542930 /nfs/dbraw/zinc/54/29/30/497542930.db2.gz UANNPYRUDBXRAX-GOSISDBHSA-N 0 3 368.485 3.310 20 30 FGEDHN C[C@@H](CCc1ccc(F)cc1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190628099 497551445 /nfs/dbraw/zinc/55/14/45/497551445.db2.gz FYEWLAAWVBVJQY-KKSFZXQISA-N 0 3 365.452 3.409 20 30 FGEDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190632973 497553736 /nfs/dbraw/zinc/55/37/36/497553736.db2.gz QURVITLNODGZSI-IIBYNOLFSA-N 0 3 363.461 3.409 20 30 FGEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000581129054 505916272 /nfs/dbraw/zinc/91/62/72/505916272.db2.gz KFUSMTAJHJUVPU-IRXDYDNUSA-N 0 3 367.497 3.344 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272404554 497619650 /nfs/dbraw/zinc/61/96/50/497619650.db2.gz BGKFVBJLJCSTNW-HKUYNNGSSA-N 0 3 354.498 3.232 20 30 FGEDHN COCC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000280068077 497638245 /nfs/dbraw/zinc/63/82/45/497638245.db2.gz NBHPYDGYFPIJAA-ROUUACIJSA-N 0 3 351.406 3.036 20 30 FGEDHN N#CC(C(=O)c1cccc(NC(=O)C2CC2)c1)c1cnc2ccccc2n1 ZINC000190922331 497647261 /nfs/dbraw/zinc/64/72/61/497647261.db2.gz FJIGRFZMAMXIQT-MRXNPFEDSA-N 0 3 356.385 3.468 20 30 FGEDHN Cn1cc(CN[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1C#N ZINC000190994708 497676741 /nfs/dbraw/zinc/67/67/41/497676741.db2.gz ZBXIGRQCOPYWOH-QGZVFWFLSA-N 0 3 360.864 3.443 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc(CC#N)c2)cc1 ZINC000272621345 497681405 /nfs/dbraw/zinc/68/14/05/497681405.db2.gz IVURKBQABSICLN-OAQYLSRUSA-N 0 3 363.461 3.328 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)N2CCCC2)cc1 ZINC000272693902 497704605 /nfs/dbraw/zinc/70/46/05/497704605.db2.gz WQWJTZTVVSRBPL-IBGZPJMESA-N 0 3 354.498 3.467 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000272835813 497741375 /nfs/dbraw/zinc/74/13/75/497741375.db2.gz IVIBSUKKLBZJDE-OAHLLOKOSA-N 0 3 358.301 3.091 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246644016 497794011 /nfs/dbraw/zinc/79/40/11/497794011.db2.gz UQLPTWPQKPGDFR-ZWOKBUDYSA-N 0 3 363.461 3.105 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246673280 497798411 /nfs/dbraw/zinc/79/84/11/497798411.db2.gz QNIZKIUPEMOQDX-SJLPKXTDSA-N 0 3 353.422 3.068 20 30 FGEDHN C[C@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CCCN1Cc1ccccc1 ZINC000329568523 497831923 /nfs/dbraw/zinc/83/19/23/497831923.db2.gz LOAXXDLTJDAUCK-QEUVDIPISA-N 0 3 358.482 3.049 20 30 FGEDHN CC[C@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccccc1 ZINC000299565257 497849403 /nfs/dbraw/zinc/84/94/03/497849403.db2.gz JBNAFNPWTNLKBF-ZDUSSCGKSA-O 0 3 357.455 3.030 20 30 FGEDHN C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)N(C)C1CC1 ZINC000329679385 497865984 /nfs/dbraw/zinc/86/59/84/497865984.db2.gz QUUPXDHMKDVCAI-ATLSCFEFSA-N 0 3 357.502 3.053 20 30 FGEDHN C[C@@H]1CCCCCN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000329712194 497877073 /nfs/dbraw/zinc/87/70/73/497877073.db2.gz PSFYXZDXEHANCQ-QGZVFWFLSA-N 0 3 359.514 3.322 20 30 FGEDHN C[C@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)C1=CCN(C)CC1 ZINC000329713489 497877597 /nfs/dbraw/zinc/87/75/97/497877597.db2.gz ROOXCNKSPRNVCV-WMLDXEAASA-N 0 3 357.454 3.117 20 30 FGEDHN C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC)CC1 ZINC000572325820 505941520 /nfs/dbraw/zinc/94/15/20/505941520.db2.gz SHGIBOUHZATABN-INIZCTEOSA-N 0 3 373.476 3.275 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@H](CCO)C2)c2cccs2)CC1 ZINC000329769063 497894485 /nfs/dbraw/zinc/89/44/85/497894485.db2.gz HIMWJQNJSZVMCN-IAGOWNOFSA-N 0 3 365.543 3.139 20 30 FGEDHN Cc1nc(C)c(NC(=O)NCC2(N3CCSCC3)CCCC2)s1 ZINC000329787305 497901460 /nfs/dbraw/zinc/90/14/60/497901460.db2.gz YNNBCKADBQADPZ-UHFFFAOYSA-N 0 3 354.545 3.447 20 30 FGEDHN Cc1ncc2n1CC[C@H](C(=O)NCC1(N3CCSCC3)CCCC1)C2 ZINC000329806841 497907719 /nfs/dbraw/zinc/90/77/19/497907719.db2.gz BHMYCGFSAFQBOQ-INIZCTEOSA-N 0 3 362.543 3.072 20 30 FGEDHN CC1=C(Br)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280843064 497920853 /nfs/dbraw/zinc/92/08/53/497920853.db2.gz QOEZSMHUWFMPRC-HNNXBMFYSA-N 0 3 358.239 3.142 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc2cnn(C)c2c1)C(C)C ZINC000581284731 505951181 /nfs/dbraw/zinc/95/11/81/505951181.db2.gz YLCBFYLQTPUMNT-HXUWFJFHSA-N 0 3 369.513 3.071 20 30 FGEDHN O=C(Nc1cccc(-n2cccn2)c1)N1CCN(C2CCCCC2)CC1 ZINC000330070186 498010469 /nfs/dbraw/zinc/01/04/69/498010469.db2.gz HVYIYEYOXDPDNQ-UHFFFAOYSA-N 0 3 353.470 3.368 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN[C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000364562406 498025009 /nfs/dbraw/zinc/02/50/09/498025009.db2.gz GNFSIDWFPZOULF-JOCHJYFZSA-N 0 3 362.477 3.481 20 30 FGEDHN C#CCCN1CCC(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000364560660 498025434 /nfs/dbraw/zinc/02/54/34/498025434.db2.gz OGJHZFNZVRUWLO-UHFFFAOYSA-N 0 3 362.433 3.040 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@]2(C)CCCC[C@H]2O)C1 ZINC000330121086 498029090 /nfs/dbraw/zinc/02/90/90/498029090.db2.gz BICAUIKGFBKYBI-LYSIVYOWSA-N 0 3 359.514 3.267 20 30 FGEDHN CC(C(=O)N[C@@H]1CCc2c1cccc2Cl)S(=O)(=O)C1CCOCC1 ZINC000330131381 498032807 /nfs/dbraw/zinc/03/28/07/498032807.db2.gz FQMALOLIYOPICM-BDJLRTHQSA-N 0 3 371.886 3.266 20 30 FGEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000330174114 498049168 /nfs/dbraw/zinc/04/91/68/498049168.db2.gz HWFOTZPLYPGXRH-LJQANCHMSA-N 0 3 357.498 3.377 20 30 FGEDHN C=CCN1CCC(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301382415 498084904 /nfs/dbraw/zinc/08/49/04/498084904.db2.gz ARMHPKKWSVSZMN-UHFFFAOYSA-N 0 3 353.426 3.423 20 30 FGEDHN C#Cc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000289286669 498091516 /nfs/dbraw/zinc/09/15/16/498091516.db2.gz PFKCPUGQKAFPDQ-QZTJIDSGSA-N 0 3 362.473 3.207 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(-c3cccnc3)c2)CC1 ZINC000364711793 498106346 /nfs/dbraw/zinc/10/63/46/498106346.db2.gz CFULVWFGJOGHPW-UHFFFAOYSA-N 0 3 350.466 3.198 20 30 FGEDHN CCN1CCC(NC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000330471154 498138101 /nfs/dbraw/zinc/13/81/01/498138101.db2.gz NECPIZOVGOWJAM-UHFFFAOYSA-N 0 3 371.275 3.255 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000292797129 498149804 /nfs/dbraw/zinc/14/98/04/498149804.db2.gz BDVNNGIZDZKAQC-FQEVSTJZSA-N 0 3 367.424 3.081 20 30 FGEDHN CS[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1N1CCCC1 ZINC000281522445 498181111 /nfs/dbraw/zinc/18/11/11/498181111.db2.gz IMGWLZGQWPGPNP-ZWKOTPCHSA-N 0 3 357.523 3.140 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000285874424 498226519 /nfs/dbraw/zinc/22/65/19/498226519.db2.gz DBFAAHQQDIXXKB-KRWDZBQOSA-N 0 3 366.440 3.224 20 30 FGEDHN CCOC(=O)c1csc(CCNC2CC(C#N)(c3ccccc3)C2)n1 ZINC000364966917 498232528 /nfs/dbraw/zinc/23/25/28/498232528.db2.gz BNUOEZXCLMANDB-UHFFFAOYSA-N 0 3 355.463 3.076 20 30 FGEDHN C=C(C)CN1CCC(Nc2nn3c(nnc3C(F)(F)F)c(C)c2C)CC1 ZINC000301745509 498249720 /nfs/dbraw/zinc/24/97/20/498249720.db2.gz OHMWSIDBEJUZIX-UHFFFAOYSA-N 0 3 368.407 3.212 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@H](O)CC2)sc2c1CCCCC2 ZINC000293102242 498269521 /nfs/dbraw/zinc/26/95/21/498269521.db2.gz LCKHTHCDCVGBRU-AWEZNQCLSA-N 0 3 361.511 3.064 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCC[C@@H]1CCO ZINC000286075338 498284007 /nfs/dbraw/zinc/28/40/07/498284007.db2.gz JUYXUETZMRYBES-BZUAXINKSA-N 0 3 361.511 3.160 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccccc2F)c(OC)c1 ZINC000572631903 506016506 /nfs/dbraw/zinc/01/65/06/506016506.db2.gz LXIHAGKSGJTHIT-IMFGXOCKSA-N 0 3 371.452 3.448 20 30 FGEDHN N#Cc1cccc(NC(=O)CNC2(Cc3cccc(F)c3)CCOCC2)c1 ZINC000293155372 498289304 /nfs/dbraw/zinc/28/93/04/498289304.db2.gz VHIJQXPASXILNK-UHFFFAOYSA-N 0 3 367.424 3.017 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000331271916 498290200 /nfs/dbraw/zinc/29/02/00/498290200.db2.gz NPZMOCANBJWPQC-LBPRGKRZSA-N 0 3 370.375 3.262 20 30 FGEDHN CN1Cc2ccccc2[C@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790552 498308951 /nfs/dbraw/zinc/30/89/51/498308951.db2.gz BGQGSNFVZBNGIB-HSZRJFAPSA-N 0 3 360.505 3.299 20 30 FGEDHN COc1ccc([C@H]2[C@@H](CNC(=O)NCCCCC#N)CCCN2C)cc1 ZINC000360962718 498327716 /nfs/dbraw/zinc/32/77/16/498327716.db2.gz QFNUGRLUIQWICM-MJGOQNOKSA-N 0 3 358.486 3.071 20 30 FGEDHN CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1F ZINC000569792264 506018236 /nfs/dbraw/zinc/01/82/36/506018236.db2.gz WJPQHVNLTYNSMD-ZDUSSCGKSA-N 0 3 350.353 3.161 20 30 FGEDHN CC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)cc1F ZINC000569792264 506018240 /nfs/dbraw/zinc/01/82/40/506018240.db2.gz WJPQHVNLTYNSMD-ZDUSSCGKSA-N 0 3 350.353 3.161 20 30 FGEDHN Cc1ccc(C(C)(C)CNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000575862123 506020458 /nfs/dbraw/zinc/02/04/58/506020458.db2.gz UMOODKIYPUIPNH-UHFFFAOYSA-N 0 3 356.491 3.208 20 30 FGEDHN N#CCCN(CCCN1CCN(c2ccccc2)CC1)Cc1ccccn1 ZINC000286459226 498404324 /nfs/dbraw/zinc/40/43/24/498404324.db2.gz OOQUYEPSHCBSHO-UHFFFAOYSA-N 0 3 363.509 3.010 20 30 FGEDHN N#C[C@]1(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)CCc2ccccc2C1 ZINC000575933646 506035969 /nfs/dbraw/zinc/03/59/69/506035969.db2.gz RIRIJZGQESLFNK-GMAHTHKFSA-N 0 3 359.473 3.076 20 30 FGEDHN CN1CC[C@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@H]1c1cccs1 ZINC000362063328 498460525 /nfs/dbraw/zinc/46/05/25/498460525.db2.gz FOWZXAAMNJCHIF-UZLBHIALSA-N 0 3 369.490 3.002 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)C2(CCCCC2)C1 ZINC000572732629 506039828 /nfs/dbraw/zinc/03/98/28/506039828.db2.gz KJELNZIJRXIWFA-HXUWFJFHSA-N 0 3 358.526 3.105 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc2cc(C#N)ccc2n1 ZINC000302440518 498485294 /nfs/dbraw/zinc/48/52/94/498485294.db2.gz MWNDNGUNMZFDRM-QHCPKHFHSA-N 0 3 372.472 3.180 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1C#N ZINC000302447773 498486843 /nfs/dbraw/zinc/48/68/43/498486843.db2.gz ONKMAGMBUVDEHX-HXUWFJFHSA-N 0 3 355.869 3.285 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)N(C)C[C@@H]3C)sc2C1 ZINC000331920122 498500625 /nfs/dbraw/zinc/50/06/25/498500625.db2.gz IMEBKEAUMOOLJD-KFWWJZLASA-N 0 3 374.554 3.098 20 30 FGEDHN CO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)C1 ZINC000282419162 498503255 /nfs/dbraw/zinc/50/32/55/498503255.db2.gz QROAGBXYSSFXHE-KBPBESRZSA-N 0 3 361.511 3.326 20 30 FGEDHN CN(C(=O)/C=C/c1cccc(C#N)c1)C1CCN(CCc2ccncc2)CC1 ZINC000363036619 498615982 /nfs/dbraw/zinc/61/59/82/498615982.db2.gz MOLWFPSKVDAEKW-AATRIKPKSA-N 0 3 374.488 3.132 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000572846677 506066480 /nfs/dbraw/zinc/06/64/80/506066480.db2.gz CELUPKOAIDKAOF-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000579004467 506071953 /nfs/dbraw/zinc/07/19/53/506071953.db2.gz DFQOZOHPDFXQPD-APWZRJJASA-N 0 3 363.465 3.470 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000287238154 498684435 /nfs/dbraw/zinc/68/44/35/498684435.db2.gz YPRMZHPWFMVKHW-CABCVRRESA-N 0 3 357.903 3.293 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CNC(C)(C)C(C)(C)O)c1C#N ZINC000332427396 498684997 /nfs/dbraw/zinc/68/49/97/498684997.db2.gz UNURTCSBDGLWQX-UHFFFAOYSA-N 0 3 360.502 3.169 20 30 FGEDHN CN1CCCN(c2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)CC1 ZINC000294453151 498696912 /nfs/dbraw/zinc/69/69/12/498696912.db2.gz MGUKQNYIOCNDJP-OAQYLSRUSA-N 0 3 352.482 3.241 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)CC1 ZINC000287449903 498759538 /nfs/dbraw/zinc/75/95/38/498759538.db2.gz DIUBHGRYKNCRQI-UHFFFAOYSA-N 0 3 362.380 3.054 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1 ZINC000287453977 498762675 /nfs/dbraw/zinc/76/26/75/498762675.db2.gz XDHLHEFJSNQAFT-AWEZNQCLSA-N 0 3 371.462 3.429 20 30 FGEDHN C=CCC[C@@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccco1 ZINC000287586656 498805589 /nfs/dbraw/zinc/80/55/89/498805589.db2.gz RHJOJTASDUBOKN-MRXNPFEDSA-N 0 3 354.516 3.469 20 30 FGEDHN C=CCC[C@@H](CO)NCc1cc(Br)c2c(c1)OCCCO2 ZINC000321026746 498810580 /nfs/dbraw/zinc/81/05/80/498810580.db2.gz PLJSVARDYDFQKM-ZDUSSCGKSA-N 0 3 356.260 3.027 20 30 FGEDHN N#C[C@@H]1N(C(=O)c2cccc(CN3CCCC3)c2)CCC[C@@]12CCCCO2 ZINC000366191435 498816289 /nfs/dbraw/zinc/81/62/89/498816289.db2.gz UOWJFJDAYBTIQA-UNMCSNQZSA-N 0 3 367.493 3.350 20 30 FGEDHN C=CCN1CC[C@H](N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1=O ZINC000576196948 506098707 /nfs/dbraw/zinc/09/87/07/506098707.db2.gz OIDCTNYHVJLYPQ-SFTDATJTSA-N 0 3 350.462 3.356 20 30 FGEDHN C=CCN(CCC#N)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000573077852 506113251 /nfs/dbraw/zinc/11/32/51/506113251.db2.gz RXTWBFIGMWAZIX-GOSISDBHSA-N 0 3 365.399 3.369 20 30 FGEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@H](C2CCOCC2)C1 ZINC000328819872 498949369 /nfs/dbraw/zinc/94/93/69/498949369.db2.gz HLBPKRIWKGIBRN-ZBFHGGJFSA-N 0 3 351.491 3.327 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000299082724 498960807 /nfs/dbraw/zinc/96/08/07/498960807.db2.gz RWQOHYIJOOQXNH-GOSISDBHSA-N 0 3 365.481 3.135 20 30 FGEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@H](C2CCOCC2)C1 ZINC000328853972 498961980 /nfs/dbraw/zinc/96/19/80/498961980.db2.gz SRWBNQHYAPJTEH-ZBFHGGJFSA-N 0 3 360.454 3.183 20 30 FGEDHN C=C(C)[C@H](CC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2)OCC ZINC000363739508 498968175 /nfs/dbraw/zinc/96/81/75/498968175.db2.gz OUGAMUULISELHV-IBGZPJMESA-N 0 3 360.498 3.125 20 30 FGEDHN CN1CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)[C@H]1c1ccccc1 ZINC000328900181 498979472 /nfs/dbraw/zinc/97/94/72/498979472.db2.gz ZNVWYZJNCVEGBI-OKZBNKHCSA-N 0 3 373.522 3.090 20 30 FGEDHN COc1cc(CNC[C@H](O)COc2cc(C)ccc2Cl)ccc1C#N ZINC000579223729 506123180 /nfs/dbraw/zinc/12/31/80/506123180.db2.gz PEYAININAZHYIM-INIZCTEOSA-N 0 3 360.841 3.058 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC000579223081 506123516 /nfs/dbraw/zinc/12/35/16/506123516.db2.gz MRYIUPNRRZHKNC-IIBYNOLFSA-N 0 3 354.425 3.299 20 30 FGEDHN C=CCN(C(=O)N[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363808353 499004262 /nfs/dbraw/zinc/00/42/62/499004262.db2.gz AMTWXOYEAFNXHO-DFQSSKMNSA-N 0 3 357.498 3.026 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000366699238 499038073 /nfs/dbraw/zinc/03/80/73/499038073.db2.gz HZDBOTZLVNLSCN-MVJTYMMSSA-N 0 3 363.527 3.021 20 30 FGEDHN C[C@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000329093974 499039166 /nfs/dbraw/zinc/03/91/66/499039166.db2.gz BDFLHWRQDIVJOB-AWEZNQCLSA-N 0 3 361.442 3.472 20 30 FGEDHN CCn1ncc(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1C(F)(F)F ZINC000329261200 499086409 /nfs/dbraw/zinc/08/64/09/499086409.db2.gz ZDHIZRVDQTVZSD-NWDGAFQWSA-N 0 3 359.396 3.026 20 30 FGEDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1CCCC12CCCCC2 ZINC000329292918 499092177 /nfs/dbraw/zinc/09/21/77/499092177.db2.gz JAWLQUCPHNNRNU-FQEVSTJZSA-N 0 3 371.525 3.466 20 30 FGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000329350548 499106335 /nfs/dbraw/zinc/10/63/35/499106335.db2.gz DHKIWZRXYMVYMV-MAUKXSAKSA-N 0 3 371.481 3.149 20 30 FGEDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCn2cncc2C1 ZINC000329443070 499122428 /nfs/dbraw/zinc/12/24/28/499122428.db2.gz LJPBOLWYKFDVID-HOTGVXAUSA-N 0 3 358.511 3.376 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000329447731 499122659 /nfs/dbraw/zinc/12/26/59/499122659.db2.gz LBOPYQWNKVRHKU-VQTJNVASSA-N 0 3 371.525 3.299 20 30 FGEDHN COC[C@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000364148020 499123956 /nfs/dbraw/zinc/12/39/56/499123956.db2.gz IENXBSMKMIUYPQ-IRXDYDNUSA-N 0 3 361.461 3.209 20 30 FGEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2nn(C)c3ccccc3c2=O)C1 ZINC000329501645 499128395 /nfs/dbraw/zinc/12/83/95/499128395.db2.gz YRGGQYJPAZLTSV-HNNXBMFYSA-N 0 3 370.497 3.139 20 30 FGEDHN C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1=CCN(C)CC1 ZINC000329510299 499128686 /nfs/dbraw/zinc/12/86/86/499128686.db2.gz MQAKIPAYWJTZBI-ZOCIIQOWSA-N 0 3 361.461 3.200 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCSC[C@H]2c2cccs2)CC1 ZINC000369859303 499140378 /nfs/dbraw/zinc/14/03/78/499140378.db2.gz AREKBAZDRMWSKM-HNNXBMFYSA-N 0 3 351.541 3.198 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226947 499164835 /nfs/dbraw/zinc/16/48/35/499164835.db2.gz RUZYPTKBAAJYJN-AEFFLSMTSA-N 0 3 364.449 3.223 20 30 FGEDHN CN1CCC2(CCCN2C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000372840167 499182978 /nfs/dbraw/zinc/18/29/78/499182978.db2.gz VNKJNHAIZVXLJB-UHFFFAOYSA-N 0 3 355.482 3.194 20 30 FGEDHN C=C(C)COc1cc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1OC ZINC000367546901 499211247 /nfs/dbraw/zinc/21/12/47/499211247.db2.gz ODIRYKIJYHEIHH-ROUUACIJSA-N 0 3 358.482 3.141 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000367693910 499225354 /nfs/dbraw/zinc/22/53/54/499225354.db2.gz NCLQNODMLVHBBQ-HLLBOEOZSA-N 0 3 358.511 3.496 20 30 FGEDHN Cc1nc2ccccn2c(=O)c1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367701388 499226440 /nfs/dbraw/zinc/22/64/40/499226440.db2.gz GJWAQSJYEFCBJM-UHFFFAOYSA-N 0 3 370.456 3.206 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(C#N)c1C ZINC000368591291 499311076 /nfs/dbraw/zinc/31/10/76/499311076.db2.gz GSLFVJPJDAVUNS-GDIGMMSISA-N 0 3 366.465 3.130 20 30 FGEDHN Cc1nnc([C@H]2CC23CCN(Cc2ccc(N(C)CCC#N)cc2)CC3)o1 ZINC000371334399 499311993 /nfs/dbraw/zinc/31/19/93/499311993.db2.gz XWRMZGAGQPXDIC-LJQANCHMSA-N 0 3 365.481 3.498 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NC3CCN(Cc4cccs4)CC3)CC2)cc1 ZINC000368721220 499325366 /nfs/dbraw/zinc/32/53/66/499325366.db2.gz FKGWGJCAVYVHQM-UHFFFAOYSA-N 0 3 365.502 3.432 20 30 FGEDHN CN(C(=O)[C@@H]1CC12CCN(CCCOc1ccc(C#N)cc1)CC2)C1CC1 ZINC000371544118 499340092 /nfs/dbraw/zinc/34/00/92/499340092.db2.gz PZIYRIBIUFNORB-FQEVSTJZSA-N 0 3 367.493 3.050 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000369133478 499368951 /nfs/dbraw/zinc/36/89/51/499368951.db2.gz DACDPGMKSVOKSZ-FXAWDEMLSA-N 0 3 363.392 3.060 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000369399783 499399789 /nfs/dbraw/zinc/39/97/89/499399789.db2.gz DHMRNZHBVSBHTH-HXUWFJFHSA-N 0 3 357.498 3.104 20 30 FGEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000372291130 499417207 /nfs/dbraw/zinc/41/72/07/499417207.db2.gz GKKIWZIGRIFLBV-UYWIDEMCSA-N 0 3 356.510 3.352 20 30 FGEDHN N#Cc1cccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373418294 499468649 /nfs/dbraw/zinc/46/86/49/499468649.db2.gz PNLQARMZNJYZQH-UHFFFAOYSA-N 0 3 351.372 3.093 20 30 FGEDHN CCCN1CCN(C2CCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000378228187 499492244 /nfs/dbraw/zinc/49/22/44/499492244.db2.gz PFYWYUOOHAZEQI-UHFFFAOYSA-N 0 3 359.945 3.184 20 30 FGEDHN COC(=O)c1cccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000375637089 499540009 /nfs/dbraw/zinc/54/00/09/499540009.db2.gz BFSJLWXEKXYIIA-UHFFFAOYSA-N 0 3 360.417 3.035 20 30 FGEDHN Cc1ccc(OC2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)nc1 ZINC000375682904 499544962 /nfs/dbraw/zinc/54/49/62/499544962.db2.gz MALVSYNUXXKFIX-LJQANCHMSA-N 0 3 374.444 3.014 20 30 FGEDHN C=CCc1cc(CN2CCC(c3nnc4n3CCC4)CC2)cc(OC)c1O ZINC000375828276 499559846 /nfs/dbraw/zinc/55/98/46/499559846.db2.gz DHAZZPVDHIMLME-UHFFFAOYSA-N 0 3 368.481 3.047 20 30 FGEDHN CC(C)[C@H](CNC(=O)Nc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000582180141 506152937 /nfs/dbraw/zinc/15/29/37/506152937.db2.gz XVJXOORKTNVGTH-IBGZPJMESA-N 0 3 363.465 3.158 20 30 FGEDHN Cc1ccc(N2CCC[C@@H](NCc3ccc(F)c(C#N)c3Cl)C2)nn1 ZINC000376983255 499651735 /nfs/dbraw/zinc/65/17/35/499651735.db2.gz RHJPZHZNLHXIQX-CQSZACIVSA-N 0 3 359.836 3.208 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(O)(c3ccccc3C)CC2)CC1 ZINC000377317524 499679409 /nfs/dbraw/zinc/67/94/09/499679409.db2.gz PXDMWWVTWSZYNX-UHFFFAOYSA-N 0 3 371.525 3.029 20 30 FGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411641890 499772085 /nfs/dbraw/zinc/77/20/85/499772085.db2.gz MLVXFMBGDGARRL-CYBMUJFWSA-N 0 3 368.865 3.015 20 30 FGEDHN CC(C)(C)Oc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1C#N ZINC000414365736 499781487 /nfs/dbraw/zinc/78/14/87/499781487.db2.gz PFJDBYBFCYDWAS-LLVKDONJSA-N 0 3 355.316 3.113 20 30 FGEDHN CCCN(CCN1CCCCC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000411729630 499783823 /nfs/dbraw/zinc/78/38/23/499783823.db2.gz WRHYKXDQGPCAHO-INIZCTEOSA-N 0 3 360.502 3.293 20 30 FGEDHN COC1([C@@H](C)NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1 ZINC000412027517 499814353 /nfs/dbraw/zinc/81/43/53/499814353.db2.gz VQSMSXIXROBKDM-CYBMUJFWSA-N 0 3 361.511 3.374 20 30 FGEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000573290509 506162224 /nfs/dbraw/zinc/16/22/24/506162224.db2.gz CDCWTHPPLLBCIT-HNNXBMFYSA-N 0 3 363.508 3.359 20 30 FGEDHN CCO[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000413256381 499933471 /nfs/dbraw/zinc/93/34/71/499933471.db2.gz AQZJJPSDUQHFTA-OAQYLSRUSA-N 0 3 365.477 3.226 20 30 FGEDHN N#C[C@H](NC(=O)CCN1CCc2ccccc2C1)c1ccccc1Cl ZINC000416158816 499963091 /nfs/dbraw/zinc/96/30/91/499963091.db2.gz LLRVZKZEUQCBQP-IBGZPJMESA-N 0 3 353.853 3.469 20 30 FGEDHN COc1cc(CN(C)C2(CO)CCC2)ccc1OCc1cccc(C#N)c1 ZINC000429224965 500026552 /nfs/dbraw/zinc/02/65/52/500026552.db2.gz CIEPHQWGIYYHEB-UHFFFAOYSA-N 0 3 366.461 3.493 20 30 FGEDHN C=CCN1CC[C@@H](N[C@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000429271614 500038741 /nfs/dbraw/zinc/03/87/41/500038741.db2.gz IEZHPIYPNOSDPD-CVEARBPZSA-N 0 3 363.299 3.449 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000425397861 500093985 /nfs/dbraw/zinc/09/39/85/500093985.db2.gz BKXGTDQBFMRDMR-UAGQMJEPSA-N 0 3 351.516 3.021 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000421705867 500123378 /nfs/dbraw/zinc/12/33/78/500123378.db2.gz SNMKHRRNVJLUMW-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414040374 500134293 /nfs/dbraw/zinc/13/42/93/500134293.db2.gz LYWQQGBSIGRNKU-PKOBYXMFSA-N 0 3 351.425 3.293 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425535448 500136414 /nfs/dbraw/zinc/13/64/14/500136414.db2.gz SXCRCIMURADMTR-IPMKNSEASA-N 0 3 354.498 3.279 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C12CCCCC2 ZINC000429790403 500145878 /nfs/dbraw/zinc/14/58/78/500145878.db2.gz TYGDAVJOSYDIQA-FGTMMUONSA-N 0 3 361.530 3.435 20 30 FGEDHN O=C(CN1CC[C@@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426461816 500274811 /nfs/dbraw/zinc/27/48/11/500274811.db2.gz PNGAXBXJGSLVTG-DOTOQJQBSA-N 0 3 350.384 3.048 20 30 FGEDHN CCc1ccccc1[C@@H](N)CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000418661203 500303629 /nfs/dbraw/zinc/30/36/29/500303629.db2.gz ZXRLNMPGNAJYIX-NRFANRHFSA-N 0 3 362.477 3.495 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000426830438 500326568 /nfs/dbraw/zinc/32/65/68/500326568.db2.gz YBJATFIMFMWUNY-HDICACEKSA-N 0 3 355.482 3.454 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2NCCCC2(C)C)cc1 ZINC000423046207 500335226 /nfs/dbraw/zinc/33/52/26/500335226.db2.gz FDDKXCMVOLMSPR-SFHVURJKSA-N 0 3 355.482 3.218 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419650028 500387857 /nfs/dbraw/zinc/38/78/57/500387857.db2.gz TVXIVXIHMSBLOS-MGPUTAFESA-N 0 3 354.498 3.307 20 30 FGEDHN C=CCCCS(=O)(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000427778735 500431374 /nfs/dbraw/zinc/43/13/74/500431374.db2.gz MOLSZZDJIXQVGZ-UHFFFAOYSA-N 0 3 352.500 3.259 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000424060085 500445407 /nfs/dbraw/zinc/44/54/07/500445407.db2.gz GVEIJLDYKGANDQ-VIFPVBQESA-N 0 3 358.345 3.155 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000427942328 500447951 /nfs/dbraw/zinc/44/79/51/500447951.db2.gz UJYUKPHCRWTINB-KNQAVFIVSA-N 0 3 369.553 3.363 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000427942330 500448054 /nfs/dbraw/zinc/44/80/54/500448054.db2.gz UJYUKPHCRWTINB-UGKGYDQZSA-N 0 3 369.553 3.363 20 30 FGEDHN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424107566 500454868 /nfs/dbraw/zinc/45/48/68/500454868.db2.gz ZELXMCMKOOXNSF-KRWDZBQOSA-N 0 3 356.470 3.017 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000424146290 500459908 /nfs/dbraw/zinc/45/99/08/500459908.db2.gz WHDCHTGJCYNZDB-ACRUOGEOSA-N 0 3 350.462 3.225 20 30 FGEDHN C=CCC1(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CCOCC1 ZINC000424700658 500545893 /nfs/dbraw/zinc/54/58/93/500545893.db2.gz SHQVWPOHWUNDJV-IBGZPJMESA-N 0 3 356.510 3.482 20 30 FGEDHN Cc1cc(C)cc(OCCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428777423 500556166 /nfs/dbraw/zinc/55/61/66/500556166.db2.gz FMSNZMIPDJDWCO-IBGZPJMESA-N 0 3 351.450 3.492 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)NC(=O)NC1CCCCC1)c1ccccc1 ZINC000433019959 500607726 /nfs/dbraw/zinc/60/77/26/500607726.db2.gz LTWDNCGOUSNIDI-GOSISDBHSA-N 0 3 356.470 3.170 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000433224695 500650439 /nfs/dbraw/zinc/65/04/39/500650439.db2.gz CBZCMCNDKDVLAB-VXKWHMMOSA-N 0 3 372.472 3.168 20 30 FGEDHN C=CCCCN[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000447793782 500662880 /nfs/dbraw/zinc/66/28/80/500662880.db2.gz FRISDRJKPMMJSH-FQEVSTJZSA-N 0 3 352.434 3.329 20 30 FGEDHN Cc1cc(C)n(-c2ccc(CNC(=O)C(C#N)CCc3ccccc3)cn2)n1 ZINC000433295195 500664042 /nfs/dbraw/zinc/66/40/42/500664042.db2.gz CMKDXYIOIHWFIS-FQEVSTJZSA-N 0 3 373.460 3.273 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 ZINC000433319674 500671914 /nfs/dbraw/zinc/67/19/14/500671914.db2.gz PIPAFEIMWWXQHS-GOSISDBHSA-N 0 3 351.450 3.338 20 30 FGEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCCC[NH+]1CCCCC1 ZINC000443064731 500672760 /nfs/dbraw/zinc/67/27/60/500672760.db2.gz GXKHSPLCQSRPDJ-UHFFFAOYSA-N 0 3 369.918 3.146 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000437638276 500673309 /nfs/dbraw/zinc/67/33/09/500673309.db2.gz WCCHDFUEJTUSBH-ZCNNSNEGSA-N 0 3 359.514 3.350 20 30 FGEDHN CCOC(=O)c1nn(-c2ccccc2)cc1CNCC1CCC(C#N)CC1 ZINC000443067594 500673273 /nfs/dbraw/zinc/67/32/73/500673273.db2.gz TYRXNVNSTJIMNH-UHFFFAOYSA-N 0 3 366.465 3.469 20 30 FGEDHN COc1cc(OC)c(OC)cc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433344987 500677688 /nfs/dbraw/zinc/67/76/88/500677688.db2.gz VQXMEYZXDSLIOR-INIZCTEOSA-N 0 3 368.433 3.101 20 30 FGEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000433357085 500679906 /nfs/dbraw/zinc/67/99/06/500679906.db2.gz WJWIBZFUMVDNDS-AZUAARDMSA-N 0 3 361.445 3.023 20 30 FGEDHN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000447926504 500691204 /nfs/dbraw/zinc/69/12/04/500691204.db2.gz MJNBYGRTOKDWKA-KKSFZXQISA-N 0 3 354.425 3.239 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000437791535 500696529 /nfs/dbraw/zinc/69/65/29/500696529.db2.gz FIDYHDJDIBQSQK-NJYVYQBISA-N 0 3 373.541 3.423 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000437992182 500726411 /nfs/dbraw/zinc/72/64/11/500726411.db2.gz JJNANAKUXQFPNM-TYPHKJRUSA-N 0 3 371.525 3.274 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000438052855 500731825 /nfs/dbraw/zinc/73/18/25/500731825.db2.gz JSIYDSDUZUFGBB-HKBOAZHASA-N 0 3 371.525 3.412 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c(C#N)nnc2ccccc21 ZINC000433773862 500742067 /nfs/dbraw/zinc/74/20/67/500742067.db2.gz KZWIBHGWBFVLAP-JXFKEZNVSA-N 0 3 358.449 3.026 20 30 FGEDHN CCc1cc(CCCN2CCCN(Cc3ccc(C#N)cc3)CC2)on1 ZINC000570728514 506215662 /nfs/dbraw/zinc/21/56/62/506215662.db2.gz SUWRVMYGKVKKAR-UHFFFAOYSA-N 0 3 352.482 3.249 20 30 FGEDHN COc1ccc([C@@H](CNCc2ccc(C#N)c(C)c2)N(C)C)cc1OC ZINC000443965695 500785174 /nfs/dbraw/zinc/78/51/74/500785174.db2.gz XHXUAARIGGDDFC-LJQANCHMSA-N 0 3 353.466 3.276 20 30 FGEDHN N#CC(C(=O)c1ccnn1CC(F)F)c1nc2ccccc2n1C(F)F ZINC000434620380 500867476 /nfs/dbraw/zinc/86/74/76/500867476.db2.gz JLIUUXJOBWOPEI-SECBINFHSA-N 0 3 365.290 3.383 20 30 FGEDHN N#CC(C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1cnc2ccccc2n1 ZINC000434649548 500873363 /nfs/dbraw/zinc/87/33/63/500873363.db2.gz ZZQGKJLNYJKQQA-IAGOWNOFSA-N 0 3 359.385 3.288 20 30 FGEDHN COCCN(CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000434904907 500910255 /nfs/dbraw/zinc/91/02/55/500910255.db2.gz PUWRICHZHDLLRI-UHFFFAOYSA-N 0 3 373.403 3.314 20 30 FGEDHN COC(=O)COC[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000449233060 500953594 /nfs/dbraw/zinc/95/35/94/500953594.db2.gz KCUQVVNSTUSZRH-CVEARBPZSA-N 0 3 352.434 3.454 20 30 FGEDHN CS[C@H]1CN(c2ccc(Br)cc2C#N)C[C@@H]1N1CCCC1 ZINC000445608804 501010459 /nfs/dbraw/zinc/01/04/59/501010459.db2.gz DXEMHNAKJAOXFP-HOTGVXAUSA-N 0 3 366.328 3.337 20 30 FGEDHN C=C(C)CCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449474324 501011776 /nfs/dbraw/zinc/01/17/76/501011776.db2.gz JBYOAUCZGPCRLW-LBPRGKRZSA-N 0 3 355.276 3.018 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000449524145 501024602 /nfs/dbraw/zinc/02/46/02/501024602.db2.gz ZBMRIANBFIFUTJ-UXHICEINSA-N 0 3 352.434 3.381 20 30 FGEDHN Cc1c(Br)cccc1C[C@@H](CO)CNCc1ccc(C#N)o1 ZINC000449679344 501059899 /nfs/dbraw/zinc/05/98/99/501059899.db2.gz DLDWPUYMJIWHNF-CYBMUJFWSA-N 0 3 363.255 3.163 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CNC2(CCO)CCCCC2)c1 ZINC000440900873 501061471 /nfs/dbraw/zinc/06/14/71/501061471.db2.gz FZYDLKRPZCINNJ-UHFFFAOYSA-N 0 3 357.498 3.225 20 30 FGEDHN CCN1CCN(c2ccccc2CNCc2ccc(C#N)c(F)c2)CC1 ZINC000449732882 501071457 /nfs/dbraw/zinc/07/14/57/501071457.db2.gz DZKKCZUQOUDAJZ-UHFFFAOYSA-N 0 3 352.457 3.129 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)ccc2OC(F)(F)F)CC1 ZINC000449845317 501105055 /nfs/dbraw/zinc/10/50/55/501105055.db2.gz OUXGYCFHFVNXBR-UHFFFAOYSA-N 0 3 372.387 3.364 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000450527098 501145148 /nfs/dbraw/zinc/14/51/48/501145148.db2.gz JCVIUHFONXVFMA-SFHVURJKSA-N 0 3 369.425 3.363 20 30 FGEDHN Cc1cccc2c1CCC[C@H]2NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596071020 506239893 /nfs/dbraw/zinc/23/98/93/506239893.db2.gz WAFRQARSEBNFNZ-HXUWFJFHSA-N 0 3 354.475 3.308 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@@H]1CCOC1 ZINC000450749124 501200405 /nfs/dbraw/zinc/20/04/05/501200405.db2.gz YKNARBLMFHFTGH-INIZCTEOSA-N 0 3 350.532 3.011 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCO[C@H](C)C1 ZINC000447113927 501206072 /nfs/dbraw/zinc/20/60/72/501206072.db2.gz NRBPVXBOXGWRIO-SJORKVTESA-N 0 3 364.559 3.400 20 30 FGEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CC#N ZINC000451123713 501247139 /nfs/dbraw/zinc/24/71/39/501247139.db2.gz WDFRUWAPYBJHKO-UHFFFAOYSA-N 0 3 365.543 3.100 20 30 FGEDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000451227218 501253512 /nfs/dbraw/zinc/25/35/12/501253512.db2.gz CTNQDSWFENYSEI-UHOSZYNNSA-N 0 3 371.481 3.033 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000451293848 501258852 /nfs/dbraw/zinc/25/88/52/501258852.db2.gz FWXOUEAVUYUUIL-HOCLYGCPSA-N 0 3 374.428 3.433 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000455272982 501260353 /nfs/dbraw/zinc/26/03/53/501260353.db2.gz LLIPPRYNTJUQGU-YSIASYRMSA-N 0 3 372.513 3.078 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451418351 501288334 /nfs/dbraw/zinc/28/83/34/501288334.db2.gz MKKWRRHXMUNXIU-NJDAHSKKSA-N 0 3 369.509 3.176 20 30 FGEDHN C[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)N(C)C ZINC000455399317 501292689 /nfs/dbraw/zinc/29/26/89/501292689.db2.gz JGIUURNVXIJBGD-AWEZNQCLSA-N 0 3 368.485 3.113 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)c2cc(C)c(C#N)cn2)N(C)C)cc1 ZINC000457815117 501315611 /nfs/dbraw/zinc/31/56/11/501315611.db2.gz LOEZADRPUPFUNH-SFHVURJKSA-N 0 3 354.479 3.016 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000453361195 501320422 /nfs/dbraw/zinc/32/04/22/501320422.db2.gz AOJLTXOKBOWGRM-IIBYNOLFSA-N 0 3 353.441 3.249 20 30 FGEDHN C=C(C)Cn1c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453465763 501339617 /nfs/dbraw/zinc/33/96/17/501339617.db2.gz MYXLQWLALZKDKL-LXGFNABISA-N 0 3 373.545 3.046 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)NCC(C)(C)CC#N)CC2)cc1 ZINC000458054130 501363670 /nfs/dbraw/zinc/36/36/70/501363670.db2.gz HRUTZMBPSPCOFI-UHFFFAOYSA-N 0 3 372.513 3.146 20 30 FGEDHN C[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)N1CCCC[C@@H]1C ZINC000598964902 506250054 /nfs/dbraw/zinc/25/00/54/506250054.db2.gz SNUXIMMBGIMDIN-DLBZAZTESA-N 0 3 354.498 3.083 20 30 FGEDHN CC(C)(CN1CCCC1)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000452084995 501431993 /nfs/dbraw/zinc/43/19/93/501431993.db2.gz JUGFQTIIRYASLY-UHFFFAOYSA-N 0 3 362.905 3.051 20 30 FGEDHN CN(CCCNC(=O)NCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000454206997 501482281 /nfs/dbraw/zinc/48/22/81/501482281.db2.gz GGICMMXIVREJBG-UHFFFAOYSA-N 0 3 354.429 3.019 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCN(C)c3ccccc32)CC1 ZINC000454468387 501552636 /nfs/dbraw/zinc/55/26/36/501552636.db2.gz SBSGDUNNJXRATB-IBGZPJMESA-N 0 3 356.514 3.297 20 30 FGEDHN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456642084 501564687 /nfs/dbraw/zinc/56/46/87/501564687.db2.gz HIDYKHOTGYSJHP-DOTOQJQBSA-N 0 3 367.415 3.102 20 30 FGEDHN CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459019084 501577888 /nfs/dbraw/zinc/57/78/88/501577888.db2.gz UFJZDVMDDMRBCA-YSIASYRMSA-N 0 3 354.498 3.375 20 30 FGEDHN C=C[C@](C)(O)CC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456795173 501600308 /nfs/dbraw/zinc/60/03/08/501600308.db2.gz SOKQVURPTVSEGS-SFHVURJKSA-N 0 3 352.862 3.079 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000453014382 501601758 /nfs/dbraw/zinc/60/17/58/501601758.db2.gz KKKDBXKEFSKDDS-CTNGQTDRSA-N 0 3 357.494 3.046 20 30 FGEDHN C=CCC(C)(C)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453025657 501603942 /nfs/dbraw/zinc/60/39/42/501603942.db2.gz PQSGWBKVDVKCQL-UHFFFAOYSA-N 0 3 357.498 3.328 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000454953403 501660850 /nfs/dbraw/zinc/66/08/50/501660850.db2.gz CMPWBOYRWZURID-YWZLYKJASA-N 0 3 366.440 3.160 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1C#N ZINC000459572286 501678951 /nfs/dbraw/zinc/67/89/51/501678951.db2.gz UCHAKUQKIOHIJF-CJNGLKHVSA-N 0 3 357.483 3.445 20 30 FGEDHN Cc1cc(=NC(=O)NC(C)(Cc2ccccc2)C2CC2)[nH]n1CCC#N ZINC000455106252 501688952 /nfs/dbraw/zinc/68/89/52/501688952.db2.gz ARDAWBLBFWYMFP-FQEVSTJZSA-N 0 3 351.454 3.060 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(C(C)(C)C)C2)cc1 ZINC000455260594 501717645 /nfs/dbraw/zinc/71/76/45/501717645.db2.gz UYVSEZSFBXPSAO-OPFPJEHXSA-N 0 3 363.483 3.319 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1)C(C)C ZINC000460126251 501732393 /nfs/dbraw/zinc/73/23/93/501732393.db2.gz VIRKWMSQHZWTDF-QRVBRYPASA-N 0 3 363.546 3.284 20 30 FGEDHN CCCCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC ZINC000460166247 501745619 /nfs/dbraw/zinc/74/56/19/501745619.db2.gz FZZJTJIXVMOVKX-UHFFFAOYSA-N 0 3 366.513 3.225 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000470746197 501789779 /nfs/dbraw/zinc/78/97/79/501789779.db2.gz SJIACAUHEXHKDS-MRXNPFEDSA-N 0 3 373.334 3.456 20 30 FGEDHN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC)CC1 ZINC000460366861 501806178 /nfs/dbraw/zinc/80/61/78/501806178.db2.gz BEQREPVXBIIYJW-UHFFFAOYSA-N 0 3 357.477 3.116 20 30 FGEDHN Cc1cccc(C)c1OCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470846868 501828213 /nfs/dbraw/zinc/82/82/13/501828213.db2.gz JDOHHROCNCDFNO-HXUWFJFHSA-N 0 3 361.445 3.443 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000463819453 501829545 /nfs/dbraw/zinc/82/95/45/501829545.db2.gz RBZHBXQPPOFVLW-KRWDZBQOSA-N 0 3 360.461 3.124 20 30 FGEDHN Cc1sc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc1C(C)C ZINC000470936838 501861425 /nfs/dbraw/zinc/86/14/25/501861425.db2.gz GZFJMNBKJBCWAS-MRXNPFEDSA-N 0 3 352.463 3.445 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](C(F)(F)F)[C@@H]2C)c(OC)c1 ZINC000470946203 501864785 /nfs/dbraw/zinc/86/47/85/501864785.db2.gz FEIIURXLNCDRIJ-IMJJTQAJSA-N 0 3 373.415 3.436 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3ccc(Cl)cc3[N+](=O)[O-])n2c1 ZINC000478194476 501905968 /nfs/dbraw/zinc/90/59/68/501905968.db2.gz IJIZTHMFMFBCIB-UHFFFAOYSA-N 0 3 355.785 3.100 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460777264 501918734 /nfs/dbraw/zinc/91/87/34/501918734.db2.gz ZGNMSDFEEJJYLQ-INIZCTEOSA-N 0 3 355.461 3.333 20 30 FGEDHN Cc1cccc(OCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1C ZINC000471158584 501939608 /nfs/dbraw/zinc/93/96/08/501939608.db2.gz ZTYHJYMJLMGLFQ-HXUWFJFHSA-N 0 3 361.445 3.443 20 30 FGEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc(F)c(Br)cc1F ZINC000599026813 506285090 /nfs/dbraw/zinc/28/50/90/506285090.db2.gz GRUWKUJYZMYZCP-SNVBAGLBSA-N 0 3 358.230 3.366 20 30 FGEDHN CC(C)c1ccc(C[C@H]2CCN(CC(=O)N(CCC#N)CCC#N)C2)cc1 ZINC000460979355 501978738 /nfs/dbraw/zinc/97/87/38/501978738.db2.gz BKLFHZOHUYIJCX-HXUWFJFHSA-N 0 3 366.509 3.330 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(C#N)c(C)c1C ZINC000478619307 502035898 /nfs/dbraw/zinc/03/58/98/502035898.db2.gz HQXBSAXRIQQGPN-ZIAGYGMSSA-N 0 3 374.554 3.350 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471810282 502142283 /nfs/dbraw/zinc/14/22/83/502142283.db2.gz OBRXGTVYHVWVHT-UHFFFAOYSA-N 0 3 354.498 3.326 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCCCOC)c2ccccc2)CC1 ZINC000471806442 502142703 /nfs/dbraw/zinc/14/27/03/502142703.db2.gz YIRJGVRQHVKXNY-FQEVSTJZSA-N 0 3 359.514 3.494 20 30 FGEDHN Cc1nn(C)c(N2CCN([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)c1C#N ZINC000471821716 502145742 /nfs/dbraw/zinc/14/57/42/502145742.db2.gz MDDCPGIUBMYHSS-SIKLNZKXSA-N 0 3 363.509 3.233 20 30 FGEDHN N#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000486432413 502152875 /nfs/dbraw/zinc/15/28/75/502152875.db2.gz KCHYZUSYNWGNJM-MRXNPFEDSA-N 0 3 351.372 3.261 20 30 FGEDHN C=CCCC1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000475462559 502179278 /nfs/dbraw/zinc/17/92/78/502179278.db2.gz HDWMSVSAEMCPSG-QGZVFWFLSA-N 0 3 355.482 3.069 20 30 FGEDHN C=CCn1c(SC[C@H](C)N(C)C)nnc1[C@@H]1COc2ccccc2O1 ZINC000479201124 502191592 /nfs/dbraw/zinc/19/15/92/502191592.db2.gz AINOFQYDGDMHDD-BBRMVZONSA-N 0 3 360.483 3.019 20 30 FGEDHN C[C@@H](CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N(C)C ZINC000479228810 502199752 /nfs/dbraw/zinc/19/97/52/502199752.db2.gz XIFKIKQWCSFTHR-AWEZNQCLSA-N 0 3 364.474 3.300 20 30 FGEDHN CCC(CC)CN(CCC#N)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468901153 502223203 /nfs/dbraw/zinc/22/32/03/502223203.db2.gz JHBUAXPKTKJEGE-UHFFFAOYSA-N 0 3 370.541 3.377 20 30 FGEDHN C=CCOc1ccccc1CN1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000475626460 502233709 /nfs/dbraw/zinc/23/37/09/502233709.db2.gz QJIUJKIAJVVTEJ-LJQANCHMSA-N 0 3 370.497 3.429 20 30 FGEDHN CN(C)CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCCC1 ZINC000468969641 502247156 /nfs/dbraw/zinc/24/71/56/502247156.db2.gz MEVVCEPUGUVPPV-UHFFFAOYSA-N 0 3 352.438 3.160 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000465408330 502252447 /nfs/dbraw/zinc/25/24/47/502252447.db2.gz LGTKNANHKPANHB-URLQWDBASA-N 0 3 350.528 3.444 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469017002 502264973 /nfs/dbraw/zinc/26/49/73/502264973.db2.gz OYODOTVLBNRKDB-OAHLLOKOSA-N 0 3 366.465 3.454 20 30 FGEDHN C=CCOc1ccc(CNc2ccn(C3CCN(C)CC3)n2)cc1Cl ZINC000486796359 502265228 /nfs/dbraw/zinc/26/52/28/502265228.db2.gz BMXZHMZZKLTGSH-UHFFFAOYSA-N 0 3 360.889 3.402 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000483108035 502275344 /nfs/dbraw/zinc/27/53/44/502275344.db2.gz SEVXTFATWQVJHP-KRWDZBQOSA-N 0 3 374.529 3.462 20 30 FGEDHN C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)(C)C1 ZINC000472266511 502290772 /nfs/dbraw/zinc/29/07/72/502290772.db2.gz XNMOFAROWAERPY-AWEZNQCLSA-N 0 3 352.400 3.294 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000465545453 502300310 /nfs/dbraw/zinc/30/03/10/502300310.db2.gz NJTDFTLBDGMQOQ-MKXGPGLRSA-N 0 3 363.546 3.188 20 30 FGEDHN C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N(C)Cc1ccccc1 ZINC000469283368 502361233 /nfs/dbraw/zinc/36/12/33/502361233.db2.gz SQMFKGBQLVAQTK-INIZCTEOSA-N 0 3 374.444 3.464 20 30 FGEDHN C[C@@H]1CN(CCCCNC(=O)C[C@H](CC#N)c2ccccc2)C[C@@H](C)O1 ZINC000476306710 502450079 /nfs/dbraw/zinc/45/00/79/502450079.db2.gz RTOSYTSCVOYBQW-GGPKGHCWSA-N 0 3 357.498 3.080 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@H](COC)Cc2ccccc2)CC1 ZINC000472999535 502494965 /nfs/dbraw/zinc/49/49/65/502494965.db2.gz JGKGPBVVJICOQK-NRFANRHFSA-N 0 3 373.541 3.316 20 30 FGEDHN CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCN1C ZINC000487963784 502583056 /nfs/dbraw/zinc/58/30/56/502583056.db2.gz NDMLGSCUAMCZQY-WMZOPIPTSA-N 0 3 374.554 3.291 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487989305 502592404 /nfs/dbraw/zinc/59/24/04/502592404.db2.gz DEAZQOHVQCQUJU-UHFFFAOYSA-N 0 3 353.264 3.125 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C)[C@H](C(C)C)C2)c1 ZINC000488005790 502597897 /nfs/dbraw/zinc/59/78/97/502597897.db2.gz DCZFUFCVUZHPDC-FPOVZHCZSA-N 0 3 370.541 3.211 20 30 FGEDHN Cc1nc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000488063557 502616131 /nfs/dbraw/zinc/61/61/31/502616131.db2.gz KJJQJXONWZDGFB-KRWDZBQOSA-N 0 3 360.383 3.389 20 30 FGEDHN Cc1cc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)ccc1C#N ZINC000488159039 502643488 /nfs/dbraw/zinc/64/34/88/502643488.db2.gz PNNUUSYTXRBMGV-MRXNPFEDSA-N 0 3 363.461 3.375 20 30 FGEDHN C=CCn1cccc1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000488401930 502704856 /nfs/dbraw/zinc/70/48/56/502704856.db2.gz VXLWWOOKJUBKRN-GOSISDBHSA-N 0 3 365.477 3.392 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)C(C)C ZINC000513014830 502831450 /nfs/dbraw/zinc/83/14/50/502831450.db2.gz NJPOBBGHBGYMEQ-FQEVSTJZSA-N 0 3 370.472 3.440 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000505042123 502844435 /nfs/dbraw/zinc/84/44/35/502844435.db2.gz QKFBMWRLFQHQLR-NRFANRHFSA-N 0 3 365.477 3.192 20 30 FGEDHN C=CCC[C@H](O)CN[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513157634 502866575 /nfs/dbraw/zinc/86/65/75/502866575.db2.gz CIALEMNDRJQTQY-RDJZCZTQSA-N 0 3 370.287 3.144 20 30 FGEDHN COC(=O)C[C@@](C)(NCCOc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000513166226 502868132 /nfs/dbraw/zinc/86/81/32/502868132.db2.gz KYTCPNGRPCVYGY-HXUWFJFHSA-N 0 3 356.397 3.144 20 30 FGEDHN COC(=O)C[C@](C)(NCCCC1(C#N)CCOCC1)c1cccc(F)c1 ZINC000513174615 502868830 /nfs/dbraw/zinc/86/88/30/502868830.db2.gz WMWOXCVXRRYONY-IBGZPJMESA-N 0 3 362.445 3.294 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889527 506339486 /nfs/dbraw/zinc/33/94/86/506339486.db2.gz WLLCZNWRRBZBQZ-SFHVURJKSA-N 0 3 374.444 3.378 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000496687757 502898633 /nfs/dbraw/zinc/89/86/33/502898633.db2.gz FJKFFOUCUXMAKO-IBGZPJMESA-N 0 3 371.456 3.493 20 30 FGEDHN C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H](c1ccccc1)N(C)C ZINC000505593054 502943513 /nfs/dbraw/zinc/94/35/13/502943513.db2.gz WRFRUSTYYAMQBC-IERDGZPVSA-N 0 3 373.460 3.165 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000501225912 502962531 /nfs/dbraw/zinc/96/25/31/502962531.db2.gz HIINBDLYXLXHOR-UWVAXJGDSA-N 0 3 363.461 3.277 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)N3CCc4ccccc43)CC2)nc1 ZINC000602905809 506343994 /nfs/dbraw/zinc/34/39/94/506343994.db2.gz DKYPBFUNSVLJPA-UHFFFAOYSA-N 0 3 360.461 3.112 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000602903602 506344045 /nfs/dbraw/zinc/34/40/45/506344045.db2.gz JGTGJCKWZUEBJC-UHFFFAOYSA-N 0 3 352.413 3.301 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)Nc3ccccc3F)CC2)nc1 ZINC000602908207 506346023 /nfs/dbraw/zinc/34/60/23/506346023.db2.gz AXPPACLRKZENKS-UHFFFAOYSA-N 0 3 352.413 3.301 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C1(C)CCCC1 ZINC000489895175 503059026 /nfs/dbraw/zinc/05/90/26/503059026.db2.gz XTBAXRBSNRUYHO-UHFFFAOYSA-N 0 3 360.502 3.216 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000506203428 503068606 /nfs/dbraw/zinc/06/86/06/503068606.db2.gz MATHWRLIHVGXGT-DLBZAZTESA-N 0 3 367.415 3.427 20 30 FGEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000514239797 503122717 /nfs/dbraw/zinc/12/27/17/503122717.db2.gz RZZSWMOUFIWNMX-FGTMMUONSA-N 0 3 373.497 3.116 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)c1C ZINC000510595786 503152050 /nfs/dbraw/zinc/15/20/50/503152050.db2.gz HXXJVKUPJJHICX-UHFFFAOYSA-N 0 3 366.465 3.385 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCCC[C@H]3OC(F)F)C2=O)cc1 ZINC000502514934 503215349 /nfs/dbraw/zinc/21/53/49/503215349.db2.gz XLXYGHAYKVHNJL-BRWVUGGUSA-N 0 3 363.408 3.194 20 30 FGEDHN Cn1ncc2ccc(CNCc3cn(CCC#N)nc3-c3ccncc3)cc21 ZINC000515024642 503253810 /nfs/dbraw/zinc/25/38/10/503253810.db2.gz NCEGOEVWPRROQP-UHFFFAOYSA-N 0 3 371.448 3.035 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000515415217 503334001 /nfs/dbraw/zinc/33/40/01/503334001.db2.gz OVZSAIRYCVREMI-GOSISDBHSA-N 0 3 356.422 3.161 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCc1ccc(C#N)cc1 ZINC000499380524 503391691 /nfs/dbraw/zinc/39/16/91/503391691.db2.gz AVYHZASLYQMTQA-UHFFFAOYSA-N 0 3 371.431 3.359 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2ccccc2)C1)C(C)C ZINC000503435228 503408518 /nfs/dbraw/zinc/40/85/18/503408518.db2.gz AGDAYUCEKHVXOZ-NHCUHLMSSA-N 0 3 371.525 3.468 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2)C1)C(C)C ZINC000503435226 503408565 /nfs/dbraw/zinc/40/85/65/503408565.db2.gz AGDAYUCEKHVXOZ-LEWJYISDSA-N 0 3 371.525 3.468 20 30 FGEDHN C=CCOc1cccc(CN[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 ZINC000508085002 503427486 /nfs/dbraw/zinc/42/74/86/503427486.db2.gz XCBNHOZFDDKPPB-KRWDZBQOSA-N 0 3 352.434 3.155 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCOCc2ccccc2)CC1 ZINC000493879466 503452403 /nfs/dbraw/zinc/45/24/03/503452403.db2.gz XJNHUOADQCSUFQ-SFHVURJKSA-N 0 3 359.514 3.322 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccco1 ZINC000503914593 503488146 /nfs/dbraw/zinc/48/81/46/503488146.db2.gz SQIDJVZSYGXQFF-QAPCUYQASA-N 0 3 354.454 3.122 20 30 FGEDHN C=CCn1c(CCCc2ccccc2)nnc1N1CCN(CC2CC2)CC1 ZINC000508509145 503508588 /nfs/dbraw/zinc/50/85/88/503508588.db2.gz MOGGRYOJQHOEIB-UHFFFAOYSA-N 0 3 365.525 3.171 20 30 FGEDHN C=C(CNCc1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccccc1 ZINC000504029232 503512640 /nfs/dbraw/zinc/51/26/40/503512640.db2.gz AMUKVCSRQYCIMM-UHFFFAOYSA-N 0 3 360.841 3.016 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@]2(C)CCO[C@@H]2C)c1C#N ZINC000494272208 503516681 /nfs/dbraw/zinc/51/66/81/503516681.db2.gz XHKVCNMLULHOBY-FOIQADDNSA-N 0 3 358.486 3.187 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@]2(C)CCO[C@@H]2C)c1C#N ZINC000494272210 503516868 /nfs/dbraw/zinc/51/68/68/503516868.db2.gz XHKVCNMLULHOBY-QRWLVFNGSA-N 0 3 358.486 3.187 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611966869 506376737 /nfs/dbraw/zinc/37/67/37/506376737.db2.gz CMRGJMWEAIQDFQ-GJZGRUSLSA-N 0 3 365.433 3.413 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000516518995 503525762 /nfs/dbraw/zinc/52/57/62/503525762.db2.gz FUDGOEJAJIYVSO-INIZCTEOSA-N 0 3 355.404 3.120 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000588913531 506378690 /nfs/dbraw/zinc/37/86/90/506378690.db2.gz WEYVQWKUXMISPS-IIBYNOLFSA-N 0 3 362.477 3.365 20 30 FGEDHN CN(C)CCn1ncc(C(=O)NCC(C)(C)CCC#N)c1-c1ccccc1 ZINC000516676814 503566071 /nfs/dbraw/zinc/56/60/71/503566071.db2.gz BFPBDZGYEWRUTC-UHFFFAOYSA-N 0 3 367.497 3.171 20 30 FGEDHN C[C@@H](NC(=O)NCC#Cc1cccc(F)c1)[C@H](c1ccccc1)N(C)C ZINC000504410109 503569889 /nfs/dbraw/zinc/56/98/89/503569889.db2.gz CIBIJCSEOFWLGZ-OXQOHEQNSA-N 0 3 353.441 3.168 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNc1cncc(-n2nc(C)cc2C)n1)C(C)C ZINC000516771838 503583834 /nfs/dbraw/zinc/58/38/34/503583834.db2.gz COLBONJTJRUUDB-SFHVURJKSA-N 0 3 354.502 3.390 20 30 FGEDHN CCc1cc(N2CCC(N[C@H](C)c3ccc(C#N)cc3F)CC2)ncn1 ZINC000512624792 503597904 /nfs/dbraw/zinc/59/79/04/503597904.db2.gz KJHUEWHBPPNLGR-CQSZACIVSA-N 0 3 353.445 3.369 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc(OC)c1OC ZINC000512646098 503602581 /nfs/dbraw/zinc/60/25/81/503602581.db2.gz SSOQBTHQWIUVQH-OWCLPIDISA-N 0 3 360.498 3.310 20 30 FGEDHN C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668882 503608326 /nfs/dbraw/zinc/60/83/26/503608326.db2.gz WZIJRBYJNMCFTH-XWFZLUIHSA-N 0 3 367.468 3.231 20 30 FGEDHN C[C@H](NC1(CNC(=O)c2sccc2C#N)CCOCC1)c1ccccc1 ZINC000500462494 503629735 /nfs/dbraw/zinc/62/97/35/503629735.db2.gz CAHLAKDKHNPXFS-HNNXBMFYSA-N 0 3 369.490 3.250 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000517025707 503646430 /nfs/dbraw/zinc/64/64/30/503646430.db2.gz FZVXVOOBGHVLPV-ZSZQSSIHSA-N 0 3 374.843 3.431 20 30 FGEDHN CC(C)(C#N)CNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000512907636 503652606 /nfs/dbraw/zinc/65/26/06/503652606.db2.gz SNVXDPZCMTVVDN-NRFANRHFSA-N 0 3 354.498 3.234 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000527128362 503691244 /nfs/dbraw/zinc/69/12/44/503691244.db2.gz HXVCXFNPZPGZRJ-HZPDHXFCSA-N 0 3 365.399 3.494 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC000536745799 503709154 /nfs/dbraw/zinc/70/91/54/503709154.db2.gz KPRLOXFYLDRHPA-IPMKNSEASA-N 0 3 351.535 3.188 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540246964 503723333 /nfs/dbraw/zinc/72/33/33/503723333.db2.gz ICVITNDZXURXLN-QRVBRYPASA-N 0 3 371.525 3.209 20 30 FGEDHN C=CC[C@@H](CO)CNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000540327466 503737976 /nfs/dbraw/zinc/73/79/76/503737976.db2.gz YEBTYLQVSQHHFX-GFCCVEGCSA-N 0 3 350.260 3.113 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccccc1 ZINC000540459148 503777519 /nfs/dbraw/zinc/77/75/19/503777519.db2.gz WIRIPKPCYLPBSF-LJQANCHMSA-N 0 3 351.450 3.310 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000537168518 503825978 /nfs/dbraw/zinc/82/59/78/503825978.db2.gz XUHPRIOXFRMBDG-MRXNPFEDSA-N 0 3 371.506 3.350 20 30 FGEDHN CCc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(C#N)c(F)c3)C2)ncn1 ZINC000540708403 503863253 /nfs/dbraw/zinc/86/32/53/503863253.db2.gz WXGVWOBHJOVVRR-KBXCAEBGSA-N 0 3 353.445 3.369 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000530231009 503883704 /nfs/dbraw/zinc/88/37/04/503883704.db2.gz LOYKUBQJKZOOEA-RHSMWYFYSA-N 0 3 358.825 3.065 20 30 FGEDHN COCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543861612 503919960 /nfs/dbraw/zinc/91/99/60/503919960.db2.gz VRHZNUIFKPYXJD-SJORKVTESA-N 0 3 365.477 3.417 20 30 FGEDHN CCN1CCC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000518178613 503922355 /nfs/dbraw/zinc/92/23/55/503922355.db2.gz DWACOMFSMGKAEG-AWEZNQCLSA-N 0 3 370.375 3.105 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cnn(-c4ccccn4)c3)CC2)cc1 ZINC000537489271 503930822 /nfs/dbraw/zinc/93/08/22/503930822.db2.gz GWFSUXJMGLJRTE-UHFFFAOYSA-N 0 3 358.449 3.215 20 30 FGEDHN C[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000540989117 503966484 /nfs/dbraw/zinc/96/64/84/503966484.db2.gz VQVYQWOCXNVONY-BEFAXECRSA-N 0 3 353.441 3.115 20 30 FGEDHN COc1cc(C)c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000540997680 503969785 /nfs/dbraw/zinc/96/97/85/503969785.db2.gz LQUGDIYKAQMMTC-UHFFFAOYSA-N 0 3 364.493 3.287 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CN1Cc1ccccc1 ZINC000518889947 504087129 /nfs/dbraw/zinc/08/71/29/504087129.db2.gz MDKCSMSXHQUIEX-CKVGWXAMSA-N 0 3 354.498 3.279 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518926023 504096255 /nfs/dbraw/zinc/09/62/55/504096255.db2.gz UIIJNIDKCCDSKK-MRXNPFEDSA-N 0 3 364.449 3.350 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000518967811 504104874 /nfs/dbraw/zinc/10/48/74/504104874.db2.gz OPTIZIWMSDXUOR-LAUBAEHRSA-N 0 3 362.477 3.385 20 30 FGEDHN Cc1cc(C)cc([C@@H]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000541386731 504112204 /nfs/dbraw/zinc/11/22/04/504112204.db2.gz GVPTYPLZHSAWMS-TZIWHRDSSA-N 0 3 350.462 3.404 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CN1C1CC1 ZINC000531006614 504160180 /nfs/dbraw/zinc/16/01/80/504160180.db2.gz FUAAGJXQLHICBN-VUBSUSDNSA-N 0 3 352.482 3.093 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(c2ccccc2F)CC1 ZINC000528389208 504201907 /nfs/dbraw/zinc/20/19/07/504201907.db2.gz QGMCZDDYESHNCD-GOSISDBHSA-N 0 3 354.425 3.317 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000528451246 504230095 /nfs/dbraw/zinc/23/00/95/504230095.db2.gz WCEYJWKSOUIVKC-IBGZPJMESA-N 0 3 361.917 3.071 20 30 FGEDHN C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000538397168 504234011 /nfs/dbraw/zinc/23/40/11/504234011.db2.gz SIFXMSGILPHFKO-LPHOPBHVSA-N 0 3 354.523 3.259 20 30 FGEDHN CN(C)CCOc1ccc(-c2noc(COc3ccc(C#N)cc3)n2)cc1 ZINC000544989199 504322213 /nfs/dbraw/zinc/32/22/13/504322213.db2.gz AGJBWJBPKNGHAR-UHFFFAOYSA-N 0 3 364.405 3.128 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](C)C[C@H](C)O)cc1OC ZINC000542135024 504375911 /nfs/dbraw/zinc/37/59/11/504375911.db2.gz PFTMZIGDWUJDDM-RYUDHWBXSA-N 0 3 358.276 3.272 20 30 FGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000535282891 504391752 /nfs/dbraw/zinc/39/17/52/504391752.db2.gz DOKGQPNLGGNOMK-MFKMUULPSA-N 0 3 354.191 3.114 20 30 FGEDHN CC[C@H]1CC[C@H](C)N1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000538956825 504429312 /nfs/dbraw/zinc/42/93/12/504429312.db2.gz YHMITVUQADDDLG-YOEHRIQHSA-N 0 3 352.400 3.436 20 30 FGEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000538956823 504429483 /nfs/dbraw/zinc/42/94/83/504429483.db2.gz YHMITVUQADDDLG-RHSMWYFYSA-N 0 3 352.400 3.436 20 30 FGEDHN COCc1cnc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)s1 ZINC000538970170 504434550 /nfs/dbraw/zinc/43/45/50/504434550.db2.gz ZDWKACDAKPDXAZ-UHFFFAOYSA-N 0 3 358.467 3.036 20 30 FGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000528922398 504451445 /nfs/dbraw/zinc/45/14/45/504451445.db2.gz ZWMLGMCUTSSZBK-FJSXFWSSSA-N 0 3 352.793 3.186 20 30 FGEDHN N#CC(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccncn1 ZINC000545445523 504489584 /nfs/dbraw/zinc/48/95/84/504489584.db2.gz GNGFZXNQHKZNGP-CQSZACIVSA-N 0 3 374.322 3.112 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616737 504497311 /nfs/dbraw/zinc/49/73/11/504497311.db2.gz LVTNDLPXQHYKMF-IFXJQAMLSA-N 0 3 353.853 3.462 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)OCC ZINC000535910076 504580397 /nfs/dbraw/zinc/58/03/97/504580397.db2.gz KSCSJCMNPJSSMO-WOJBJXKFSA-N 0 3 360.498 3.320 20 30 FGEDHN C[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539606781 504624686 /nfs/dbraw/zinc/62/46/86/504624686.db2.gz PYDDZVZTXAMMEB-OAHLLOKOSA-N 0 3 360.454 3.353 20 30 FGEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000549041988 504664446 /nfs/dbraw/zinc/66/44/46/504664446.db2.gz CQSHRGKRDXZJGX-UHFFFAOYSA-N 0 3 366.513 3.395 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546002014 504671213 /nfs/dbraw/zinc/67/12/13/504671213.db2.gz QCMHGSZXJYHJKC-GOSISDBHSA-N 0 3 364.449 3.305 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000532504819 504674447 /nfs/dbraw/zinc/67/44/47/504674447.db2.gz DFBQTAVKLVWJBI-UWJYYQICSA-N 0 3 359.473 3.369 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000549099797 504684993 /nfs/dbraw/zinc/68/49/93/504684993.db2.gz FWNNKUGPVPKMRZ-SFHVURJKSA-N 0 3 371.481 3.375 20 30 FGEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000549214020 504725767 /nfs/dbraw/zinc/72/57/67/504725767.db2.gz HDXOLLUKFOTJDJ-UHFFFAOYSA-N 0 3 366.513 3.371 20 30 FGEDHN CC#CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000536459928 504739675 /nfs/dbraw/zinc/73/96/75/504739675.db2.gz MJBHKBOQEWVKLW-RDJZCZTQSA-N 0 3 367.415 3.411 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)CC1 ZINC000521578305 504759486 /nfs/dbraw/zinc/75/94/86/504759486.db2.gz XCJGLBGUQCWGMI-OAHLLOKOSA-N 0 3 355.486 3.091 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000565148877 504807712 /nfs/dbraw/zinc/80/77/12/504807712.db2.gz XTJQLKMJUDOZED-MGPUTAFESA-N 0 3 351.450 3.265 20 30 FGEDHN N#CCSCCCN1CCN(CCCSCC#N)[C@@H]2CCCC[C@H]21 ZINC000559440758 504865037 /nfs/dbraw/zinc/86/50/37/504865037.db2.gz KIJHEABZOCXHNS-QZTJIDSGSA-N 0 3 366.600 3.209 20 30 FGEDHN C[C@H](N[C@H]1CCOC[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000565517849 504910208 /nfs/dbraw/zinc/91/02/08/504910208.db2.gz SIFRPJKNIVSHFA-WWGRRREGSA-N 0 3 361.511 3.230 20 30 FGEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000556595065 504914263 /nfs/dbraw/zinc/91/42/63/504914263.db2.gz OUMLMFHFOWUFBU-AWEZNQCLSA-N 0 3 374.448 3.341 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN2C[C@H](c3ccccc3)C3(CCC3)C2)cc1 ZINC000565702991 504963689 /nfs/dbraw/zinc/96/36/89/504963689.db2.gz CFHQWDWZGSYLFA-OAQYLSRUSA-N 0 3 359.473 3.444 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000562855629 504966702 /nfs/dbraw/zinc/96/67/02/504966702.db2.gz IZILYNVRMOTQDU-QFBILLFUSA-N 0 3 365.452 3.409 20 30 FGEDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000562866037 504969445 /nfs/dbraw/zinc/96/94/45/504969445.db2.gz XMZKFYHOUUIRTD-MAUKXSAKSA-N 0 3 369.421 3.060 20 30 FGEDHN Cc1oc2ccccc2c1CCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000565771073 504982591 /nfs/dbraw/zinc/98/25/91/504982591.db2.gz WEJNNGZBKYUSFP-UHFFFAOYSA-N 0 3 368.458 3.219 20 30 FGEDHN N#CC1CCC(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000563022620 505023582 /nfs/dbraw/zinc/02/35/82/505023582.db2.gz NXFUKDKCDGBTKJ-RRIIRSAJSA-N 0 3 366.509 3.232 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000565907838 505023721 /nfs/dbraw/zinc/02/37/21/505023721.db2.gz CSDWXGOGKQDYIU-BHDDXSALSA-N 0 3 359.473 3.443 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCCSc2ccc(Cl)cc2)cc1 ZINC000553846436 505024678 /nfs/dbraw/zinc/02/46/78/505024678.db2.gz QYPXOFUZFRMHOQ-INIZCTEOSA-N 0 3 362.882 3.333 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccccc2C(F)(F)F)cc1 ZINC000566106393 505082043 /nfs/dbraw/zinc/08/20/43/505082043.db2.gz OESDYQQVVYGINC-OAHLLOKOSA-N 0 3 350.340 3.107 20 30 FGEDHN CC[C@H](N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000554115548 505094269 /nfs/dbraw/zinc/09/42/69/505094269.db2.gz AKMAFCUZJSEZSF-ICSRJNTNSA-N 0 3 369.490 3.062 20 30 FGEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000550830872 505111115 /nfs/dbraw/zinc/11/11/15/505111115.db2.gz JPZAXMKAVLLUON-DNVCBOLYSA-N 0 3 357.479 3.420 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CN1Cc1ccccc1 ZINC000560555800 505125290 /nfs/dbraw/zinc/12/52/90/505125290.db2.gz DXDIEEPAYCJIFD-YJBOKZPZSA-N 0 3 351.425 3.019 20 30 FGEDHN N#Cc1ccc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)s1 ZINC000560769465 505181883 /nfs/dbraw/zinc/18/18/83/505181883.db2.gz ZVSGBUKGGIZGEK-FQEVSTJZSA-N 0 3 351.475 3.358 20 30 FGEDHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1 ZINC000557624490 505184912 /nfs/dbraw/zinc/18/49/12/505184912.db2.gz ODGIWBWSVOZVHA-INIZCTEOSA-N 0 3 359.817 3.417 20 30 FGEDHN C=CCn1cccc1C(=O)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000557646965 505192228 /nfs/dbraw/zinc/19/22/28/505192228.db2.gz MTOLSHZXJDUDRY-KRWDZBQOSA-N 0 3 367.497 3.013 20 30 FGEDHN COc1ccc(CN(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)cc1C#N ZINC000563842457 505254779 /nfs/dbraw/zinc/25/47/79/505254779.db2.gz OBKSMJZBJVKPDK-HTAPYJJXSA-N 0 3 366.461 3.109 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@]3(Cc4ccc(Cl)cc4)CCOC3)n2c1 ZINC000551582795 505259950 /nfs/dbraw/zinc/25/99/50/505259950.db2.gz DNHMNOOSZZIUGN-HXUWFJFHSA-N 0 3 366.852 3.351 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])N(C)C)cc1 ZINC000566816349 505279515 /nfs/dbraw/zinc/27/95/15/505279515.db2.gz DZDIMZMLHDGVLX-GOSISDBHSA-N 0 3 367.453 3.197 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CNC[C@@]1(C)OCCc2sccc21 ZINC000563953300 505286994 /nfs/dbraw/zinc/28/69/94/505286994.db2.gz HLQOLLPTMFPLRC-DYESRHJHSA-N 0 3 373.518 3.294 20 30 FGEDHN Cc1ccccc1[C@@H](CO)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000564054856 505312367 /nfs/dbraw/zinc/31/23/67/505312367.db2.gz QQRHSRZXRINIRF-GOSISDBHSA-N 0 3 357.841 3.172 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000566944123 505318389 /nfs/dbraw/zinc/31/83/89/505318389.db2.gz YGAIPQKHFOQKIU-GFCCVEGCSA-N 0 3 351.294 3.303 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000558455938 505394867 /nfs/dbraw/zinc/39/48/67/505394867.db2.gz NLMMGPAOYSCTKF-ZWKOTPCHSA-N 0 3 369.513 3.100 20 30 FGEDHN COC[C@]1(CN[C@H](C)c2ccc(C#N)c(F)c2)OCCc2ccccc21 ZINC000564379158 505400669 /nfs/dbraw/zinc/40/06/69/505400669.db2.gz KSYVRBYBYIGOGB-VFNWGFHPSA-N 0 3 354.425 3.463 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000552147033 505415060 /nfs/dbraw/zinc/41/50/60/505415060.db2.gz JONOPUQKTQXIPQ-OALUTQOASA-N 0 3 351.874 3.315 20 30 FGEDHN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000555353743 505415559 /nfs/dbraw/zinc/41/55/59/505415559.db2.gz QGFPDWAMXNVQSG-IBGZPJMESA-N 0 3 366.513 3.249 20 30 FGEDHN N#CCCCOc1cccc(CNCc2cccc(N3CCOCC3)c2)c1 ZINC000555592379 505466448 /nfs/dbraw/zinc/46/64/48/505466448.db2.gz PPDXXGROLIOAPX-UHFFFAOYSA-N 0 3 365.477 3.496 20 30 FGEDHN CCOC(=O)COCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000562038710 505499276 /nfs/dbraw/zinc/49/92/76/505499276.db2.gz VWZFQMAOBADHDF-MRXNPFEDSA-N 0 3 352.434 3.456 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4c(c3)CNCCO4)CC2)cc1 ZINC000564715195 505500808 /nfs/dbraw/zinc/50/08/08/505500808.db2.gz IHOLPNYPFBLPOZ-UHFFFAOYSA-N 0 3 374.444 3.361 20 30 FGEDHN C[C@@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)Oc1ccccc1Cl ZINC000564854870 505540340 /nfs/dbraw/zinc/54/03/40/505540340.db2.gz PJILVEINUDBAAE-DOTOQJQBSA-N 0 3 374.868 3.203 20 30 FGEDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000567724559 505550397 /nfs/dbraw/zinc/55/03/97/505550397.db2.gz JDEHMHLZJMIRRL-LSDHHAIUSA-N 0 3 374.554 3.099 20 30 FGEDHN Cc1cc(NCC2CCN(Cc3ccncc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596435948 506403968 /nfs/dbraw/zinc/40/39/68/506403968.db2.gz FFFXUWHCBFFIPP-UHFFFAOYSA-N 0 3 365.437 3.494 20 30 FGEDHN C[C@@H]1SCCN(C[C@H](O)COc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000599303981 506404164 /nfs/dbraw/zinc/40/41/64/506404164.db2.gz NZFOEHYGFZQFJD-NBHGPNQESA-N 0 3 368.502 3.477 20 30 FGEDHN N#CC1(C[C@@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)CCOCC1 ZINC000599326690 506412560 /nfs/dbraw/zinc/41/25/60/506412560.db2.gz MPSPYDSDGLYWFG-MRXNPFEDSA-N 0 3 368.399 3.355 20 30 FGEDHN CC(C)Oc1cccc([C@H](C)NC[C@@H](O)COc2ccccc2C#N)c1 ZINC000599350439 506422572 /nfs/dbraw/zinc/42/25/72/506422572.db2.gz SHTUWHIEOGDZTI-QFBILLFUSA-N 0 3 354.450 3.436 20 30 FGEDHN CC[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000599350259 506422773 /nfs/dbraw/zinc/42/27/73/506422773.db2.gz PIEXDPMBHZHINQ-ZBFHGGJFSA-N 0 3 368.424 3.400 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCC(c3ccccc3)CC2)nc1 ZINC000589057836 506425085 /nfs/dbraw/zinc/42/50/85/506425085.db2.gz AAAIQKZORIDJMK-UHFFFAOYSA-N 0 3 369.490 3.043 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@H](O)COc1ccccc1C#N ZINC000599366372 506429296 /nfs/dbraw/zinc/42/92/96/506429296.db2.gz OLBUKIXAWJJEAH-IIMJZQEZSA-N 0 3 374.868 3.317 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000612117081 506445030 /nfs/dbraw/zinc/44/50/30/506445030.db2.gz QBAWIPPOJYYYAQ-VQIMIIECSA-N 0 3 360.527 3.295 20 30 FGEDHN Cc1ccc(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1C#N ZINC000599412701 506445837 /nfs/dbraw/zinc/44/58/37/506445837.db2.gz NQKLPMIGEXXPMQ-OAHLLOKOSA-N 0 3 353.388 3.147 20 30 FGEDHN CC[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(OC)c(OC)c1 ZINC000599414579 506446045 /nfs/dbraw/zinc/44/60/45/506446045.db2.gz GNNQUYJLAOMXEI-MSOLQXFVSA-N 0 3 370.449 3.056 20 30 FGEDHN CCOC(=O)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](C#N)C3)c2)n1 ZINC000589206656 506485510 /nfs/dbraw/zinc/48/55/10/506485510.db2.gz DWTSASCGTAUOKZ-RDJZCZTQSA-N 0 3 352.438 3.221 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc2c(c1)sc(=O)n2C ZINC000589210591 506487566 /nfs/dbraw/zinc/48/75/66/506487566.db2.gz DYALALDKHIOJAU-UHFFFAOYSA-N 0 3 367.474 3.120 20 30 FGEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cc(F)c(Br)cc1F ZINC000599540747 506491683 /nfs/dbraw/zinc/49/16/83/506491683.db2.gz BXLRXRCWXGRLOW-VHSXEESVSA-N 0 3 359.214 3.433 20 30 FGEDHN CSc1cccnc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000593275731 506506909 /nfs/dbraw/zinc/50/69/09/506506909.db2.gz LALOFGLKLFMQQR-UHFFFAOYSA-N 0 3 369.494 3.271 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)c(C(F)(F)F)c1 ZINC000589315652 506515293 /nfs/dbraw/zinc/51/52/93/506515293.db2.gz KWOYISCIUHZTJA-INIZCTEOSA-N 0 3 365.399 3.458 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C2 ZINC000593306187 506528663 /nfs/dbraw/zinc/52/86/63/506528663.db2.gz ADJIPLJONSMODU-NRFANRHFSA-N 0 3 360.461 3.421 20 30 FGEDHN CC[C@H](CNC(=O)NCC1(C#N)CCCC1)N1CCc2ccccc2C1 ZINC000593306391 506528863 /nfs/dbraw/zinc/52/88/63/506528863.db2.gz WOBXIPKMMVGPJF-LJQANCHMSA-N 0 3 354.498 3.206 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000612420982 506573666 /nfs/dbraw/zinc/57/36/66/506573666.db2.gz AHFLWKHFJKJRNL-RTWAWAEBSA-N 0 3 360.461 3.111 20 30 FGEDHN CC(C)(C)C(=O)N1CCC(CN2CCc3c(CC#N)cccc3C2)CC1 ZINC000599678535 506573816 /nfs/dbraw/zinc/57/38/16/506573816.db2.gz VBTJXIPNFFVMCF-UHFFFAOYSA-N 0 3 353.510 3.395 20 30 FGEDHN N#CCc1cccc2c1CCN(CCCN1CCN(c3ccccc3)CC1)C2 ZINC000599679405 506574955 /nfs/dbraw/zinc/57/49/55/506574955.db2.gz ZSGHAZNEZPYCQC-UHFFFAOYSA-N 0 3 374.532 3.323 20 30 FGEDHN N#Cc1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000589521143 506577789 /nfs/dbraw/zinc/57/77/89/506577789.db2.gz FGDMUXNGNSBCIV-IRXDYDNUSA-N 0 3 368.399 3.377 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000596786260 506597032 /nfs/dbraw/zinc/59/70/32/506597032.db2.gz YXZIGNWZFIYMRL-LJQANCHMSA-N 0 3 366.440 3.478 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)c1ccco1 ZINC000593404778 506602707 /nfs/dbraw/zinc/60/27/07/506602707.db2.gz YSMHTOBHNTVFJL-KBXCAEBGSA-N 0 3 352.438 3.306 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2(C#N)CCCC2)C1 ZINC000593429922 506614816 /nfs/dbraw/zinc/61/48/16/506614816.db2.gz FXWAQHFPTUOXCJ-GOSISDBHSA-N 0 3 354.498 3.234 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000589643998 506617120 /nfs/dbraw/zinc/61/71/20/506617120.db2.gz QYYOPTPYECUZSL-LJQANCHMSA-N 0 3 362.481 3.066 20 30 FGEDHN COc1cc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c(F)cc1C#N ZINC000599819506 506654928 /nfs/dbraw/zinc/65/49/28/506654928.db2.gz JXQGTDBJBGHWJN-KRWDZBQOSA-N 0 3 356.401 3.130 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000596895659 506661770 /nfs/dbraw/zinc/66/17/70/506661770.db2.gz MQCXPSYERQGOEE-XJKSGUPXSA-N 0 3 355.388 3.402 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000596911591 506673207 /nfs/dbraw/zinc/67/32/07/506673207.db2.gz ZGPHOVXLBVLLDO-MRXNPFEDSA-N 0 3 365.437 3.351 20 30 FGEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)nc1 ZINC000590004517 506702995 /nfs/dbraw/zinc/70/29/95/506702995.db2.gz DZSSPGWVOCCXPR-FCHUYYIVSA-N 0 3 373.456 3.163 20 30 FGEDHN C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000593652644 506716436 /nfs/dbraw/zinc/71/64/36/506716436.db2.gz IUUSREPVVMAPLP-KZNAEPCWSA-N 0 3 374.492 3.084 20 30 FGEDHN CC(C)(C)c1ncc(CNC2CCN(Cc3cccc(C#N)c3)CC2)cn1 ZINC000593693393 506735017 /nfs/dbraw/zinc/73/50/17/506735017.db2.gz XHPNELBCNBZBDJ-UHFFFAOYSA-N 0 3 363.509 3.400 20 30 FGEDHN CN(C(=O)CC1(C#N)CCCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000597031556 506740091 /nfs/dbraw/zinc/74/00/91/506740091.db2.gz KGGCWPDFDBCZAV-UHFFFAOYSA-N 0 3 368.525 3.411 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(-c2nncnn2)cc1 ZINC000593718376 506747162 /nfs/dbraw/zinc/74/71/62/506747162.db2.gz FZKYVYBXJGBHTA-FQEVSTJZSA-N 0 3 356.433 3.363 20 30 FGEDHN N#Cc1cccc(CN2CCC(N[C@H](c3ncc[nH]3)c3cccnc3)CC2)c1 ZINC000593721922 506748773 /nfs/dbraw/zinc/74/87/73/506748773.db2.gz NVBLDRJXLYZCEQ-NRFANRHFSA-N 0 3 372.476 3.020 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NCCN2CCCCCC2)c1 ZINC000609081106 506771794 /nfs/dbraw/zinc/77/17/94/506771794.db2.gz UWFPVNKAZSXUHV-UHFFFAOYSA-N 0 3 352.385 3.157 20 30 FGEDHN CCCN(CC(=O)N(CC)CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000609101898 506776446 /nfs/dbraw/zinc/77/64/46/506776446.db2.gz DJJKKHJQUFEIEM-OAQYLSRUSA-N 0 3 370.541 3.125 20 30 FGEDHN CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000609189529 506807274 /nfs/dbraw/zinc/80/72/74/506807274.db2.gz VSKBWTFDOQUFRE-FQEVSTJZSA-N 0 3 356.514 3.472 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](c3cccnc3)C1)CCC2 ZINC000583497771 506812745 /nfs/dbraw/zinc/81/27/45/506812745.db2.gz HKCJSIMASDOAGR-OAHLLOKOSA-N 0 3 366.490 3.322 20 30 FGEDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2ccc(CC#N)cc2)CC1 ZINC000590541190 506855818 /nfs/dbraw/zinc/85/58/18/506855818.db2.gz IFOUHRIVVFFPIZ-FQEVSTJZSA-N 0 3 371.525 3.086 20 30 FGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCSCc1ccccc1C#N ZINC000609359055 506864856 /nfs/dbraw/zinc/86/48/56/506864856.db2.gz LUQNISSZZJCDME-IRXDYDNUSA-N 0 3 374.554 3.354 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000593991734 506870832 /nfs/dbraw/zinc/87/08/32/506870832.db2.gz KFXLSCXDIOWWPE-APWZRJJASA-N 0 3 363.461 3.093 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n(C2CCN(C)CC2)n1 ZINC000593994064 506871973 /nfs/dbraw/zinc/87/19/73/506871973.db2.gz PKEACGWMBYRGJB-HNNXBMFYSA-N 0 3 365.481 3.147 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593995578 506873413 /nfs/dbraw/zinc/87/34/13/506873413.db2.gz XVPPUAZIZZMZOP-XMSQKQJNSA-N 0 3 361.489 3.470 20 30 FGEDHN CCC(C)(C)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000594021274 506887518 /nfs/dbraw/zinc/88/75/18/506887518.db2.gz RESCZFCIYRSHLI-KRWDZBQOSA-N 0 3 374.504 3.267 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)N3CCOc4ccccc43)CCC2)cc1 ZINC000594033531 506897213 /nfs/dbraw/zinc/89/72/13/506897213.db2.gz RGMADFDREXDYEI-UHFFFAOYSA-N 0 3 361.445 3.343 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000583689262 506918959 /nfs/dbraw/zinc/91/89/59/506918959.db2.gz CFQAERYZGIQNAX-GDBMZVCRSA-N 0 3 374.428 3.290 20 30 FGEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609595456 506938547 /nfs/dbraw/zinc/93/85/47/506938547.db2.gz VPQFFAKTSSODHN-RDJZCZTQSA-N 0 3 365.433 3.039 20 30 FGEDHN Cc1cc(NC(=O)[C@H](C)CC#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000597412676 506938701 /nfs/dbraw/zinc/93/87/01/506938701.db2.gz GTJAVOLRCFWEAF-CRAIPNDOSA-N 0 3 351.454 3.127 20 30 FGEDHN CN(CCN1CCCCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1CC1 ZINC000597426897 506948557 /nfs/dbraw/zinc/94/85/57/506948557.db2.gz MLPUJWIQRCRSOU-UHFFFAOYSA-N 0 3 364.497 3.149 20 30 FGEDHN CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CCN1C ZINC000597429398 506951570 /nfs/dbraw/zinc/95/15/70/506951570.db2.gz ZGAACRQSPKZGAA-LJQANCHMSA-N 0 3 364.497 3.003 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594202875 507005973 /nfs/dbraw/zinc/00/59/73/507005973.db2.gz UGYFVXJYUJOIPC-HBFSDRIKSA-N 0 3 355.482 3.095 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594202873 507006481 /nfs/dbraw/zinc/00/64/81/507006481.db2.gz UGYFVXJYUJOIPC-BJLQDIEVSA-N 0 3 355.482 3.095 20 30 FGEDHN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(C)C#N)CC1 ZINC000609921282 507049764 /nfs/dbraw/zinc/04/97/64/507049764.db2.gz GETGVLLATSZVAH-CZUORRHYSA-N 0 3 364.287 3.204 20 30 FGEDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000613389231 507065057 /nfs/dbraw/zinc/06/50/57/507065057.db2.gz FNBRJZONVBEWRY-LQWHRVPQSA-N 0 3 365.477 3.076 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000600715573 507079118 /nfs/dbraw/zinc/07/91/18/507079118.db2.gz ACIRYTJYDSSJCN-DOTOQJQBSA-N 0 3 358.438 3.264 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCCOC[C@H]3C)sc2C1 ZINC000591020005 507080300 /nfs/dbraw/zinc/08/03/00/507080300.db2.gz XXGJHJQVJVHXIP-UONOGXRCSA-N 0 3 361.511 3.184 20 30 FGEDHN Cc1c2cc(F)ccc2oc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600721061 507081434 /nfs/dbraw/zinc/08/14/34/507081434.db2.gz KMBKYIHWWSASOD-MRXNPFEDSA-N 0 3 354.381 3.282 20 30 FGEDHN CN1CCN(CC2(C)CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)CC1 ZINC000613430293 507082822 /nfs/dbraw/zinc/08/28/22/507082822.db2.gz IRIMUVQMSONVAB-UHFFFAOYSA-N 0 3 369.557 3.105 20 30 FGEDHN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594333003 507083044 /nfs/dbraw/zinc/08/30/44/507083044.db2.gz IWDGQRACJZTFGW-GOSISDBHSA-N 0 3 373.460 3.388 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCCOc3cc(Cl)ccc32)CCOCC1 ZINC000600733259 507090303 /nfs/dbraw/zinc/09/03/03/507090303.db2.gz XYNBHIPJPGYYRV-NVXWUHKLSA-N 0 3 364.873 3.215 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCCc3c(F)cc(F)cc32)CCOCC1 ZINC000600738560 507091836 /nfs/dbraw/zinc/09/18/36/507091836.db2.gz JNQUNYYNAGVFFE-KDOFPFPSSA-N 0 3 350.409 3.003 20 30 FGEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133306 507112199 /nfs/dbraw/zinc/11/21/99/507112199.db2.gz BRCRRPXSDHJGNJ-QRQLOZEOSA-N 0 3 361.530 3.197 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000594439240 507133649 /nfs/dbraw/zinc/13/36/49/507133649.db2.gz OUDDUYMSHQQPPM-JKSUJKDBSA-N 0 3 351.397 3.193 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000594440886 507134519 /nfs/dbraw/zinc/13/45/19/507134519.db2.gz IXGGKASBZSEKDI-KRWDZBQOSA-N 0 3 351.454 3.236 20 30 FGEDHN CN(C)CCCN(CCC#N)C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000591158889 507137098 /nfs/dbraw/zinc/13/70/98/507137098.db2.gz PNLHSYDRXDRFDS-UHFFFAOYSA-N 0 3 365.477 3.497 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000597861016 507139554 /nfs/dbraw/zinc/13/95/54/507139554.db2.gz RGOWWKZMYAVIHY-QGZVFWFLSA-N 0 3 365.481 3.066 20 30 FGEDHN CC(C)(C#N)c1ccc(CNC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000594494346 507153499 /nfs/dbraw/zinc/15/34/99/507153499.db2.gz YKYWJEAPOPDPOL-QFIPXVFZSA-N 0 3 363.505 3.478 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000594496201 507155718 /nfs/dbraw/zinc/15/57/18/507155718.db2.gz WIKMKXZOKUSBNJ-UHFFFAOYSA-N 0 3 356.491 3.322 20 30 FGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000594505818 507158764 /nfs/dbraw/zinc/15/87/64/507158764.db2.gz YXIFUWRYTUWNPV-OAHLLOKOSA-N 0 3 353.388 3.131 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000597904739 507164523 /nfs/dbraw/zinc/16/45/23/507164523.db2.gz STQZFYLNYOFBDN-QZTJIDSGSA-N 0 3 361.436 3.296 20 30 FGEDHN C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000594552018 507181632 /nfs/dbraw/zinc/18/16/32/507181632.db2.gz XBHCXFOBABHNAJ-IAOVAPTHSA-N 0 3 372.538 3.042 20 30 FGEDHN C[C@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000610352425 507208837 /nfs/dbraw/zinc/20/88/37/507208837.db2.gz ZJCMXUBYJXZLGR-INIZCTEOSA-N 0 3 362.477 3.018 20 30 FGEDHN N#Cc1cccc(OCc2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)c1 ZINC000594650606 507221335 /nfs/dbraw/zinc/22/13/35/507221335.db2.gz YLXFHNYRTCVJPW-HXUWFJFHSA-N 0 3 359.433 3.176 20 30 FGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000584234747 507229303 /nfs/dbraw/zinc/22/93/03/507229303.db2.gz RKUXEEMVZYFRQM-IBGZPJMESA-N 0 3 350.422 3.173 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000584251734 507237367 /nfs/dbraw/zinc/23/73/67/507237367.db2.gz FQNKMFRDERKSST-QAPCUYQASA-N 0 3 351.450 3.428 20 30 FGEDHN N#Cc1cc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nc(C2CC2)n1 ZINC000601165212 507284868 /nfs/dbraw/zinc/28/48/68/507284868.db2.gz KIPPDJKIUSPQBV-JOCHJYFZSA-N 0 3 359.477 3.328 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CCC[C@H]3C#N)c(C)c2)CC1 ZINC000601239505 507306970 /nfs/dbraw/zinc/30/69/70/507306970.db2.gz MENHWEVSSQVRSK-FXAWDEMLSA-N 0 3 369.513 3.293 20 30 FGEDHN N#CC1(c2ccc(CNCc3ccccc3CN3CCOCC3)cc2)CC1 ZINC000594916531 507313437 /nfs/dbraw/zinc/31/34/37/507313437.db2.gz FHTDYUANEGXOFF-UHFFFAOYSA-N 0 3 361.489 3.364 20 30 FGEDHN COc1ccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1OCCCC#N ZINC000594959626 507331722 /nfs/dbraw/zinc/33/17/22/507331722.db2.gz FUDKCTWYYRJRPG-RYUVBPIJSA-N 0 3 364.511 3.157 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000591733908 507343413 /nfs/dbraw/zinc/34/34/13/507343413.db2.gz LBIPBRZLKLEUSH-GHTZIAJQSA-N 0 3 354.425 3.242 20 30 FGEDHN Cc1cc2ncn(C[C@@H](O)CNCc3ccc(C#N)c(Cl)c3)c2cc1C ZINC000591765832 507352313 /nfs/dbraw/zinc/35/23/13/507352313.db2.gz KPZVIANCCMQYQX-KRWDZBQOSA-N 0 3 368.868 3.329 20 30 FGEDHN CSc1ccc(OC[C@@H](O)CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000591765913 507352399 /nfs/dbraw/zinc/35/23/99/507352399.db2.gz RJCHIQLDQSKZLR-HNNXBMFYSA-N 0 3 362.882 3.463 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000584518632 507390348 /nfs/dbraw/zinc/39/03/48/507390348.db2.gz UMIOJJMRKATKEU-RBBKRZOGSA-N 0 3 374.488 3.359 20 30 FGEDHN N#CCN1CCC(N[C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000610812572 507399829 /nfs/dbraw/zinc/39/98/29/507399829.db2.gz BQLDJFGUZXAMAZ-INIZCTEOSA-N 0 3 364.287 3.240 20 30 FGEDHN COc1ccc2ncc(C#N)c(NCC3CCN(c4ccncc4)CC3)c2c1 ZINC000591928509 507414355 /nfs/dbraw/zinc/41/43/55/507414355.db2.gz QLSMIYKQRGHNOM-UHFFFAOYSA-N 0 3 373.460 3.260 20 30 FGEDHN Cc1ccc(CNC(=O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1 ZINC000595332258 507461544 /nfs/dbraw/zinc/46/15/44/507461544.db2.gz ICYKKTMRGVQZMX-UHFFFAOYSA-N 0 3 361.489 3.438 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595450020 507504288 /nfs/dbraw/zinc/50/42/88/507504288.db2.gz SRVPMIJAAKELKV-RTWAWAEBSA-N 0 3 369.896 3.473 20 30 FGEDHN CN(CCOc1ccc(Br)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598585384 507506574 /nfs/dbraw/zinc/50/65/74/507506574.db2.gz BVAANJRLOCNLFK-AWEZNQCLSA-N 0 3 355.276 3.060 20 30 FGEDHN C[C@H]1CN(c2cccc3cnccc32)CCN1C[C@H](O)CC(C)(C)C#N ZINC000598614691 507519957 /nfs/dbraw/zinc/51/99/57/507519957.db2.gz RNDITLOJZPPEJA-FUHWJXTLSA-N 0 3 352.482 3.046 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592174523 507524955 /nfs/dbraw/zinc/52/49/55/507524955.db2.gz XKZBWPBVMSWPGA-DZUCGIPZSA-N 0 3 368.568 3.150 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000606843822 507529487 /nfs/dbraw/zinc/52/94/87/507529487.db2.gz KASYBTIPTXYISN-OAHLLOKOSA-N 0 3 368.399 3.484 20 30 FGEDHN CNS(=O)(=O)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000595499923 507531982 /nfs/dbraw/zinc/53/19/82/507531982.db2.gz BNUVOBQNLDSQCM-IBGZPJMESA-N 0 3 357.479 3.119 20 30 FGEDHN N#Cc1ccc(CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000595506861 507536938 /nfs/dbraw/zinc/53/69/38/507536938.db2.gz OACMGCFQCKZTQR-NRFANRHFSA-N 0 3 362.477 3.065 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)Cc3ccc(C#N)cc3)C2)s1 ZINC000584843534 507537065 /nfs/dbraw/zinc/53/70/65/507537065.db2.gz MCGHIRCKUNYRNE-LJQANCHMSA-N 0 3 367.518 3.451 20 30 FGEDHN Cc1ccc(C(=O)N2CCC(NCc3cccc(F)c3C#N)CC2)cc1 ZINC000602005715 507549985 /nfs/dbraw/zinc/54/99/85/507549985.db2.gz ZJICRJSSTYWODA-UHFFFAOYSA-N 0 3 351.425 3.400 20 30 FGEDHN N#Cc1c(F)cccc1CNCC1CCN(C(=O)c2ccccc2)CC1 ZINC000602004555 507550404 /nfs/dbraw/zinc/55/04/04/507550404.db2.gz GNMZZICELPQPMM-UHFFFAOYSA-N 0 3 351.425 3.339 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(NC(=O)c2ccccc2)c1 ZINC000598716110 507566407 /nfs/dbraw/zinc/56/64/07/507566407.db2.gz XLCUZDWWCFYYHH-LJQANCHMSA-N 0 3 351.450 3.329 20 30 FGEDHN CN(C)Cc1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC000602185848 507621684 /nfs/dbraw/zinc/62/16/84/507621684.db2.gz KQUSJBGMAHUSRO-UHFFFAOYSA-N 0 3 362.477 3.337 20 30 FGEDHN CNC(=O)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)Cc1ccc(F)cc1C ZINC000592391673 507635306 /nfs/dbraw/zinc/63/53/06/507635306.db2.gz XKTVBQBTRXUJAU-RXVVDRJESA-N 0 3 365.452 3.188 20 30 FGEDHN N#CC(CCN1CC[C@H]2NC(=O)CC[C@H]2C1)(c1ccccc1)c1ccccc1 ZINC000595729089 507649608 /nfs/dbraw/zinc/64/96/08/507649608.db2.gz PVSMPOIMMKHDLP-SIKLNZKXSA-N 0 3 373.500 3.487 20 30 FGEDHN N#Cc1ccc(-c2cc(N3CCN(CCCc4ccncc4)CC3)n[nH]2)cc1 ZINC000595734996 507655173 /nfs/dbraw/zinc/65/51/73/507655173.db2.gz SEKAQORNDLWRPP-UHFFFAOYSA-N 0 3 372.476 3.098 20 30 FGEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000611387631 507657019 /nfs/dbraw/zinc/65/70/19/507657019.db2.gz RBBSVCMYGRMKSC-CQSZACIVSA-N 0 3 352.394 3.454 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000611394519 507660728 /nfs/dbraw/zinc/66/07/28/507660728.db2.gz OXNJYBVXIPQYNG-GOSISDBHSA-N 0 3 356.853 3.425 20 30 FGEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CCOCC1)Cc1ccccc1 ZINC000595770237 507677442 /nfs/dbraw/zinc/67/74/42/507677442.db2.gz WKLRZKGZGQGVIA-OAQYLSRUSA-N 0 3 350.462 3.411 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C#N)c1C ZINC000595777786 507680320 /nfs/dbraw/zinc/68/03/20/507680320.db2.gz JYUPUIBURNHIJB-JKSUJKDBSA-N 0 3 359.470 3.423 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)CC1 ZINC000592524135 507694474 /nfs/dbraw/zinc/69/44/74/507694474.db2.gz FDCGFZHICSBEHD-UHFFFAOYSA-N 0 3 371.525 3.397 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000592526815 507696743 /nfs/dbraw/zinc/69/67/43/507696743.db2.gz CDFRGVQANBZDHX-PZJWPPBQSA-N 0 3 371.525 3.446 20 30 FGEDHN CCN(CCOc1ccccc1OC)CCC(=O)Nc1cccc(C#N)c1 ZINC000595887068 507729328 /nfs/dbraw/zinc/72/93/28/507729328.db2.gz MHYAOIGOPASBKX-UHFFFAOYSA-N 0 3 367.449 3.296 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000602540756 507741994 /nfs/dbraw/zinc/74/19/94/507741994.db2.gz JVHSBIDRFUBZHB-AWEZNQCLSA-N 0 3 362.271 3.239 20 30 FGEDHN CN(CC(=O)NCc1ccccc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328648780 522406546 /nfs/dbraw/zinc/40/65/46/522406546.db2.gz USMDWURQJFBYLK-FPOVZHCZSA-N 0 3 352.482 3.163 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCOCC)[C@H]2CCc3ccccc32)CC1 ZINC000636738417 567994049 /nfs/dbraw/zinc/99/40/49/567994049.db2.gz CEHJQGZZFKJIJS-NRFANRHFSA-N 0 3 371.525 3.372 20 30 FGEDHN C[C@H]1CC[C@H](NC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000330281075 568096808 /nfs/dbraw/zinc/09/68/08/568096808.db2.gz UDHNMRMDHHLECD-CUWPLCDZSA-N 0 3 359.514 3.048 20 30 FGEDHN CC(C)[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735874036 598812399 /nfs/dbraw/zinc/81/23/99/598812399.db2.gz LLDKKKIJMKRXLF-UHFFFAOYSA-N 0 3 362.437 3.180 20 30 FGEDHN CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735874036 598812400 /nfs/dbraw/zinc/81/24/00/598812400.db2.gz LLDKKKIJMKRXLF-UHFFFAOYSA-N 0 3 362.437 3.180 20 30 FGEDHN CC(C)[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735874036 598812402 /nfs/dbraw/zinc/81/24/02/598812402.db2.gz LLDKKKIJMKRXLF-UHFFFAOYSA-N 0 3 362.437 3.180 20 30 FGEDHN CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735874036 598812403 /nfs/dbraw/zinc/81/24/03/598812403.db2.gz LLDKKKIJMKRXLF-UHFFFAOYSA-N 0 3 362.437 3.180 20 30 FGEDHN C[N@@H+]1CCC[C@H](CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000830928498 600753911 /nfs/dbraw/zinc/75/39/11/600753911.db2.gz NQIKKOCWSUSXKD-NEWSRXKRSA-N 0 3 369.490 3.418 20 30 FGEDHN C[N@H+]1CCC[C@H](CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000830928498 600753912 /nfs/dbraw/zinc/75/39/12/600753912.db2.gz NQIKKOCWSUSXKD-NEWSRXKRSA-N 0 3 369.490 3.418 20 30 FGEDHN CC[NH+](CC)Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829680235 601301644 /nfs/dbraw/zinc/30/16/44/601301644.db2.gz UQTVBQZTALPLJG-FQEVSTJZSA-N 0 3 351.450 3.316 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cc(Cl)ccc1OC ZINC000125639361 700737959 /nfs/dbraw/zinc/73/79/59/700737959.db2.gz DTRWCUDANVUFFT-HNNXBMFYSA-N 0 3 350.846 3.296 20 30 FGEDHN Cn1cc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000125955550 700741964 /nfs/dbraw/zinc/74/19/64/700741964.db2.gz ZSUHQANOGWETPR-GFCCVEGCSA-N 0 3 365.220 3.007 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000130195543 700797399 /nfs/dbraw/zinc/79/73/99/700797399.db2.gz VQRBLOPMTQTZNB-GFCCVEGCSA-N 0 3 361.716 3.348 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000130195543 700797400 /nfs/dbraw/zinc/79/74/00/700797400.db2.gz VQRBLOPMTQTZNB-GFCCVEGCSA-N 0 3 361.716 3.348 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2c(s1)CCOC2 ZINC000171402137 705383350 /nfs/dbraw/zinc/38/33/50/705383350.db2.gz GRHGSBMNZKFMTQ-CYBMUJFWSA-N 0 3 360.822 3.435 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(OCC#N)cc1 ZINC000180539771 705746163 /nfs/dbraw/zinc/74/61/63/705746163.db2.gz IKHZZSZHAYOVKY-CABCVRRESA-N 0 3 358.463 3.404 20 30 FGEDHN C#CCSCCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186070167 712708592 /nfs/dbraw/zinc/70/85/92/712708592.db2.gz DTLDPDSMCOPHJG-ZWKOTPCHSA-N 0 3 351.537 3.036 20 30 FGEDHN N#CC(C(=O)C[C@H]1CCCO1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193405501 712890237 /nfs/dbraw/zinc/89/02/37/712890237.db2.gz AFKWNMUMPCBQFP-YPMHNXCESA-N 0 3 354.378 3.218 20 30 FGEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)N(C)CC(F)(F)F ZINC000194905780 713539061 /nfs/dbraw/zinc/53/90/61/713539061.db2.gz SGDYQDQKHXJFLC-PWSUYJOCSA-N 0 3 368.384 3.264 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@@H](C)C(C)=O ZINC000657238293 719603591 /nfs/dbraw/zinc/60/35/91/719603591.db2.gz QQJIHSGUSBJBKP-OAHLLOKOSA-N 0 3 350.532 3.200 20 30 FGEDHN N#CC1(c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2)CCC1 ZINC001164722930 720381371 /nfs/dbraw/zinc/38/13/71/720381371.db2.gz DTDDOWKMAKCWMU-WOJBJXKFSA-N 0 3 359.477 3.275 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(CCC(C)C)s2)CC1 ZINC000667347284 721079213 /nfs/dbraw/zinc/07/92/13/721079213.db2.gz QRBRMIHGPVSXQI-UHFFFAOYSA-N 0 3 351.520 3.289 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000783536306 724762699 /nfs/dbraw/zinc/76/26/99/724762699.db2.gz KRHREZGGZLRABF-NEPJUHHUSA-N 0 3 366.310 3.340 20 30 FGEDHN N#Cc1c(Cl)ccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900524 721522064 /nfs/dbraw/zinc/52/20/64/721522064.db2.gz RUXPZUBPVKLLOE-GOEBONIOSA-N 0 3 372.831 3.088 20 30 FGEDHN C=CCOCCNCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000679486265 722029988 /nfs/dbraw/zinc/02/99/88/722029988.db2.gz IEBQBMHNJKKBDH-UHFFFAOYSA-N 0 3 366.202 3.351 20 30 FGEDHN C[C@@H](NC(=O)c1cccs1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416377 722468200 /nfs/dbraw/zinc/46/82/00/722468200.db2.gz CPJVAJSTWPOMBP-KOLCDFICSA-N 0 3 373.434 3.492 20 30 FGEDHN CC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C1CCCC1 ZINC000730420354 722468268 /nfs/dbraw/zinc/46/82/68/722468268.db2.gz CHLUPYQREBUKCZ-CJNGLKHVSA-N 0 3 359.426 3.307 20 30 FGEDHN C[C@H]1CCCC[C@@H]1NC(=S)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000743827893 722571610 /nfs/dbraw/zinc/57/16/10/722571610.db2.gz SBGMNNILDULHBQ-LPHOPBHVSA-N 0 3 358.555 3.375 20 30 FGEDHN N#CC(C(=O)CSCc1cscn1)C(=O)Nc1ccccc1Cl ZINC000747205308 722636397 /nfs/dbraw/zinc/63/63/97/722636397.db2.gz RMRSUDKBVWJXDL-LLVKDONJSA-N 0 3 365.867 3.377 20 30 FGEDHN COc1cccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000752160521 722846749 /nfs/dbraw/zinc/84/67/49/722846749.db2.gz KICQLWLQWXNHDU-SNVBAGLBSA-N 0 3 364.188 3.358 20 30 FGEDHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNCc1ccc(C#N)s1 ZINC000756132941 722961171 /nfs/dbraw/zinc/96/11/71/722961171.db2.gz SQKCBELFGSPMSU-SWLSCSKDSA-N 0 3 365.499 3.470 20 30 FGEDHN Oc1ccc(/C=N/C2CC(N3CCC(C(F)(F)F)CC3)C2)c(O)c1O ZINC000794833555 723548203 /nfs/dbraw/zinc/54/82/03/723548203.db2.gz NTCGFHUETPVWTK-ZVBGSRNCSA-N 0 3 358.360 3.028 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@H]1CCCOC1 ZINC000796633422 723647711 /nfs/dbraw/zinc/64/77/11/723647711.db2.gz OJTYRWCKRRBJQX-OLZOCXBDSA-N 0 3 364.829 3.121 20 30 FGEDHN CCOC(=O)N[C@@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797568596 723835719 /nfs/dbraw/zinc/83/57/19/723835719.db2.gz JZZLHVKTGGQFEJ-WCQYABFASA-N 0 3 351.472 3.388 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000776518064 724154333 /nfs/dbraw/zinc/15/43/33/724154333.db2.gz UTANTLGBTCQZDI-JHJVBQTASA-N 0 3 364.829 3.120 20 30 FGEDHN N#CC(C(=O)COc1ccsc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000800387322 724190016 /nfs/dbraw/zinc/19/00/16/724190016.db2.gz RWQYFKFLKJVJKN-LLVKDONJSA-N 0 3 352.774 3.267 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000784490970 724858175 /nfs/dbraw/zinc/85/81/75/724858175.db2.gz MZDWMRATEDPMNX-INIZCTEOSA-N 0 3 362.857 3.223 20 30 FGEDHN N#CC(C(=O)CCCc1cccs1)C(=O)NCc1ccc(F)cc1F ZINC000786559621 724988787 /nfs/dbraw/zinc/98/87/87/724988787.db2.gz ISKQPUAHFSKBIS-HNNXBMFYSA-N 0 3 362.401 3.374 20 30 FGEDHN C=CCOCC(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000787054973 725015043 /nfs/dbraw/zinc/01/50/43/725015043.db2.gz YMRBJFVYGAWAFZ-MFKMUULPSA-N 0 3 355.221 3.082 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000809697334 725259855 /nfs/dbraw/zinc/25/98/55/725259855.db2.gz DYBRCBPEQRHEEN-RDJZCZTQSA-N 0 3 355.404 3.029 20 30 FGEDHN CC(C)[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCCO1 ZINC000815318437 727064063 /nfs/dbraw/zinc/06/40/63/727064063.db2.gz OZMWWTZHRFLEGU-YOEHRIQHSA-N 0 3 357.479 3.219 20 30 FGEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000815909280 727106679 /nfs/dbraw/zinc/10/66/79/727106679.db2.gz WIGMMMYOYSILCV-RAIGVLPGSA-N 0 3 352.793 3.332 20 30 FGEDHN C#CCN(C)CCCNC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000818584626 727315210 /nfs/dbraw/zinc/31/52/10/727315210.db2.gz RWBFDDHSZOWAPB-UHFFFAOYSA-N 0 3 363.672 3.097 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cccn1 ZINC000819945617 728956071 /nfs/dbraw/zinc/95/60/71/728956071.db2.gz WAPWTEKIQOXIFZ-CMPLNLGQSA-N 0 3 365.220 3.489 20 30 FGEDHN C#C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1ccc(F)cc1 ZINC000820491061 728998623 /nfs/dbraw/zinc/99/86/23/728998623.db2.gz 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ZINC000850758863 731385801 /nfs/dbraw/zinc/38/58/01/731385801.db2.gz JWDSKKRFPIAISO-UHIISALHSA-N 0 3 352.793 3.330 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000850761702 731386266 /nfs/dbraw/zinc/38/62/66/731386266.db2.gz QJIOZQYIKSBXFW-ZWNOBZJWSA-N 0 3 355.221 3.317 20 30 FGEDHN CC(C)(C)n1nnc(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000850771295 731387059 /nfs/dbraw/zinc/38/70/59/731387059.db2.gz LLFDAQLMGWWGDB-JTQLQIEISA-N 0 3 374.857 3.110 20 30 FGEDHN CC(C)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852733204 731627403 /nfs/dbraw/zinc/62/74/03/731627403.db2.gz XOQFVXDSHDIZKR-FHWLQOOXSA-N 0 3 365.905 3.042 20 30 FGEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000854068578 731790567 /nfs/dbraw/zinc/79/05/67/731790567.db2.gz CETVAMDTIWJSQL-MRXNPFEDSA-N 0 3 355.404 3.190 20 30 FGEDHN C#CC[C@H](CCOC)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000858333951 732204713 /nfs/dbraw/zinc/20/47/13/732204713.db2.gz QCBUCFZEGJNTPK-OAHLLOKOSA-N 0 3 362.271 3.357 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/nfs/dbraw/zinc/13/33/26/736133326.db2.gz JJNVUUGSBCEDRC-HZPDHXFCSA-N 0 3 364.898 3.280 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000876703545 736134498 /nfs/dbraw/zinc/13/44/98/736134498.db2.gz YYJIJWSHZOFUBI-CABZTGNLSA-N 0 3 355.225 3.037 20 30 FGEDHN N#Cc1cnc(Cl)c(CNCCCC(=O)N2CCc3ccccc32)c1 ZINC000877008834 736174336 /nfs/dbraw/zinc/17/43/36/736174336.db2.gz QHYCJLGABPARLU-UHFFFAOYSA-N 0 3 354.841 3.066 20 30 FGEDHN C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000877256357 736201628 /nfs/dbraw/zinc/20/16/28/736201628.db2.gz SYJRVWHUIHTISF-WMZOPIPTSA-N 0 3 351.853 3.424 20 30 FGEDHN C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000877256101 736201692 /nfs/dbraw/zinc/20/16/92/736201692.db2.gz NHMKAOZIIZPPDN-WMZOPIPTSA-N 0 3 351.853 3.424 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877574288 736687228 /nfs/dbraw/zinc/68/72/28/736687228.db2.gz DWVMYBRSPMUMLN-IUODEOHRSA-N 0 3 364.877 3.390 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@H]1C(F)(F)F ZINC000880027744 737102737 /nfs/dbraw/zinc/10/27/37/737102737.db2.gz WWKZHVPGVSMABK-REWJHTLYSA-N 0 3 361.408 3.314 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N(Cc1ccsc1)c1ccccc1)C2 ZINC000884118277 737635026 /nfs/dbraw/zinc/63/50/26/737635026.db2.gz ALWIPDGXLRZXTL-GNZRSQJKSA-N 0 3 351.475 3.421 20 30 FGEDHN C[C@H](NC[C@@H](CO)Cc1ccc(Br)cc1)c1cc(C#N)ccn1 ZINC000902972383 743794865 /nfs/dbraw/zinc/79/48/65/743794865.db2.gz DRYFSHYYLARUDM-BBRMVZONSA-N 0 3 374.282 3.218 20 30 FGEDHN CC[C@@H](C#N)Oc1cc(CNC[C@@](O)(CC)C(F)(F)F)ccc1OC ZINC000905118240 743993883 /nfs/dbraw/zinc/99/38/83/743993883.db2.gz SQYBZINGTDEGAA-BBRMVZONSA-N 0 3 360.376 3.169 20 30 FGEDHN CCOc1cc(C=NNC(=N)N)ccc1OCc1c(F)cccc1Cl ZINC000915050908 757870853 /nfs/dbraw/zinc/87/08/53/757870853.db2.gz OBBHGPFCXODEDE-UHFFFAOYSA-N 0 3 364.808 3.274 20 30 FGEDHN Cc1ccc(SCC(=O)C(C#N)C(=O)NCCCOC(C)C)c(C)c1 ZINC000916872979 758148194 /nfs/dbraw/zinc/14/81/94/758148194.db2.gz QIAPHABGAHHFDZ-MRXNPFEDSA-N 0 3 362.495 3.036 20 30 FGEDHN C#CCN(C(=O)N[C@@H](C)c1nc2ccccc2s1)C1CCN(C)CC1 ZINC000918839421 758375088 /nfs/dbraw/zinc/37/50/88/758375088.db2.gz SXOYLVUQHLOJNX-AWEZNQCLSA-N 0 3 356.495 3.096 20 30 FGEDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 ZINC000924776699 759387777 /nfs/dbraw/zinc/38/77/77/759387777.db2.gz OCWWPPJMNKZISH-OAHLLOKOSA-N 0 3 351.516 3.133 20 30 FGEDHN N#CCCN1CCN(CCCCOc2ccc(Br)cc2)CC1 ZINC000930116868 760532803 /nfs/dbraw/zinc/53/28/03/760532803.db2.gz SAWBGTUVTZAOIV-UHFFFAOYSA-N 0 3 366.303 3.139 20 30 FGEDHN CC(C)(COc1ncccc1Br)NCc1cncc(C#N)c1 ZINC000930169367 760543842 /nfs/dbraw/zinc/54/38/42/760543842.db2.gz ZJDRSTZFLPEMRQ-UHFFFAOYSA-N 0 3 361.243 3.058 20 30 FGEDHN C#Cc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC000931616242 760912633 /nfs/dbraw/zinc/91/26/33/760912633.db2.gz PUIKEQZDHVNEGD-BBRMVZONSA-N 0 3 354.372 3.038 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCOc3ccc(Br)cc32)CCC1 ZINC000932204387 761085606 /nfs/dbraw/zinc/08/56/06/761085606.db2.gz ADWBCXGWBWMNGO-HIFRSBDPSA-N 0 3 365.271 3.307 20 30 FGEDHN CN(C)C[C@@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)c1ccc(Cl)cc1 ZINC000932900756 761267584 /nfs/dbraw/zinc/26/75/84/761267584.db2.gz CQODCPNQAJFACZ-OLZOCXBDSA-N 0 3 362.783 3.086 20 30 FGEDHN CSc1ccccc1NC(=O)CCN1CCC2(CC1)CC(=O)C=CO2 ZINC000933649553 761445656 /nfs/dbraw/zinc/44/56/56/761445656.db2.gz GAFAGRIWTPSQFS-UHFFFAOYSA-N 0 3 360.479 3.075 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1 ZINC000961413352 762748582 /nfs/dbraw/zinc/74/85/82/762748582.db2.gz ZGWMOUNOZXBREB-OLMNPRSZSA-N 0 3 354.922 3.115 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC000969691039 762860842 /nfs/dbraw/zinc/86/08/42/762860842.db2.gz FBKBRVVUMFJFNI-ZMYBRWDISA-N 0 3 362.539 3.283 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(CCCc2ccsc2)C1 ZINC000970571419 762880889 /nfs/dbraw/zinc/88/08/89/762880889.db2.gz KGMDVXTWVMFMIV-SNRMKQJTSA-N 0 3 362.539 3.098 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001019498870 765859893 /nfs/dbraw/zinc/85/98/93/765859893.db2.gz XDRYOHIPQVLHEL-MPGHIAIKSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001022099619 765973489 /nfs/dbraw/zinc/97/34/89/765973489.db2.gz KTZLJNPIQMJNNJ-DLTWYDFYSA-N 0 3 366.864 3.197 20 30 FGEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001023369639 766033473 /nfs/dbraw/zinc/03/34/73/766033473.db2.gz GDDGPRMCOGZYRI-VMAZRHSESA-N 0 3 356.432 3.063 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023637145 766045779 /nfs/dbraw/zinc/04/57/79/766045779.db2.gz FGIGTXXMBCWKJQ-JYJNAYRXSA-N 0 3 362.436 3.138 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001028863866 766140353 /nfs/dbraw/zinc/14/03/53/766140353.db2.gz FPGQHLSPSFXHGW-NEWSRXKRSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccc(Cl)cc1F ZINC001035057869 766254623 /nfs/dbraw/zinc/25/46/23/766254623.db2.gz YLACMHVNLJVPNA-NUJGCVRESA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cccc(Cl)c1F ZINC001045208204 766517064 /nfs/dbraw/zinc/51/70/64/766517064.db2.gz XORVRQIGPKHHOZ-UXLLHSPISA-N 0 3 366.864 3.151 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1sccc1Cl ZINC001045238099 766522338 /nfs/dbraw/zinc/52/23/38/766522338.db2.gz JWHTWUAFEDDPAF-ZQIUZPCESA-N 0 3 368.930 3.463 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1csc(C)c1 ZINC001049732743 766805503 /nfs/dbraw/zinc/80/55/03/766805503.db2.gz QRWOKMOSHFYVJD-HCXYKTFWSA-N 0 3 360.523 3.213 20 30 FGEDHN C/C=C\c1ccc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000046835889 208368409 /nfs/dbraw/zinc/36/84/09/208368409.db2.gz GZHFFTXTJFDZHY-MNBNYPOFSA-N 0 3 366.461 3.472 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCCCc2ccccc2)cc1 ZINC000576815942 505601410 /nfs/dbraw/zinc/60/14/10/505601410.db2.gz CUXGWCBAKSYZSE-UHFFFAOYSA-N 0 3 356.491 3.335 20 30 FGEDHN N#Cc1ccc(CNC(=O)NCC2CCN(Cc3cccs3)CC2)s1 ZINC000570917000 505611147 /nfs/dbraw/zinc/61/11/47/505611147.db2.gz VFPIOILPVXDTAS-UHFFFAOYSA-N 0 3 374.535 3.393 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000568122237 505622131 /nfs/dbraw/zinc/62/21/31/505622131.db2.gz ZTNWUJPDFTZRSN-DYESRHJHSA-N 0 3 369.509 3.294 20 30 FGEDHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000579957406 505653375 /nfs/dbraw/zinc/65/33/75/505653375.db2.gz AUVTYHAQSPZVOM-XJKSGUPXSA-N 0 3 363.527 3.214 20 30 FGEDHN Cc1cc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)n(CCC#N)n1 ZINC000068218465 493780782 /nfs/dbraw/zinc/78/07/82/493780782.db2.gz ZIIDRANSKCYWEF-QGZVFWFLSA-N 0 3 369.444 3.095 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(CC#N)c1 ZINC000068312424 493795633 /nfs/dbraw/zinc/79/56/33/493795633.db2.gz CKNWJWREJROTGJ-UHFFFAOYSA-N 0 3 357.404 3.235 20 30 FGEDHN Cc1cccc(CN2CCN(CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000028881690 493805412 /nfs/dbraw/zinc/80/54/12/493805412.db2.gz XUTDOYORNVLDIV-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN N#CCc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000076083625 493819081 /nfs/dbraw/zinc/81/90/81/493819081.db2.gz QMTZQAGBMSIMJD-UHFFFAOYSA-N 0 3 358.511 3.236 20 30 FGEDHN C=CCOc1ccc(C(=O)N(C2CC2)C2CCN(CC)CC2)cc1OC ZINC000058261628 493839044 /nfs/dbraw/zinc/83/90/44/493839044.db2.gz HIJVJFASQSQCSV-UHFFFAOYSA-N 0 3 358.482 3.349 20 30 FGEDHN C#Cc1cccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000068555893 493840730 /nfs/dbraw/zinc/84/07/30/493840730.db2.gz NJNHBLAAPIYCGA-IAGOWNOFSA-N 0 3 355.482 3.021 20 30 FGEDHN CC(C)N1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000076210338 493845575 /nfs/dbraw/zinc/84/55/75/493845575.db2.gz XFQRNGWLQJOIHY-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)Nc3cc(C#N)ccc3C)CC2)c1 ZINC000081301409 493864575 /nfs/dbraw/zinc/86/45/75/493864575.db2.gz LSUPKJQFWJPYLY-UHFFFAOYSA-N 0 3 362.477 3.326 20 30 FGEDHN C[C@H]1CCCCN1Cc1ccccc1CNS(=O)(=O)CCCCC#N ZINC000068880790 493887380 /nfs/dbraw/zinc/88/73/80/493887380.db2.gz YXFJXTSIVMCCHY-KRWDZBQOSA-N 0 3 363.527 3.174 20 30 FGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CC2CCCCC2)CC1 ZINC000049981847 493888660 /nfs/dbraw/zinc/88/86/60/493888660.db2.gz CMEZFMBNIGGUMY-KRWDZBQOSA-N 0 3 354.498 3.083 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000050091061 493896507 /nfs/dbraw/zinc/89/65/07/493896507.db2.gz CFIROSJBSJNWLV-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000069047647 493912513 /nfs/dbraw/zinc/91/25/13/493912513.db2.gz XPNVSOWWPHHIQV-IBGZPJMESA-N 0 3 357.498 3.294 20 30 FGEDHN CCc1nc(C)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000050628482 493925476 /nfs/dbraw/zinc/92/54/76/493925476.db2.gz MWNQHKLCKYTFLH-UHFFFAOYSA-N 0 3 356.495 3.090 20 30 FGEDHN N#CC(C(=O)c1ccc(Br)cc1)c1nnc2n1CCCCC2 ZINC000060851045 493957034 /nfs/dbraw/zinc/95/70/34/493957034.db2.gz UEEKBHYSQJCHBI-CYBMUJFWSA-N 0 3 359.227 3.257 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000051405559 493967498 /nfs/dbraw/zinc/96/74/98/493967498.db2.gz OERUTGNOFPVKHO-UXHICEINSA-N 0 3 354.425 3.144 20 30 FGEDHN COCCN1CCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000069526809 493980167 /nfs/dbraw/zinc/98/01/67/493980167.db2.gz CVQOJSGOXUXCAT-SFHVURJKSA-N 0 3 363.461 3.066 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000577257882 505695564 /nfs/dbraw/zinc/69/55/64/505695564.db2.gz AUARUFCGWJUBKW-OAHLLOKOSA-N 0 3 356.470 3.295 20 30 FGEDHN CCN(CCOc1ccc(C#N)cc1OC)Cc1ccc(OC)c(OC)c1 ZINC000077248374 494042141 /nfs/dbraw/zinc/04/21/41/494042141.db2.gz MAELDZLNBMTLLX-UHFFFAOYSA-N 0 3 370.449 3.485 20 30 FGEDHN C=CCc1ccc(OCC(=O)NCc2cccc(CN(C)C)c2)c(OC)c1 ZINC000033084226 494042860 /nfs/dbraw/zinc/04/28/60/494042860.db2.gz PLJPYHBFZFNDRA-UHFFFAOYSA-N 0 3 368.477 3.181 20 30 FGEDHN C=CC[N-]C(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccccc1 ZINC000063440153 494054445 /nfs/dbraw/zinc/05/44/45/494054445.db2.gz VZISCOZOKIQABK-UHFFFAOYSA-O 0 3 370.498 3.090 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063495128 494060607 /nfs/dbraw/zinc/06/06/07/494060607.db2.gz GUBFVQOJDMUDMZ-QGZVFWFLSA-N 0 3 364.367 3.449 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1noc(C2CC2)n1 ZINC000052890762 494073065 /nfs/dbraw/zinc/07/30/65/494073065.db2.gz OQMCCTOUAKECIV-UHFFFAOYSA-N 0 3 374.514 3.045 20 30 FGEDHN C/C=C/c1ccc(OC[C@H](O)CNCc2ccc(C#N)s2)c(OC)c1 ZINC000580185754 505698446 /nfs/dbraw/zinc/69/84/46/505698446.db2.gz UTYIVFPTRGXCGF-NHZBNJEXSA-N 0 3 358.463 3.191 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)cc2OCC2CC2)CC1 ZINC000087116315 494174128 /nfs/dbraw/zinc/17/41/28/494174128.db2.gz PJALITPMXKAMNM-UHFFFAOYSA-N 0 3 357.498 3.233 20 30 FGEDHN CCC1(O)CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000072724646 494241746 /nfs/dbraw/zinc/24/17/46/494241746.db2.gz QCQMDIVFVKQXQN-UHFFFAOYSA-N 0 3 361.511 3.064 20 30 FGEDHN CN(CCOCC1CC1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000088600548 494252342 /nfs/dbraw/zinc/25/23/42/494252342.db2.gz WJCFPTFWUYDMJZ-UHFFFAOYSA-N 0 3 361.511 3.186 20 30 FGEDHN Cc1ccccc1NCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930646 494257223 /nfs/dbraw/zinc/25/72/23/494257223.db2.gz GRDDMJORHOFJKH-UHFFFAOYSA-N 0 3 364.493 3.259 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN(Cc1ccccc1)C1CCCCC1 ZINC000054990327 494289252 /nfs/dbraw/zinc/28/92/52/494289252.db2.gz VYMGFNBHJLUIST-UHFFFAOYSA-N 0 3 352.482 3.477 20 30 FGEDHN CC(C)N(C(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000055172408 494310449 /nfs/dbraw/zinc/31/04/49/494310449.db2.gz LTKCHDSESFSEBL-LJQANCHMSA-N 0 3 370.541 3.100 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000015056599 494335567 /nfs/dbraw/zinc/33/55/67/494335567.db2.gz XCLXAEVIECPJFG-FQEVSTJZSA-N 0 3 365.477 3.352 20 30 FGEDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000073432319 494370947 /nfs/dbraw/zinc/37/09/47/494370947.db2.gz FFEIKMSHXSFUTM-PBHICJAKSA-N 0 3 360.404 3.464 20 30 FGEDHN Cc1nc(NC(=O)C2Oc3ccccc3O[C@H]2C)sc1SCC#N ZINC000044789990 494381671 /nfs/dbraw/zinc/38/16/71/494381671.db2.gz NYMKNEOMBBQYKM-GXFFZTMASA-N 0 3 361.448 3.234 20 30 FGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccccc1Oc1cccnc1 ZINC000089943736 494409279 /nfs/dbraw/zinc/40/92/79/494409279.db2.gz YGHXLNNRZLUKPU-UHFFFAOYSA-N 0 3 362.437 3.115 20 30 FGEDHN CCCNC(=O)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905406 494436391 /nfs/dbraw/zinc/43/63/91/494436391.db2.gz VHRUXIMGLFUTMO-UHFFFAOYSA-N 0 3 351.450 3.143 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000045757219 494457620 /nfs/dbraw/zinc/45/76/20/494457620.db2.gz MZIZHJPRXUIGFK-UHFFFAOYSA-N 0 3 362.477 3.331 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1cccc(C#N)c1 ZINC000067062561 494466956 /nfs/dbraw/zinc/46/69/56/494466956.db2.gz FNSYLBQDJVOIKC-UHFFFAOYSA-N 0 3 350.466 3.352 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C2CCN(c3cccc(F)c3)CC2)CC1 ZINC000074132436 494486160 /nfs/dbraw/zinc/48/61/60/494486160.db2.gz TVWNMERSQPQRDD-UHFFFAOYSA-N 0 3 374.504 3.086 20 30 FGEDHN COc1ccc(C[C@@H](C)CN(C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000090616692 494488671 /nfs/dbraw/zinc/48/86/71/494488671.db2.gz UTFZAGFLKFUBBA-QGZVFWFLSA-N 0 3 357.498 3.148 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)C ZINC000046049173 494490195 /nfs/dbraw/zinc/49/01/95/494490195.db2.gz YHGAQRNFCXUADS-NRFANRHFSA-N 0 3 369.509 3.024 20 30 FGEDHN Cc1cccn2c1ncc(C(=O)C(C#N)c1nc(C(C)C)cs1)c2=O ZINC000091106375 494535688 /nfs/dbraw/zinc/53/56/88/494535688.db2.gz JMKRKFDWYUPSLY-GFCCVEGCSA-N 0 3 352.419 3.073 20 30 FGEDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000568586920 505728891 /nfs/dbraw/zinc/72/88/91/505728891.db2.gz UXTIVOYIZFTRNU-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)c2ccc(C#N)cc2)o1 ZINC000056881918 494583413 /nfs/dbraw/zinc/58/34/13/494583413.db2.gz VCCPGIJCTDTBCH-MRXNPFEDSA-N 0 3 354.454 3.294 20 30 FGEDHN C[C@@H]1CN(CC2CCN(c3c(C#N)cnc4ccccc43)CC2)C[C@@H](C)O1 ZINC000091478954 494606608 /nfs/dbraw/zinc/60/66/08/494606608.db2.gz ANGKRONBKQSHOZ-IAGOWNOFSA-N 0 3 364.493 3.432 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccc(C#N)cc2OC)C1)CC(F)(F)F ZINC000121129996 494610125 /nfs/dbraw/zinc/61/01/25/494610125.db2.gz XRZZTHAJTQDTFW-OAHLLOKOSA-N 0 3 355.404 3.273 20 30 FGEDHN C[C@@H](Oc1cccc(F)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011838 494617629 /nfs/dbraw/zinc/61/76/29/494617629.db2.gz PFWNOJNREDGDLQ-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000047053057 494627982 /nfs/dbraw/zinc/62/79/82/494627982.db2.gz XCGYINJVDHLJEP-KRWDZBQOSA-N 0 3 350.466 3.393 20 30 FGEDHN N#Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000115840795 494638572 /nfs/dbraw/zinc/63/85/72/494638572.db2.gz YBFYZASGJQMMMD-LJQANCHMSA-N 0 3 351.425 3.226 20 30 FGEDHN COC1CCN(CCNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000080250399 494650960 /nfs/dbraw/zinc/65/09/60/494650960.db2.gz KSXCGWTYUKNIFM-UHFFFAOYSA-N 0 3 363.465 3.190 20 30 FGEDHN CC(C)(CCC#N)CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000092539108 494662554 /nfs/dbraw/zinc/66/25/54/494662554.db2.gz RMANEPRVBFFPPZ-UHFFFAOYSA-N 0 3 359.905 3.435 20 30 FGEDHN Cc1cc(C)nc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000126255479 494687879 /nfs/dbraw/zinc/68/78/79/494687879.db2.gz WWWAIRWWZYYZRN-UHFFFAOYSA-N 0 3 351.454 3.166 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)COc2ccccc2C#N)CC1 ZINC000116068211 494693274 /nfs/dbraw/zinc/69/32/74/494693274.db2.gz ZCVGVQLEGOFCHY-QGZVFWFLSA-N 0 3 363.461 3.279 20 30 FGEDHN COc1ccc(CN2CCC(n3ccnc3)CC2)cc1OCCCC#N ZINC000092659197 494701684 /nfs/dbraw/zinc/70/16/84/494701684.db2.gz SMYVMVBGYQDMFC-UHFFFAOYSA-N 0 3 354.454 3.411 20 30 FGEDHN CCN(CC)Cc1cccc(NC(=O)COc2ccc(C#N)cc2OC)c1 ZINC000047447848 494711706 /nfs/dbraw/zinc/71/17/06/494711706.db2.gz TXEXYHOXGZZJHI-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN COC(=O)[C@@H](C)CN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000091987082 494744662 /nfs/dbraw/zinc/74/46/62/494744662.db2.gz ZVYYHNJEQWHNBY-INIZCTEOSA-N 0 3 352.434 3.378 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(C)C ZINC000047633506 494749779 /nfs/dbraw/zinc/74/97/79/494749779.db2.gz JZJYKFBVTFQPCM-HKUYNNGSSA-N 0 3 373.472 3.066 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000047841302 494781424 /nfs/dbraw/zinc/78/14/24/494781424.db2.gz PPXCWQSHKCTLFY-UHFFFAOYSA-N 0 3 367.518 3.382 20 30 FGEDHN CN(CCCNC(=O)CSCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000047858755 494782982 /nfs/dbraw/zinc/78/29/82/494782982.db2.gz DUYSGARJDCCVQV-UHFFFAOYSA-N 0 3 367.518 3.430 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000075633856 494805726 /nfs/dbraw/zinc/80/57/26/494805726.db2.gz GPAOAHIVFXWNOA-KRWDZBQOSA-N 0 3 372.488 3.021 20 30 FGEDHN CC(C)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000075635375 494806347 /nfs/dbraw/zinc/80/63/47/494806347.db2.gz QNBQYXVTANINDK-HNNXBMFYSA-N 0 3 374.554 3.099 20 30 FGEDHN C=CC[N-]C(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C)cc1 ZINC000027059719 494850784 /nfs/dbraw/zinc/85/07/84/494850784.db2.gz OGHBNNXUNWFICY-UHFFFAOYSA-O 0 3 370.498 3.144 20 30 FGEDHN N#CCCn1cc(CN2C[C@H]3CCC[C@@H](C2)C3O)c(-c2ccccc2)n1 ZINC000093479660 494895215 /nfs/dbraw/zinc/89/52/15/494895215.db2.gz VZSYMRRXXVKPHC-HTZLVSCSSA-N 0 3 350.466 3.057 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CC[C@H](C)O)cc1OC ZINC000093481529 494896652 /nfs/dbraw/zinc/89/66/52/494896652.db2.gz UPLCYLZNOKLQDK-LBPRGKRZSA-N 0 3 358.276 3.225 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000093532100 494897730 /nfs/dbraw/zinc/89/77/30/494897730.db2.gz JSGJWZUKBNTIHY-QGZVFWFLSA-N 0 3 355.482 3.202 20 30 FGEDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cccc(OCCCC#N)c1)CC2 ZINC000093613559 494904872 /nfs/dbraw/zinc/90/48/72/494904872.db2.gz CUDYCHPWISAECJ-WOJBJXKFSA-N 0 3 358.482 3.121 20 30 FGEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000118974854 495062379 /nfs/dbraw/zinc/06/23/79/495062379.db2.gz MROBYJOGKNSGDP-QUCCMNQESA-N 0 3 355.482 3.050 20 30 FGEDHN C=CCOc1ccc(CN2CCC(CN3CCOCC3)CC2)cc1Cl ZINC000134064496 495100979 /nfs/dbraw/zinc/10/09/79/495100979.db2.gz LBCBQZAUYOHYOC-UHFFFAOYSA-N 0 3 364.917 3.449 20 30 FGEDHN C=CCOc1ccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000123381157 495123643 /nfs/dbraw/zinc/12/36/43/495123643.db2.gz YZJBDNNQUZUWLZ-UHFFFAOYSA-N 0 3 355.438 3.399 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1noc2c1CCCCC2 ZINC000128660189 495131799 /nfs/dbraw/zinc/13/17/99/495131799.db2.gz ZKVKXMQSTDHISE-UHFFFAOYSA-N 0 3 366.465 3.019 20 30 FGEDHN CC[C@@H](O)CN(CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000134476898 495155625 /nfs/dbraw/zinc/15/56/25/495155625.db2.gz DIGXBAYRWBWUGN-LJQANCHMSA-N 0 3 354.450 3.219 20 30 FGEDHN N#Cc1ccc2ncc(CNCCOc3ccc(Br)cc3)n2c1 ZINC000123640519 495165200 /nfs/dbraw/zinc/16/52/00/495165200.db2.gz LSYOYJHSIWGFCR-UHFFFAOYSA-N 0 3 371.238 3.137 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000123689401 495171784 /nfs/dbraw/zinc/17/17/84/495171784.db2.gz HNLCMWMEBHVVRH-UHFFFAOYSA-N 0 3 360.408 3.125 20 30 FGEDHN C=CCCS(=O)(=O)NCc1ccccc1CN1C[C@H](C)C[C@H](C)C1 ZINC000119709065 495223337 /nfs/dbraw/zinc/22/33/37/495223337.db2.gz PBDTVPMLYUGHTM-CALCHBBNSA-N 0 3 350.528 3.160 20 30 FGEDHN CC1(C)CCCC[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000119896514 495264938 /nfs/dbraw/zinc/26/49/38/495264938.db2.gz XQIWCSZCVAJLTQ-QGZVFWFLSA-N 0 3 351.454 3.241 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1CN(C)C ZINC000124629712 495319519 /nfs/dbraw/zinc/31/95/19/495319519.db2.gz MPNKEYRIDJNUAJ-UHFFFAOYSA-N 0 3 354.450 3.252 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000125039337 495381405 /nfs/dbraw/zinc/38/14/05/495381405.db2.gz ALWFCJVGKSBTSP-IBGZPJMESA-N 0 3 372.557 3.442 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)[N-]C[C@H]2CCOC2)cc1 ZINC000136531611 495385764 /nfs/dbraw/zinc/38/57/64/495385764.db2.gz AOXDSIQANZUWFM-QGZVFWFLSA-O 0 3 369.510 3.101 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCOc2ccc(F)cc2F)CC1 ZINC000106035588 495405678 /nfs/dbraw/zinc/40/56/78/495405678.db2.gz TTWAJEGRQHAHEB-UHFFFAOYSA-N 0 3 352.425 3.281 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3)c2CC)CC1 ZINC000106036793 495405716 /nfs/dbraw/zinc/40/57/16/495405716.db2.gz STWYFEAZACVCSW-UHFFFAOYSA-N 0 3 352.482 3.205 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000106034912 495406364 /nfs/dbraw/zinc/40/63/64/495406364.db2.gz AGKBTAQHBMQUJY-FQEVSTJZSA-N 0 3 355.482 3.118 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000120619499 495420085 /nfs/dbraw/zinc/42/00/85/495420085.db2.gz AEGDXBAMCKJKDN-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000106275484 495441923 /nfs/dbraw/zinc/44/19/23/495441923.db2.gz IQBQQYUXJUCWQI-UHFFFAOYSA-N 0 3 359.514 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000106274934 495441954 /nfs/dbraw/zinc/44/19/54/495441954.db2.gz ZYCFBQBCFLZXOS-YLJYHZDGSA-N 0 3 357.498 3.199 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000120857515 495472906 /nfs/dbraw/zinc/47/29/06/495472906.db2.gz RZZKWISVVVPCBD-AWEZNQCLSA-N 0 3 356.388 3.436 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115376210 495497237 /nfs/dbraw/zinc/49/72/37/495497237.db2.gz MDYSWNUTDNVITJ-LJQANCHMSA-N 0 3 363.461 3.209 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000141743976 495510242 /nfs/dbraw/zinc/51/02/42/495510242.db2.gz MVKWJEZSYHIREQ-OAHLLOKOSA-N 0 3 374.916 3.489 20 30 FGEDHN CC(C)Oc1ccc(CC[C@H](C)N[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115597666 495520746 /nfs/dbraw/zinc/52/07/46/495520746.db2.gz ITACFVNDULQUBE-KKSFZXQISA-N 0 3 365.477 3.483 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](N3CCCC3)C2)c1 ZINC000170742494 495586510 /nfs/dbraw/zinc/58/65/10/495586510.db2.gz DZRYUVAJELILDQ-UXHICEINSA-N 0 3 368.525 3.109 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](c3ccncc3)C2)cc1Cl ZINC000580580288 505791043 /nfs/dbraw/zinc/79/10/43/505791043.db2.gz GMWKVCIKIIKWPE-INIZCTEOSA-N 0 3 354.841 3.425 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000176394485 495635212 /nfs/dbraw/zinc/63/52/12/495635212.db2.gz HBJVDEYNWQKCAU-IAGOWNOFSA-N 0 3 370.497 3.301 20 30 FGEDHN N#Cc1cccc(OCCCN[C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000179560456 495640797 /nfs/dbraw/zinc/64/07/97/495640797.db2.gz XSIFESCEYMNGJJ-OAQYLSRUSA-N 0 3 363.461 3.280 20 30 FGEDHN N#Cc1ccccc1OCCN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179728492 495707517 /nfs/dbraw/zinc/70/75/17/495707517.db2.gz VDTUNCKMJJOXPO-OAQYLSRUSA-N 0 3 350.418 3.449 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N(C)Cc1ccccc1 ZINC000185767085 495718668 /nfs/dbraw/zinc/71/86/68/495718668.db2.gz QQBSYIDXROHSIL-UHFFFAOYSA-N 0 3 350.466 3.174 20 30 FGEDHN N#CC(C(=O)c1ccnc(OCC(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000173903668 495740312 /nfs/dbraw/zinc/74/03/12/495740312.db2.gz RMAGJVALHMOWMO-LLVKDONJSA-N 0 3 360.295 3.389 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000568891182 505801600 /nfs/dbraw/zinc/80/16/00/505801600.db2.gz QHXDEQKKJRNRFS-SJORKVTESA-N 0 3 351.498 3.441 20 30 FGEDHN CN(C)CCn1nccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000568907563 505805449 /nfs/dbraw/zinc/80/54/49/505805449.db2.gz SFLUTFFYTABUCO-UHFFFAOYSA-N 0 3 358.445 3.097 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000180026956 495828943 /nfs/dbraw/zinc/82/89/43/495828943.db2.gz COCHYHOJGVOMBZ-QAPCUYQASA-N 0 3 352.438 3.402 20 30 FGEDHN CN(C)[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1cccs1 ZINC000180030811 495830348 /nfs/dbraw/zinc/83/03/48/495830348.db2.gz HXNBAELEGPCRDF-SFHVURJKSA-N 0 3 365.506 3.413 20 30 FGEDHN CCN1CCN(Cc2ccc(CNCc3ccc(C#N)s3)cc2)CC1 ZINC000176949006 495852766 /nfs/dbraw/zinc/85/27/66/495852766.db2.gz BUTHSOYHYBXJOF-UHFFFAOYSA-N 0 3 354.523 3.047 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000155177874 495863526 /nfs/dbraw/zinc/86/35/26/495863526.db2.gz VGVXYQGOQGDGJG-KUHUBIRLSA-N 0 3 369.415 3.477 20 30 FGEDHN C=CCCOCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000155194642 495870029 /nfs/dbraw/zinc/87/00/29/495870029.db2.gz QIJGKODOIZKBHJ-SFHVURJKSA-N 0 3 370.415 3.150 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1OC ZINC000180144923 495879161 /nfs/dbraw/zinc/87/91/61/495879161.db2.gz XZJNEMYZJLVMNV-NQIIRXRSSA-N 0 3 366.461 3.435 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2nnc(-c3ccccc3)s2)CC1 ZINC000151664232 495911620 /nfs/dbraw/zinc/91/16/20/495911620.db2.gz CHZWUFBXWUAFLG-UHFFFAOYSA-N 0 3 371.510 3.045 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151717205 495926235 /nfs/dbraw/zinc/92/62/35/495926235.db2.gz BWADYBDWYRDDFL-SJORKVTESA-N 0 3 356.422 3.127 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc3c(cc2Cl)OCCO3)CC1 ZINC000171581832 495934553 /nfs/dbraw/zinc/93/45/53/495934553.db2.gz YVYQAYTYXBUIKZ-UHFFFAOYSA-N 0 3 365.861 3.273 20 30 FGEDHN C=CCSCCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000180333493 495955913 /nfs/dbraw/zinc/95/59/13/495955913.db2.gz BCMRZLHPAIXHPL-UHFFFAOYSA-N 0 3 362.543 3.249 20 30 FGEDHN C[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N1CCCCCC1 ZINC000174432447 495958125 /nfs/dbraw/zinc/95/81/25/495958125.db2.gz CSZNCJCQLKVLIH-CJNGLKHVSA-N 0 3 364.287 3.394 20 30 FGEDHN C[C@H](C[C@@H](O)c1ccco1)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351257 495962344 /nfs/dbraw/zinc/96/23/44/495962344.db2.gz OTOVBNJNEWSAGV-RDTXWAMCSA-N 0 3 350.422 3.154 20 30 FGEDHN C[C@@H](CCc1cccc(F)c1)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000183411026 495971239 /nfs/dbraw/zinc/97/12/39/495971239.db2.gz PUPYNBONIXOHEO-HOTGVXAUSA-N 0 3 353.445 3.019 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151917414 495991452 /nfs/dbraw/zinc/99/14/52/495991452.db2.gz JQEQJNYBKMBDFI-ROUUACIJSA-N 0 3 353.422 3.068 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)CC1 ZINC000171696817 495993327 /nfs/dbraw/zinc/99/33/27/495993327.db2.gz JTZKHNFFOZCPGU-GOSISDBHSA-N 0 3 355.486 3.210 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000171698708 495994643 /nfs/dbraw/zinc/99/46/43/495994643.db2.gz HRHHLZDPEJBVQI-CYBMUJFWSA-N 0 3 366.303 3.460 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000171721399 496007345 /nfs/dbraw/zinc/00/73/45/496007345.db2.gz JWWRJOKWCHZDMB-UHFFFAOYSA-N 0 3 370.266 3.038 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000171741631 496015962 /nfs/dbraw/zinc/01/59/62/496015962.db2.gz HQOCUNZMAOVIOK-UHFFFAOYSA-N 0 3 357.376 3.400 20 30 FGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000180559566 496044384 /nfs/dbraw/zinc/04/43/84/496044384.db2.gz YYRNJPDKVSZKDL-HNNXBMFYSA-N 0 3 351.406 3.396 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000183680834 496076673 /nfs/dbraw/zinc/07/66/73/496076673.db2.gz XKWGHBFNDFQYQH-WMLDXEAASA-N 0 3 363.527 3.406 20 30 FGEDHN CC(C)[C@H](C)NC(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000155925943 496108509 /nfs/dbraw/zinc/10/85/09/496108509.db2.gz CPNPIKVYCXHMHL-KRWDZBQOSA-N 0 3 357.498 3.200 20 30 FGEDHN COc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1OCCCC#N ZINC000172069009 496150952 /nfs/dbraw/zinc/15/09/52/496150952.db2.gz KFPHCEZEZJRSKS-WIYYLYMNSA-N 0 3 352.434 3.126 20 30 FGEDHN Cc1cccc(N2CCN(CCCNCc3cc(C#N)cs3)CC2)c1 ZINC000177683535 496158356 /nfs/dbraw/zinc/15/83/56/496158356.db2.gz HSZLIVUISBQQQO-UHFFFAOYSA-N 0 3 354.523 3.230 20 30 FGEDHN C=CCN1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000172119947 496173322 /nfs/dbraw/zinc/17/33/22/496173322.db2.gz SSSDPUAYBMCCJA-UHFFFAOYSA-N 0 3 358.467 3.458 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180897388 496190592 /nfs/dbraw/zinc/19/05/92/496190592.db2.gz AUZZPTLUCUFNAZ-IRXDYDNUSA-N 0 3 350.466 3.407 20 30 FGEDHN CN(C(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)C1(C#N)CCCCC1 ZINC000181204836 496310858 /nfs/dbraw/zinc/31/08/58/496310858.db2.gz CKOOVVHRWBWTDH-ICSRJNTNSA-N 0 3 369.509 3.429 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000172650751 496374490 /nfs/dbraw/zinc/37/44/90/496374490.db2.gz RQEXPUGSRZQHBY-UHFFFAOYSA-N 0 3 373.460 3.363 20 30 FGEDHN C=CCNc1ncc(C(=O)NC2CCN(CCc3ccccc3)CC2)s1 ZINC000178515439 496482822 /nfs/dbraw/zinc/48/28/22/496482822.db2.gz SJWJBHBSMZLYKV-UHFFFAOYSA-N 0 3 370.522 3.178 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CNCc1cccnc1-n1ccnc1 ZINC000187656156 496523078 /nfs/dbraw/zinc/52/30/78/496523078.db2.gz CRNHJDLLLDNIKU-UHFFFAOYSA-N 0 3 368.444 3.279 20 30 FGEDHN Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2NCCn1cnc(C#N)n1 ZINC000580849673 505852807 /nfs/dbraw/zinc/85/28/07/505852807.db2.gz PHNPLVSUFKKRKU-QGZVFWFLSA-N 0 3 353.470 3.259 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc([S@](C)=O)cc1)C(C)C ZINC000175749483 496527657 /nfs/dbraw/zinc/52/76/57/496527657.db2.gz ABAAHQJKYVVJHC-CJAUYULYSA-N 0 3 363.527 3.244 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCC)[C@@H]2C[C@@H](OCC)C2(C)C)CC1 ZINC000178669529 496533761 /nfs/dbraw/zinc/53/37/61/496533761.db2.gz SKMNKELTOJOKSX-QZTJIDSGSA-N 0 3 351.535 3.262 20 30 FGEDHN CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000164381834 496609206 /nfs/dbraw/zinc/60/92/06/496609206.db2.gz JYKVHXAMHSRSRP-UHFFFAOYSA-N 0 3 351.406 3.138 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000187965128 496633831 /nfs/dbraw/zinc/63/38/31/496633831.db2.gz YIWSEFJEXZLAAN-GHTZIAJQSA-N 0 3 374.525 3.231 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000187965220 496634113 /nfs/dbraw/zinc/63/41/13/496634113.db2.gz YIWSEFJEXZLAAN-NQIIRXRSSA-N 0 3 374.525 3.231 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000185111892 496665496 /nfs/dbraw/zinc/66/54/96/496665496.db2.gz VFNXPYROICQVHY-UHFFFAOYSA-N 0 3 358.482 3.351 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(CCO)C2CCCCC2)c1C ZINC000173378377 496666162 /nfs/dbraw/zinc/66/61/62/496666162.db2.gz ANGRCHSFEUAMPF-UHFFFAOYSA-N 0 3 357.498 3.177 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccncc2)c(OC)c1 ZINC000154070272 496673635 /nfs/dbraw/zinc/67/36/35/496673635.db2.gz IUSRHUQNVFJZNT-WOJBJXKFSA-N 0 3 368.477 3.396 20 30 FGEDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(C#N)cc1 ZINC000188097065 496682134 /nfs/dbraw/zinc/68/21/34/496682134.db2.gz XYIAGNVZHXBIFP-MRXNPFEDSA-N 0 3 369.490 3.291 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000264338638 496875606 /nfs/dbraw/zinc/87/56/06/496875606.db2.gz HSVBZBHEICMWIT-GOSISDBHSA-N 0 3 373.497 3.201 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000264358966 496880971 /nfs/dbraw/zinc/88/09/71/496880971.db2.gz NYKSVXSVXUAITJ-IBGZPJMESA-N 0 3 373.497 3.201 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000188764784 496902219 /nfs/dbraw/zinc/90/22/19/496902219.db2.gz MXHMAEQISWKYGV-UHFFFAOYSA-N 0 3 367.453 3.147 20 30 FGEDHN Cc1cc(C)c(C#N)c(NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000269372419 496931430 /nfs/dbraw/zinc/93/14/30/496931430.db2.gz SHSSPLUGPSWGOP-UHFFFAOYSA-N 0 3 350.466 3.139 20 30 FGEDHN C=CCc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc(OC)c1OC ZINC000264569673 496932160 /nfs/dbraw/zinc/93/21/60/496932160.db2.gz SDMHBIVHOUQFIX-SFHVURJKSA-N 0 3 358.482 3.133 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192144741 497011479 /nfs/dbraw/zinc/01/14/79/497011479.db2.gz JEIYZKZJNFHEKY-XLIONFOSSA-N 0 3 374.387 3.344 20 30 FGEDHN C=C[C@H](CC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)c1ccccc1 ZINC000248444513 497013778 /nfs/dbraw/zinc/01/37/78/497013778.db2.gz LYZKEHHOLWPRLU-XMSQKQJNSA-N 0 3 364.489 3.229 20 30 FGEDHN CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(C#N)cc1 ZINC000278257867 497054885 /nfs/dbraw/zinc/05/48/85/497054885.db2.gz NHXYNUTUCPFFSV-KUHUBIRLSA-N 0 3 357.479 3.268 20 30 FGEDHN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000248648470 497071613 /nfs/dbraw/zinc/07/16/13/497071613.db2.gz UQVZJIUXFBSAFT-GQIGUUNPSA-N 0 3 351.450 3.133 20 30 FGEDHN C#CC[C@H](NCCCS(=O)(=O)c1ccccc1OC)c1ccccc1 ZINC000274338205 497074374 /nfs/dbraw/zinc/07/43/74/497074374.db2.gz TWVXTHPTPKEFJH-SFHVURJKSA-N 0 3 357.475 3.213 20 30 FGEDHN N#CCOc1cccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000265234620 497078177 /nfs/dbraw/zinc/07/81/77/497078177.db2.gz VPSBWAAHYGEQEJ-IBGZPJMESA-N 0 3 364.449 3.375 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000248742089 497095065 /nfs/dbraw/zinc/09/50/65/497095065.db2.gz FEFPRAWSZACWKR-OXJNMPFZSA-N 0 3 365.502 3.287 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000248884699 497125947 /nfs/dbraw/zinc/12/59/47/497125947.db2.gz GZSMJJJUKYLCLJ-VQIMIIECSA-N 0 3 371.525 3.276 20 30 FGEDHN C=CCC[C@@H](C(=O)NC[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000189492006 497135720 /nfs/dbraw/zinc/13/57/20/497135720.db2.gz SICJOLSRCNFWMF-PZJWPPBQSA-N 0 3 357.542 3.126 20 30 FGEDHN C=CCC[C@@H](C(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000189492028 497136504 /nfs/dbraw/zinc/13/65/04/497136504.db2.gz SICJOLSRCNFWMF-TZIWHRDSSA-N 0 3 357.542 3.126 20 30 FGEDHN Cc1cnccc1OC1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000278536952 497146641 /nfs/dbraw/zinc/14/66/41/497146641.db2.gz FVGIJZUUFKDNPK-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN COc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000278650832 497179265 /nfs/dbraw/zinc/17/92/65/497179265.db2.gz MMEFLKXJCRPQDY-UHFFFAOYSA-N 0 3 365.412 3.296 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274895339 497192619 /nfs/dbraw/zinc/19/26/19/497192619.db2.gz FPWSYFRBDNGXMW-UHFFFAOYSA-N 0 3 350.466 3.006 20 30 FGEDHN C=C[C@@H](CC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000270830880 497210841 /nfs/dbraw/zinc/21/08/41/497210841.db2.gz CQPFPYSUKOSQCC-FQEVSTJZSA-N 0 3 369.553 3.363 20 30 FGEDHN CC[C@H](NCc1ccc(OC)c(OCCCC#N)c1)[C@@H](O)C(F)(F)F ZINC000271000070 497243705 /nfs/dbraw/zinc/24/37/05/497243705.db2.gz PSROXKZDAPEECM-XJKSGUPXSA-N 0 3 360.376 3.169 20 30 FGEDHN CC[C@H](NCc1ccc(OC)c(OCCCC#N)c1)[C@H](O)C(F)(F)F ZINC000271000064 497244001 /nfs/dbraw/zinc/24/40/01/497244001.db2.gz PSROXKZDAPEECM-BBRMVZONSA-N 0 3 360.376 3.169 20 30 FGEDHN CCCOc1cc(C)ccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000578232602 505893931 /nfs/dbraw/zinc/89/39/31/505893931.db2.gz ZJONHRXVKQRWLW-IBGZPJMESA-N 0 3 354.450 3.185 20 30 FGEDHN CN(Cc1ccc(N(C)CCC#N)cc1)C[C@H](O)COCc1ccccc1 ZINC000271117079 497267573 /nfs/dbraw/zinc/26/75/73/497267573.db2.gz CESZTJRGJLBKPV-QFIPXVFZSA-N 0 3 367.493 3.046 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCCc2cccc(Cl)c2)c1 ZINC000581066583 505902376 /nfs/dbraw/zinc/90/23/76/505902376.db2.gz QULUYFLUTGVFII-UHFFFAOYSA-N 0 3 362.882 3.208 20 30 FGEDHN CCO[C@H]1C[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000279377343 497422015 /nfs/dbraw/zinc/42/20/15/497422015.db2.gz JSBCWUHJMGKTCJ-OALUTQOASA-N 0 3 367.497 3.494 20 30 FGEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000279412939 497432837 /nfs/dbraw/zinc/43/28/37/497432837.db2.gz FBJVPRWRDIQGCV-DQLDELGASA-N 0 3 363.461 3.025 20 30 FGEDHN CN1CC=C(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000271927315 497489229 /nfs/dbraw/zinc/48/92/29/497489229.db2.gz SSZJLQPGMYZKPQ-UHFFFAOYSA-N 0 3 360.461 3.286 20 30 FGEDHN COc1ccc(OC)c([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000279816291 497552041 /nfs/dbraw/zinc/55/20/41/497552041.db2.gz XSLOHZHQVKPEJI-RHSMWYFYSA-N 0 3 363.417 3.135 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)C[C@@](C)(O)CC)CC1 ZINC000190727621 497587109 /nfs/dbraw/zinc/58/71/09/497587109.db2.gz LVKGGLRRYZPPDO-QFIPXVFZSA-N 0 3 373.541 3.400 20 30 FGEDHN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279986314 497610732 /nfs/dbraw/zinc/61/07/32/497610732.db2.gz KBPCSPIHFLTNPL-WOJBJXKFSA-N 0 3 373.456 3.485 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(Cl)cc3c2OCC3)cc1 ZINC000279995528 497613876 /nfs/dbraw/zinc/61/38/76/497613876.db2.gz KTGNSOYIHZKLMJ-MRXNPFEDSA-N 0 3 365.820 3.145 20 30 FGEDHN Cc1cccc([C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C(C)(C)C)c1 ZINC000575090395 505918806 /nfs/dbraw/zinc/91/88/06/505918806.db2.gz YFBNGJQGTFUTDF-IBGZPJMESA-N 0 3 371.506 3.412 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000575096992 505919931 /nfs/dbraw/zinc/91/99/31/505919931.db2.gz MUPPSXKWOSQORF-QUCCMNQESA-N 0 3 368.868 3.185 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)c1sccc1C#N)c1ccccc1O2 ZINC000194603663 497716402 /nfs/dbraw/zinc/71/64/02/497716402.db2.gz FRRPKECQGKXHHU-INIZCTEOSA-N 0 3 367.474 3.338 20 30 FGEDHN C=CCSCCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000194635185 497724837 /nfs/dbraw/zinc/72/48/37/497724837.db2.gz CMNISVFPNHXGSH-SFHVURJKSA-N 0 3 363.527 3.051 20 30 FGEDHN Cc1ccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000280408438 497743976 /nfs/dbraw/zinc/74/39/76/497743976.db2.gz LGQXKPZOQDCQAH-KBXCAEBGSA-N 0 3 362.389 3.335 20 30 FGEDHN COc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000277303933 497798751 /nfs/dbraw/zinc/79/87/51/497798751.db2.gz SCEODFULHURRCU-OXQOHEQNSA-N 0 3 363.461 3.327 20 30 FGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246734427 497806215 /nfs/dbraw/zinc/80/62/15/497806215.db2.gz JUQZWXDCXIHTNF-MOXGXCLJSA-N 0 3 354.425 3.315 20 30 FGEDHN C[C@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCN1Cc1ccccc1 ZINC000329568521 497831360 /nfs/dbraw/zinc/83/13/60/497831360.db2.gz LOAXXDLTJDAUCK-CTAFRAEOSA-N 0 3 358.482 3.049 20 30 FGEDHN Cc1sc2nc(CCC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)[nH]c(=O)c2c1C ZINC000329709569 497875863 /nfs/dbraw/zinc/87/58/63/497875863.db2.gz LQULDYJGGIQWJA-GXFFZTMASA-N 0 3 362.499 3.386 20 30 FGEDHN COCC(=O)N1CCc2c1cccc2NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000329840909 497922464 /nfs/dbraw/zinc/92/24/64/497922464.db2.gz NHROUHHQYONIIF-LJQANCHMSA-N 0 3 371.481 3.217 20 30 FGEDHN COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCCN3C3CC3)CC2=O)cc1 ZINC000329970404 497974935 /nfs/dbraw/zinc/97/49/35/497974935.db2.gz XECBENWXCPOKRQ-QAPCUYQASA-N 0 3 371.481 3.022 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296382868 498020887 /nfs/dbraw/zinc/02/08/87/498020887.db2.gz HUXZHXIGIVAFJO-QGZVKYPTSA-N 0 3 354.498 3.279 20 30 FGEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000285205965 498021444 /nfs/dbraw/zinc/02/14/44/498021444.db2.gz TVFAVGCVHMLWJX-APWZRJJASA-N 0 3 363.461 3.196 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000296400471 498028649 /nfs/dbraw/zinc/02/86/49/498028649.db2.gz IUGZJAYWLPKPSK-LCLWPZTBSA-N 0 3 354.498 3.421 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1 ZINC000296412414 498033493 /nfs/dbraw/zinc/03/34/93/498033493.db2.gz VGOFSGYSZKXPFF-QXAKKESOSA-N 0 3 373.884 3.134 20 30 FGEDHN C[C@@H]1CCN(c2nc3c(cc2C#N)COCC3)CCN1Cc1ccccc1 ZINC000581351268 505967866 /nfs/dbraw/zinc/96/78/66/505967866.db2.gz RZABCOZRTKWYSQ-QGZVFWFLSA-N 0 3 362.477 3.127 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000285265546 498037597 /nfs/dbraw/zinc/03/75/97/498037597.db2.gz JGPXGEMGMXSIHK-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN CS[C@@H]1CN(C(=O)Nc2c(C)noc2-c2ccccc2)C[C@@H]1N(C)C ZINC000330161827 498045560 /nfs/dbraw/zinc/04/55/60/498045560.db2.gz RZUVYTUCPLVJEH-LSDHHAIUSA-N 0 3 360.483 3.173 20 30 FGEDHN CC(C)[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000301337862 498063047 /nfs/dbraw/zinc/06/30/47/498063047.db2.gz DLNOSXCQXRAGAV-KRWDZBQOSA-N 0 3 354.420 3.261 20 30 FGEDHN CS[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H]1N(C)C ZINC000569602291 505974098 /nfs/dbraw/zinc/97/40/98/505974098.db2.gz OJFWUELRQMINRM-OLZOCXBDSA-N 0 3 366.412 3.006 20 30 FGEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330250537 498078921 /nfs/dbraw/zinc/07/89/21/498078921.db2.gz GYIAMUJLQWRZJJ-XVYZPYKRSA-N 0 3 363.502 3.371 20 30 FGEDHN Cn1nccc1C1=CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000285491344 498104672 /nfs/dbraw/zinc/10/46/72/498104672.db2.gz DNTPPQVEXSHPIT-UHFFFAOYSA-N 0 3 369.856 3.063 20 30 FGEDHN Cn1cc(-c2ccc(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)s2)cn1 ZINC000292686480 498109135 /nfs/dbraw/zinc/10/91/35/498109135.db2.gz BCINJBNPBQPYAS-INIZCTEOSA-N 0 3 365.462 3.069 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000296606251 498118300 /nfs/dbraw/zinc/11/83/00/498118300.db2.gz DVVXHXNRYCCUCR-JKSUJKDBSA-N 0 3 356.470 3.316 20 30 FGEDHN CC(C)c1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)nn1C(C)(C)C ZINC000330409760 498127901 /nfs/dbraw/zinc/12/79/01/498127901.db2.gz KIHBQGHCFXHTJF-UHFFFAOYSA-N 0 3 363.550 3.092 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)C(C#N)CCc1ccccc1 ZINC000330689378 498174734 /nfs/dbraw/zinc/17/47/34/498174734.db2.gz VSNGHAMOXJBAMI-ZIFCJYIRSA-N 0 3 369.509 3.253 20 30 FGEDHN COc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c(Br)c1 ZINC000330777412 498191864 /nfs/dbraw/zinc/19/18/64/498191864.db2.gz ADJRLNGBTHCDIB-LLVKDONJSA-N 0 3 368.275 3.434 20 30 FGEDHN CCCN(CCN1CCCC1)CC(=O)Nc1ccccc1SCC#N ZINC000286001862 498265303 /nfs/dbraw/zinc/26/53/03/498265303.db2.gz OXIWWZVMHLEKLE-UHFFFAOYSA-N 0 3 360.527 3.049 20 30 FGEDHN CC1(C#N)CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000360643179 498293267 /nfs/dbraw/zinc/29/32/67/498293267.db2.gz SHMQRHHKECUIJV-IBGZPJMESA-N 0 3 354.498 3.234 20 30 FGEDHN CCN1CC[C@@H](NCc2cc(C#N)n(C)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000365129846 498313218 /nfs/dbraw/zinc/31/32/18/498313218.db2.gz DNYDPPPKUHQCFZ-MJGOQNOKSA-N 0 3 362.399 3.239 20 30 FGEDHN N#C[C@@H]1CCC[C@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000331410066 498322267 /nfs/dbraw/zinc/32/22/67/498322267.db2.gz JEMYJJVHUDTUQI-JZXOWHBKSA-N 0 3 365.399 3.249 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ncoc2-c2ccc(OC)cc2)CC1 ZINC000289857679 498324952 /nfs/dbraw/zinc/32/49/52/498324952.db2.gz GGUNKZFFYIWGHM-UHFFFAOYSA-N 0 3 355.438 3.121 20 30 FGEDHN C=CCC[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccco1 ZINC000286217671 498328386 /nfs/dbraw/zinc/32/83/86/498328386.db2.gz SGLJLGDKGXTIRN-ZDUSSCGKSA-N 0 3 366.405 3.191 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000365181413 498339317 /nfs/dbraw/zinc/33/93/17/498339317.db2.gz STXOBFLCRRJMLE-PWIZWCRZSA-N 0 3 355.482 3.096 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000289920002 498352981 /nfs/dbraw/zinc/35/29/81/498352981.db2.gz VBSVVKPMGFLATC-MLGOLLRUSA-N 0 3 361.467 3.025 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CCC[C@@H]2CCO)ccc1Cl ZINC000286322220 498362410 /nfs/dbraw/zinc/36/24/10/498362410.db2.gz WPUDCBKZKCAIBG-QAPCUYQASA-N 0 3 363.889 3.036 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCC[C@H]2CCO)c1 ZINC000286390740 498382473 /nfs/dbraw/zinc/38/24/73/498382473.db2.gz ZODNDKMKGBNBGF-BJLQDIEVSA-N 0 3 357.498 3.079 20 30 FGEDHN COc1ccc(N2CCN(CCCC3(C#N)CCOCC3)CC2)cc1F ZINC000282096894 498383237 /nfs/dbraw/zinc/38/32/37/498383237.db2.gz VSFDKQLHMANAHI-UHFFFAOYSA-N 0 3 361.461 3.057 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000361389204 498384386 /nfs/dbraw/zinc/38/43/86/498384386.db2.gz IJFFXUAOKVSOPV-JOCHJYFZSA-N 0 3 362.477 3.025 20 30 FGEDHN CCCc1nc(C)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)o1 ZINC000293471843 498396743 /nfs/dbraw/zinc/39/67/43/498396743.db2.gz 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ZINC000328726150 498916303 /nfs/dbraw/zinc/91/63/03/498916303.db2.gz ZMOKAJNUOKGGHU-KSZLIROESA-N 0 3 352.519 3.021 20 30 FGEDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cn2c(n1)CCCC2 ZINC000328730242 498918089 /nfs/dbraw/zinc/91/80/89/498918089.db2.gz WIKWUTILERGPAJ-HNNXBMFYSA-N 0 3 358.511 3.498 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)CCN1C ZINC000328729571 498918284 /nfs/dbraw/zinc/91/82/84/498918284.db2.gz WCSWCGUKVMYZEX-FMKPAKJESA-N 0 3 374.510 3.066 20 30 FGEDHN C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)C(=O)NCCN1CCCCC1 ZINC000328786794 498939320 /nfs/dbraw/zinc/93/93/20/498939320.db2.gz OUHZJCDVFOLZCH-WBVHZDCISA-N 0 3 359.470 3.025 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000291487451 498961069 /nfs/dbraw/zinc/96/10/69/498961069.db2.gz LDRZJZNABNQEER-UHFFFAOYSA-N 0 3 355.482 3.171 20 30 FGEDHN C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000295283080 498965044 /nfs/dbraw/zinc/96/50/44/498965044.db2.gz HXBRGRUVYQOBNK-KRWDZBQOSA-N 0 3 355.482 3.050 20 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/nfs/dbraw/zinc/08/57/41/499085741.db2.gz DKPUUADVVKQSBY-FUHWJXTLSA-N 0 3 362.518 3.030 20 30 FGEDHN Cc1cc(N2C[C@H](C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2=O)ccc1F ZINC000329339064 499103367 /nfs/dbraw/zinc/10/33/67/499103367.db2.gz NMYLZLFADAKYBK-GOEBONIOSA-N 0 3 359.445 3.094 20 30 FGEDHN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000329355575 499107065 /nfs/dbraw/zinc/10/70/65/499107065.db2.gz VUGFCSQUWFKPNU-FXAWDEMLSA-N 0 3 369.509 3.075 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCCN1Cc1ccccc1 ZINC000329402142 499115390 /nfs/dbraw/zinc/11/53/90/499115390.db2.gz BQYITDWTKARAPZ-DBXWQHBBSA-N 0 3 370.497 3.006 20 30 FGEDHN CN1CC[C@@H](NCc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)cc1 ZINC000366935292 499118618 /nfs/dbraw/zinc/11/86/18/499118618.db2.gz SPCZMHSVTQDPMA-QUCCMNQESA-N 0 3 365.868 3.394 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000329454409 499123970 /nfs/dbraw/zinc/12/39/70/499123970.db2.gz POVPZAKRVQSQJB-SSAUXNHXSA-N 0 3 373.541 3.102 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000329511613 499128710 /nfs/dbraw/zinc/12/87/10/499128710.db2.gz KQPYRIWUFXHBRY-HXUWFJFHSA-N 0 3 368.481 3.309 20 30 FGEDHN CN(C)c1noc(C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000372495609 499134534 /nfs/dbraw/zinc/13/45/34/499134534.db2.gz HHGOOLUAIREUHC-UHFFFAOYSA-N 0 3 353.470 3.316 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CCc1ccc(C#N)cc1 ZINC000372524205 499139145 /nfs/dbraw/zinc/13/91/45/499139145.db2.gz UKCMVRFYGDLHIX-UNMCSNQZSA-N 0 3 362.477 3.037 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000372543330 499144078 /nfs/dbraw/zinc/14/40/78/499144078.db2.gz RIMDTOJOBZWSEG-UHFFFAOYSA-N 0 3 355.482 3.052 20 30 FGEDHN C[C@@]1(CNC(=O)c2ccccc2OCC#N)CCN(Cc2ccccc2)C1 ZINC000367206081 499161279 /nfs/dbraw/zinc/16/12/79/499161279.db2.gz OCQWCPAJKXQMQM-QFIPXVFZSA-N 0 3 363.461 3.231 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)onc1-c1cccnc1)C(C)C ZINC000367224506 499164179 /nfs/dbraw/zinc/16/41/79/499164179.db2.gz ONNFPRCDMLLNGS-GOSISDBHSA-N 0 3 368.481 3.473 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Cc3cccnc3)CC2)CC1 ZINC000367542948 499210872 /nfs/dbraw/zinc/21/08/72/499210872.db2.gz VVBCRWVLKRFHGY-UHFFFAOYSA-N 0 3 356.514 3.086 20 30 FGEDHN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CCN(c2ccncc2)CC1 ZINC000367771777 499232532 /nfs/dbraw/zinc/23/25/32/499232532.db2.gz WPXSZDNNQMXPLB-UHFFFAOYSA-N 0 3 360.461 3.378 20 30 FGEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCc3cnn(CCOC)c32)cc1 ZINC000368357735 499288563 /nfs/dbraw/zinc/28/85/63/499288563.db2.gz NDVFONZTYXQRAZ-JXFKEZNVSA-N 0 3 353.466 3.270 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H]2Cn2nc(C)nc2C)cc1OC ZINC000371411027 499322973 /nfs/dbraw/zinc/32/29/73/499322973.db2.gz VSNMSVLLNIVQNL-GOSISDBHSA-N 0 3 356.470 3.133 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000369077791 499363404 /nfs/dbraw/zinc/36/34/04/499363404.db2.gz WTTWSHJJBYMGGV-GOSISDBHSA-N 0 3 367.497 3.477 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000369104909 499365938 /nfs/dbraw/zinc/36/59/38/499365938.db2.gz NASRGXHLTVPPJD-QFIPXVFZSA-N 0 3 361.489 3.249 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000369155693 499371840 /nfs/dbraw/zinc/37/18/40/499371840.db2.gz DTUBJQLMANQHAN-JOCHJYFZSA-N 0 3 373.456 3.379 20 30 FGEDHN C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371999484 499388353 /nfs/dbraw/zinc/38/83/53/499388353.db2.gz SWOFCDWXMDZDIF-BBRMVZONSA-N 0 3 369.494 3.088 20 30 FGEDHN Cc1nnc([C@@H]2CC23CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC3)o1 ZINC000369415492 499401324 /nfs/dbraw/zinc/40/13/24/499401324.db2.gz ADDIUBWPYXTKHP-KSSFIOAISA-N 0 3 352.438 3.439 20 30 FGEDHN CN1CC[C@H](CNC(=O)Cc2ccc(OCC#N)cc2)[C@H]1c1cccs1 ZINC000369565596 499418935 /nfs/dbraw/zinc/41/89/35/499418935.db2.gz ZIOFRFGNKNGQPB-UZLBHIALSA-N 0 3 369.490 3.002 20 30 FGEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000369665913 499433788 /nfs/dbraw/zinc/43/37/88/499433788.db2.gz ULLHNTIAJFDTHF-CYBMUJFWSA-N 0 3 353.388 3.267 20 30 FGEDHN COc1ccc(CC(=O)N2CCCN(CCCCC(C)(C)C#N)CC2)cc1 ZINC000373118573 499452208 /nfs/dbraw/zinc/45/22/08/499452208.db2.gz STLZCODEYPGXMZ-UHFFFAOYSA-N 0 3 371.525 3.492 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000373299243 499462236 /nfs/dbraw/zinc/46/22/36/499462236.db2.gz DMGLKUMCTAFXEM-RDJZCZTQSA-N 0 3 360.527 3.466 20 30 FGEDHN COc1ccc([C@H]2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000373407732 499467905 /nfs/dbraw/zinc/46/79/05/499467905.db2.gz ZTOJOMCKNNVQSQ-PMACEKPBSA-N 0 3 359.429 3.265 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000373525953 499475040 /nfs/dbraw/zinc/47/50/40/499475040.db2.gz GPRCMRVDTPTWDO-IRLDBZIGSA-N 0 3 369.553 3.222 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2NCc2ccn(Cc3ccccc3)n2)O1 ZINC000375314656 499506477 /nfs/dbraw/zinc/50/64/77/499506477.db2.gz VBUFXTIYDDFGIK-CGXNFDGLSA-N 0 3 350.466 3.261 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(F)(c2cccnc2)CC1 ZINC000375337826 499508368 /nfs/dbraw/zinc/50/83/68/499508368.db2.gz OQNWOGWMXGXTFF-UHFFFAOYSA-N 0 3 352.413 3.243 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378645670 499540538 /nfs/dbraw/zinc/54/05/38/499540538.db2.gz NTFYFSBRGMTTGJ-INIZCTEOSA-N 0 3 359.426 3.241 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(C2CC2)CCOCC1 ZINC000376717097 499631490 /nfs/dbraw/zinc/63/14/90/499631490.db2.gz PTWKPTLAEOZASQ-OAHLLOKOSA-N 0 3 373.522 3.426 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC(c2nc(C)cc(C)n2)CC1 ZINC000377002098 499653284 /nfs/dbraw/zinc/65/32/84/499653284.db2.gz SVKCHRAGDNKCIQ-UHFFFAOYSA-N 0 3 366.465 3.232 20 30 FGEDHN N#CC1(CCN2CCN(CCCOCC(F)(F)F)CC2)CCCCC1 ZINC000411180396 499707424 /nfs/dbraw/zinc/70/74/24/499707424.db2.gz CCQDWJKJMALUBO-UHFFFAOYSA-N 0 3 361.452 3.437 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000576434968 506157263 /nfs/dbraw/zinc/15/72/63/506157263.db2.gz QMBBUYFNSRZBRT-JKSUJKDBSA-N 0 3 373.476 3.101 20 30 FGEDHN COC(=O)[C@@H](C)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411389938 499733064 /nfs/dbraw/zinc/73/30/64/499733064.db2.gz MXJJHLLKYIGGIF-MGPUTAFESA-N 0 3 365.433 3.027 20 30 FGEDHN CCOC(=O)c1ccn(-c2cccc(CNCc3cccc(C#N)c3)c2)n1 ZINC000377894231 499746083 /nfs/dbraw/zinc/74/60/83/499746083.db2.gz LPAVQXMRNXCASN-UHFFFAOYSA-N 0 3 360.417 3.210 20 30 FGEDHN CO[C@@H]([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000414183585 499766756 /nfs/dbraw/zinc/76/67/56/499766756.db2.gz NIFJEFFZJMJQPZ-HLIPFELVSA-N 0 3 357.498 3.342 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411791384 499791277 /nfs/dbraw/zinc/79/12/77/499791277.db2.gz PIWOMIUNWPMCQM-UXHICEINSA-N 0 3 354.450 3.132 20 30 FGEDHN COc1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1Cl ZINC000412023730 499813744 /nfs/dbraw/zinc/81/37/44/499813744.db2.gz AIRHTUJCJKKPMS-MRXNPFEDSA-N 0 3 360.841 3.092 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000413182061 499923454 /nfs/dbraw/zinc/92/34/54/499923454.db2.gz RRFGUDSFBXDFNB-IRLDBZIGSA-N 0 3 365.452 3.333 20 30 FGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C(C)C)[C@H](C)c2ccccc2)CC1 ZINC000428871555 499951616 /nfs/dbraw/zinc/95/16/16/499951616.db2.gz JQULKOBVZPAEKR-CTNGQTDRSA-N 0 3 370.541 3.150 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000421096440 499952218 /nfs/dbraw/zinc/95/22/18/499952218.db2.gz XYRNLQXRGUPFDY-AWEZNQCLSA-N 0 3 370.375 3.057 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413440989 499957791 /nfs/dbraw/zinc/95/77/91/499957791.db2.gz SKQATTOJBMWMBO-SFHVURJKSA-N 0 3 359.514 3.058 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000421115471 499960785 /nfs/dbraw/zinc/96/07/85/499960785.db2.gz HKAQKNXWDOWEEE-ZDUSSCGKSA-N 0 3 356.348 3.015 20 30 FGEDHN Cc1c(Cl)cnc(NCC2(O)CCN(Cc3ccccc3)CC2)c1C#N ZINC000413579933 499996324 /nfs/dbraw/zinc/99/63/24/499996324.db2.gz KUEGITMAFRSUDZ-UHFFFAOYSA-N 0 3 370.884 3.354 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429309854 500049736 /nfs/dbraw/zinc/04/97/36/500049736.db2.gz SBZANKGKVQEPKV-GDBMZVCRSA-N 0 3 356.491 3.114 20 30 FGEDHN C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N1CCC(C)CC1 ZINC000416695137 500089801 /nfs/dbraw/zinc/08/98/01/500089801.db2.gz UDOKHQAVFOOZFV-OXQOHEQNSA-N 0 3 354.498 3.355 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413906422 500092785 /nfs/dbraw/zinc/09/27/85/500092785.db2.gz YOHCLIWSWNMDMB-AWEZNQCLSA-N 0 3 371.412 3.044 20 30 FGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000429704590 500127034 /nfs/dbraw/zinc/12/70/34/500127034.db2.gz AMBBSCGTINABHO-CQSZACIVSA-N 0 3 357.420 3.472 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429777643 500143136 /nfs/dbraw/zinc/14/31/36/500143136.db2.gz WHANGFIGSKCPDH-VHSSKADRSA-N 0 3 367.896 3.283 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CC)[C@H](C)CO)cc1OC ZINC000430107728 500193829 /nfs/dbraw/zinc/19/38/29/500193829.db2.gz XYRISLFWLVWJCT-GFCCVEGCSA-N 0 3 358.276 3.225 20 30 FGEDHN COCCCOc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430183824 500205696 /nfs/dbraw/zinc/20/56/96/500205696.db2.gz ZOIRFHKUTAWVAW-FQEVSTJZSA-N 0 3 367.449 3.022 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@H](c2ccccc2)N(C)C1=O)C(C)C ZINC000430905978 500304896 /nfs/dbraw/zinc/30/48/96/500304896.db2.gz HCZBKKZBAXFXEX-MOPGFXCFSA-N 0 3 355.482 3.320 20 30 FGEDHN C=C(C)Cn1c(CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000576573888 506190260 /nfs/dbraw/zinc/19/02/60/506190260.db2.gz YILCLCQUMDFCSY-UHFFFAOYSA-N 0 3 364.497 3.001 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)[C@H](C(F)(F)F)C1 ZINC000431721368 500414590 /nfs/dbraw/zinc/41/45/90/500414590.db2.gz HDOMZINPDHIWMR-RBSFLKMASA-N 0 3 371.378 3.415 20 30 FGEDHN CCOc1ccc(CCC2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cc1 ZINC000424065619 500446222 /nfs/dbraw/zinc/44/62/22/500446222.db2.gz LXTDUGNANTVPGV-FQEVSTJZSA-N 0 3 357.498 3.278 20 30 FGEDHN Cc1sc(CNC(=O)[C@@H](N)CCCC#N)nc1-c1ccc(Cl)cc1 ZINC000424090641 500450976 /nfs/dbraw/zinc/45/09/76/500450976.db2.gz CIGHNXLGICSQIX-AWEZNQCLSA-N 0 3 362.886 3.409 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000424099542 500452982 /nfs/dbraw/zinc/45/29/82/500452982.db2.gz MTVQBNBLKBAOAU-GFCCVEGCSA-N 0 3 366.393 3.371 20 30 FGEDHN COc1ccc(COCc2cccc(NC(=O)[C@H](N)CCCC#N)c2)cc1 ZINC000424106140 500454164 /nfs/dbraw/zinc/45/41/64/500454164.db2.gz LOYFBKHTZLJWFB-HXUWFJFHSA-N 0 3 367.449 3.372 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000424109552 500455250 /nfs/dbraw/zinc/45/52/50/500455250.db2.gz VOURSZRZBOUHTA-HXUWFJFHSA-N 0 3 351.450 3.406 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000424114641 500456102 /nfs/dbraw/zinc/45/61/02/500456102.db2.gz RQMQUWQKWDDVGV-NSHDSACASA-N 0 3 366.393 3.371 20 30 FGEDHN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)[C@H](N)CCCC#N)cc3)ccc2O1 ZINC000424166737 500462463 /nfs/dbraw/zinc/46/24/63/500462463.db2.gz GLOUWYUKMINIEA-FOIQADDNSA-N 0 3 363.461 3.314 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000424174822 500463345 /nfs/dbraw/zinc/46/33/45/500463345.db2.gz POLLKUODVYHCNC-INIZCTEOSA-N 0 3 353.388 3.433 20 30 FGEDHN C[C@]1(CNC(=O)CNc2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000428327733 500496028 /nfs/dbraw/zinc/49/60/28/500496028.db2.gz UUPGYCPTUXLENV-JOCHJYFZSA-N 0 3 362.477 3.141 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccsc1 ZINC000432399746 500510677 /nfs/dbraw/zinc/51/06/77/500510677.db2.gz IGSIMZINTWMDNR-LJQANCHMSA-N 0 3 370.522 3.499 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@]3(C)[C@H](C2)C3(F)F)c(OC)c1 ZINC000428715625 500547683 /nfs/dbraw/zinc/54/76/83/500547683.db2.gz GSPUJDMNYOLSGI-AYOQOUSVSA-N 0 3 367.436 3.141 20 30 FGEDHN COC(=O)C1(NC(=O)CN[C@H](CCCC#N)c2ccccc2)CCCCC1 ZINC000433024064 500608642 /nfs/dbraw/zinc/60/86/42/500608642.db2.gz VHZVLGTZXVNUCJ-GOSISDBHSA-N 0 3 371.481 3.003 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000433109100 500627430 /nfs/dbraw/zinc/62/74/30/500627430.db2.gz CHEYVYUFNFXOSX-SFHVURJKSA-N 0 3 351.425 3.247 20 30 FGEDHN COc1ccc(OCCN(C)C(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433121031 500630925 /nfs/dbraw/zinc/63/09/25/500630925.db2.gz QJDAZPHHYBUHOX-GOSISDBHSA-N 0 3 352.434 3.305 20 30 FGEDHN COC[C@H](NCc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCO1 ZINC000433207896 500647734 /nfs/dbraw/zinc/64/77/34/500647734.db2.gz LKJCMCICSVVSPP-FCHUYYIVSA-N 0 3 366.461 3.421 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CCCO)cc1OCC ZINC000442962076 500653956 /nfs/dbraw/zinc/65/39/56/500653956.db2.gz DIRLWBNAVCJGPG-UHFFFAOYSA-N 0 3 358.276 3.227 20 30 FGEDHN CO[C@H](C)c1nc(CN2CCCN(CCCSCC#N)CC2)cs1 ZINC000437546451 500658634 /nfs/dbraw/zinc/65/86/34/500658634.db2.gz MNROUPSKNUBITL-OAHLLOKOSA-N 0 3 368.572 3.005 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433310301 500669268 /nfs/dbraw/zinc/66/92/68/500669268.db2.gz BFIOGXJNPSJFDH-MJGOQNOKSA-N 0 3 356.853 3.441 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000437656190 500677095 /nfs/dbraw/zinc/67/70/95/500677095.db2.gz HXNAAEBMZKBGGE-AQNXPRMDSA-N 0 3 357.498 3.104 20 30 FGEDHN CC(C)[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000438500528 500793717 /nfs/dbraw/zinc/79/37/17/500793717.db2.gz QTZDPSQJAGDIHG-INIZCTEOSA-N 0 3 352.400 3.151 20 30 FGEDHN C=CCN(CCN(C)c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000444258533 500825014 /nfs/dbraw/zinc/82/50/14/500825014.db2.gz TYXANOBXTVHOMZ-GOSISDBHSA-N 0 3 362.481 3.348 20 30 FGEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(N2CCOCC2)c1 ZINC000602568248 506218773 /nfs/dbraw/zinc/21/87/73/506218773.db2.gz IJJCJJOTCDLVRR-GOSISDBHSA-N 0 3 357.498 3.020 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434355835 500831231 /nfs/dbraw/zinc/83/12/31/500831231.db2.gz QSKZYLXMYBPDTB-HXUWFJFHSA-N 0 3 352.482 3.273 20 30 FGEDHN CCOC(=O)CC1(NCC(=O)Nc2cc(Cl)ccc2C#N)CCCC1 ZINC000434621171 500867552 /nfs/dbraw/zinc/86/75/52/500867552.db2.gz PXNJNMIUSIXEKW-UHFFFAOYSA-N 0 3 363.845 3.006 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(OC)cc3)cn2)CC1 ZINC000448923829 500870461 /nfs/dbraw/zinc/87/04/61/500870461.db2.gz WATOQDIDRBRWTL-UHFFFAOYSA-N 0 3 367.449 3.263 20 30 FGEDHN Cn1c(C#N)ccc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000448927643 500871369 /nfs/dbraw/zinc/87/13/69/500871369.db2.gz IYLGJQQHKUBIKG-UHFFFAOYSA-N 0 3 370.884 3.288 20 30 FGEDHN CCOc1ccc([C@@H](C)NC(=O)CCCNCc2cccc(C#N)n2)cc1 ZINC000602576331 506222445 /nfs/dbraw/zinc/22/24/45/506222445.db2.gz LVBHPGVTMUNMEM-MRXNPFEDSA-N 0 3 366.465 3.099 20 30 FGEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000439699824 500928555 /nfs/dbraw/zinc/92/85/55/500928555.db2.gz ZKWBSCGGEHIBLC-SFHVURJKSA-N 0 3 357.498 3.342 20 30 FGEDHN C=CCCCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449291724 500968507 /nfs/dbraw/zinc/96/85/07/500968507.db2.gz NTXWNTQVLDTXBK-GFCCVEGCSA-N 0 3 355.276 3.018 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc(OC)c1OC ZINC000440138123 500979897 /nfs/dbraw/zinc/97/98/97/500979897.db2.gz VLLSZOJTZVJHLS-IBGZPJMESA-N 0 3 372.509 3.456 20 30 FGEDHN C=CCC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccccc1 ZINC000435762169 501024607 /nfs/dbraw/zinc/02/46/07/501024607.db2.gz NQKBDSABHIILRH-PMACEKPBSA-N 0 3 359.514 3.446 20 30 FGEDHN COc1cc(CNCCc2ccn(-c3ccc(F)cc3)n2)ccc1C#N ZINC000440815205 501051845 /nfs/dbraw/zinc/05/18/45/501051845.db2.gz HNZPEYHISMBLJG-UHFFFAOYSA-N 0 3 350.397 3.224 20 30 FGEDHN C=CCC[C@H](CO)NCc1cn(-c2ccc(Br)cc2)nc1C ZINC000449695038 501064218 /nfs/dbraw/zinc/06/42/18/501064218.db2.gz DIOXWTVOGNIMPR-MRXNPFEDSA-N 0 3 364.287 3.360 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](O)C2)cc1OCC ZINC000449749029 501074776 /nfs/dbraw/zinc/07/47/76/501074776.db2.gz OHZGVOLDTQYBAB-BETUJISGSA-N 0 3 356.260 3.026 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)n2C)CCN1Cc1ccccc1 ZINC000449907879 501123264 /nfs/dbraw/zinc/12/32/64/501123264.db2.gz QLDXFRGLSVVURC-WMZOPIPTSA-N 0 3 350.466 3.022 20 30 FGEDHN CS[C@H]1CN(c2nc3ccccc3c(C)c2C#N)C[C@H]1N1CCCC1 ZINC000450450317 501124717 /nfs/dbraw/zinc/12/47/17/501124717.db2.gz CITHBAXQBZRTCH-MOPGFXCFSA-N 0 3 352.507 3.431 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3nccc4c(N)cccc43)CC2)cc1 ZINC000596063371 506236174 /nfs/dbraw/zinc/23/61/74/506236174.db2.gz QCEIUYFOLWBWFW-UHFFFAOYSA-N 0 3 357.461 3.401 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1Br ZINC000450060735 501168130 /nfs/dbraw/zinc/16/81/30/501168130.db2.gz KAXNNSJAULXWGD-KGLIPLIRSA-N 0 3 362.271 3.020 20 30 FGEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCCN1C ZINC000442065786 501194839 /nfs/dbraw/zinc/19/48/39/501194839.db2.gz WQASNWQKOIDVJZ-GXFFZTMASA-N 0 3 356.348 3.061 20 30 FGEDHN CC1(C)C[C@]1(CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000596071401 506240436 /nfs/dbraw/zinc/24/04/36/506240436.db2.gz YKTKMVSTQYILRA-NRFANRHFSA-N 0 3 368.502 3.289 20 30 FGEDHN N#Cc1cc(NC(=O)NCCN2CCCCC2)ccc1OC(F)(F)F ZINC000442186224 501205445 /nfs/dbraw/zinc/20/54/45/501205445.db2.gz CKHIVLDTSCALLL-UHFFFAOYSA-N 0 3 356.348 3.064 20 30 FGEDHN Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000451086590 501244544 /nfs/dbraw/zinc/24/45/44/501244544.db2.gz MWMANSQAEBRDAG-GOSISDBHSA-N 0 3 355.463 3.216 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000451471293 501300453 /nfs/dbraw/zinc/30/04/53/501300453.db2.gz PFHZYWSAQMFGBK-CFGMGRTJSA-N 0 3 373.522 3.280 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000455436315 501301834 /nfs/dbraw/zinc/30/18/34/501301834.db2.gz RTMCVRZPJVSISD-SXLOBPIMSA-N 0 3 357.498 3.026 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451503629 501308048 /nfs/dbraw/zinc/30/80/48/501308048.db2.gz QZFPGMXBKKANIX-OPYAIIAOSA-N 0 3 357.498 3.014 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN([C@H]3CCc4ccc(C#N)cc43)CC2)c1 ZINC000453297179 501310372 /nfs/dbraw/zinc/31/03/72/501310372.db2.gz ZBEPSDBBOLGYAY-FQEVSTJZSA-N 0 3 364.449 3.256 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000451594702 501333160 /nfs/dbraw/zinc/33/31/60/501333160.db2.gz BPYQXACPPUFDHN-TZCMFKBTSA-N 0 3 357.281 3.492 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000451604375 501335161 /nfs/dbraw/zinc/33/51/61/501335161.db2.gz AGJIKYXWYUEPKJ-LVCYWYKZSA-N 0 3 370.518 3.449 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000455770587 501382841 /nfs/dbraw/zinc/38/28/41/501382841.db2.gz XYISTHNDCQTAOW-DYVFJYSZSA-N 0 3 369.856 3.391 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)CN1CCCC1 ZINC000452100002 501434535 /nfs/dbraw/zinc/43/45/35/501434535.db2.gz YFEDNPGPFQOGFF-MRXNPFEDSA-N 0 3 374.554 3.483 20 30 FGEDHN CC(C)(NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596097909 506257627 /nfs/dbraw/zinc/25/76/27/506257627.db2.gz JSLDFGRZHDFKQV-FQEVSTJZSA-N 0 3 362.477 3.367 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456478254 501534086 /nfs/dbraw/zinc/53/40/86/501534086.db2.gz NLZABUXFTQPADN-AZUAARDMSA-N 0 3 352.409 3.498 20 30 FGEDHN N#CCc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)c(Cl)c1 ZINC000452647314 501537481 /nfs/dbraw/zinc/53/74/81/501537481.db2.gz QEDPOHJSABLMEP-UHFFFAOYSA-N 0 3 361.873 3.380 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000454460325 501550699 /nfs/dbraw/zinc/55/06/99/501550699.db2.gz HUENNFCQBFUOMR-HNNXBMFYSA-N 0 3 367.415 3.431 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000602681993 506260201 /nfs/dbraw/zinc/26/02/01/506260201.db2.gz OXZBBUXTIPMZQK-ZJPYXAASSA-N 0 3 360.502 3.069 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000459034732 501580528 /nfs/dbraw/zinc/58/05/28/501580528.db2.gz SKAWDFXTBKCXIT-NBYUQASBSA-N 0 3 357.498 3.024 20 30 FGEDHN CCOc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000459297073 501626428 /nfs/dbraw/zinc/62/64/28/501626428.db2.gz FDQFEJOWOCYPHF-UHFFFAOYSA-N 0 3 365.477 3.370 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454814549 501636015 /nfs/dbraw/zinc/63/60/15/501636015.db2.gz YIZAHOJAPGQRCI-YWZLYKJASA-N 0 3 366.440 3.017 20 30 FGEDHN C=CCC1(CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCCC1 ZINC000454829497 501638666 /nfs/dbraw/zinc/63/86/66/501638666.db2.gz YKOPIZLJLYCUAX-HXUWFJFHSA-N 0 3 371.525 3.189 20 30 FGEDHN C=CCC[C@H](NCCN1C(=O)N[C@@H](C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000459393407 501645651 /nfs/dbraw/zinc/64/56/51/501645651.db2.gz YEKXRDNBLCGBOU-WFASDCNBSA-N 0 3 369.387 3.243 20 30 FGEDHN C=CCOCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459499799 501664456 /nfs/dbraw/zinc/66/44/56/501664456.db2.gz CGXWNHSQOMPMQD-UHFFFAOYSA-N 0 3 363.933 3.129 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1C#N ZINC000459552103 501674959 /nfs/dbraw/zinc/67/49/59/501674959.db2.gz QYPHEKAYHDOJLQ-MRXNPFEDSA-N 0 3 355.467 3.282 20 30 FGEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@H](C)CCCc2cccnc2)c(C#N)c1C ZINC000459638729 501691264 /nfs/dbraw/zinc/69/12/64/501691264.db2.gz JHKCSVNLGQTEHX-UKRRQHHQSA-N 0 3 354.454 3.491 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)CCCc2cccnc2)c(C#N)c1C ZINC000459638729 501691267 /nfs/dbraw/zinc/69/12/67/501691267.db2.gz JHKCSVNLGQTEHX-UKRRQHHQSA-N 0 3 354.454 3.491 20 30 FGEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000481388110 501759601 /nfs/dbraw/zinc/75/96/01/501759601.db2.gz CYIKZFQVPGAZIY-YOEHRIQHSA-N 0 3 352.400 3.294 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccco1 ZINC000588339845 506273145 /nfs/dbraw/zinc/27/31/45/506273145.db2.gz RFQZMTCNFBXBOB-DYVFJYSZSA-N 0 3 358.417 3.219 20 30 FGEDHN CCCN(CCN1CCCCCC1)C(=O)NCCc1cccc(C#N)c1 ZINC000460768229 501916457 /nfs/dbraw/zinc/91/64/57/501916457.db2.gz LHFBBGMZNROKHW-UHFFFAOYSA-N 0 3 356.514 3.398 20 30 FGEDHN C=CCNC(=O)CN[C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481995898 501941318 /nfs/dbraw/zinc/94/13/18/501941318.db2.gz YHGNNTWZHHLRFB-OAHLLOKOSA-N 0 3 351.288 3.453 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460942733 501965516 /nfs/dbraw/zinc/96/55/16/501965516.db2.gz DCTBSDUBCNXSHW-IAGOWNOFSA-N 0 3 357.502 3.151 20 30 FGEDHN C=CCOc1cccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)c1 ZINC000475099317 502058164 /nfs/dbraw/zinc/05/81/64/502058164.db2.gz WVKKCIDKFVAUKF-OALUTQOASA-N 0 3 370.472 3.086 20 30 FGEDHN CN(C)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000468511708 502086495 /nfs/dbraw/zinc/08/64/95/502086495.db2.gz OCFWQJYPYFDMOK-LJQANCHMSA-N 0 3 360.417 3.246 20 30 FGEDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000478859313 502105400 /nfs/dbraw/zinc/10/54/00/502105400.db2.gz RRHDUKOOTYDXCS-UOXRKKOCSA-N 0 3 355.388 3.459 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2[nH]ccc2s1 ZINC000475322257 502134163 /nfs/dbraw/zinc/13/41/63/502134163.db2.gz OGPAGXQNFIEZEW-UHFFFAOYSA-N 0 3 352.463 3.305 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000472148349 502247683 /nfs/dbraw/zinc/24/76/83/502247683.db2.gz ZQQXDPHOLFBWBJ-PBHICJAKSA-N 0 3 357.417 3.005 20 30 FGEDHN Cc1cc(CN2CCC(C(=O)NCCCOC(C)C)CC2)ccc1C#N ZINC000486799248 502266102 /nfs/dbraw/zinc/26/61/02/502266102.db2.gz ZTZZRZLGWWAOLP-UHFFFAOYSA-N 0 3 357.498 3.010 20 30 FGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000602798898 506304435 /nfs/dbraw/zinc/30/44/35/506304435.db2.gz HDYFZHKKINNNQZ-SFHVURJKSA-N 0 3 355.482 3.422 20 30 FGEDHN CC1CCN(CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000465530642 502291011 /nfs/dbraw/zinc/29/10/11/502291011.db2.gz UTJWSJBUKPAQPP-PMACEKPBSA-N 0 3 354.498 3.200 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCS[C@@H](C(C)C)C1)C(C)C ZINC000465543511 502299790 /nfs/dbraw/zinc/29/97/90/502299790.db2.gz KREKWYPUUUFKOT-QZTJIDSGSA-N 0 3 353.576 3.468 20 30 FGEDHN N#CC(C(=O)c1cccc(Nc2cnccn2)c1)c1cnc2ccccc2n1 ZINC000483200761 502313245 /nfs/dbraw/zinc/31/32/45/502313245.db2.gz LZJYINYQUZVLAN-INIZCTEOSA-N 0 3 366.384 3.075 20 30 FGEDHN CC[C@H](C)[C@H](NC(=O)C(C)C#N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000469201792 502334516 /nfs/dbraw/zinc/33/45/16/502334516.db2.gz KPROWYOEHKFUIU-QKLQHJQFSA-N 0 3 369.509 3.158 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN([C@H](C)CO)C2CCCC2)c1 ZINC000472640128 502408410 /nfs/dbraw/zinc/40/84/10/502408410.db2.gz FSXICYJAXNTKTD-GOSISDBHSA-N 0 3 357.498 3.176 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000469515060 502448264 /nfs/dbraw/zinc/44/82/64/502448264.db2.gz GKKNFWCHNZSZRV-NRFANRHFSA-N 0 3 358.445 3.320 20 30 FGEDHN N#Cc1ccc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)s1 ZINC000487678233 502503127 /nfs/dbraw/zinc/50/31/27/502503127.db2.gz PHOQHHDZMYUDIO-UHFFFAOYSA-N 0 3 355.463 3.024 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)C(C)C ZINC000487858824 502550016 /nfs/dbraw/zinc/55/00/16/502550016.db2.gz ZCQIBGVVJLDPEW-NUJGCVRESA-N 0 3 355.473 3.372 20 30 FGEDHN C=C(C)[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccc(F)c(F)c1 ZINC000477040747 502657253 /nfs/dbraw/zinc/65/72/53/502657253.db2.gz PZXGHJGKMZGLJQ-WMZOPIPTSA-N 0 3 369.481 3.319 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484632416 502689691 /nfs/dbraw/zinc/68/96/91/502689691.db2.gz AISPPXXAKSBSIU-POAQFYNOSA-N 0 3 357.498 3.283 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484632415 502690132 /nfs/dbraw/zinc/69/01/32/502690132.db2.gz AISPPXXAKSBSIU-KPFFTGBYSA-N 0 3 357.498 3.283 20 30 FGEDHN CN(C)CCOCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000463245909 502734935 /nfs/dbraw/zinc/73/49/35/502734935.db2.gz GYSOVIBWNGJRJJ-UHFFFAOYSA-N 0 3 368.437 3.050 20 30 FGEDHN CCN1[C@H](C)CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000602874005 506334229 /nfs/dbraw/zinc/33/42/29/506334229.db2.gz MJZMGFQZCJUMLX-GASCZTMLSA-N 0 3 374.554 3.242 20 30 FGEDHN N#Cc1cccc(NCC(=O)N(CCN2CCCCCC2)C2CCC2)c1 ZINC000488870873 502829199 /nfs/dbraw/zinc/82/91/99/502829199.db2.gz UGSUJSKIFCBJEC-UHFFFAOYSA-N 0 3 354.498 3.227 20 30 FGEDHN C=CCCc1ccccc1NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000505029248 502841764 /nfs/dbraw/zinc/84/17/64/502841764.db2.gz MFCYGBRPJXDTGU-GOSISDBHSA-N 0 3 358.530 3.200 20 30 FGEDHN CN1CCN(CCCNc2cccc(F)c2C#N)[C@H](c2ccccc2)C1 ZINC000513108548 502854006 /nfs/dbraw/zinc/85/40/06/502854006.db2.gz PJFLVIRFGXRYOP-NRFANRHFSA-N 0 3 352.457 3.488 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)C(C)C ZINC000495999884 502869288 /nfs/dbraw/zinc/86/92/88/502869288.db2.gz MSYCLHVEPKEIKS-SQGPQFPESA-N 0 3 358.482 3.030 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(F)cc2Cl)CC1 ZINC000500841895 502875375 /nfs/dbraw/zinc/87/53/75/502875375.db2.gz XAGZCDPSUGIOFQ-UHFFFAOYSA-N 0 3 353.869 3.361 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000496293999 502883619 /nfs/dbraw/zinc/88/36/19/502883619.db2.gz ZBWOLFVQUROSJQ-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCCN1CC ZINC000496652803 502898253 /nfs/dbraw/zinc/89/82/53/502898253.db2.gz UPDQXOYPXJJHIY-IBGZPJMESA-N 0 3 361.534 3.426 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000505626739 502953067 /nfs/dbraw/zinc/95/30/67/502953067.db2.gz WNWXFXBJBARBPX-LJQANCHMSA-N 0 3 369.509 3.124 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CN(CC)Cc2ccccc2Cl)CC1 ZINC000497501100 502974050 /nfs/dbraw/zinc/97/40/50/502974050.db2.gz XYJRXJYOGMZPRR-UHFFFAOYSA-N 0 3 363.933 3.319 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000602906986 506345953 /nfs/dbraw/zinc/34/59/53/506345953.db2.gz KHDPYFSQBJQMFL-UHFFFAOYSA-N 0 3 359.433 3.033 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000489882627 503055571 /nfs/dbraw/zinc/05/55/71/503055571.db2.gz JTKULDVIGPVSOM-UHFFFAOYSA-N 0 3 371.525 3.432 20 30 FGEDHN C[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@H]1C ZINC000514567569 503138037 /nfs/dbraw/zinc/13/80/37/503138037.db2.gz VPPFJVWVFJKASN-FUHIMQAGSA-N 0 3 356.514 3.456 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(ccnc3OC)c2)CC1 ZINC000514656521 503159878 /nfs/dbraw/zinc/15/98/78/503159878.db2.gz KZQZDUCPXAGIRX-UHFFFAOYSA-N 0 3 354.454 3.405 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c(OC)c1 ZINC000498353388 503165016 /nfs/dbraw/zinc/16/50/16/503165016.db2.gz LYPWMWVZZWYTGZ-SJORKVTESA-N 0 3 360.498 3.039 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H](c2cc(C)ccn2)C1 ZINC000582674887 506359887 /nfs/dbraw/zinc/35/98/87/506359887.db2.gz RJPUHMIIEMJJKH-PMACEKPBSA-N 0 3 352.478 3.348 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCC[C@@H]2CCO)c1C#N ZINC000502855150 503290037 /nfs/dbraw/zinc/29/00/37/503290037.db2.gz JPSSBWQANFKPDT-VQIMIIECSA-N 0 3 372.513 3.171 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1C ZINC000498922728 503293940 /nfs/dbraw/zinc/29/39/40/503293940.db2.gz CVZUSRMFXKEGHQ-JKSUJKDBSA-N 0 3 362.905 3.001 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H](CN2CCCCC2)c2ccccc2)CCCCC1 ZINC000611935134 506366669 /nfs/dbraw/zinc/36/66/69/506366669.db2.gz MBCQXQCJHASVBV-FQEVSTJZSA-N 0 3 368.525 3.146 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000588884514 506367455 /nfs/dbraw/zinc/36/74/55/506367455.db2.gz ABEDNTRYNVIUBE-SJORKVTESA-N 0 3 350.466 3.439 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@H]2CCc3ccccc32)cc1 ZINC000515638271 503377600 /nfs/dbraw/zinc/37/76/00/503377600.db2.gz ZXHAYVGSBJWXBU-GOSISDBHSA-N 0 3 354.475 3.042 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H]1CCCC1(C)C ZINC000492934791 503393755 /nfs/dbraw/zinc/39/37/55/503393755.db2.gz BJIYIHMVHNFIPF-KRWDZBQOSA-N 0 3 360.502 3.120 20 30 FGEDHN CCOC[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000503447111 503411232 /nfs/dbraw/zinc/41/12/32/503411232.db2.gz ORZWPXBMXOVHML-QGZVFWFLSA-N 0 3 351.878 3.237 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1CCC[C@H]1OC(F)F)c1cccc(Cl)c1 ZINC000503526525 503429809 /nfs/dbraw/zinc/42/98/09/503429809.db2.gz PWTQOAIWIFSDNV-HUUCEWRRSA-N 0 3 371.815 3.337 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503527206 503430050 /nfs/dbraw/zinc/43/00/50/503430050.db2.gz WTLVCQPTNBLUBF-BPLDGKMQSA-N 0 3 358.454 3.401 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503527207 503430171 /nfs/dbraw/zinc/43/01/71/503430171.db2.gz WTLVCQPTNBLUBF-NWANDNLSSA-N 0 3 358.454 3.401 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(c4c(F)cccc4F)CCC3)cnc12 ZINC000516065964 503439754 /nfs/dbraw/zinc/43/97/54/503439754.db2.gz ZQHKYMXYSZDCME-UHFFFAOYSA-N 0 3 353.376 3.091 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C[C@@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC000493795022 503445953 /nfs/dbraw/zinc/44/59/53/503445953.db2.gz XUXRAJZVYTZLHM-MOPGFXCFSA-N 0 3 373.541 3.223 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000504020293 503511086 /nfs/dbraw/zinc/51/10/86/503511086.db2.gz KWMNKVKPSXPGNQ-IAGOWNOFSA-N 0 3 357.498 3.123 20 30 FGEDHN COc1cc2c(cc1F)CC[C@@H]2NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000512340798 503524519 /nfs/dbraw/zinc/52/45/19/503524519.db2.gz CSBPXZNUTRWXGD-LPHOPBHVSA-N 0 3 363.392 3.192 20 30 FGEDHN C=CCn1c(-c2ccccc2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000508735847 503553862 /nfs/dbraw/zinc/55/38/62/503553862.db2.gz XOFRPDYDCHZVFP-IBGZPJMESA-N 0 3 369.513 3.068 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000516800899 503590651 /nfs/dbraw/zinc/59/06/51/503590651.db2.gz GBMKCAGTCGSLKS-DYESRHJHSA-N 0 3 374.488 3.367 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000494684114 503591184 /nfs/dbraw/zinc/59/11/84/503591184.db2.gz HTQGZRLTFZSPOO-SFTDATJTSA-N 0 3 370.541 3.115 20 30 FGEDHN CCCOc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)c(C)c1 ZINC000516863195 503604213 /nfs/dbraw/zinc/60/42/13/503604213.db2.gz XFXTZALTWZFCIO-IBGZPJMESA-N 0 3 354.450 3.185 20 30 FGEDHN Cc1ccc([C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)N2CCOCC2)o1 ZINC000512655136 503604867 /nfs/dbraw/zinc/60/48/67/503604867.db2.gz RTWUEQOSJSTOMO-HNAYVOBHSA-N 0 3 357.429 3.323 20 30 FGEDHN C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512665716 503607281 /nfs/dbraw/zinc/60/72/81/503607281.db2.gz HGAKAIPTBQUXDF-HRAATJIYSA-N 0 3 353.441 3.421 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000500394003 503612917 /nfs/dbraw/zinc/61/29/17/503612917.db2.gz ZSICOUHCSQVNQU-OAQYLSRUSA-N 0 3 363.461 3.442 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000529684957 503655075 /nfs/dbraw/zinc/65/50/75/503655075.db2.gz MKWOPECMRCEWHX-XWPNQZOQSA-N 0 3 361.832 3.348 20 30 FGEDHN CC1(C)Oc2ccsc2[C@@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H]1O ZINC000517220670 503681678 /nfs/dbraw/zinc/68/16/78/503681678.db2.gz FWDJUCKGGZQGBU-LESCRADOSA-N 0 3 370.474 3.210 20 30 FGEDHN C=CCNC(=O)CN(Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC000536744141 503708391 /nfs/dbraw/zinc/70/83/91/503708391.db2.gz NKOSOKWWDHOIKE-WMZOPIPTSA-N 0 3 360.498 3.387 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000527319653 503763837 /nfs/dbraw/zinc/76/38/37/503763837.db2.gz HSEQEVSCIMBGRK-NJYVYQBISA-N 0 3 359.429 3.277 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000527319651 503763950 /nfs/dbraw/zinc/76/39/50/503763950.db2.gz HSEQEVSCIMBGRK-HKBOAZHASA-N 0 3 359.429 3.277 20 30 FGEDHN C=CCN1CCC(Nc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000543437547 503769820 /nfs/dbraw/zinc/76/98/20/503769820.db2.gz WOOWWUWVVFGRST-UHFFFAOYSA-N 0 3 355.236 3.123 20 30 FGEDHN CCCC(=O)Nc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000527446814 503790875 /nfs/dbraw/zinc/79/08/75/503790875.db2.gz JBGWIRJJMDAADG-IBGZPJMESA-N 0 3 374.444 3.296 20 30 FGEDHN CC[C@H]1CCCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000540548312 503813699 /nfs/dbraw/zinc/81/36/99/503813699.db2.gz DIDUQKLOGRLRSB-ZWKOTPCHSA-N 0 3 374.554 3.112 20 30 FGEDHN CN(C)Cc1cccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000530061351 503819169 /nfs/dbraw/zinc/81/91/69/503819169.db2.gz PMDHVFTVRZMLNS-UHFFFAOYSA-N 0 3 363.461 3.056 20 30 FGEDHN C=CCC[C@H](NCC(=O)N1CCCC[C@@H]1C(=O)OCC)c1ccccc1 ZINC000537157557 503821557 /nfs/dbraw/zinc/82/15/57/503821557.db2.gz MLSGHURGMGRAGK-RBUKOAKNSA-N 0 3 358.482 3.228 20 30 FGEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000540708365 503863117 /nfs/dbraw/zinc/86/31/17/503863117.db2.gz VNTSDVQEUOXVSD-ZIAGYGMSSA-N 0 3 350.397 3.147 20 30 FGEDHN N#Cc1ccc(N2CCC(NC[C@@H](n3cccn3)C(F)(F)F)CC2)cc1 ZINC000527736062 503921395 /nfs/dbraw/zinc/92/13/95/503921395.db2.gz JUXGBYAVXOKUGK-QGZVFWFLSA-N 0 3 363.387 3.117 20 30 FGEDHN N#CCc1ccc(Oc2ccc(C(=O)NCCNc3ccncc3)cc2)cc1 ZINC000533812299 503959588 /nfs/dbraw/zinc/95/95/88/503959588.db2.gz CMUYADGLMOZHGT-UHFFFAOYSA-N 0 3 372.428 3.204 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(Br)cs2)CC1 ZINC000518511038 504003719 /nfs/dbraw/zinc/00/37/19/504003719.db2.gz QSTWYBKUMZGCJD-UHFFFAOYSA-N 0 3 372.332 3.350 20 30 FGEDHN CSc1cccc(F)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000518584619 504021579 /nfs/dbraw/zinc/02/15/79/504021579.db2.gz INCQAGOCUJOZEO-OAHLLOKOSA-N 0 3 353.422 3.418 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C[C@H]1CC=CCC1 ZINC000541317682 504086380 /nfs/dbraw/zinc/08/63/80/504086380.db2.gz QVIJLADJCZQBBF-SFHVURJKSA-N 0 3 372.513 3.240 20 30 FGEDHN Cc1cc(C)cc([C@@H]2CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000541386722 504112255 /nfs/dbraw/zinc/11/22/55/504112255.db2.gz GVPTYPLZHSAWMS-CTNGQTDRSA-N 0 3 350.462 3.404 20 30 FGEDHN C=CCOc1cccc(CNC[C@H](Cc2ccccc2Cl)C(N)=O)c1 ZINC000538517898 504271360 /nfs/dbraw/zinc/27/13/60/504271360.db2.gz BCTWBGIXJURRPV-KRWDZBQOSA-N 0 3 358.869 3.339 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000531756245 504414996 /nfs/dbraw/zinc/41/49/96/504414996.db2.gz YDIRBKYCVNVOAM-UHFFFAOYSA-N 0 3 367.415 3.378 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1Cl ZINC000528922054 504450692 /nfs/dbraw/zinc/45/06/92/504450692.db2.gz XBADDJJTACWXFU-STKZKQKTSA-N 0 3 364.829 3.055 20 30 FGEDHN N#Cc1ccccc1COc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000545445973 504490444 /nfs/dbraw/zinc/49/04/44/504490444.db2.gz PHHAZRGYQOYWMD-LJQANCHMSA-N 0 3 354.369 3.417 20 30 FGEDHN C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000539209386 504498704 /nfs/dbraw/zinc/49/87/04/504498704.db2.gz BGBFCSJKODQBGG-QGZVFWFLSA-N 0 3 362.477 3.461 20 30 FGEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000539241551 504509576 /nfs/dbraw/zinc/50/95/76/504509576.db2.gz XAMFPUNTVUAVLU-RTWAWAEBSA-N 0 3 370.541 3.152 20 30 FGEDHN N#CC(C(=O)c1cccc([C@H]2CCCOC2)c1)c1nnc2n1CCCCC2 ZINC000535755439 504532958 /nfs/dbraw/zinc/53/29/58/504532958.db2.gz BRLRAZXKHZRQST-ZWKOTPCHSA-N 0 3 364.449 3.389 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535758352 504535403 /nfs/dbraw/zinc/53/54/03/504535403.db2.gz KNSIGMYOOQOUPF-HXUWFJFHSA-N 0 3 352.482 3.231 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)N2CCC(C)CC2)c1C#N ZINC000520868491 504599944 /nfs/dbraw/zinc/59/99/44/504599944.db2.gz FFIZENBPESWGAR-AWEZNQCLSA-N 0 3 372.538 3.403 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCCN1CC ZINC000536037401 504614908 /nfs/dbraw/zinc/61/49/08/504614908.db2.gz YYYNYVKAEROWKS-HKUYNNGSSA-N 0 3 360.498 3.186 20 30 FGEDHN N#CCc1ccnc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000532435200 504650248 /nfs/dbraw/zinc/65/02/48/504650248.db2.gz PLPMGOZVFWLFEX-QGZVFWFLSA-N 0 3 352.413 3.137 20 30 FGEDHN N#Cc1cccc(OCCN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000542912964 504655236 /nfs/dbraw/zinc/65/52/36/504655236.db2.gz ZVEUUNHPVATQAS-KRWDZBQOSA-N 0 3 361.239 3.023 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000536388220 504719884 /nfs/dbraw/zinc/71/98/84/504719884.db2.gz GEGLQCHYFOMRPP-HNNXBMFYSA-N 0 3 358.388 3.425 20 30 FGEDHN N#Cc1ccc(OCc2cccc(C(=O)C(C#N)c3ccncn3)c2)cc1 ZINC000546154149 504728921 /nfs/dbraw/zinc/72/89/21/504728921.db2.gz VDXAZMQJXWYRQP-IBGZPJMESA-N 0 3 354.369 3.417 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)C(CC)CC)CC1 ZINC000556197516 504817564 /nfs/dbraw/zinc/81/75/64/504817564.db2.gz IWSWJBMBQOGQIC-HXUWFJFHSA-N 0 3 371.525 3.047 20 30 FGEDHN C=CCc1cc(C(=O)N(CCC)CCN2CCCC2)cc(OC)c1OC ZINC000553064349 504817728 /nfs/dbraw/zinc/81/77/28/504817728.db2.gz NOEDERXSTGAWIO-UHFFFAOYSA-N 0 3 360.498 3.380 20 30 FGEDHN CN(C(=O)NCC#Cc1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000549584249 504854534 /nfs/dbraw/zinc/85/45/34/504854534.db2.gz NHJMCTDDXXREHR-NRFANRHFSA-N 0 3 365.452 3.093 20 30 FGEDHN CN1CCN(CCCNc2nccc(C#N)c2Cl)[C@@H](c2ccccc2)C1 ZINC000553309872 504879199 /nfs/dbraw/zinc/87/91/99/504879199.db2.gz KRAJQIUQHXZTLE-GOSISDBHSA-N 0 3 369.900 3.397 20 30 FGEDHN C[C@H](N[C@H]1CCOC1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562711984 504918257 /nfs/dbraw/zinc/91/82/57/504918257.db2.gz XHNWOBUGDGNGGO-LRDDRELGSA-N 0 3 361.511 3.373 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Br)cc1C ZINC000562735785 504927535 /nfs/dbraw/zinc/92/75/35/504927535.db2.gz UDTRBCCAESHRTQ-CABCVRRESA-N 0 3 353.260 3.019 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000556673644 504936103 /nfs/dbraw/zinc/93/61/03/504936103.db2.gz OBPMAWNIDXIXMY-UHFFFAOYSA-N 0 3 364.449 3.013 20 30 FGEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000553660847 504975875 /nfs/dbraw/zinc/97/58/75/504975875.db2.gz XQAJBLXLSFAWSS-KRWDZBQOSA-N 0 3 365.477 3.136 20 30 FGEDHN CN1C(=O)C[C@H](N[C@H]2CCc3ccc(C#N)cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000565863464 505009235 /nfs/dbraw/zinc/00/92/35/505009235.db2.gz ZHOARZNXLDVQMD-ZJOUEHCJSA-N 0 3 367.399 3.385 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000563003158 505016722 /nfs/dbraw/zinc/01/67/22/505016722.db2.gz OMRNLMPWGKICES-ZWKOTPCHSA-N 0 3 360.866 3.131 20 30 FGEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000553886145 505033032 /nfs/dbraw/zinc/03/30/32/505033032.db2.gz ISNZLQTXYIHJDE-UHFFFAOYSA-N 0 3 369.918 3.098 20 30 FGEDHN N#CCCC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000563068084 505038653 /nfs/dbraw/zinc/03/86/53/505038653.db2.gz JWKYTXCIFKJWBL-UHFFFAOYSA-N 0 3 356.495 3.453 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000566140412 505095198 /nfs/dbraw/zinc/09/51/98/505095198.db2.gz ACWXJSDLDWCZEB-PIPMEXSNSA-N 0 3 374.488 3.092 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000563298352 505100567 /nfs/dbraw/zinc/10/05/67/505100567.db2.gz BRFLKUSXIARWQM-UHFFFAOYSA-N 0 3 362.481 3.074 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ncc1C#N ZINC000566428028 505173241 /nfs/dbraw/zinc/17/32/41/505173241.db2.gz XTFUPZHNCUNKLH-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000563628601 505196530 /nfs/dbraw/zinc/19/65/30/505196530.db2.gz NNEPXFZDYXAVMF-IBGZPJMESA-N 0 3 352.482 3.205 20 30 FGEDHN COc1cc(Cl)cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000566667067 505238073 /nfs/dbraw/zinc/23/80/73/505238073.db2.gz FZFIAMMFFOCJCX-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN N#Cc1cccnc1OC1CCC([NH2+][C@@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000566761414 505265704 /nfs/dbraw/zinc/26/57/04/505265704.db2.gz MLGVFYGZGXIMBK-CTWPCTMYSA-N 0 3 374.448 3.141 20 30 FGEDHN N#Cc1cccnc1OC1CCC(N[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000566761414 505265709 /nfs/dbraw/zinc/26/57/09/505265709.db2.gz MLGVFYGZGXIMBK-CTWPCTMYSA-N 0 3 374.448 3.141 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000554875639 505287274 /nfs/dbraw/zinc/28/72/74/505287274.db2.gz KRZJMGCALZGRHT-UHFFFAOYSA-N 0 3 359.477 3.308 20 30 FGEDHN CN1CCC(Oc2ccc(CNc3nccc(C#N)c3Cl)cc2)CC1 ZINC000567118845 505368709 /nfs/dbraw/zinc/36/87/09/505368709.db2.gz KVVPYUZPRABNSJ-UHFFFAOYSA-N 0 3 356.857 3.114 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000552147034 505414566 /nfs/dbraw/zinc/41/45/66/505414566.db2.gz JONOPUQKTQXIPQ-RBUKOAKNSA-N 0 3 351.874 3.315 20 30 FGEDHN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000555353746 505415786 /nfs/dbraw/zinc/41/57/86/505415786.db2.gz QGFPDWAMXNVQSG-LJQANCHMSA-N 0 3 366.513 3.249 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000552226898 505434138 /nfs/dbraw/zinc/43/41/38/505434138.db2.gz SSOKUZYVQGJMLF-FOIQADDNSA-N 0 3 356.853 3.423 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000567470572 505473145 /nfs/dbraw/zinc/47/31/45/505473145.db2.gz GPHJPMGJHWXIOC-OAHLLOKOSA-N 0 3 360.531 3.063 20 30 FGEDHN N#CC(CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000567602720 505511849 /nfs/dbraw/zinc/51/18/49/505511849.db2.gz NWBCISFROHBFNU-VLCRHTCISA-N 0 3 373.500 3.472 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000562175866 505532651 /nfs/dbraw/zinc/53/26/51/505532651.db2.gz SSETWFSVCXRULN-FQEVSTJZSA-N 0 3 367.493 3.224 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccc(F)cc3)CCC2)cc1 ZINC000567683726 505534795 /nfs/dbraw/zinc/53/47/95/505534795.db2.gz VYPZHAXPBYSVSQ-UHFFFAOYSA-N 0 3 372.465 3.183 20 30 FGEDHN COc1cc(CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000564869124 505544497 /nfs/dbraw/zinc/54/44/97/505544497.db2.gz OSHJUDQRYKCFOG-QGZVFWFLSA-N 0 3 364.367 3.279 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000559002576 505549790 /nfs/dbraw/zinc/54/97/90/505549790.db2.gz UNGKJYMXBAFXQI-FQEVSTJZSA-N 0 3 362.477 3.074 20 30 FGEDHN CC(C)[C@H](CNc1c(C#N)cnc2c(Cl)cccc21)N1CCN(C)CC1 ZINC000564892728 505551278 /nfs/dbraw/zinc/55/12/78/505551278.db2.gz NPFQBAPTIRJFGD-SFHVURJKSA-N 0 3 371.916 3.444 20 30 FGEDHN N#CCCC1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000564899422 505552974 /nfs/dbraw/zinc/55/29/74/505552974.db2.gz QYOKFLHRWAEPNV-UHFFFAOYSA-N 0 3 355.486 3.023 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1cccs1 ZINC000596391483 506384122 /nfs/dbraw/zinc/38/41/22/506384122.db2.gz GRBBMTIKSFGVFG-JZXOWHBKSA-N 0 3 360.527 3.466 20 30 FGEDHN CN(Cc1cc(Br)cs1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599262597 506390662 /nfs/dbraw/zinc/39/06/62/506390662.db2.gz JQSOKPUPASNESD-ZDUSSCGKSA-N 0 3 373.316 3.014 20 30 FGEDHN Cc1ccc([C@H]2CSCCN2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599294744 506400636 /nfs/dbraw/zinc/40/06/36/506400636.db2.gz NADZWBWANMLZOG-RTBURBONSA-N 0 3 360.523 3.156 20 30 FGEDHN C[C@@H]1SCCN(C[C@@H](O)COc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000599303979 506404851 /nfs/dbraw/zinc/40/48/51/506404851.db2.gz NZFOEHYGFZQFJD-LDQXTDLNSA-N 0 3 368.502 3.477 20 30 FGEDHN N#CC1(C[C@H](O)CNC2(c3ccc(F)cc3F)CCC2)CCOCC1 ZINC000599356329 506425953 /nfs/dbraw/zinc/42/59/53/506425953.db2.gz MAZPJNYQMMQTBW-HNNXBMFYSA-N 0 3 350.409 3.005 20 30 FGEDHN CC[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCc2ccccc2C1 ZINC000612099784 506434175 /nfs/dbraw/zinc/43/41/75/506434175.db2.gz JFQNRYHSILEKKY-FPOVZHCZSA-N 0 3 354.498 3.159 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000612117076 506444999 /nfs/dbraw/zinc/44/49/99/506444999.db2.gz QBAWIPPOJYYYAQ-LPHOPBHVSA-N 0 3 360.527 3.295 20 30 FGEDHN CN(CCN1CCCCC1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000593210320 506468242 /nfs/dbraw/zinc/46/82/42/506468242.db2.gz CHRKGHFQYCZESK-UHFFFAOYSA-N 0 3 365.275 3.270 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)Cc2noc(C)c2C#N)N(CC)CC)cc1 ZINC000582982172 506521941 /nfs/dbraw/zinc/52/19/41/506521941.db2.gz GVHWBCMGHBKSFZ-HXUWFJFHSA-N 0 3 368.481 3.159 20 30 FGEDHN N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000589439602 506550070 /nfs/dbraw/zinc/55/00/70/506550070.db2.gz IDOQJZZDRUMBHE-QFIPXVFZSA-N 0 3 360.461 3.082 20 30 FGEDHN N#Cc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000589495119 506569267 /nfs/dbraw/zinc/56/92/67/506569267.db2.gz UPOFMXMXEQFHTO-KRWDZBQOSA-N 0 3 367.415 3.264 20 30 FGEDHN N#CCc1cccc2c1CCN(CCC(=O)N1CCc3ccccc3C1)C2 ZINC000599678525 506574572 /nfs/dbraw/zinc/57/45/72/506574572.db2.gz SMNITIOCMGIKDY-UHFFFAOYSA-N 0 3 359.473 3.086 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)C1CC1 ZINC000593395550 506597786 /nfs/dbraw/zinc/59/77/86/506597786.db2.gz ZDEMFGJLGYAVOH-QFIPXVFZSA-N 0 3 374.488 3.494 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1(C#N)CCCC1 ZINC000593426631 506613661 /nfs/dbraw/zinc/61/36/61/506613661.db2.gz AOCRBPLWEZGNPQ-UHFFFAOYSA-N 0 3 362.905 3.497 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(F)(F)C(C)(C)C)cc1 ZINC000596877440 506651412 /nfs/dbraw/zinc/65/14/12/506651412.db2.gz SHKOMYOCEWWFBH-NSHDSACASA-N 0 3 373.425 3.175 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC2 ZINC000599844588 506675276 /nfs/dbraw/zinc/67/52/76/506675276.db2.gz JCDHZYLDOBHCMD-UHFFFAOYSA-N 0 3 364.449 3.089 20 30 FGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H](O)COCc1ccccc1 ZINC000596999241 506724202 /nfs/dbraw/zinc/72/42/02/506724202.db2.gz BZNDLHIKKXLJNK-NRFANRHFSA-N 0 3 350.462 3.251 20 30 FGEDHN N#CC1(c2ccc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2)CC1 ZINC000597014891 506732980 /nfs/dbraw/zinc/73/29/80/506732980.db2.gz SXMSQFALLVCRJN-KRWDZBQOSA-N 0 3 363.421 3.231 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000609078104 506772146 /nfs/dbraw/zinc/77/21/46/506772146.db2.gz VWHKDRIKNAQGKJ-KRWDZBQOSA-N 0 3 357.498 3.296 20 30 FGEDHN Cc1cc(NC(=O)CC2(C#N)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000590309668 506790657 /nfs/dbraw/zinc/79/06/57/506790657.db2.gz ZODDRPBERNQIGK-SFHVURJKSA-N 0 3 363.465 3.271 20 30 FGEDHN N#CCCN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccc(F)cc1 ZINC000597178681 506817000 /nfs/dbraw/zinc/81/70/00/506817000.db2.gz AANTYGRPHWJPKF-GJZGRUSLSA-N 0 3 374.334 3.056 20 30 FGEDHN COC(=O)[C@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597242684 506857034 /nfs/dbraw/zinc/85/70/34/506857034.db2.gz DVFUMNQDSKGUNJ-WGSAOQKQSA-N 0 3 350.418 3.178 20 30 FGEDHN N#C[C@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC12CCCC2 ZINC000590626091 506887507 /nfs/dbraw/zinc/88/75/07/506887507.db2.gz LBUAADTWARRRTK-UGKGYDQZSA-N 0 3 351.494 3.489 20 30 FGEDHN N#Cc1ccc(C2(NC[C@H](O)COCc3ccccc3F)CCC2)cc1 ZINC000594032938 506897682 /nfs/dbraw/zinc/89/76/82/506897682.db2.gz RUCLTBUFVXJTFR-IBGZPJMESA-N 0 3 354.425 3.244 20 30 FGEDHN CC(C)OC(=O)C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000594041679 506902781 /nfs/dbraw/zinc/90/27/81/506902781.db2.gz OXGMKJOEBULZCQ-OAHLLOKOSA-N 0 3 365.861 3.106 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](CC)[C@H]2CCCCO2)cc1 ZINC000594044333 506903029 /nfs/dbraw/zinc/90/30/29/506903029.db2.gz QKOGAISBDYYPRH-VQTJNVASSA-N 0 3 373.497 3.269 20 30 FGEDHN C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000609546511 506917413 /nfs/dbraw/zinc/91/74/13/506917413.db2.gz TVYVOVXQZJZOCC-DLBZAZTESA-N 0 3 350.466 3.439 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000583692087 506920284 /nfs/dbraw/zinc/92/02/84/506920284.db2.gz DDUAEMKWUFFGKD-IBGZPJMESA-N 0 3 351.450 3.019 20 30 FGEDHN C=CCOc1cccc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000604769189 506934998 /nfs/dbraw/zinc/93/49/98/506934998.db2.gz KUXSWWPWROMOAZ-QHCPKHFHSA-N 0 3 366.505 3.368 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000590801810 506966839 /nfs/dbraw/zinc/96/68/39/506966839.db2.gz RXMILHQRNFIFSB-SXLOBPIMSA-N 0 3 354.498 3.280 20 30 FGEDHN N#CC1(CC(=O)NCc2ccccc2CN2CCC[C@H]2CO)CCCCC1 ZINC000597497247 506981057 /nfs/dbraw/zinc/98/10/57/506981057.db2.gz DHGRDBLMSGUGIO-FQEVSTJZSA-N 0 3 369.509 3.124 20 30 FGEDHN N#CC1(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCCCC1 ZINC000597559044 507008899 /nfs/dbraw/zinc/00/88/99/507008899.db2.gz FACINFGKYCSQTQ-FQEVSTJZSA-N 0 3 369.509 3.258 20 30 FGEDHN C[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCC(C)CC1 ZINC000594226263 507023021 /nfs/dbraw/zinc/02/30/21/507023021.db2.gz JNBLFZMLNHCBPI-QGZVFWFLSA-N 0 3 354.498 3.357 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000594238524 507033401 /nfs/dbraw/zinc/03/34/01/507033401.db2.gz GGJMWVMWLYZAGT-QFIPXVFZSA-N 0 3 374.488 3.494 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCCOC[C@@H]3C)sc2C1 ZINC000591020004 507080801 /nfs/dbraw/zinc/08/08/01/507080801.db2.gz XXGJHJQVJVHXIP-KGLIPLIRSA-N 0 3 361.511 3.184 20 30 FGEDHN CC1(C)C[C@@H](NC[C@@H](O)CC2(C#N)CCOCC2)c2ccc(F)cc2O1 ZINC000600724513 507083732 /nfs/dbraw/zinc/08/37/32/507083732.db2.gz AJYVTBCFDHDAMQ-DOTOQJQBSA-N 0 3 362.445 3.089 20 30 FGEDHN CCC(C)(C)N1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000594388886 507107038 /nfs/dbraw/zinc/10/70/38/507107038.db2.gz CIEDLROYHKAPRY-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000610134109 507111704 /nfs/dbraw/zinc/11/17/04/507111704.db2.gz GHFCBNBURQKDAT-MOPGFXCFSA-N 0 3 357.498 3.090 20 30 FGEDHN COc1cccc2c1OCC[C@H]2NC(=O)C(C#N)CCc1ccccc1 ZINC000594419190 507124364 /nfs/dbraw/zinc/12/43/64/507124364.db2.gz ORJFCQVWKNMDFE-SJLPKXTDSA-N 0 3 350.418 3.408 20 30 FGEDHN CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594425533 507126508 /nfs/dbraw/zinc/12/65/08/507126508.db2.gz AEGLWWXBQXUPAN-INIZCTEOSA-N 0 3 364.877 3.076 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000594428733 507127898 /nfs/dbraw/zinc/12/78/98/507127898.db2.gz PABIIKAOOXRQHM-GJZGRUSLSA-N 0 3 365.861 3.248 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000594429269 507128052 /nfs/dbraw/zinc/12/80/52/507128052.db2.gz RUTOEOHJMPXGAJ-LJQANCHMSA-N 0 3 370.497 3.233 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000594427912 507128088 /nfs/dbraw/zinc/12/80/88/507128088.db2.gz XMIIICXDIAPPBT-ZDUSSCGKSA-N 0 3 361.496 3.180 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C ZINC000610177709 507128090 /nfs/dbraw/zinc/12/80/90/507128090.db2.gz BNSZEDYMEJHUIX-YJBOKZPZSA-N 0 3 364.449 3.300 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000594431396 507128757 /nfs/dbraw/zinc/12/87/57/507128757.db2.gz LRANGEVHRKHVJF-GOSISDBHSA-N 0 3 356.470 3.099 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000594431099 507128776 /nfs/dbraw/zinc/12/87/76/507128776.db2.gz HKRWIFFIZLSDKM-SFHVURJKSA-N 0 3 350.422 3.289 20 30 FGEDHN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H](N)CCCCC#N ZINC000594431026 507129367 /nfs/dbraw/zinc/12/93/67/507129367.db2.gz GAQFKZMMYRQENW-CZUORRHYSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000594434804 507130813 /nfs/dbraw/zinc/13/08/13/507130813.db2.gz TWNVJKRCUXJJPG-OAHLLOKOSA-N 0 3 365.359 3.241 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)Nc3ccccc3CC#N)CC2)c1 ZINC000584062987 507132273 /nfs/dbraw/zinc/13/22/73/507132273.db2.gz DSKLOMWFVXPRGK-UHFFFAOYSA-N 0 3 362.477 3.212 20 30 FGEDHN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@H](N)CCCCC#N)n1 ZINC000594438108 507133666 /nfs/dbraw/zinc/13/36/66/507133666.db2.gz GQDMDZBWHPSMJL-HXUWFJFHSA-N 0 3 365.481 3.034 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1cc(Cl)ccc1Br ZINC000594450341 507139153 /nfs/dbraw/zinc/13/91/53/507139153.db2.gz YTURONMFKRDVPU-CYBMUJFWSA-N 0 3 358.667 3.130 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000594443856 507135028 /nfs/dbraw/zinc/13/50/28/507135028.db2.gz VZFJQRBQWHNVHQ-CVEARBPZSA-N 0 3 369.387 3.017 20 30 FGEDHN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](N)CCCCC#N ZINC000594445679 507137759 /nfs/dbraw/zinc/13/77/59/507137759.db2.gz JWWJEIZFDKFJCV-XHDPSFHLSA-N 0 3 370.266 3.047 20 30 FGEDHN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594447567 507139311 /nfs/dbraw/zinc/13/93/11/507139311.db2.gz YTUVAXMOXSSOHU-FZMZJTMJSA-N 0 3 368.275 3.046 20 30 FGEDHN CC1CCC(O)(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000610216445 507142378 /nfs/dbraw/zinc/14/23/78/507142378.db2.gz XAMSIQIFZZWROI-UHFFFAOYSA-N 0 3 364.493 3.170 20 30 FGEDHN COc1cccc(C(=O)NCCNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594496589 507155713 /nfs/dbraw/zinc/15/57/13/507155713.db2.gz PAIKGQUUFJAGKG-UHFFFAOYSA-N 0 3 351.450 3.016 20 30 FGEDHN N#Cc1cc(NCCCN2CCN(c3ccccc3)CC2)c2ccccc2n1 ZINC000610246239 507157620 /nfs/dbraw/zinc/15/76/20/507157620.db2.gz TXOLNPAHCJHBBX-UHFFFAOYSA-N 0 3 371.488 3.153 20 30 FGEDHN CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CCN(C)C1 ZINC000597947264 507193969 /nfs/dbraw/zinc/19/39/69/507193969.db2.gz WWZDWNQHNCHZML-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000610323860 507194979 /nfs/dbraw/zinc/19/49/79/507194979.db2.gz KJNNQJNIOZJOKF-SFHVURJKSA-N 0 3 352.413 3.436 20 30 FGEDHN C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000610347766 507205765 /nfs/dbraw/zinc/20/57/65/507205765.db2.gz WHCVLXKSROVYJY-QGZVFWFLSA-N 0 3 362.477 3.367 20 30 FGEDHN Cc1nc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)cc1C#N ZINC000584214473 507218254 /nfs/dbraw/zinc/21/82/54/507218254.db2.gz MBMGNYDSIMRBBI-OKILXGFUSA-N 0 3 362.905 3.241 20 30 FGEDHN Cn1cccc1[C@H]1CCCCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610476753 507254543 /nfs/dbraw/zinc/25/45/43/507254543.db2.gz IJFKBPQJOYBJAB-WIYYLYMNSA-N 0 3 353.466 3.058 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594927805 507317550 /nfs/dbraw/zinc/31/75/50/507317550.db2.gz QZRBMJLGCAYPMU-OAHLLOKOSA-N 0 3 369.490 3.001 20 30 FGEDHN N#CC1(c2ccc(CNCCNc3nccc(C(F)(F)F)n3)cc2)CC1 ZINC000594924511 507317946 /nfs/dbraw/zinc/31/79/46/507317946.db2.gz ZVESBBAKLBFUAC-UHFFFAOYSA-N 0 3 361.371 3.252 20 30 FGEDHN N#CC1(c2ccc(CNC[C@H](Cc3ccccc3Cl)C(N)=O)cc2)CC1 ZINC000594935063 507320386 /nfs/dbraw/zinc/32/03/86/507320386.db2.gz NGGDDMVJLVKGOI-KRWDZBQOSA-N 0 3 367.880 3.329 20 30 FGEDHN CS(=O)(=O)Cc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594937349 507321094 /nfs/dbraw/zinc/32/10/94/507321094.db2.gz KGYOPARUROUXQS-UHFFFAOYSA-N 0 3 354.475 3.076 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(c3ccc(F)cc3)CCC2)c1 ZINC000591728862 507341903 /nfs/dbraw/zinc/34/19/03/507341903.db2.gz BDAYYLHJXMVXLV-UHFFFAOYSA-N 0 3 372.465 3.183 20 30 FGEDHN C[C@H](CC(C)(C)c1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000591728348 507341923 /nfs/dbraw/zinc/34/19/23/507341923.db2.gz OVVDMWIKGZCHTN-MRXNPFEDSA-N 0 3 371.506 3.073 20 30 FGEDHN CC(C)(CNCc1ccc(C#N)cc1C(F)(F)F)[C@@]1(O)CCCOC1 ZINC000594996493 507346660 /nfs/dbraw/zinc/34/66/60/507346660.db2.gz NVGYJTLWWYHKQS-QGZVFWFLSA-N 0 3 356.388 3.234 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000598311385 507372747 /nfs/dbraw/zinc/37/27/47/507372747.db2.gz VFYMREFBXNDGOG-AQNXPRMDSA-N 0 3 351.450 3.048 20 30 FGEDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2ncc3c(c2C#N)CCC3)C1 ZINC000591823985 507379870 /nfs/dbraw/zinc/37/98/70/507379870.db2.gz YHMGHWXFWJRYNM-OAHLLOKOSA-N 0 3 367.522 3.165 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)C3(C#N)CC4(CC4)C3)C2)s1 ZINC000601560162 507387409 /nfs/dbraw/zinc/38/74/09/507387409.db2.gz QUJMWQYFGANJNO-MRXNPFEDSA-N 0 3 357.523 3.421 20 30 FGEDHN N#Cc1ccc(CCN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000595362010 507470873 /nfs/dbraw/zinc/47/08/73/507470873.db2.gz FXDQBPYNUHIVNJ-UHFFFAOYSA-N 0 3 359.473 3.402 20 30 FGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000595396716 507481078 /nfs/dbraw/zinc/48/10/78/507481078.db2.gz FHGVBKUCEFDHGQ-UHFFFAOYSA-N 0 3 371.794 3.431 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000601856250 507490423 /nfs/dbraw/zinc/49/04/23/507490423.db2.gz ZYWYMYDHWAXDOI-OALUTQOASA-N 0 3 351.450 3.096 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000614403202 507497641 /nfs/dbraw/zinc/49/76/41/507497641.db2.gz KBVUPCJPWVKNCM-HXUWFJFHSA-N 0 3 351.494 3.481 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000595447469 507502482 /nfs/dbraw/zinc/50/24/82/507502482.db2.gz FNAVHFZLALBQSE-IBGZPJMESA-N 0 3 354.498 3.029 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000611092212 507513329 /nfs/dbraw/zinc/51/33/29/507513329.db2.gz LQBCADONEURUOX-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN COCCCN1CCC(NC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611093933 507515295 /nfs/dbraw/zinc/51/52/95/507515295.db2.gz OWCOGSGRUNJFGW-UHFFFAOYSA-N 0 3 370.280 3.096 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592185433 507528124 /nfs/dbraw/zinc/52/81/24/507528124.db2.gz ZEZQOFRGFLZWEU-KQNFGGRRSA-N 0 3 361.530 3.197 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595533498 507546177 /nfs/dbraw/zinc/54/61/77/507546177.db2.gz AMBGSTLGSRQGOK-HOJAQTOUSA-N 0 3 354.498 3.232 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H](C)C1 ZINC000595536730 507549438 /nfs/dbraw/zinc/54/94/38/507549438.db2.gz ULJLJMVDZDGSOR-SJORKVTESA-N 0 3 374.554 3.435 20 30 FGEDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000611205328 507560910 /nfs/dbraw/zinc/56/09/10/507560910.db2.gz VAIORIVFXRKFPB-RBUKOAKNSA-N 0 3 357.498 3.297 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000598713376 507563741 /nfs/dbraw/zinc/56/37/41/507563741.db2.gz BOBVPBSZNNWMHW-FQEVSTJZSA-N 0 3 364.493 3.035 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000595594588 507581214 /nfs/dbraw/zinc/58/12/14/507581214.db2.gz GDSHOFBIMWAGRB-JEYLPNPQSA-N 0 3 372.435 3.127 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CNc2cccc(C(F)(F)F)c2)CC1 ZINC000592313509 507603440 /nfs/dbraw/zinc/60/34/40/507603440.db2.gz ZXACUHBWTPEUSV-UHFFFAOYSA-N 0 3 355.404 3.274 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595636756 507608134 /nfs/dbraw/zinc/60/81/34/507608134.db2.gz ISZFUBHDTNOTPF-DYESRHJHSA-N 0 3 362.477 3.063 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 ZINC000592334204 507609018 /nfs/dbraw/zinc/60/90/18/507609018.db2.gz GKAKWCSQXIUWDS-UHFFFAOYSA-N 0 3 357.502 3.234 20 30 FGEDHN CCc1cc(C#N)c(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)s1 ZINC000598806671 507611252 /nfs/dbraw/zinc/61/12/52/507611252.db2.gz BRKSVFPQNSVUBW-CMPLNLGQSA-N 0 3 362.373 3.105 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)N2CCC[C@@H](CC#N)C2)CCC1 ZINC000595648605 507612185 /nfs/dbraw/zinc/61/21/85/507612185.db2.gz YAMKZJGQOGKWJD-IBGZPJMESA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@@H](c3ccccc3)c3cncnc3)CC2)nc1 ZINC000585794329 507632318 /nfs/dbraw/zinc/63/23/18/507632318.db2.gz MMAJXJRQYKDHDU-QFIPXVFZSA-N 0 3 370.460 3.091 20 30 FGEDHN CNC(=O)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)Cc1ccc(F)cc1C ZINC000592391672 507635189 /nfs/dbraw/zinc/63/51/89/507635189.db2.gz XKTVBQBTRXUJAU-NQIIRXRSSA-N 0 3 365.452 3.188 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000586792386 507673655 /nfs/dbraw/zinc/67/36/55/507673655.db2.gz RZWLXWJLIMBZPV-QGZVFWFLSA-N 0 3 365.452 3.363 20 30 FGEDHN COc1cc(CN2CCC[C@@H]2[C@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000595765414 507674849 /nfs/dbraw/zinc/67/48/49/507674849.db2.gz GTIZEDNEJVKADS-OXJNMPFZSA-N 0 3 366.461 3.491 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3ncccc3C(F)(F)F)CC2)nc1 ZINC000611438876 507682920 /nfs/dbraw/zinc/68/29/20/507682920.db2.gz CYOYYESETYCVST-UHFFFAOYSA-N 0 3 361.371 3.126 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(CO)CCCCC1 ZINC000611463057 507692167 /nfs/dbraw/zinc/69/21/67/507692167.db2.gz RQKUWKRUCPXKEK-HNNXBMFYSA-N 0 3 361.511 3.162 20 30 FGEDHN COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1OC(F)F ZINC000602511942 507732134 /nfs/dbraw/zinc/73/21/34/507732134.db2.gz WIEPMNKAZZUAJN-CYBMUJFWSA-N 0 3 354.397 3.485 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000602525057 507736134 /nfs/dbraw/zinc/73/61/34/507736134.db2.gz QDPFIJMNWKYDGM-INIZCTEOSA-N 0 3 353.388 3.465 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000602520146 507736860 /nfs/dbraw/zinc/73/68/60/507736860.db2.gz FNNWQQRXWRVXSR-RTBURBONSA-N 0 3 371.525 3.096 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CNC2(COC)CCCCC2)cc1 ZINC000595911118 507738505 /nfs/dbraw/zinc/73/85/05/507738505.db2.gz NDPQXLQHWFYNRX-UHFFFAOYSA-N 0 3 373.497 3.271 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000602531960 507740077 /nfs/dbraw/zinc/74/00/77/507740077.db2.gz YFUARQJCXDDRMD-SFHVURJKSA-N 0 3 365.477 3.085 20 30 FGEDHN N#CC1CCC(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000602546684 507744815 /nfs/dbraw/zinc/74/48/15/507744815.db2.gz KFYPPYDUWVKLOE-LDZOIKDWSA-N 0 3 351.372 3.483 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000602547804 507746477 /nfs/dbraw/zinc/74/64/77/507746477.db2.gz PEXACTDFEURLMY-YOEHRIQHSA-N 0 3 351.441 3.256 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000595938502 507749665 /nfs/dbraw/zinc/74/96/65/507749665.db2.gz NCQBKGZJOKRYIO-MRXNPFEDSA-N 0 3 369.296 3.053 20 30 FGEDHN C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820431830 599394584 /nfs/dbraw/zinc/39/45/84/599394584.db2.gz ILWNUJVHFFWEGT-OAHLLOKOSA-N 0 3 361.453 3.067 20 30 FGEDHN C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820431830 599394587 /nfs/dbraw/zinc/39/45/87/599394587.db2.gz ILWNUJVHFFWEGT-OAHLLOKOSA-N 0 3 361.453 3.067 20 30 FGEDHN C[C@H](CCC#N)CNc1cc(N2CCOCC2)c(Br)cn1 ZINC000602686897 673909593 /nfs/dbraw/zinc/90/95/93/673909593.db2.gz SBCXZVFINZQRTK-GFCCVEGCSA-N 0 3 353.264 3.032 20 30 FGEDHN N#CC(C(=O)Cc1ccoc1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000123590639 700707194 /nfs/dbraw/zinc/70/71/94/700707194.db2.gz FYVISMDJLJENTQ-CYBMUJFWSA-N 0 3 350.346 3.484 20 30 FGEDHN N#CC(C(=O)CCCc1ccccc1Br)C(=O)N1CCCC1 ZINC000131928724 700821708 /nfs/dbraw/zinc/82/17/08/700821708.db2.gz KDRGEPPTUGPJFN-CQSZACIVSA-N 0 3 363.255 3.103 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175095358 705532385 /nfs/dbraw/zinc/53/23/85/705532385.db2.gz YROVIFKQRKMQQZ-NEPJUHHUSA-N 0 3 356.875 3.145 20 30 FGEDHN CCc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000181254222 705780745 /nfs/dbraw/zinc/78/07/45/705780745.db2.gz YOALJCHUPCGOLZ-LBPRGKRZSA-N 0 3 365.220 3.250 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000193379489 712889028 /nfs/dbraw/zinc/88/90/28/712889028.db2.gz SJIULJKHYPPCMR-LBPRGKRZSA-N 0 3 357.237 3.387 20 30 FGEDHN CN1CCCC[C@@H]1CCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000329467420 713829706 /nfs/dbraw/zinc/82/97/06/713829706.db2.gz WOGSMVVNLLPIHY-GDBMZVCRSA-N 0 3 350.484 3.126 20 30 FGEDHN CN1CCCC[C@@H]1CCC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000329467421 713829813 /nfs/dbraw/zinc/82/98/13/713829813.db2.gz WOGSMVVNLLPIHY-ZBFHGGJFSA-N 0 3 350.484 3.126 20 30 FGEDHN C[C@]1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCOC1 ZINC000329570614 713830625 /nfs/dbraw/zinc/83/06/25/713830625.db2.gz UOJACKBABXNXDH-LJQANCHMSA-N 0 3 363.527 3.030 20 30 FGEDHN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)NC[C@@H]1CCc2nccn2C1 ZINC000329905562 713833406 /nfs/dbraw/zinc/83/34/06/713833406.db2.gz RPMMSEDLQZDXJL-MELADBBJSA-N 0 3 358.408 3.318 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN1CCCCC1 ZINC000523490336 714236832 /nfs/dbraw/zinc/23/68/32/714236832.db2.gz GZCOYWIAWQUXSE-UHFFFAOYSA-N 0 3 356.388 3.486 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000619825596 714873436 /nfs/dbraw/zinc/87/34/36/714873436.db2.gz ULUZMLLDXXTRKX-OAHLLOKOSA-N 0 3 356.495 3.454 20 30 FGEDHN C=CC[C@@H]1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000625705127 715776671 /nfs/dbraw/zinc/77/66/71/715776671.db2.gz SDEUMUGSBWUTKT-QGZVFWFLSA-N 0 3 359.539 3.072 20 30 FGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)sc2nccn12 ZINC000780306675 724457255 /nfs/dbraw/zinc/45/72/55/724457255.db2.gz ZXDGFLNCSJIECR-LBPRGKRZSA-N 0 3 358.810 3.319 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780306758 724457295 /nfs/dbraw/zinc/45/72/95/724457295.db2.gz ZSMDJFMLPPMATA-MHOHDPQLSA-N 0 3 353.205 3.066 20 30 FGEDHN C=CCSc1ccccc1NC(=O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000640860429 717821593 /nfs/dbraw/zinc/82/15/93/717821593.db2.gz LFHKBVIHBUIYDU-KRWDZBQOSA-N 0 3 359.499 3.241 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000647582085 718368246 /nfs/dbraw/zinc/36/82/46/718368246.db2.gz BMRUGTFCYSMXQK-PKOBYXMFSA-N 0 3 350.528 3.356 20 30 FGEDHN N#Cc1cnc(Cl)cc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900532 721514226 /nfs/dbraw/zinc/51/42/26/721514226.db2.gz RWOZQSIGTMQWOA-NVXWUHKLSA-N 0 3 372.831 3.088 20 30 FGEDHN N#Cc1cc(Cl)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909840 721547640 /nfs/dbraw/zinc/54/76/40/721547640.db2.gz SBYPCNODNAQPJW-AEFFLSMTSA-N 0 3 372.831 3.088 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNCCc1ccccc1O ZINC000725850718 722424745 /nfs/dbraw/zinc/42/47/45/722424745.db2.gz AFIYNUGNVBVEKE-UHFFFAOYSA-N 0 3 360.251 3.499 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN1CCC[C@@H]1C ZINC000744346261 722576012 /nfs/dbraw/zinc/57/60/12/722576012.db2.gz XHISANBDTANXAN-ZDUSSCGKSA-N 0 3 356.388 3.484 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C(C)=O)cc1Cl ZINC000755747962 722956453 /nfs/dbraw/zinc/95/64/53/722956453.db2.gz GAJIMSJUGVVKAD-ZDUSSCGKSA-N 0 3 364.829 3.391 20 30 FGEDHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000757318247 722975873 /nfs/dbraw/zinc/97/58/73/722975873.db2.gz UCTIJYOIJBMKDB-OUCADQQQSA-N 0 3 365.524 3.390 20 30 FGEDHN CC(C)CO[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000759400938 723003961 /nfs/dbraw/zinc/00/39/61/723003961.db2.gz IVIDLYFRGNLIEA-LSDHHAIUSA-N 0 3 357.479 3.219 20 30 FGEDHN C#CCNC(=O)CCN[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000790676109 723166857 /nfs/dbraw/zinc/16/68/57/723166857.db2.gz JHARPBCIDOBVSQ-LJQANCHMSA-N 0 3 371.278 3.268 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cnc(OC)c(Cl)c2)cc1 ZINC000793123482 723401984 /nfs/dbraw/zinc/40/19/84/723401984.db2.gz IDBRRFJPUQFVPM-CQSZACIVSA-N 0 3 357.797 3.267 20 30 FGEDHN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000793127812 723402807 /nfs/dbraw/zinc/40/28/07/723402807.db2.gz YGWSFVTXIBPEHS-IUODEOHRSA-N 0 3 352.356 3.262 20 30 FGEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)[C@H](O)c1c(F)cccc1Cl ZINC000793584119 723451359 /nfs/dbraw/zinc/45/13/59/723451359.db2.gz LLHCHHNHZYZOPJ-ZMZPIMSZSA-N 0 3 358.804 3.210 20 30 FGEDHN C#CCNC(=O)C1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000769026859 723674914 /nfs/dbraw/zinc/67/49/14/723674914.db2.gz VGGUWTHTFZFHOI-UHFFFAOYSA-N 0 3 356.413 3.260 20 30 FGEDHN C[C@H](NC(=O)c1ccccc1)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797568510 723836019 /nfs/dbraw/zinc/83/60/19/723836019.db2.gz SIVMQNRADFVEQW-JSGCOSHPSA-N 0 3 355.463 3.435 20 30 FGEDHN C[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)N(C)CC(F)(F)F ZINC000798828217 723967071 /nfs/dbraw/zinc/96/70/71/723967071.db2.gz XBICUYUYPVACNA-PSASIEDQSA-N 0 3 359.348 3.494 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccn(C(F)F)n1 ZINC000776076299 724106736 /nfs/dbraw/zinc/10/67/36/724106736.db2.gz FARCQEATBULWHX-MRVPVSSYSA-N 0 3 356.691 3.032 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000801734510 724329136 /nfs/dbraw/zinc/32/91/36/724329136.db2.gz GNKIFPAVGPSJSJ-DNVCBOLYSA-N 0 3 363.885 3.009 20 30 FGEDHN C[C@H](C#N)OCCN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000801931613 724347179 /nfs/dbraw/zinc/34/71/79/724347179.db2.gz JRACQBCCQZJCLQ-HIFRSBDPSA-N 0 3 360.845 3.498 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC(C)(C)OC ZINC000786309357 724972207 /nfs/dbraw/zinc/97/22/07/724972207.db2.gz HMIYCFQZJCHPQF-LLVKDONJSA-N 0 3 352.818 3.120 20 30 FGEDHN COc1ccccc1[C@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000810133116 725291658 /nfs/dbraw/zinc/29/16/58/725291658.db2.gz AZPGIVJNMGXZOM-MRXNPFEDSA-N 0 3 350.340 3.409 20 30 FGEDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211379 726851345 /nfs/dbraw/zinc/85/13/45/726851345.db2.gz JEYZOHIQJVVMMI-UBHSHLNASA-N 0 3 356.344 3.251 20 30 FGEDHN Cc1cc(C)[nH]c(=NNC=C(CC(F)(F)F)NC(=O)OC(C)(C)C)n1 ZINC000814681550 726992799 /nfs/dbraw/zinc/99/27/99/726992799.db2.gz QXDZLRDBEDGMNQ-LLVKDONJSA-N 0 3 361.368 3.337 20 30 FGEDHN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000818159209 727297899 /nfs/dbraw/zinc/29/78/99/727297899.db2.gz FHLXYQMHGWSBPG-GJZGRUSLSA-N 0 3 365.909 3.186 20 30 FGEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccc(Br)c(C)c1 ZINC000818589037 727315383 /nfs/dbraw/zinc/31/53/83/727315383.db2.gz NDTGFYZRWNNPEY-UHFFFAOYSA-N 0 3 365.315 3.106 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCN(C3CC3)C2)s1 ZINC000819162017 727353985 /nfs/dbraw/zinc/35/39/85/727353985.db2.gz CWWMAAPDOOUIPJ-LBPRGKRZSA-N 0 3 371.959 3.192 20 30 FGEDHN N#CC(C(=O)C[C@H]1CSc2ccccc2O1)C(=O)NC1CCCCC1 ZINC000835062439 729854433 /nfs/dbraw/zinc/85/44/33/729854433.db2.gz UKUWALLCCZDLFH-LSDHHAIUSA-N 0 3 358.463 3.088 20 30 FGEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000835062554 729854465 /nfs/dbraw/zinc/85/44/65/729854465.db2.gz CYTQPXPBYTWAEC-BXUZGUMPSA-N 0 3 352.818 3.120 20 30 FGEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000838624138 730131741 /nfs/dbraw/zinc/13/17/41/730131741.db2.gz JAERDPLAVOTMCK-UHFFFAOYSA-N 0 3 352.276 3.143 20 30 FGEDHN CC[C@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842289719 730481149 /nfs/dbraw/zinc/48/11/49/730481149.db2.gz SLEMRGJSALODJX-IUODEOHRSA-N 0 3 363.255 3.005 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2cc(Cl)ccc2Br)CC1 ZINC000843615168 730637301 /nfs/dbraw/zinc/63/73/01/730637301.db2.gz OZGZIWPPHPITMM-UHFFFAOYSA-N 0 3 369.690 3.064 20 30 FGEDHN CN(CCC(=O)Nc1cccc(Cl)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371434 730708452 /nfs/dbraw/zinc/70/84/52/730708452.db2.gz YQTQCHZQDOWYKO-GOSISDBHSA-N 0 3 357.841 3.206 20 30 FGEDHN N#CC1(COC(=O)CSC(F)F)CCN(Cc2ccccc2)CC1 ZINC000847746342 731086690 /nfs/dbraw/zinc/08/66/90/731086690.db2.gz DRXPXCPVVKDESW-UHFFFAOYSA-N 0 3 354.422 3.291 20 30 FGEDHN C=CCOc1ccc(CNCC[S@](=O)CC(F)(F)F)cc1Cl ZINC000850347986 731345785 /nfs/dbraw/zinc/34/57/85/731345785.db2.gz BZVUEOHKEAYECD-QFIPXVFZSA-N 0 3 355.809 3.305 20 30 FGEDHN CC(C)(C)n1nnc(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000850771296 731387009 /nfs/dbraw/zinc/38/70/09/731387009.db2.gz LLFDAQLMGWWGDB-SNVBAGLBSA-N 0 3 374.857 3.110 20 30 FGEDHN Cc1cc([C@H](N)CC(=O)NC(C)(C)c2cccc(C#N)c2)cc(Cl)n1 ZINC000851641634 731481286 /nfs/dbraw/zinc/48/12/86/731481286.db2.gz NXYGEPQFPNCTBK-MRXNPFEDSA-N 0 3 356.857 3.357 20 30 FGEDHN C=CCOCCN1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606971 732359807 /nfs/dbraw/zinc/35/98/07/732359807.db2.gz UAHNFEZWZAJZHA-ZIAGYGMSSA-N 0 3 366.424 3.214 20 30 FGEDHN COC1CC(C(=O)C(C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000860693335 732555418 /nfs/dbraw/zinc/55/54/18/732555418.db2.gz GDSDWZDGIBBTMH-IGMHRUFCSA-N 0 3 369.248 3.304 20 30 FGEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CCCN(C)[C@@H]2c2cccs2)C1=O ZINC000865304063 733176945 /nfs/dbraw/zinc/17/69/45/733176945.db2.gz ACSJGLJKGOIFAO-IPYPFGDCSA-N 0 3 367.902 3.194 20 30 FGEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@H](c2ccc(SC)cc2)N(C)C)C1=O ZINC000865309761 733178467 /nfs/dbraw/zinc/17/84/67/733178467.db2.gz NTIKJLHMBJPMGO-LSDHHAIUSA-N 0 3 367.902 3.074 20 30 FGEDHN N#Cc1cccc([C@@H](NC(=O)c2cc3c(s2)CCNC3)C(F)(F)F)c1 ZINC000871019628 733907607 /nfs/dbraw/zinc/90/76/07/733907607.db2.gz AXYHVKYAKKYIFN-OAHLLOKOSA-N 0 3 365.380 3.299 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000876641355 736125454 /nfs/dbraw/zinc/12/54/54/736125454.db2.gz MOODCMKTBWPBQO-KGLIPLIRSA-N 0 3 363.672 3.363 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000876697819 736133275 /nfs/dbraw/zinc/13/32/75/736133275.db2.gz JJNVUUGSBCEDRC-JKSUJKDBSA-N 0 3 364.898 3.280 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(I)ccc1C ZINC000876942843 736165785 /nfs/dbraw/zinc/16/57/85/736165785.db2.gz GZCQUSKQWALHTQ-SNVBAGLBSA-N 0 3 364.614 3.008 20 30 FGEDHN COc1ccc(N2CC[C@H](CNCc3cc(C#N)cnc3Cl)C2)cc1 ZINC000877598058 736690270 /nfs/dbraw/zinc/69/02/70/736690270.db2.gz HGAJIXJMDDAZNQ-CQSZACIVSA-N 0 3 356.857 3.231 20 30 FGEDHN N#CCCn1cc(CN2CC[C@H]3CSC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000877740516 736712331 /nfs/dbraw/zinc/71/23/31/736712331.db2.gz VWFYGGBFUHTGAG-WMZOPIPTSA-N 0 3 353.495 3.044 20 30 FGEDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1[O-] ZINC000879648252 737023018 /nfs/dbraw/zinc/02/30/18/737023018.db2.gz GSNGEZFCGPDPFR-NEPJUHHUSA-N 0 3 355.463 3.492 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N(Cc1ccsc1)c1ccccc1)C2 ZINC000884118278 737634931 /nfs/dbraw/zinc/63/49/31/737634931.db2.gz ALWIPDGXLRZXTL-OHTSDLOESA-N 0 3 351.475 3.421 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(-c3cccs3)cc1)C2 ZINC000884400488 737661411 /nfs/dbraw/zinc/66/14/11/737661411.db2.gz JRLAEBBDWLXHKZ-OHTSDLOESA-N 0 3 351.475 3.171 20 30 FGEDHN C#CCN(C(=O)[C@@H](C)c1ccc(Br)s1)C1CCN(C)CC1 ZINC000886581215 739272409 /nfs/dbraw/zinc/27/24/09/739272409.db2.gz NZFLDRMCBPLBMR-LBPRGKRZSA-N 0 3 369.328 3.170 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cn2)N(C)C)cc1 ZINC000889236810 739645413 /nfs/dbraw/zinc/64/54/13/739645413.db2.gz BEOMVJAZJCGIFJ-MRXNPFEDSA-N 0 3 355.467 3.100 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892498120 740007279 /nfs/dbraw/zinc/00/72/79/740007279.db2.gz FAWUNQSNRWUYGB-AAEUAGOBSA-N 0 3 364.804 3.476 20 30 FGEDHN CC(C)Cn1ccc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000892498633 740007665 /nfs/dbraw/zinc/00/76/65/740007665.db2.gz KYYIGEDXNOHIOS-GFCCVEGCSA-N 0 3 362.792 3.293 20 30 FGEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000892550249 740015385 /nfs/dbraw/zinc/01/53/85/740015385.db2.gz CZXOCKUJDDMOSS-CYBMUJFWSA-N 0 3 354.435 3.004 20 30 FGEDHN N#Cc1sccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000907876477 744244049 /nfs/dbraw/zinc/24/40/49/744244049.db2.gz XNSIGHUNOQFHKW-UHFFFAOYSA-N 0 3 357.401 3.155 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC000940752706 762160014 /nfs/dbraw/zinc/16/00/14/762160014.db2.gz DDNYNIQSXKKMFB-QLFBSQMISA-N 0 3 362.436 3.137 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000948852385 762353483 /nfs/dbraw/zinc/35/34/83/762353483.db2.gz MPKJYHRCIMBNMT-PMPSAXMXSA-N 0 3 362.436 3.233 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000916918615 758153839 /nfs/dbraw/zinc/15/38/39/758153839.db2.gz UONOELOLYDMIOX-CYBMUJFWSA-N 0 3 359.838 3.017 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000916917558 758153853 /nfs/dbraw/zinc/15/38/53/758153853.db2.gz LJFWRJDIRXPQFN-MRVPVSSYSA-N 0 3 361.612 3.037 20 30 FGEDHN CCN(CC)C(=O)CCCNCc1cc(C#N)ccc1Br ZINC000921531031 758736019 /nfs/dbraw/zinc/73/60/19/758736019.db2.gz GADREPMVFPUCNO-UHFFFAOYSA-N 0 3 352.276 3.059 20 30 FGEDHN CCN1CCN(c2ccc(CNCc3csc(C#N)c3)cc2F)CC1 ZINC000921705451 758774958 /nfs/dbraw/zinc/77/49/58/758774958.db2.gz VIARTEGSMLDURT-UHFFFAOYSA-N 0 3 358.486 3.191 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000932144669 761067611 /nfs/dbraw/zinc/06/76/11/761067611.db2.gz VCQNCUGVBBUIHN-UHFFFAOYSA-N 0 3 361.433 3.408 20 30 FGEDHN COC(CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)OC ZINC000932943027 761281618 /nfs/dbraw/zinc/28/16/18/761281618.db2.gz JMRFFCYMMZQVBH-YUMQZZPRSA-N 0 3 371.268 3.098 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000970017765 762865860 /nfs/dbraw/zinc/86/58/60/762865860.db2.gz ZKSAGKDLPYQCGM-CPUCHLNUSA-N 0 3 369.292 3.275 20 30 FGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C[C@]2(C)C1 ZINC000982279718 763580713 /nfs/dbraw/zinc/58/07/13/763580713.db2.gz FKGHVPWKKUKVFV-DGQTTZFYSA-N 0 3 356.535 3.354 20 30 FGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000998986688 765130400 /nfs/dbraw/zinc/13/04/00/765130400.db2.gz BAHTWZRPPTWICS-NWINJMCUSA-N 0 3 350.812 3.463 20 30 FGEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)CC1 ZINC001000249996 765210314 /nfs/dbraw/zinc/21/03/14/765210314.db2.gz VZNMLJFRPVDJOG-HUUCEWRRSA-N 0 3 362.926 3.499 20 30 FGEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC001000288551 765215576 /nfs/dbraw/zinc/21/55/76/765215576.db2.gz ZORPIKOYPRTDDS-RBUKOAKNSA-N 0 3 356.897 3.438 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCCN2CC(=C)Cl)CC1 ZINC001004552275 765436635 /nfs/dbraw/zinc/43/66/35/765436635.db2.gz MHKCHFIVMDFAPL-KURKYZTESA-N 0 3 352.906 3.033 20 30 FGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC001016688612 765820025 /nfs/dbraw/zinc/82/00/25/765820025.db2.gz TVFLECRUDXBUTP-BZUAXINKSA-N 0 3 354.416 3.125 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001020726489 765887668 /nfs/dbraw/zinc/88/76/68/765887668.db2.gz NNTIKHXOUVQPBV-OVWQWFNUSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1cc(C)sc1C ZINC001028194943 766119346 /nfs/dbraw/zinc/11/93/46/766119346.db2.gz GZWSRRLMWDUUKA-FHWLQOOXSA-N 0 3 362.539 3.427 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)s1 ZINC001035060482 766254340 /nfs/dbraw/zinc/25/43/40/766254340.db2.gz QBGHVJGTTIWZFY-KBRIMQKVSA-N 0 3 355.463 3.097 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ccc(Cl)cc1F ZINC001045208224 766517263 /nfs/dbraw/zinc/51/72/63/766517263.db2.gz YLACMHVNLJVPNA-JZXOWHBKSA-N 0 3 366.864 3.151 20 30 FGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2 ZINC001045973772 766579344 /nfs/dbraw/zinc/57/93/44/766579344.db2.gz UTOMHEVOYZAQKD-DBXWQHBBSA-N 0 3 356.535 3.498 20 30 FGEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001046936780 766608040 /nfs/dbraw/zinc/60/80/40/766608040.db2.gz BKWFMMBZRUJOKM-BZUAXINKSA-N 0 3 366.477 3.257 20 30 FGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2 ZINC001054211943 767003830 /nfs/dbraw/zinc/00/38/30/767003830.db2.gz BFZYOLRYHHDYFC-DBXWQHBBSA-N 0 3 356.535 3.498 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCCN(Cc2ccccc2)CC1 ZINC000023630471 257334773 /nfs/dbraw/zinc/33/47/73/257334773.db2.gz XFLPLNHKHXTXIV-UHFFFAOYSA-N 0 3 368.506 3.156 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000567951721 505582464 /nfs/dbraw/zinc/58/24/64/505582464.db2.gz JAOYPPITWNWOAM-DLBZAZTESA-N 0 3 352.459 3.428 20 30 FGEDHN Cc1ccccc1C(NC[C@@H](O)CN(C)CCC#N)c1ccccc1C ZINC000579584153 505580943 /nfs/dbraw/zinc/58/09/43/505580943.db2.gz GTMNCSMMTGEGQX-LJQANCHMSA-N 0 3 351.494 3.189 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000579587009 505581363 /nfs/dbraw/zinc/58/13/63/505581363.db2.gz QOIZGJSRXWBDLV-UTKZUKDTSA-N 0 3 362.477 3.215 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)C(=O)NCc1ccc(CC#N)cc1 ZINC000570839159 505592455 /nfs/dbraw/zinc/59/24/55/505592455.db2.gz LCTDBMMKEOPMBW-UHFFFAOYSA-N 0 3 350.466 3.026 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)c2ncc(C#N)cc2Cl)N(C)C)cc1 ZINC000570848711 505594722 /nfs/dbraw/zinc/59/47/22/505594722.db2.gz PNNPRKUHSZKTGF-INIZCTEOSA-N 0 3 374.897 3.361 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000598588670 507507708 /nfs/dbraw/zinc/50/77/08/507507708.db2.gz MXJCJRPQSIDHNU-AWEZNQCLSA-N 0 3 359.297 3.479 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCN(C(=O)CCc3ccccc3)C1)CC2 ZINC000571128226 505659193 /nfs/dbraw/zinc/65/91/93/505659193.db2.gz OLBZWXLBPJMVID-RBBKRZOGSA-N 0 3 359.473 3.369 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]3CN3CCCCC3)o2)cc1 ZINC000075711954 493772129 /nfs/dbraw/zinc/77/21/29/493772129.db2.gz SEQYLJAFZUBWFW-SFHVURJKSA-N 0 3 351.454 3.059 20 30 FGEDHN COc1ccccc1C[C@H](C)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000075896558 493792876 /nfs/dbraw/zinc/79/28/76/493792876.db2.gz MOKPNQQFLZJARP-PXNSSMCTSA-N 0 3 368.477 3.064 20 30 FGEDHN C[C@@]1(NC(=O)NCc2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000577182644 505681326 /nfs/dbraw/zinc/68/13/26/505681326.db2.gz KCVNITFYQKCIDF-LJQANCHMSA-N 0 3 354.479 3.084 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000028922080 493808707 /nfs/dbraw/zinc/80/87/07/493808707.db2.gz QNXFQJYDSPREBJ-DZGCQCFKSA-N 0 3 362.376 3.250 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081124926 493836156 /nfs/dbraw/zinc/83/61/56/493836156.db2.gz XHLNQEGOMFSCBG-PXNSSMCTSA-N 0 3 363.461 3.058 20 30 FGEDHN N#Cc1ccc(NCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000050025635 493892302 /nfs/dbraw/zinc/89/23/02/493892302.db2.gz WPLPJXVZHDXKLW-UHFFFAOYSA-N 0 3 362.477 3.272 20 30 FGEDHN C=CCc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc(OC)c1OC ZINC000058919549 493893386 /nfs/dbraw/zinc/89/33/86/493893386.db2.gz ROHWJIQTZNYKRH-SFHVURJKSA-N 0 3 358.482 3.133 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(C#N)c1 ZINC000050076370 493895169 /nfs/dbraw/zinc/89/51/69/493895169.db2.gz IPNNRZBNSJADGD-FQEVSTJZSA-N 0 3 363.465 3.472 20 30 FGEDHN COc1cccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC ZINC000068991047 493903586 /nfs/dbraw/zinc/90/35/86/493903586.db2.gz LCKGAJYYERFFRD-QGZVFWFLSA-N 0 3 369.440 3.473 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000069334102 493958259 /nfs/dbraw/zinc/95/82/59/493958259.db2.gz NJRIYSTXDRXSHR-GASCZTMLSA-N 0 3 374.460 3.050 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000051425565 493969132 /nfs/dbraw/zinc/96/91/32/493969132.db2.gz YXCYJIIIOFKATM-FQEVSTJZSA-N 0 3 354.425 3.296 20 30 FGEDHN COc1ccccc1[C@H]1CCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000069610723 493987191 /nfs/dbraw/zinc/98/71/91/493987191.db2.gz VJKKUBIKJPTEFQ-GHTZIAJQSA-N 0 3 366.461 3.338 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3sccc3C#N)c(C)c2)CC1 ZINC000052028730 494000362 /nfs/dbraw/zinc/00/03/62/494000362.db2.gz PHLMDDPMMJPIOL-UHFFFAOYSA-N 0 3 354.479 3.322 20 30 FGEDHN CC[C@H]1CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000042243463 494211976 /nfs/dbraw/zinc/21/19/76/494211976.db2.gz KMCZISVWGAAGBN-KRWDZBQOSA-N 0 3 352.400 3.438 20 30 FGEDHN COc1cc(CN(C)CC[C@@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000072712955 494237339 /nfs/dbraw/zinc/23/73/39/494237339.db2.gz GIEZHPFHOQYQBV-MRXNPFEDSA-N 0 3 354.450 3.349 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn(C)c2ccccc12 ZINC000065930174 494256929 /nfs/dbraw/zinc/25/69/29/494256929.db2.gz YNDVLVLNSVFSHS-UHFFFAOYSA-N 0 3 374.488 3.183 20 30 FGEDHN C[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000043041601 494259518 /nfs/dbraw/zinc/25/95/18/494259518.db2.gz VPPFJVWVFJKASN-MBOZVWFJSA-N 0 3 356.514 3.456 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2cnccc21 ZINC000073020623 494307510 /nfs/dbraw/zinc/30/75/10/494307510.db2.gz PUVWZVBYZMRTEQ-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCN(C)C)cc1 ZINC000078537538 494316310 /nfs/dbraw/zinc/31/63/10/494316310.db2.gz MCDJOJSKNJXGMO-UHFFFAOYSA-N 0 3 368.437 3.384 20 30 FGEDHN C[C@H]1CCCN(CCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000055377886 494334782 /nfs/dbraw/zinc/33/47/82/494334782.db2.gz IGZLSXLPSHIKFK-INIZCTEOSA-N 0 3 367.449 3.192 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000017362897 494413410 /nfs/dbraw/zinc/41/34/10/494413410.db2.gz ZELXMSPLHYYVFQ-QGZVFWFLSA-N 0 3 363.461 3.106 20 30 FGEDHN C[C@H](CN1CCCC1=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905388 494436199 /nfs/dbraw/zinc/43/61/99/494436199.db2.gz GVDVEFOETXMZNO-QGZVFWFLSA-N 0 3 363.461 3.238 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(SCC#N)c2)o1 ZINC000079535933 494475171 /nfs/dbraw/zinc/47/51/71/494475171.db2.gz RTBJNFVQJBYWSP-UHFFFAOYSA-N 0 3 357.479 3.408 20 30 FGEDHN N#Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000067445922 494543629 /nfs/dbraw/zinc/54/36/29/494543629.db2.gz YZPRHUAGOQRVGJ-UHFFFAOYSA-N 0 3 363.417 3.138 20 30 FGEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nc2ccccc2n1C ZINC000091318593 494582843 /nfs/dbraw/zinc/58/28/43/494582843.db2.gz ROFGHJUEEYPHBR-OAHLLOKOSA-N 0 3 360.465 3.160 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067616646 494585931 /nfs/dbraw/zinc/58/59/31/494585931.db2.gz JQSZQIHJCGZXTI-NHCUHLMSSA-N 0 3 362.477 3.188 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067616653 494586002 /nfs/dbraw/zinc/58/60/02/494586002.db2.gz JQSZQIHJCGZXTI-SFTDATJTSA-N 0 3 362.477 3.188 20 30 FGEDHN C=CCN1CCC(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000091442740 494600796 /nfs/dbraw/zinc/60/07/96/494600796.db2.gz OQHUFELEDZPNGR-INIZCTEOSA-N 0 3 357.281 3.184 20 30 FGEDHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010556 494616556 /nfs/dbraw/zinc/61/65/56/494616556.db2.gz PGSHIUDZNHHZBD-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc2cccnc21 ZINC000047011740 494616954 /nfs/dbraw/zinc/61/69/54/494616954.db2.gz POEQJNLKCQECRF-UHFFFAOYSA-N 0 3 372.472 3.239 20 30 FGEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000047011231 494617605 /nfs/dbraw/zinc/61/76/05/494617605.db2.gz TVMXBXKEFZJUFB-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN C=CCCC[C@@H](C)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000091576916 494618508 /nfs/dbraw/zinc/61/85/08/494618508.db2.gz KAZQATVEVFDWDV-CYBMUJFWSA-N 0 3 356.454 3.020 20 30 FGEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000091594138 494623218 /nfs/dbraw/zinc/62/32/18/494623218.db2.gz AOEKWBHWABBSOP-GOSISDBHSA-N 0 3 359.514 3.386 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1sccc1C#N ZINC000092503385 494645961 /nfs/dbraw/zinc/64/59/61/494645961.db2.gz FILXNQUNNMOZNP-UHFFFAOYSA-N 0 3 354.479 3.393 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(COCc3ccco3)c2)CC1 ZINC000057175225 494667789 /nfs/dbraw/zinc/66/77/89/494667789.db2.gz MVPUGAZXJHBJFZ-UHFFFAOYSA-N 0 3 352.434 3.280 20 30 FGEDHN Cc1nn(C)c2ncc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cc12 ZINC000047372139 494691986 /nfs/dbraw/zinc/69/19/86/494691986.db2.gz KGCROEKUCYYWQU-ZDUSSCGKSA-N 0 3 359.311 3.181 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(Cl)c1 ZINC000067914839 494692372 /nfs/dbraw/zinc/69/23/72/494692372.db2.gz RXZSWFLODXJMGY-UHFFFAOYSA-N 0 3 355.869 3.345 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000075436483 494763930 /nfs/dbraw/zinc/76/39/30/494763930.db2.gz FZVJXHINZIAQHH-UHFFFAOYSA-N 0 3 368.456 3.491 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000047740352 494767043 /nfs/dbraw/zinc/76/70/43/494767043.db2.gz JVCGCOSSICWLRN-OAQYLSRUSA-N 0 3 363.461 3.276 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)CC1 ZINC000131939236 494779214 /nfs/dbraw/zinc/77/92/14/494779214.db2.gz OKALQXAMPGCPJP-UHFFFAOYSA-N 0 3 368.481 3.164 20 30 FGEDHN C#CCOc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000092145222 494798641 /nfs/dbraw/zinc/79/86/41/494798641.db2.gz CRKZEJPEMVJKQF-UHFFFAOYSA-N 0 3 354.494 3.169 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000109022589 494822234 /nfs/dbraw/zinc/82/22/34/494822234.db2.gz GNJMSNFKLKDEFL-INIZCTEOSA-N 0 3 360.527 3.047 20 30 FGEDHN CC1(C)CN(c2ccnc(C#N)n2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000568651134 505745490 /nfs/dbraw/zinc/74/54/90/505745490.db2.gz JYQUELPRSLCTKG-NRFANRHFSA-N 0 3 361.493 3.475 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1OCC(F)F ZINC000093242936 494850248 /nfs/dbraw/zinc/85/02/48/494850248.db2.gz ZVOGZDAIHWFDPE-GFCCVEGCSA-N 0 3 356.332 3.102 20 30 FGEDHN N#Cc1ccc2ncc(CN3CCC(c4ncc(C(F)(F)F)[nH]4)CC3)n2c1 ZINC000093566186 494901933 /nfs/dbraw/zinc/90/19/33/494901933.db2.gz ALEPFUVBGRNFCC-UHFFFAOYSA-N 0 3 374.370 3.327 20 30 FGEDHN N#Cc1cc(F)c(NCCCN2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000109809725 494920210 /nfs/dbraw/zinc/92/02/10/494920210.db2.gz IIVRHTXSHMGFAM-UHFFFAOYSA-N 0 3 370.447 3.456 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCOC2(CCCC2)C1)C(C)C ZINC000133053825 494961417 /nfs/dbraw/zinc/96/14/17/494961417.db2.gz PGKKDAPPHPYYRY-OALUTQOASA-N 0 3 363.546 3.476 20 30 FGEDHN N#CCOc1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000110610711 494994165 /nfs/dbraw/zinc/99/41/65/494994165.db2.gz PLGPWJMRQJDJAH-NRFANRHFSA-N 0 3 363.461 3.085 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000122757529 495026500 /nfs/dbraw/zinc/02/65/00/495026500.db2.gz RRDJJQWMPZQGHE-RDJZCZTQSA-N 0 3 371.506 3.330 20 30 FGEDHN CCn1nc(C)c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000122814952 495035245 /nfs/dbraw/zinc/03/52/45/495035245.db2.gz IBQGPKUNMNSEHN-UHFFFAOYSA-N 0 3 351.498 3.099 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000574372826 505757789 /nfs/dbraw/zinc/75/77/89/505757789.db2.gz TUJREJKDONERHK-PXNSSMCTSA-N 0 3 366.486 3.486 20 30 FGEDHN N#CC1CCC(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000568714785 505759081 /nfs/dbraw/zinc/75/90/81/505759081.db2.gz SILYMKGMZRQRKI-AFMYVXGZSA-N 0 3 354.498 3.453 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000101918403 495108557 /nfs/dbraw/zinc/10/85/57/495108557.db2.gz LIYMBRZDXMORJX-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN CCN(CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1CC1 ZINC000111849956 495119965 /nfs/dbraw/zinc/11/99/65/495119965.db2.gz SZHJSKVKRJMNND-UHFFFAOYSA-N 0 3 370.497 3.032 20 30 FGEDHN Cc1ccc([C@H](CNCc2cnc3ccc(C#N)cn23)N2CCCC2)cc1 ZINC000123516639 495144993 /nfs/dbraw/zinc/14/49/93/495144993.db2.gz CSABMOOYJDENGI-NRFANRHFSA-N 0 3 359.477 3.441 20 30 FGEDHN Cc1cc(F)ccc1N1CCC[C@H](NCc2cnc3ccc(C#N)cn23)C1 ZINC000123812901 495190316 /nfs/dbraw/zinc/19/03/16/495190316.db2.gz JYQWJMFJCUUSGU-SFHVURJKSA-N 0 3 363.440 3.412 20 30 FGEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000113229623 495287211 /nfs/dbraw/zinc/28/72/11/495287211.db2.gz VPQFFAKTSSODHN-NVXWUHKLSA-N 0 3 365.433 3.039 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000124591924 495312678 /nfs/dbraw/zinc/31/26/78/495312678.db2.gz CJSMXOUAESDGKE-IBGZPJMESA-N 0 3 354.450 3.293 20 30 FGEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000114200329 495353673 /nfs/dbraw/zinc/35/36/73/495353673.db2.gz SYVVJLGSCZKXME-UHFFFAOYSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@](O)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000114508739 495387149 /nfs/dbraw/zinc/38/71/49/495387149.db2.gz XPOZTOJSWAHWGV-QFIPXVFZSA-N 0 3 360.461 3.461 20 30 FGEDHN Cc1nccn1CCCN(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130509471 495403591 /nfs/dbraw/zinc/40/35/91/495403591.db2.gz ZQVBTCPBVGZXHC-CYBMUJFWSA-N 0 3 359.861 3.066 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000106036554 495405993 /nfs/dbraw/zinc/40/59/93/495405993.db2.gz YZANQDNXDZGSCR-HNAYVOBHSA-N 0 3 355.482 3.051 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)CC1 ZINC000106036596 495406061 /nfs/dbraw/zinc/40/60/61/495406061.db2.gz PDMFAGSDRKKNME-UHFFFAOYSA-N 0 3 367.497 3.161 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000106276076 495441528 /nfs/dbraw/zinc/44/15/28/495441528.db2.gz HCMRGVYNDCFPND-UHFFFAOYSA-N 0 3 365.905 3.401 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000106275914 495441868 /nfs/dbraw/zinc/44/18/68/495441868.db2.gz BXJIKCADRIZPHY-UHFFFAOYSA-N 0 3 370.541 3.176 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000106340596 495446410 /nfs/dbraw/zinc/44/64/10/495446410.db2.gz KOQSYJWIVOOYDN-IBGZPJMESA-N 0 3 361.486 3.011 20 30 FGEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000120858265 495472486 /nfs/dbraw/zinc/47/24/86/495472486.db2.gz HLTMUVAJBYFQAA-KXBFYZLASA-N 0 3 367.449 3.142 20 30 FGEDHN C=CCSCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000139915444 495484817 /nfs/dbraw/zinc/48/48/17/495484817.db2.gz NNZINDLHWOWBTM-UHFFFAOYSA-N 0 3 365.568 3.319 20 30 FGEDHN N#CCc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000139991210 495487375 /nfs/dbraw/zinc/48/73/75/495487375.db2.gz RXYHTIUSDMKXDI-KRWDZBQOSA-N 0 3 353.491 3.456 20 30 FGEDHN CCN1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115321520 495490266 /nfs/dbraw/zinc/49/02/66/495490266.db2.gz YILIYXWYPPOGOP-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131275251 495515696 /nfs/dbraw/zinc/51/56/96/495515696.db2.gz ZVLNZQVYEZBWCJ-MNEFBYGVSA-N 0 3 373.497 3.217 20 30 FGEDHN N#Cc1ccc([C@@H](NCCc2c[nH]c3cc(Cl)ccc23)C(N)=O)cc1 ZINC000115598607 495520730 /nfs/dbraw/zinc/52/07/30/495520730.db2.gz DLCVQVIJYOLLSU-GOSISDBHSA-N 0 3 352.825 3.052 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)CC1 ZINC000170946156 495663378 /nfs/dbraw/zinc/66/33/78/495663378.db2.gz DBQGYEWRKZUJKJ-UHFFFAOYSA-N 0 3 353.466 3.349 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](OC)c2cccc(Cl)c2)CC1 ZINC000176498383 495673637 /nfs/dbraw/zinc/67/36/37/495673637.db2.gz YVEWTDOKKMWKLA-SFHVURJKSA-N 0 3 365.905 3.367 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000150928854 495684695 /nfs/dbraw/zinc/68/46/95/495684695.db2.gz YOBZXPFIAVAOHW-RTWAWAEBSA-N 0 3 371.525 3.464 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000185735019 495702054 /nfs/dbraw/zinc/70/20/54/495702054.db2.gz CNXLFZNANLTXNH-WOJBJXKFSA-N 0 3 371.525 3.320 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734477 495710899 /nfs/dbraw/zinc/71/08/99/495710899.db2.gz SIGQFMMNKVFUGK-YWZLYKJASA-N 0 3 358.482 3.312 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000179753621 495719966 /nfs/dbraw/zinc/71/99/66/495719966.db2.gz IZXOEYBZECRXGK-CQSZACIVSA-N 0 3 365.315 3.394 20 30 FGEDHN CCOc1ccccc1[C@@H](CC)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000179748966 495716857 /nfs/dbraw/zinc/71/68/57/495716857.db2.gz JJPYVOYQXPSWFC-FXAWDEMLSA-N 0 3 354.450 3.438 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](CO)C/C=C/C)cc1OC ZINC000185821538 495738037 /nfs/dbraw/zinc/73/80/37/495738037.db2.gz XLTIPEHLJSANOB-YVARQFDVSA-N 0 3 370.287 3.439 20 30 FGEDHN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000179838631 495754051 /nfs/dbraw/zinc/75/40/51/495754051.db2.gz BJZMNAFAQBEHGN-ZDUSSCGKSA-N 0 3 361.511 3.232 20 30 FGEDHN COc1c(C)cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1C ZINC000179879993 495768728 /nfs/dbraw/zinc/76/87/28/495768728.db2.gz WIACPKIMXDKKPV-UHFFFAOYSA-N 0 3 365.477 3.388 20 30 FGEDHN N#Cc1c(CN2CCC(CCCN3CCOCC3)CC2)cn2ccccc12 ZINC000182951763 495772346 /nfs/dbraw/zinc/77/23/46/495772346.db2.gz CRYSOBDVOWQKAU-UHFFFAOYSA-N 0 3 366.509 3.135 20 30 FGEDHN N#Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1Cl ZINC000159847514 495822661 /nfs/dbraw/zinc/82/26/61/495822661.db2.gz CYRHXCAGKCIYCO-UHFFFAOYSA-N 0 3 354.841 3.253 20 30 FGEDHN CC[C@@H]1Oc2cc([C@H](C)NCCOc3ccc(C#N)cc3)ccc2NC1=O ZINC000180019495 495824938 /nfs/dbraw/zinc/82/49/38/495824938.db2.gz FPEAZFQBRNKZPZ-LIRRHRJNSA-N 0 3 365.433 3.397 20 30 FGEDHN C[C@@H]1C[C@H]1[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(Cl)cc1 ZINC000180032178 495831854 /nfs/dbraw/zinc/83/18/54/495831854.db2.gz OLVXARAXMBZPBV-LSBZLQRGSA-N 0 3 358.873 3.283 20 30 FGEDHN N#CCCCN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155162495 495858463 /nfs/dbraw/zinc/85/84/63/495858463.db2.gz ZVLRAHXEHHXLCT-UHFFFAOYSA-N 0 3 350.260 3.403 20 30 FGEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568921569 505808103 /nfs/dbraw/zinc/80/81/03/505808103.db2.gz IJABJYUNBHBABQ-CQSZACIVSA-N 0 3 367.415 3.262 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(Cc1ccccc1)CC(C)(C)O ZINC000180232815 495918167 /nfs/dbraw/zinc/91/81/67/495918167.db2.gz QWUMHRGZBSPSJJ-UHFFFAOYSA-N 0 3 354.450 3.219 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000180244093 495922162 /nfs/dbraw/zinc/92/21/62/495922162.db2.gz SFEAJQQEDBPVLA-UHFFFAOYSA-N 0 3 363.461 3.112 20 30 FGEDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000180271838 495931607 /nfs/dbraw/zinc/93/16/07/495931607.db2.gz HJPNRZYLPSLHCX-UZLBHIALSA-N 0 3 360.465 3.238 20 30 FGEDHN C[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N1CCCCCC1 ZINC000174432471 495958141 /nfs/dbraw/zinc/95/81/41/495958141.db2.gz CSZNCJCQLKVLIH-CZUORRHYSA-N 0 3 364.287 3.394 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)Nc3ccc(CC#N)cc3)CC2)c1 ZINC000174440719 495960290 /nfs/dbraw/zinc/96/02/90/495960290.db2.gz OYBHXLGIOGEUMM-UHFFFAOYSA-N 0 3 362.477 3.212 20 30 FGEDHN Cc1c(NC2CCN(Cc3ccc(C#N)cc3)CC2)cnn1[C@H]1CCOC1 ZINC000580694975 505815639 /nfs/dbraw/zinc/81/56/39/505815639.db2.gz BVCBKQWVQAWBQM-FQEVSTJZSA-N 0 3 365.481 3.101 20 30 FGEDHN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)CC1(C#N)CC1)C1CCCCC1 ZINC000180397904 495979985 /nfs/dbraw/zinc/97/99/85/495979985.db2.gz CBRVFJKTCBIAPR-UHFFFAOYSA-N 0 3 361.511 3.497 20 30 FGEDHN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)CC1(C#N)CC1)C1CCCCC1 ZINC000180397904 495979990 /nfs/dbraw/zinc/97/99/90/495979990.db2.gz CBRVFJKTCBIAPR-UHFFFAOYSA-N 0 3 361.511 3.497 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000171707032 495998094 /nfs/dbraw/zinc/99/80/94/495998094.db2.gz OJKOBJBVLUQTHK-UHFFFAOYSA-N 0 3 365.399 3.007 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 ZINC000171716595 496003964 /nfs/dbraw/zinc/00/39/64/496003964.db2.gz DWSRKIJPZGBKAP-UHFFFAOYSA-N 0 3 368.481 3.414 20 30 FGEDHN C=CCN1CCC(NC(=O)COc2ccc(Cl)c3cccnc23)CC1 ZINC000171718031 496004778 /nfs/dbraw/zinc/00/47/78/496004778.db2.gz XNMKIKGYTMCZBH-UHFFFAOYSA-N 0 3 359.857 3.034 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)CC1 ZINC000171737162 496013304 /nfs/dbraw/zinc/01/33/04/496013304.db2.gz KZRHPESYSQTUEE-SFHVURJKSA-N 0 3 373.497 3.325 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000171737678 496015335 /nfs/dbraw/zinc/01/53/35/496015335.db2.gz YHHOZIARQULOJG-GOSISDBHSA-N 0 3 363.889 3.073 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1 ZINC000171740219 496016386 /nfs/dbraw/zinc/01/63/86/496016386.db2.gz WJLQSJGYBIUVQC-UHFFFAOYSA-N 0 3 370.497 3.003 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1cccc(C#N)c1 ZINC000160859957 496055311 /nfs/dbraw/zinc/05/53/11/496055311.db2.gz LZSFFUGPQBZFCM-JKSUJKDBSA-N 0 3 359.433 3.422 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1-n1cccn1 ZINC000160865007 496056192 /nfs/dbraw/zinc/05/61/92/496056192.db2.gz LGWYZDYYDHEQDH-SJORKVTESA-N 0 3 365.481 3.254 20 30 FGEDHN CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC ZINC000571816905 505820669 /nfs/dbraw/zinc/82/06/69/505820669.db2.gz BAHCIRCZPPGZHN-KRWDZBQOSA-N 0 3 366.513 3.395 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000161090532 496101061 /nfs/dbraw/zinc/10/10/61/496101061.db2.gz LGTQHDRYMDGRPN-UHFFFAOYSA-N 0 3 367.906 3.380 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000180722825 496118987 /nfs/dbraw/zinc/11/89/87/496118987.db2.gz HGVCGGLGDDQSLS-INIZCTEOSA-N 0 3 360.498 3.039 20 30 FGEDHN C[C@@H]1C[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)CCN1C ZINC000174873710 496143807 /nfs/dbraw/zinc/14/38/07/496143807.db2.gz JNFZZXVNJLJKMM-IAGOWNOFSA-N 0 3 352.482 3.152 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000186807711 496161017 /nfs/dbraw/zinc/16/10/17/496161017.db2.gz WQGNDTCHZNOTHZ-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CCOC(=O)N1CCC(NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000152491020 496167478 /nfs/dbraw/zinc/16/74/78/496167478.db2.gz PVAOLVCTCKFFEB-UHFFFAOYSA-N 0 3 354.372 3.267 20 30 FGEDHN Cc1cc2cc([C@H](C)NCCNC(=O)C3N=CC=CC3=O)oc2cc1C ZINC000180877659 496182211 /nfs/dbraw/zinc/18/22/11/496182211.db2.gz OISPRMGNDWFCOQ-SXZOAGKDSA-N 0 3 353.422 3.227 20 30 FGEDHN Cc1nc(-c2cc3c(s2)CCN(CCC(=O)N(C)CCC#N)C3)cs1 ZINC000180882614 496184714 /nfs/dbraw/zinc/18/47/14/496184714.db2.gz BADKTJVAMGVNMD-UHFFFAOYSA-N 0 3 374.535 3.300 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000172204923 496208835 /nfs/dbraw/zinc/20/88/35/496208835.db2.gz BQTOJEBILYNBOS-IBGZPJMESA-N 0 3 366.440 3.161 20 30 FGEDHN CN(C(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1cccc(C#N)c1 ZINC000161621963 496209468 /nfs/dbraw/zinc/20/94/68/496209468.db2.gz OXWSCSLAAINBEY-UHFFFAOYSA-N 0 3 363.461 3.039 20 30 FGEDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C[C@@H]21 ZINC000580756696 505830273 /nfs/dbraw/zinc/83/02/73/505830273.db2.gz UTRLYCRKNLTTKV-BEFAXECRSA-N 0 3 365.408 3.266 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1OC ZINC000172418254 496289380 /nfs/dbraw/zinc/28/93/80/496289380.db2.gz ACSXHHZUYUIRJY-UHFFFAOYSA-N 0 3 358.482 3.351 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000580780622 505837145 /nfs/dbraw/zinc/83/71/45/505837145.db2.gz FOPJFMAUWJETNT-VGSWGCGISA-N 0 3 363.461 3.106 20 30 FGEDHN C=CCOCCCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000153027959 496331314 /nfs/dbraw/zinc/33/13/14/496331314.db2.gz KODKSJVENDTULW-LJQANCHMSA-N 0 3 368.481 3.251 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(C2CC2)CC1 ZINC000172539962 496333453 /nfs/dbraw/zinc/33/34/53/496333453.db2.gz ATKIISGFJSSREQ-INIZCTEOSA-N 0 3 372.538 3.189 20 30 FGEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000569054058 505839247 /nfs/dbraw/zinc/83/92/47/505839247.db2.gz DTFKBRZOCUNPST-QGZVFWFLSA-N 0 3 357.479 3.298 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000162593634 496379688 /nfs/dbraw/zinc/37/96/88/496379688.db2.gz ZYNSKIRFGPGBKG-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000162650380 496389670 /nfs/dbraw/zinc/38/96/70/496389670.db2.gz PGPJGZUUNQBTQR-UHFFFAOYSA-N 0 3 354.494 3.313 20 30 FGEDHN C[C@@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000181449280 496400580 /nfs/dbraw/zinc/40/05/80/496400580.db2.gz IJTXUADAIYMYIU-QGZVFWFLSA-N 0 3 352.457 3.170 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181463075 496406529 /nfs/dbraw/zinc/40/65/29/496406529.db2.gz OSXFMFQUOPFPRQ-GFCCVEGCSA-N 0 3 361.327 3.212 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000153335574 496424360 /nfs/dbraw/zinc/42/43/60/496424360.db2.gz QEAZAKDOJFKJSD-UHFFFAOYSA-N 0 3 352.862 3.128 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cccc4c3OCC[C@@H]4O)CC2)cc1 ZINC000184574219 496446030 /nfs/dbraw/zinc/44/60/30/496446030.db2.gz LMQYCARFUBSNMJ-NRFANRHFSA-N 0 3 363.461 3.451 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC000163042302 496456339 /nfs/dbraw/zinc/45/63/39/496456339.db2.gz NKSASKLTEMREQE-SFHVURJKSA-N 0 3 361.486 3.313 20 30 FGEDHN C[C@H]1CCN(C(=O)CNc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000163631856 496540627 /nfs/dbraw/zinc/54/06/27/496540627.db2.gz PPYIYLREOAVTBQ-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000181788326 496545119 /nfs/dbraw/zinc/54/51/19/496545119.db2.gz MJJZZRDGPQRPLQ-PXAZEXFGSA-N 0 3 358.825 3.367 20 30 FGEDHN C[C@@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000181899860 496591595 /nfs/dbraw/zinc/59/15/95/496591595.db2.gz DHFBYBCDLRFUFU-APWZRJJASA-N 0 3 355.482 3.421 20 30 FGEDHN CC(=O)Nc1cccc(OCCN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181923678 496601161 /nfs/dbraw/zinc/60/11/61/496601161.db2.gz IUHLSSQDOLNEDM-HNNXBMFYSA-N 0 3 353.422 3.277 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(CCO)[C@H]1CCCc2ccccc21 ZINC000158125274 496632792 /nfs/dbraw/zinc/63/27/92/496632792.db2.gz AOIGDBMWHMDNBF-FQEVSTJZSA-N 0 3 366.461 3.318 20 30 FGEDHN CC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCO1 ZINC000182320660 496729695 /nfs/dbraw/zinc/72/96/95/496729695.db2.gz WFFCZSYKCPWPPP-YQQAZPJKSA-N 0 3 361.511 3.424 20 30 FGEDHN CC[C@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246957107 496735329 /nfs/dbraw/zinc/73/53/29/496735329.db2.gz IKBVVZGRAIDXRA-JKSUJKDBSA-N 0 3 372.513 3.086 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(Cl)c2OCC)CC1 ZINC000191367279 496739959 /nfs/dbraw/zinc/73/99/59/496739959.db2.gz DFHBLNLAUXUFHZ-UHFFFAOYSA-N 0 3 350.890 3.438 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2OCC2CC2)CC1 ZINC000188415407 496782728 /nfs/dbraw/zinc/78/27/28/496782728.db2.gz LANPHBWQUULZIT-UHFFFAOYSA-N 0 3 358.482 3.254 20 30 FGEDHN C=CC[C@H](CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000273475880 496816049 /nfs/dbraw/zinc/81/60/49/496816049.db2.gz KGAFMJJCWBCMFS-QGZVFWFLSA-N 0 3 372.421 3.209 20 30 FGEDHN Cc1cccc(OCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000195142632 496833800 /nfs/dbraw/zinc/83/38/00/496833800.db2.gz AFGMNDMXBHLOQV-UHFFFAOYSA-N 0 3 365.477 3.226 20 30 FGEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191692892 496856496 /nfs/dbraw/zinc/85/64/96/496856496.db2.gz KPBUTVSMTMBVDI-UHFFFAOYSA-N 0 3 357.376 3.172 20 30 FGEDHN CN(C(=O)NCC#Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000265030449 497034032 /nfs/dbraw/zinc/03/40/32/497034032.db2.gz QDSULIHDFHVHPR-UHFFFAOYSA-N 0 3 361.489 3.344 20 30 FGEDHN CC[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(C#N)cc1 ZINC000278218471 497040904 /nfs/dbraw/zinc/04/09/04/497040904.db2.gz IRMUWVSITCDOBN-HXUWFJFHSA-N 0 3 351.450 3.266 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000270058735 497049167 /nfs/dbraw/zinc/04/91/67/497049167.db2.gz WLINKTKPLXTWOI-IJXRJRJASA-N 0 3 367.493 3.177 20 30 FGEDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000270333311 497103584 /nfs/dbraw/zinc/10/35/84/497103584.db2.gz CFXUCMFVSHSPMR-ROUUACIJSA-N 0 3 369.509 3.104 20 30 FGEDHN N#CCc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 ZINC000270340593 497105727 /nfs/dbraw/zinc/10/57/27/497105727.db2.gz KYOGTBMBXGEWKP-UHFFFAOYSA-N 0 3 359.473 3.416 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000189438939 497118223 /nfs/dbraw/zinc/11/82/23/497118223.db2.gz GXWOOJKOZUZVHP-CQSZACIVSA-N 0 3 373.451 3.070 20 30 FGEDHN COc1ccc([C@H](NC[C@@H](O)COc2ccc(C#N)cc2)C2CC2)cc1 ZINC000192476101 497126839 /nfs/dbraw/zinc/12/68/39/497126839.db2.gz UNWMHILPYHPTID-WIYYLYMNSA-N 0 3 352.434 3.047 20 30 FGEDHN CN1CC[C@H](NC(=O)Nc2cccc(OCC#N)c2)[C@H]1c1ccccc1 ZINC000270491782 497139322 /nfs/dbraw/zinc/13/93/22/497139322.db2.gz JLGAUPCGZYLXRK-RBUKOAKNSA-N 0 3 350.422 3.156 20 30 FGEDHN C[C@H](O)CN(C1CCCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192574050 497153394 /nfs/dbraw/zinc/15/33/94/497153394.db2.gz SJDJUWMDXUWQTC-OXJNMPFZSA-N 0 3 355.482 3.069 20 30 FGEDHN CC(C)(O)c1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000274817174 497173061 /nfs/dbraw/zinc/17/30/61/497173061.db2.gz RUIZBZGZCKQKFO-FQEVSTJZSA-N 0 3 363.461 3.071 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCCN(C)CC2)c1C#N ZINC000265745878 497174170 /nfs/dbraw/zinc/17/41/70/497174170.db2.gz VYOSESXTVDZWSD-UHFFFAOYSA-N 0 3 371.529 3.058 20 30 FGEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000278685693 497189713 /nfs/dbraw/zinc/18/97/13/497189713.db2.gz HDPPXNLRVNTFOE-HNNXBMFYSA-N 0 3 367.522 3.165 20 30 FGEDHN COCc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278704017 497195582 /nfs/dbraw/zinc/19/55/82/497195582.db2.gz REDWMEINYXCKAU-UHFFFAOYSA-N 0 3 361.449 3.295 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000189711610 497219671 /nfs/dbraw/zinc/21/96/71/497219671.db2.gz REXVHAFVRPBQFZ-NRFANRHFSA-N 0 3 359.514 3.375 20 30 FGEDHN CC(C)N1CCN(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000270909435 497224582 /nfs/dbraw/zinc/22/45/82/497224582.db2.gz NRWZHJXEJJMPIZ-UHFFFAOYSA-N 0 3 359.945 3.182 20 30 FGEDHN CNC(=O)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193041226 497284060 /nfs/dbraw/zinc/28/40/60/497284060.db2.gz WKXCDQMEGUHYOQ-UHFFFAOYSA-N 0 3 361.489 3.344 20 30 FGEDHN C=CC[C@@H](C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000275342761 497296069 /nfs/dbraw/zinc/29/60/69/497296069.db2.gz PBQJYOVSKYYNKB-JOCHJYFZSA-N 0 3 369.553 3.363 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)COc2ccc(C#N)cc2)N(C)C)cc1 ZINC000578259019 505899223 /nfs/dbraw/zinc/89/92/23/505899223.db2.gz MUYGOBHURLZPEQ-LJQANCHMSA-N 0 3 369.490 3.078 20 30 FGEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000271481679 497359573 /nfs/dbraw/zinc/35/95/73/497359573.db2.gz NOPUEVZHHZBZQJ-INIZCTEOSA-N 0 3 372.490 3.311 20 30 FGEDHN COc1ccc(CC[C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279216555 497370622 /nfs/dbraw/zinc/37/06/22/497370622.db2.gz CIYGRVQIKMSAKK-UZLBHIALSA-N 0 3 361.445 3.387 20 30 FGEDHN COc1ccc(CC[C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279216553 497370983 /nfs/dbraw/zinc/37/09/83/497370983.db2.gz CIYGRVQIKMSAKK-OXQOHEQNSA-N 0 3 361.445 3.387 20 30 FGEDHN C#CCOc1ccccc1CN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000271541889 497377661 /nfs/dbraw/zinc/37/76/61/497377661.db2.gz YQOSBDOZXJLFBM-CQSZACIVSA-N 0 3 357.841 3.254 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000279370211 497419453 /nfs/dbraw/zinc/41/94/53/497419453.db2.gz RRRYYOCYRXQNJO-LIRRHRJNSA-N 0 3 372.428 3.003 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccccc2F)CC1 ZINC000271802266 497455365 /nfs/dbraw/zinc/45/53/65/497455365.db2.gz KXSYSMUULPGWGJ-KXBFYZLASA-N 0 3 363.477 3.241 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000575040339 505909791 /nfs/dbraw/zinc/90/97/91/505909791.db2.gz UYLFWHOFVAMTDZ-INIZCTEOSA-N 0 3 352.331 3.409 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272105138 497536898 /nfs/dbraw/zinc/53/68/98/497536898.db2.gz PJZMXCYJXCKKNL-UHFFFAOYSA-N 0 3 368.485 3.221 20 30 FGEDHN C[C@@H](CCc1ccccc1F)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190615386 497546829 /nfs/dbraw/zinc/54/68/29/497546829.db2.gz OTOJQXNGNOOTCA-KKSFZXQISA-N 0 3 365.452 3.409 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000276520521 497590898 /nfs/dbraw/zinc/59/08/98/497590898.db2.gz VGUUURMDPXOTSA-INIZCTEOSA-N 0 3 369.509 3.244 20 30 FGEDHN Cn1cc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1C#N ZINC000190910056 497641757 /nfs/dbraw/zinc/64/17/57/497641757.db2.gz PVAXRCWCYQKKGT-UHFFFAOYSA-N 0 3 368.444 3.434 20 30 FGEDHN COc1ccccc1[C@@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246160911 497642148 /nfs/dbraw/zinc/64/21/48/497642148.db2.gz ADZVEXKPNDMKER-XLIONFOSSA-N 0 3 352.434 3.144 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000280108244 497651666 /nfs/dbraw/zinc/65/16/66/497651666.db2.gz TURZNFBLDXUXCE-RBUKOAKNSA-N 0 3 351.450 3.239 20 30 FGEDHN CC1(C#N)CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000272552969 497660096 /nfs/dbraw/zinc/66/00/96/497660096.db2.gz MOLGKTATGJRSAU-MRXNPFEDSA-N 0 3 360.527 3.295 20 30 FGEDHN Cn1cc(CN[C@@H]2CCN(c3ccccc3Br)C2)cc1C#N ZINC000191007463 497681835 /nfs/dbraw/zinc/68/18/35/497681835.db2.gz QOAQFSCCEALZJF-CQSZACIVSA-N 0 3 359.271 3.028 20 30 FGEDHN N#Cc1ccc(CN(C[C@@H](O)COCc2ccccc2F)C2CC2)cc1 ZINC000194539976 497699036 /nfs/dbraw/zinc/69/90/36/497699036.db2.gz VQRQSNBHPUHFDU-HXUWFJFHSA-N 0 3 354.425 3.239 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000191089840 497705598 /nfs/dbraw/zinc/70/55/98/497705598.db2.gz BWXXEEBWLWGEBF-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000578368851 505924391 /nfs/dbraw/zinc/92/43/91/505924391.db2.gz IIRRPWHGEQZNCO-GASCZTMLSA-N 0 3 374.554 3.242 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000280453665 497758998 /nfs/dbraw/zinc/75/89/98/497758998.db2.gz NWLFFEDCLLTEKS-WOJBJXKFSA-N 0 3 358.445 3.026 20 30 FGEDHN CO[C@]1(C)CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000280598499 497821668 /nfs/dbraw/zinc/82/16/68/497821668.db2.gz UXRLWJVKULAFPX-OXQOHEQNSA-N 0 3 361.461 3.352 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCN1Cc1ccccc1 ZINC000329542504 497824990 /nfs/dbraw/zinc/82/49/90/497824990.db2.gz NSPBOAPSORTPPX-JUSBFGHESA-N 0 3 369.509 3.111 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN(Cc1cccnc1)C1CC1)CCC2 ZINC000299525059 497834984 /nfs/dbraw/zinc/83/49/84/497834984.db2.gz DDCKTYOCSOYLNK-UHFFFAOYSA-N 0 3 366.490 3.497 20 30 FGEDHN C[C@@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1C ZINC000329601137 497842095 /nfs/dbraw/zinc/84/20/95/497842095.db2.gz KMAMSVQSTZVHBV-KGLIPLIRSA-N 0 3 361.442 3.470 20 30 FGEDHN Cc1nc([C@@H]2CCCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)C2)sc1C ZINC000329608251 497843237 /nfs/dbraw/zinc/84/32/37/497843237.db2.gz IPUHNVIYGQMPFU-KGLIPLIRSA-N 0 3 359.499 3.134 20 30 FGEDHN Cc1nc([C@@H]2CCCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)C2)sc1C ZINC000329608251 497843242 /nfs/dbraw/zinc/84/32/42/497843242.db2.gz IPUHNVIYGQMPFU-KGLIPLIRSA-N 0 3 359.499 3.134 20 30 FGEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1(C2CC2)CCOCC1 ZINC000329620838 497848435 /nfs/dbraw/zinc/84/84/35/497848435.db2.gz MUQGJYNBKHGPKO-UHFFFAOYSA-N 0 3 358.482 3.438 20 30 FGEDHN CCN1CCC[C@H](NC(=O)[C@H]2CCCN(c3ncnc4sccc43)C2)C1 ZINC000329631947 497851409 /nfs/dbraw/zinc/85/14/09/497851409.db2.gz RPJWXSMELBPWHU-GJZGRUSLSA-N 0 3 373.526 3.349 20 30 FGEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1ccc(N(C)CCC#N)cc1 ZINC000284668734 497860744 /nfs/dbraw/zinc/86/07/44/497860744.db2.gz HMOWMNJRTJBFMP-FPOVZHCZSA-N 0 3 367.497 3.434 20 30 FGEDHN CN1CCN(C[C@@H]2CCCN(c3cc(C#N)ccc3C(F)(F)F)C2)CC1 ZINC000364294133 497883400 /nfs/dbraw/zinc/88/34/00/497883400.db2.gz SEULHANFDCDKCT-INIZCTEOSA-N 0 3 366.431 3.041 20 30 FGEDHN Cc1noc(Cl)c1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000299694113 497898375 /nfs/dbraw/zinc/89/83/75/497898375.db2.gz ODVJNEPQJKLJEJ-UHFFFAOYSA-N 0 3 374.872 3.031 20 30 FGEDHN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000329804066 497906578 /nfs/dbraw/zinc/90/65/78/497906578.db2.gz LUFDBXJNCKAOQX-KURKYZTESA-N 0 3 358.486 3.249 20 30 FGEDHN CC(C)(C)c1cn2c(n1)CC[C@@H](NC([O-])=[NH+]C[C@@]1(C)CCCS1)C2 ZINC000329816158 497912376 /nfs/dbraw/zinc/91/23/76/497912376.db2.gz DUMOACUXLRRTOV-FZKQIMNGSA-N 0 3 350.532 3.285 20 30 FGEDHN CC1CCN([C@H](CNC(=O)c2cc3n(n2)CCCO3)c2ccccc2)CC1 ZINC000329879978 497937032 /nfs/dbraw/zinc/93/70/32/497937032.db2.gz MZHZIGXMNBVOQW-LJQANCHMSA-N 0 3 368.481 3.443 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000329900088 497944794 /nfs/dbraw/zinc/94/47/94/497944794.db2.gz NKOCAPWQOXHTLU-UXLLHSPISA-N 0 3 358.461 3.495 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000329899945 497945441 /nfs/dbraw/zinc/94/54/41/497945441.db2.gz NKOCAPWQOXHTLU-HLLBOEOZSA-N 0 3 358.461 3.495 20 30 FGEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000329902344 497946322 /nfs/dbraw/zinc/94/63/22/497946322.db2.gz PICPSSSMXPLOCH-RYUDHWBXSA-N 0 3 358.421 3.140 20 30 FGEDHN CC[C@H](C)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000296229108 497963453 /nfs/dbraw/zinc/96/34/53/497963453.db2.gz WMXLNAOWPWBVEH-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329964307 497971911 /nfs/dbraw/zinc/97/19/11/497971911.db2.gz SZUBSHBCBKGJRK-WOJBJXKFSA-N 0 3 369.509 3.194 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN[C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000285024702 497972180 /nfs/dbraw/zinc/97/21/80/497972180.db2.gz ZURFPMYCCAOFHB-ROUUACIJSA-N 0 3 372.266 3.490 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364534282 498006642 /nfs/dbraw/zinc/00/66/42/498006642.db2.gz XFNOWOFLPYEXQU-ICSRJNTNSA-N 0 3 363.465 3.418 20 30 FGEDHN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000330115044 498027688 /nfs/dbraw/zinc/02/76/88/498027688.db2.gz FJOZLMAMAFEGTM-PXNSSMCTSA-N 0 3 368.481 3.309 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 ZINC000292487551 498033321 /nfs/dbraw/zinc/03/33/21/498033321.db2.gz SRQAQRRLBXYLRM-BFUOFWGJSA-N 0 3 355.463 3.240 20 30 FGEDHN O=C(NC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCCN1C1CCOCC1 ZINC000330145295 498039504 /nfs/dbraw/zinc/03/95/04/498039504.db2.gz LALBQBSEFGOZLK-ROUUACIJSA-N 0 3 350.503 3.468 20 30 FGEDHN CC(C)[C@H](CNc1c(C#N)cnc2ccc(Cl)cc21)N1CCN(C)CC1 ZINC000301334444 498061992 /nfs/dbraw/zinc/06/19/92/498061992.db2.gz CLTVGBALVPAMBS-IBGZPJMESA-N 0 3 371.916 3.444 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000364657508 498071720 /nfs/dbraw/zinc/07/17/20/498071720.db2.gz BVYFCNDLBNJDER-XGTLJDLRSA-N 0 3 360.461 3.118 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCN(C(C)C)CC2)cc1 ZINC000292610441 498079248 /nfs/dbraw/zinc/07/92/48/498079248.db2.gz WYKNQXXYOSLTAH-LJQANCHMSA-N 0 3 356.514 3.046 20 30 FGEDHN Cn1c2ccc(NC(=O)[C@@H]3CCCCN3C3CCCC3)cc2n(C)c1=O ZINC000330294424 498096095 /nfs/dbraw/zinc/09/60/95/498096095.db2.gz INQAJWYLWVSACF-KRWDZBQOSA-N 0 3 356.470 3.262 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000364719321 498111279 /nfs/dbraw/zinc/11/12/79/498111279.db2.gz AIYZVKYPULXIAA-MRXNPFEDSA-N 0 3 373.460 3.019 20 30 FGEDHN C[C@@H](CN(C)CC#CCN(C)C[C@H](C)c1nccs1)c1nccs1 ZINC000569632798 505980341 /nfs/dbraw/zinc/98/03/41/505980341.db2.gz MOVALISUIDEOPZ-HOTGVXAUSA-N 0 3 362.568 3.374 20 30 FGEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(Br)cc1F ZINC000285576299 498134726 /nfs/dbraw/zinc/13/47/26/498134726.db2.gz IFQNANLJUZAITH-NSHDSACASA-N 0 3 356.239 3.001 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000285656300 498161022 /nfs/dbraw/zinc/16/10/22/498161022.db2.gz XLPCSPVJPGNIQW-HIUFNZKISA-N 0 3 365.477 3.173 20 30 FGEDHN CC(C)[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000301629291 498196676 /nfs/dbraw/zinc/19/66/76/498196676.db2.gz IIQBTNWEHBPRKR-SFHVURJKSA-N 0 3 365.437 3.356 20 30 FGEDHN COc1ccc(C[C@@](C)(O)CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000289574183 498199885 /nfs/dbraw/zinc/19/98/85/498199885.db2.gz AAOAKTZWRLRJBC-LHSJRXKWSA-N 0 3 372.440 3.359 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ccc(Cl)c(C#N)n1 ZINC000301642624 498201627 /nfs/dbraw/zinc/20/16/27/498201627.db2.gz MQRXWSUXEQDAGG-UHFFFAOYSA-N 0 3 350.800 3.453 20 30 FGEDHN N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000572573268 506000598 /nfs/dbraw/zinc/00/05/98/506000598.db2.gz SORKBVZORBECAI-LJQANCHMSA-N 0 3 366.509 3.262 20 30 FGEDHN N#CC1CCC(CNCc2ncc(I)s2)CC1 ZINC000286001936 498265403 /nfs/dbraw/zinc/26/54/03/498265403.db2.gz OXOABOZDAPVYNL-UHFFFAOYSA-N 0 3 361.252 3.167 20 30 FGEDHN CCOC1CC(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)C1 ZINC000286088454 498288805 /nfs/dbraw/zinc/28/88/05/498288805.db2.gz UBNKUISRPYEACV-UHFFFAOYSA-N 0 3 350.466 3.044 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCOCc2ccccc2)CC1 ZINC000281903354 498311783 /nfs/dbraw/zinc/31/17/83/498311783.db2.gz PKIQNQKACJYDJD-UHFFFAOYSA-N 0 3 359.514 3.275 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000281961077 498334489 /nfs/dbraw/zinc/33/44/89/498334489.db2.gz GDNPBJRQYPGCPH-SJORKVTESA-N 0 3 373.250 3.468 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000365181410 498339191 /nfs/dbraw/zinc/33/91/91/498339191.db2.gz STXOBFLCRRJMLE-DBVUQKKJSA-N 0 3 355.482 3.096 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000365186978 498340352 /nfs/dbraw/zinc/34/03/52/498340352.db2.gz LFJQUGGVWPYFKX-INIZCTEOSA-N 0 3 368.481 3.367 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2Cc2ccc(OC)cc2)CC1 ZINC000365187538 498342230 /nfs/dbraw/zinc/34/22/30/498342230.db2.gz MQGJULZCSHINFD-IBGZPJMESA-N 0 3 357.498 3.062 20 30 FGEDHN CN1CCN([C@@H](CN[C@H]2CCc3ccc(C#N)cc32)c2cccs2)CC1 ZINC000572652608 506021117 /nfs/dbraw/zinc/02/11/17/506021117.db2.gz HPSDEWSLJVDMMV-PMACEKPBSA-N 0 3 366.534 3.185 20 30 FGEDHN N#CCCOCCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000293384111 498366222 /nfs/dbraw/zinc/36/62/22/498366222.db2.gz GKKGWFZKZGJZKU-UHFFFAOYSA-N 0 3 355.404 3.143 20 30 FGEDHN N#Cc1cc2c(nc1NCc1ccccc1CN1CC[C@@H](O)C1)CCCC2 ZINC000302047849 498384377 /nfs/dbraw/zinc/38/43/77/498384377.db2.gz LUCNYKYAXWJWPQ-HXUWFJFHSA-N 0 3 362.477 3.011 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000361449369 498393252 /nfs/dbraw/zinc/39/32/52/498393252.db2.gz HAAKTXFRHPVSHG-WOJBJXKFSA-N 0 3 352.482 3.118 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCn1c(C)cc(=O)cc1C)C(C)C ZINC000290034823 498402092 /nfs/dbraw/zinc/40/20/92/498402092.db2.gz CDCALADULLSYQY-NRFANRHFSA-N 0 3 373.541 3.060 20 30 FGEDHN COc1cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1C#N ZINC000282150574 498402111 /nfs/dbraw/zinc/40/21/11/498402111.db2.gz CQJBIRCULGNBIQ-SFHVURJKSA-N 0 3 365.481 3.264 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2c3ccccc3CC23CCOCC3)CCCCC1 ZINC000290104364 498429919 /nfs/dbraw/zinc/42/99/19/498429919.db2.gz IYXFCRAPQLZUJO-FQEVSTJZSA-N 0 3 367.493 3.013 20 30 FGEDHN N#C[C@@]1(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCc2ccccc2C1 ZINC000575933644 506035880 /nfs/dbraw/zinc/03/58/80/506035880.db2.gz RIRIJZGQESLFNK-FYYLOGMGSA-N 0 3 359.473 3.076 20 30 FGEDHN C[S@@](=O)C1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000282424351 498506736 /nfs/dbraw/zinc/50/67/36/498506736.db2.gz QYTPWVYKWWCMCX-RUZDIDTESA-N 0 3 354.475 3.138 20 30 FGEDHN CC(C)[C@]1(CO)CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000293865150 498516717 /nfs/dbraw/zinc/51/67/17/498516717.db2.gz CHKDBWYQNYLVTP-OAQYLSRUSA-N 0 3 367.497 3.089 20 30 FGEDHN CC(C)OCCN1CCC(Nc2ncc(Br)cc2C#N)CC1 ZINC000297631282 498518272 /nfs/dbraw/zinc/51/82/72/498518272.db2.gz WZWDHKAHQWFYMF-UHFFFAOYSA-N 0 3 367.291 3.017 20 30 FGEDHN Cc1nc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)ccc1C#N ZINC000365537071 498520017 /nfs/dbraw/zinc/52/00/17/498520017.db2.gz OOPPZZORQVZOSK-QAPCUYQASA-N 0 3 354.479 3.136 20 30 FGEDHN C[C@@H]1CN2CCCC[C@@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063115 498548310 /nfs/dbraw/zinc/54/83/10/498548310.db2.gz ZEYPQFDCXPZMME-RHSMWYFYSA-N 0 3 360.889 3.099 20 30 FGEDHN N#Cc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000302770063 498566016 /nfs/dbraw/zinc/56/60/16/498566016.db2.gz BSLWZABMPHHVIJ-GOSISDBHSA-N 0 3 366.421 3.169 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOc3c(OC)cc(C)cc32)CC1 ZINC000362878083 498570770 /nfs/dbraw/zinc/57/07/70/498570770.db2.gz QOBSTCORNHTYTK-GOSISDBHSA-N 0 3 373.497 3.167 20 30 FGEDHN C=CCN(Cc1nc([C@H](C)OCC)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000362937068 498584500 /nfs/dbraw/zinc/58/45/00/498584500.db2.gz YXGNYVLSHQMTSQ-HKUYNNGSSA-N 0 3 370.497 3.430 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000365674437 498592433 /nfs/dbraw/zinc/59/24/33/498592433.db2.gz SCNPIVFWOOYTOQ-UXHICEINSA-N 0 3 352.482 3.095 20 30 FGEDHN C#CCOc1ccc(CNC(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000297911943 498607275 /nfs/dbraw/zinc/60/72/75/498607275.db2.gz UDTKBGRFVCLRPZ-UHFFFAOYSA-N 0 3 351.450 3.124 20 30 FGEDHN COc1ccc([C@@H](CCC#N)NC[C@H]2CCCN2c2cccnn2)cc1 ZINC000365724577 498615527 /nfs/dbraw/zinc/61/55/27/498615527.db2.gz VHUYLBSWSGUMMS-IEBWSBKVSA-N 0 3 351.454 3.089 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000290652395 498634004 /nfs/dbraw/zinc/63/40/04/498634004.db2.gz KEYGZCZCNZKUGE-HXUWFJFHSA-N 0 3 372.490 3.066 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298217933 498698665 /nfs/dbraw/zinc/69/86/65/498698665.db2.gz VKNRXJWGUFNPJV-HOCLYGCPSA-N 0 3 364.440 3.120 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cnc(-c4ccco4)s3)CC2)nc1 ZINC000365948396 498708217 /nfs/dbraw/zinc/70/82/17/498708217.db2.gz WLIOZKRKNKEGQG-UHFFFAOYSA-N 0 3 365.462 3.428 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3c(F)cccc3F)n2)CC1 ZINC000332645285 498751512 /nfs/dbraw/zinc/75/15/12/498751512.db2.gz IOXGXZYBNPGWPP-UHFFFAOYSA-N 0 3 374.435 3.229 20 30 FGEDHN C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1=CCN(C)CC1 ZINC000283048589 498760027 /nfs/dbraw/zinc/76/00/27/498760027.db2.gz QTKHAVCDCAUDED-LLVKDONJSA-N 0 3 368.359 3.229 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc(OC)c1O ZINC000294666812 498767113 /nfs/dbraw/zinc/76/71/13/498767113.db2.gz AORFYYXKZQIIMP-OAHLLOKOSA-N 0 3 360.498 3.243 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000287503039 498778943 /nfs/dbraw/zinc/77/89/43/498778943.db2.gz UFJGDHPXKZBMFZ-GOSISDBHSA-N 0 3 365.905 3.103 20 30 FGEDHN C[C@H](NCCC(=O)Nc1ccccc1C#N)[C@H]1OCCc2sccc21 ZINC000298479886 498785268 /nfs/dbraw/zinc/78/52/68/498785268.db2.gz SVKIPDWPGOHTCV-ORAYPTAESA-N 0 3 355.463 3.240 20 30 FGEDHN CCCN1CCN(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000363423697 498815672 /nfs/dbraw/zinc/81/56/72/498815672.db2.gz WVYYHZIRHXZMEB-UHFFFAOYSA-N 0 3 359.945 3.184 20 30 FGEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCCN3CCCC(C)(C)C3)CC2)o1 ZINC000328713666 498911842 /nfs/dbraw/zinc/91/18/42/498911842.db2.gz CSQWARXSZNCGBJ-UHFFFAOYSA-N 0 3 373.501 3.150 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000328752812 498926722 /nfs/dbraw/zinc/92/67/22/498926722.db2.gz SAKWMYIYFMPIKY-SPUZQDLCSA-N 0 3 365.518 3.451 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 ZINC000573075483 506112941 /nfs/dbraw/zinc/11/29/41/506112941.db2.gz POCZOCPMCIUAOQ-UAPYVXQJSA-N 0 3 357.498 3.281 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291415733 498931896 /nfs/dbraw/zinc/93/18/96/498931896.db2.gz CRZXWGYYTZXOHA-NVXWUHKLSA-N 0 3 365.389 3.007 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328830204 498952148 /nfs/dbraw/zinc/95/21/48/498952148.db2.gz RARPMEGXCMXTFM-HOJAQTOUSA-N 0 3 371.525 3.360 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccccc1O2 ZINC000328848759 498960809 /nfs/dbraw/zinc/96/08/09/498960809.db2.gz RDRVNCRYHTUFQY-HOCLYGCPSA-N 0 3 357.454 3.298 20 30 FGEDHN COc1ccc([C@@H](O)C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000291600060 499006958 /nfs/dbraw/zinc/00/69/58/499006958.db2.gz BVTLQFNNCKWLKC-FGZHOGPDSA-N 0 3 366.461 3.046 20 30 FGEDHN COCCn1ncc2c1[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000363908005 499049200 /nfs/dbraw/zinc/04/92/00/499049200.db2.gz KILWXTMEIHYICG-HNAYVOBHSA-N 0 3 354.454 3.160 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC(=O)N1 ZINC000329139629 499053552 /nfs/dbraw/zinc/05/35/52/499053552.db2.gz IYAXOENEZOEHKK-GDBMZVCRSA-N 0 3 359.470 3.371 20 30 FGEDHN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)CCCN1C ZINC000329154303 499057382 /nfs/dbraw/zinc/05/73/82/499057382.db2.gz BHXSBSCAHGRZSO-FFZOFVMBSA-N 0 3 373.545 3.167 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](C)[C@H](C)CO)c1C#N ZINC000295705006 499084447 /nfs/dbraw/zinc/08/44/47/499084447.db2.gz JQHWOXOYYFVQMX-UKRRQHHQSA-N 0 3 360.502 3.027 20 30 FGEDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000364024439 499089858 /nfs/dbraw/zinc/08/98/58/499089858.db2.gz XUGVXVCXOJWAKG-PKOBYXMFSA-N 0 3 355.388 3.184 20 30 FGEDHN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@H]3CCN(C4CC4)C3)nc2c1 ZINC000329284858 499091189 /nfs/dbraw/zinc/09/11/89/499091189.db2.gz GEQXKSUYMACVNH-KSSFIOAISA-N 0 3 353.470 3.159 20 30 FGEDHN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H]3CCN(C4CC4)C3)[nH]c2c1 ZINC000329284858 499091190 /nfs/dbraw/zinc/09/11/90/499091190.db2.gz GEQXKSUYMACVNH-KSSFIOAISA-N 0 3 353.470 3.159 20 30 FGEDHN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329288607 499091854 /nfs/dbraw/zinc/09/18/54/499091854.db2.gz MUUPIGIPRJUSDA-CQSZACIVSA-N 0 3 353.470 3.431 20 30 FGEDHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000329346240 499104483 /nfs/dbraw/zinc/10/44/83/499104483.db2.gz RGZWPPHQLVOGAK-QFBILLFUSA-N 0 3 355.482 3.093 20 30 FGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329409853 499116849 /nfs/dbraw/zinc/11/68/49/499116849.db2.gz BRIULEZTPDIVTO-BFYDXBDKSA-N 0 3 350.507 3.041 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000329461412 499124859 /nfs/dbraw/zinc/12/48/59/499124859.db2.gz SRGLEWZSFDZYJA-ZDUSSCGKSA-N 0 3 366.531 3.245 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000329492174 499127850 /nfs/dbraw/zinc/12/78/50/499127850.db2.gz TUMOFPCEXLAEMA-AWEZNQCLSA-N 0 3 352.862 3.485 20 30 FGEDHN C=CCN(C(=O)Nc1cn(C)nc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000369818680 499133467 /nfs/dbraw/zinc/13/34/67/499133467.db2.gz IRYAHBAJUFIHHJ-SFHVURJKSA-N 0 3 353.470 3.023 20 30 FGEDHN CN1CCC[C@]2(CCN(CC#Cc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000372552430 499144959 /nfs/dbraw/zinc/14/49/59/499144959.db2.gz JWNLNTKFVLPTJO-GOSISDBHSA-N 0 3 350.384 3.001 20 30 FGEDHN N#CCOc1ccccc1C(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000370038963 499169712 /nfs/dbraw/zinc/16/97/12/499169712.db2.gz ZBVSFUREYNZJGA-UHFFFAOYSA-N 0 3 361.445 3.388 20 30 FGEDHN C#CC[C@H](Cc1ccccc1)NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000367434345 499198736 /nfs/dbraw/zinc/19/87/36/499198736.db2.gz GRPCHGXQFUXVPN-JOCHJYFZSA-N 0 3 361.489 3.044 20 30 FGEDHN COc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1OCCCC#N ZINC000367698336 499226110 /nfs/dbraw/zinc/22/61/10/499226110.db2.gz FAEHBYJLYNWWHQ-QGZVFWFLSA-N 0 3 354.454 3.101 20 30 FGEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3ccccc3Cl)C2)nc1 ZINC000370731517 499248926 /nfs/dbraw/zinc/24/89/26/499248926.db2.gz XNVRNXLOFOIAKE-OAHLLOKOSA-N 0 3 370.840 3.089 20 30 FGEDHN CCCCCCCCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371228793 499300162 /nfs/dbraw/zinc/30/01/62/499300162.db2.gz YLGYGMSOGQTRSK-WOJBJXKFSA-N 0 3 366.594 3.404 20 30 FGEDHN CN1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000582136265 506142210 /nfs/dbraw/zinc/14/22/10/506142210.db2.gz GSOVEUFFRBNOQA-VQTJNVASSA-N 0 3 360.461 3.292 20 30 FGEDHN N#Cc1cccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)n1 ZINC000573204991 506143441 /nfs/dbraw/zinc/14/34/41/506143441.db2.gz URVYDJGOZWJOCU-UHFFFAOYSA-N 0 3 355.467 3.048 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000369090648 499364756 /nfs/dbraw/zinc/36/47/56/499364756.db2.gz FZHDNYCPNYATLI-FQEVSTJZSA-N 0 3 357.413 3.262 20 30 FGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000369520026 499412178 /nfs/dbraw/zinc/41/21/78/499412178.db2.gz QEWULDJYFPGMEO-JOCHJYFZSA-N 0 3 369.509 3.440 20 30 FGEDHN C#CCCN1CCC(NC(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC000369594527 499424182 /nfs/dbraw/zinc/42/41/82/499424182.db2.gz YVAFGEWEYQKICH-UHFFFAOYSA-N 0 3 369.440 3.017 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000373499907 499473388 /nfs/dbraw/zinc/47/33/88/499473388.db2.gz BHXXBTJQIXROBQ-HZEGPAAWSA-N 0 3 369.509 3.080 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCCN(C2CCOCC2)CC1)c1ccccc1 ZINC000373512009 499474199 /nfs/dbraw/zinc/47/41/99/499474199.db2.gz FRASGFVFZHASAY-NRFANRHFSA-N 0 3 356.510 3.450 20 30 FGEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1ccccc1 ZINC000373601458 499479104 /nfs/dbraw/zinc/47/91/04/499479104.db2.gz OEDXAVPOJOAMMP-BVOGOJNSSA-N 0 3 356.510 3.352 20 30 FGEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000373601460 499479156 /nfs/dbraw/zinc/47/91/56/499479156.db2.gz OEDXAVPOJOAMMP-ZIBCJSCZSA-N 0 3 356.510 3.352 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(c3ncccc3Cl)CC2)CC1 ZINC000373771236 499487225 /nfs/dbraw/zinc/48/72/25/499487225.db2.gz NTUCUDOUAIPPKY-UHFFFAOYSA-N 0 3 362.905 3.274 20 30 FGEDHN COc1ncc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000375269668 499501556 /nfs/dbraw/zinc/50/15/56/499501556.db2.gz RCPZNNHNRDMJJV-CYBMUJFWSA-N 0 3 371.872 3.330 20 30 FGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000375452081 499520826 /nfs/dbraw/zinc/52/08/26/499520826.db2.gz DBURWMVIPVPMAS-RMJJICAUSA-N 0 3 361.530 3.123 20 30 FGEDHN N#Cc1ccc(OCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000379692822 499542540 /nfs/dbraw/zinc/54/25/40/499542540.db2.gz HOPCJSRAJBFNLO-HXUWFJFHSA-N 0 3 363.461 3.108 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CNC2(C3CC3)CCOCC2)c1 ZINC000375700817 499547172 /nfs/dbraw/zinc/54/71/72/499547172.db2.gz JMICNQMQCAYVFY-UHFFFAOYSA-N 0 3 355.482 3.099 20 30 FGEDHN N#CC1(CCCN2CCCC[C@@H]2COC(=O)N2CCCC2)CCOCC1 ZINC000375765763 499553397 /nfs/dbraw/zinc/55/33/97/499553397.db2.gz XQBPZAYUPSVNPO-GOSISDBHSA-N 0 3 363.502 3.174 20 30 FGEDHN N#Cc1cccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000391048881 499556424 /nfs/dbraw/zinc/55/64/24/499556424.db2.gz GAOCJEDLOFDIPL-GOSISDBHSA-N 0 3 366.421 3.169 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000398005512 499565586 /nfs/dbraw/zinc/56/55/86/499565586.db2.gz ATWSVDDKHBZDMR-RDTXWAMCSA-N 0 3 351.410 3.184 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000375922114 499568752 /nfs/dbraw/zinc/56/87/52/499568752.db2.gz UDSIYBMYHAFHRL-VQTJNVASSA-N 0 3 351.450 3.048 20 30 FGEDHN N#Cc1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1F ZINC000404133111 499569662 /nfs/dbraw/zinc/56/96/62/499569662.db2.gz DUOZYJVGZQEFHV-FGZHOGPDSA-N 0 3 365.452 3.173 20 30 FGEDHN N#Cc1cccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1F ZINC000404179636 499570001 /nfs/dbraw/zinc/57/00/01/499570001.db2.gz IUBNHRLJGNXFKX-NHCUHLMSSA-N 0 3 365.452 3.173 20 30 FGEDHN CN1CCC[C@@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000376083242 499581737 /nfs/dbraw/zinc/58/17/37/499581737.db2.gz UCPWEEBXEZKYRB-QGZVFWFLSA-N 0 3 374.916 3.029 20 30 FGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCN(c2ccccc2)CC1 ZINC000410809439 499680413 /nfs/dbraw/zinc/68/04/13/499680413.db2.gz SIBBWFUYDUUWBN-HXUWFJFHSA-N 0 3 372.472 3.368 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2COc3cccc(Cl)c32)cc1 ZINC000377510418 499698632 /nfs/dbraw/zinc/69/86/32/499698632.db2.gz YOEUKUSFZAVFFQ-HOCLYGCPSA-N 0 3 351.793 3.144 20 30 FGEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000377743245 499727416 /nfs/dbraw/zinc/72/74/16/499727416.db2.gz PBDCCCHVHJBVGE-YUELXQCFSA-N 0 3 368.403 3.273 20 30 FGEDHN C=CCC[C@H](NCC(=O)N1CCC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC000411476664 499745526 /nfs/dbraw/zinc/74/55/26/499745526.db2.gz VEJFFTIBKMRJDC-MOPGFXCFSA-N 0 3 358.482 3.085 20 30 FGEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414168066 499765488 /nfs/dbraw/zinc/76/54/88/499765488.db2.gz QDZFQCJDIYLZNO-CQSZACIVSA-N 0 3 357.907 3.229 20 30 FGEDHN CC(C)(C)Oc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1C#N ZINC000414365737 499781613 /nfs/dbraw/zinc/78/16/13/499781613.db2.gz PFJDBYBFCYDWAS-NSHDSACASA-N 0 3 355.316 3.113 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000411738698 499784795 /nfs/dbraw/zinc/78/47/95/499784795.db2.gz MBSPNTTVSHOOBF-GOSISDBHSA-N 0 3 357.841 3.254 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCSC4(CCC4)CC3)C2=O)cc1 ZINC000411873521 499798577 /nfs/dbraw/zinc/79/85/77/499798577.db2.gz YGQKZDQWHZCVDC-GOSISDBHSA-N 0 3 355.507 3.415 20 30 FGEDHN COC1([C@@H](C)NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCC1 ZINC000412017987 499813118 /nfs/dbraw/zinc/81/31/18/499813118.db2.gz AVNVGBABKHSFRV-OAHLLOKOSA-N 0 3 363.889 3.442 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000415130752 499868018 /nfs/dbraw/zinc/86/80/18/499868018.db2.gz XNRAPHGROLVHGZ-INIZCTEOSA-N 0 3 372.375 3.168 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCCC[C@H]1O ZINC000412983905 499902325 /nfs/dbraw/zinc/90/23/25/499902325.db2.gz AWBVXJLQKNAKSM-IAGOWNOFSA-N 0 3 364.559 3.136 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCCC[C@@H]1O ZINC000412983907 499902356 /nfs/dbraw/zinc/90/23/56/499902356.db2.gz AWBVXJLQKNAKSM-SJORKVTESA-N 0 3 364.559 3.136 20 30 FGEDHN CN(C)[C@H](CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N)c1ccccc1 ZINC000416225224 499985644 /nfs/dbraw/zinc/98/56/44/499985644.db2.gz SCBGAUVQPNAPTN-SBHAEUEKSA-N 0 3 355.482 3.133 20 30 FGEDHN C[C@H]1CN(CCCNc2cc(Br)c(C#N)cc2F)CCCO1 ZINC000576480502 506168900 /nfs/dbraw/zinc/16/89/00/506168900.db2.gz XCVJOGGEJRKGTL-LBPRGKRZSA-N 0 3 370.266 3.373 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](CSC)C2)c(OC)c1 ZINC000429290804 500044091 /nfs/dbraw/zinc/04/40/91/500044091.db2.gz DZYPVYXKJVSFLX-QZTJIDSGSA-N 0 3 365.539 3.238 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000425236301 500052719 /nfs/dbraw/zinc/05/27/19/500052719.db2.gz JOQZSQKKBOPWIX-ZDUSSCGKSA-N 0 3 366.425 3.081 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)CC1 ZINC000417432726 500073204 /nfs/dbraw/zinc/07/32/04/500073204.db2.gz LYCWVAYRZBQWLX-OAHLLOKOSA-N 0 3 359.470 3.125 20 30 FGEDHN CC[C@@](C)(C(=O)OC)N(CCC(=O)Nc1sccc1C#N)CC1CC1 ZINC000425511781 500128538 /nfs/dbraw/zinc/12/85/38/500128538.db2.gz LYIXRYRBOGIXKN-SFHVURJKSA-N 0 3 363.483 3.002 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C12CCCCC2 ZINC000429790407 500145355 /nfs/dbraw/zinc/14/53/55/500145355.db2.gz TYGDAVJOSYDIQA-OKZBNKHCSA-N 0 3 361.530 3.435 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@](C)(O)C2)cc1OC ZINC000418114626 500231884 /nfs/dbraw/zinc/23/18/84/500231884.db2.gz ODOKSTGGDIUPLP-DRQUAOQDSA-N 0 3 356.260 3.026 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)NCCc2cccc(C#N)c2)cc1 ZINC000418138449 500235276 /nfs/dbraw/zinc/23/52/76/500235276.db2.gz FLWZZVZOWNUPPH-HXUWFJFHSA-N 0 3 350.466 3.223 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000573395233 506186763 /nfs/dbraw/zinc/18/67/63/506186763.db2.gz PBQRZZZCGKXIGO-TYPHKJRUSA-N 0 3 371.525 3.287 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)CN(Cc2ccccc2)C1=O)C(C)C ZINC000430898157 500303698 /nfs/dbraw/zinc/30/36/98/500303698.db2.gz AMDUNINVWQNSIU-LJQANCHMSA-N 0 3 355.482 3.149 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419650025 500387875 /nfs/dbraw/zinc/38/78/75/500387875.db2.gz TVXIVXIHMSBLOS-FOIQADDNSA-N 0 3 354.498 3.307 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000424058790 500444926 /nfs/dbraw/zinc/44/49/26/500444926.db2.gz ANIIOCOJCDPALB-RAYAYOPJSA-N 0 3 359.473 3.421 20 30 FGEDHN COc1ccc(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)cc1Cl ZINC000424062567 500445753 /nfs/dbraw/zinc/44/57/53/500445753.db2.gz GWBXQWWJWHBNIJ-LBPRGKRZSA-N 0 3 364.858 3.432 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000424067012 500446541 /nfs/dbraw/zinc/44/65/41/500446541.db2.gz VCJNGSBXJKDPKN-CQSZACIVSA-N 0 3 366.252 3.198 20 30 FGEDHN N#Cc1cnc(C(=O)N2CCCN(CC3CCCCC3)CC2)c(Cl)c1 ZINC000427936633 500447367 /nfs/dbraw/zinc/44/73/67/500447367.db2.gz DQJFPCODWLXLPE-UHFFFAOYSA-N 0 3 360.889 3.335 20 30 FGEDHN COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H](N)CCCC#N ZINC000424072171 500447801 /nfs/dbraw/zinc/44/78/01/500447801.db2.gz COIJGXDVGRDGOQ-KRWDZBQOSA-N 0 3 357.479 3.307 20 30 FGEDHN COc1cc([C@H](C)NC(=O)[C@@H](N)CCCC#N)ccc1OC1CCCC1 ZINC000424100208 500452707 /nfs/dbraw/zinc/45/27/07/500452707.db2.gz NILOKARTWSJALQ-YOEHRIQHSA-N 0 3 359.470 3.215 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000424104983 500454179 /nfs/dbraw/zinc/45/41/79/500454179.db2.gz VLFWEQWDHSFLKJ-FQEVSTJZSA-N 0 3 351.450 3.041 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000424114418 500456040 /nfs/dbraw/zinc/45/60/40/500456040.db2.gz QZOZAOMWYNUGAF-LSDHHAIUSA-N 0 3 354.479 3.375 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000424120475 500456998 /nfs/dbraw/zinc/45/69/98/500456998.db2.gz HGSPNZXEGAMTCI-LBPRGKRZSA-N 0 3 364.660 3.163 20 30 FGEDHN COc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1NC(=O)C1CCCCC1 ZINC000424125588 500457794 /nfs/dbraw/zinc/45/77/94/500457794.db2.gz ODCOBZKTCBIVPU-INIZCTEOSA-N 0 3 372.469 3.174 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000424141892 500459310 /nfs/dbraw/zinc/45/93/10/500459310.db2.gz PFUQMJGURCUIBQ-KRWDZBQOSA-N 0 3 369.396 3.109 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000424155646 500461105 /nfs/dbraw/zinc/46/11/05/500461105.db2.gz NIMIPZQHWRIFEH-INIZCTEOSA-N 0 3 358.829 3.274 20 30 FGEDHN COCCCN1CCC(Nc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428117838 500471009 /nfs/dbraw/zinc/47/10/09/500471009.db2.gz YBQSQVZGIZSFLT-UHFFFAOYSA-N 0 3 356.514 3.480 20 30 FGEDHN CC[C@@H](CNC(=O)NCc1ccc(C#N)s1)N1CCc2ccccc2C1 ZINC000420792122 500502115 /nfs/dbraw/zinc/50/21/15/500502115.db2.gz HHHARYFHBNPFBO-KRWDZBQOSA-N 0 3 368.506 3.256 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(C#N)s1)C1CC1 ZINC000420831721 500511822 /nfs/dbraw/zinc/51/18/22/500511822.db2.gz JMWMIKHWLPWART-LJQANCHMSA-N 0 3 368.506 3.330 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CSCCN2Cc2ccccc2)c(F)c1 ZINC000428558265 500527140 /nfs/dbraw/zinc/52/71/40/500527140.db2.gz LTIMGPKLFSQHDX-LJQANCHMSA-N 0 3 355.482 3.405 20 30 FGEDHN C=CCC1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCOCC1 ZINC000424628604 500531169 /nfs/dbraw/zinc/53/11/69/500531169.db2.gz PVSOGZKAHYNQOW-KRWDZBQOSA-N 0 3 362.539 3.449 20 30 FGEDHN C/C=C\C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000432914058 500589791 /nfs/dbraw/zinc/58/97/91/500589791.db2.gz CBPYVMGZCNSALW-BOYDRYHPSA-N 0 3 355.482 3.010 20 30 FGEDHN N#CC(C(=O)c1ccccc1Cn1cncn1)c1ccc(C(F)(F)F)cn1 ZINC000442630365 500606416 /nfs/dbraw/zinc/60/64/16/500606416.db2.gz XMFXXEAJRYOAQD-OAHLLOKOSA-N 0 3 371.322 3.230 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000437138180 500606668 /nfs/dbraw/zinc/60/66/68/500606668.db2.gz PVCJIKTVPKEXAD-LMOYHYAASA-N 0 3 361.445 3.206 20 30 FGEDHN CN(CCSCC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000433031199 500609996 /nfs/dbraw/zinc/60/99/96/500609996.db2.gz YITFAWUFFPVUPJ-UHFFFAOYSA-N 0 3 353.491 3.040 20 30 FGEDHN COc1cc(CN2CCc3cc(OC)c(OC)cc3CC2)ccc1C#N ZINC000442813818 500629442 /nfs/dbraw/zinc/62/94/42/500629442.db2.gz UGORWFWLGWXFIM-UHFFFAOYSA-N 0 3 352.434 3.185 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCOC[C@@H]2C)c1C#N ZINC000433166850 500638072 /nfs/dbraw/zinc/63/80/72/500638072.db2.gz HDFPRRVPUBZOOS-SCLBCKFNSA-N 0 3 358.486 3.045 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCOC[C@H]2C)c1C#N ZINC000433166844 500638140 /nfs/dbraw/zinc/63/81/40/500638140.db2.gz HDFPRRVPUBZOOS-ACJLOTCBSA-N 0 3 358.486 3.045 20 30 FGEDHN C=CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000442879500 500638651 /nfs/dbraw/zinc/63/86/51/500638651.db2.gz WKOSIMZUVFLDTD-OAHLLOKOSA-N 0 3 360.882 3.092 20 30 FGEDHN C[C@H]1CCN(C(=O)CNc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000437481441 500649694 /nfs/dbraw/zinc/64/96/94/500649694.db2.gz MNVBNFZUWORTND-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN Cc1cc(C)c(NC(=O)CNC(=O)C(C#N)CCc2ccccc2)c(C)c1 ZINC000433235079 500651738 /nfs/dbraw/zinc/65/17/38/500651738.db2.gz UFPUDXYXAQJABV-IBGZPJMESA-N 0 3 363.461 3.439 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000437511950 500652985 /nfs/dbraw/zinc/65/29/85/500652985.db2.gz BEIOYYYWZHLKPJ-HBFSDRIKSA-N 0 3 360.473 3.135 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000433319720 500671214 /nfs/dbraw/zinc/67/12/14/500671214.db2.gz PLWMFAUCDNSFPW-QGZVFWFLSA-N 0 3 368.868 3.156 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000447888486 500685437 /nfs/dbraw/zinc/68/54/37/500685437.db2.gz KVJLYRNYNGMUQJ-PERKRYKHSA-N 0 3 369.509 3.221 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000437780995 500694432 /nfs/dbraw/zinc/69/44/32/500694432.db2.gz DXMPPMBOMUMBPW-NJYVYQBISA-N 0 3 371.525 3.177 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)NCCCN2CCCO[C@@H](C)C2)c1 ZINC000433496921 500704675 /nfs/dbraw/zinc/70/46/75/500704675.db2.gz NDBSIUXNLLMPKV-KRWDZBQOSA-N 0 3 361.486 3.264 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(N2CCC2=O)c1)C(C)C ZINC000448057578 500712705 /nfs/dbraw/zinc/71/27/05/500712705.db2.gz YMTCQGQAVQEVEN-IBGZPJMESA-N 0 3 370.497 3.243 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000438203731 500753934 /nfs/dbraw/zinc/75/39/34/500753934.db2.gz TWEFHNAODVPXQK-NUJGCVRESA-N 0 3 363.527 3.165 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000448582565 500776671 /nfs/dbraw/zinc/77/66/71/500776671.db2.gz OSFHHKZLQARMDU-KRWDZBQOSA-N 0 3 356.495 3.459 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000448666017 500798369 /nfs/dbraw/zinc/79/83/69/500798369.db2.gz DOIZYYBOHMBUOD-FQEVSTJZSA-N 0 3 350.466 3.008 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434356081 500830916 /nfs/dbraw/zinc/83/09/16/500830916.db2.gz SUFAGICRIVYIHD-IBGZPJMESA-N 0 3 357.498 3.410 20 30 FGEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(Br)cc1C#N ZINC000448800570 500838208 /nfs/dbraw/zinc/83/82/08/500838208.db2.gz LYGYHLAXMBGAIX-AWEZNQCLSA-N 0 3 352.276 3.027 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)C1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000444597649 500864181 /nfs/dbraw/zinc/86/41/81/500864181.db2.gz NTTHCBHAVDWKMA-IAGOWNOFSA-N 0 3 356.514 3.456 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC000602591169 506226298 /nfs/dbraw/zinc/22/62/98/506226298.db2.gz FSKSYGUODFWWRD-CQSZACIVSA-N 0 3 366.387 3.257 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)Cc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000449357144 500985474 /nfs/dbraw/zinc/98/54/74/500985474.db2.gz BRTBOKDQEPKSJM-INIZCTEOSA-N 0 3 352.331 3.409 20 30 FGEDHN C=C[C@@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435511771 500987008 /nfs/dbraw/zinc/98/70/08/500987008.db2.gz QMEGAIQNRWRUFH-QAPCUYQASA-N 0 3 353.470 3.335 20 30 FGEDHN CS[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1N1CCCC1 ZINC000445609019 501010329 /nfs/dbraw/zinc/01/03/29/501010329.db2.gz QLSDVRZQTNBHRB-IAGOWNOFSA-N 0 3 374.460 3.401 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000435733906 501020295 /nfs/dbraw/zinc/02/02/95/501020295.db2.gz VIRMOVOBRYDYTA-PXAZEXFGSA-N 0 3 350.825 3.131 20 30 FGEDHN COc1cc(CN[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000440631764 501031765 /nfs/dbraw/zinc/03/17/65/501031765.db2.gz AWLFRWBPIYGGAR-UYAOXDASSA-N 0 3 357.404 3.380 20 30 FGEDHN COc1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1C#N ZINC000440821394 501053070 /nfs/dbraw/zinc/05/30/70/501053070.db2.gz AXYLGMYKBPHOIY-GOSISDBHSA-N 0 3 364.424 3.336 20 30 FGEDHN CC1CCC(N(CC(=O)NCc2cccc(C#N)c2)C[C@@H]2CCCO2)CC1 ZINC000441464276 501143606 /nfs/dbraw/zinc/14/36/06/501143606.db2.gz NTEGENKCIBVNAA-JITJBCMDSA-N 0 3 369.509 3.234 20 30 FGEDHN Cc1cc(N2CCN(CCc3ccccc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596063609 506236569 /nfs/dbraw/zinc/23/65/69/506236569.db2.gz WISFTGLVEHANMZ-UHFFFAOYSA-N 0 3 350.422 3.140 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2c(C#N)nnc3ccccc32)C1 ZINC000450814069 501212829 /nfs/dbraw/zinc/21/28/29/501212829.db2.gz UJZJZLHEYLJGOV-QGZVFWFLSA-N 0 3 357.461 3.460 20 30 FGEDHN Cc1ccc([C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000450286577 501225958 /nfs/dbraw/zinc/22/59/58/501225958.db2.gz ICSGFQRDSMOGTB-SFHVURJKSA-N 0 3 351.410 3.419 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000455436314 501301777 /nfs/dbraw/zinc/30/17/77/501301777.db2.gz RTMCVRZPJVSISD-RLLQIKCJSA-N 0 3 357.498 3.026 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000451594208 501332771 /nfs/dbraw/zinc/33/27/71/501332771.db2.gz AVBZBRNZFRSCMV-DBVUQKKJSA-N 0 3 350.462 3.214 20 30 FGEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451699189 501354474 /nfs/dbraw/zinc/35/44/74/501354474.db2.gz UNUDEWXLVVBTBO-DKOYFPBOSA-N 0 3 359.473 3.321 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)c1ccco1 ZINC000455752427 501379272 /nfs/dbraw/zinc/37/92/72/501379272.db2.gz CJHQVRKEWXFGSK-IAQYHMDHSA-N 0 3 361.833 3.451 20 30 FGEDHN C[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000456062543 501446589 /nfs/dbraw/zinc/44/65/89/501446589.db2.gz KUGNYFMAJAZWIP-QGZVFWFLSA-N 0 3 353.510 3.460 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000458751205 501522330 /nfs/dbraw/zinc/52/23/30/501522330.db2.gz BXAOGKWRNLNVEW-DYVFJYSZSA-N 0 3 358.417 3.219 20 30 FGEDHN CN(C)CCOC1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458800335 501534736 /nfs/dbraw/zinc/53/47/36/501534736.db2.gz KXFPNCHYQPJFEV-HXUWFJFHSA-N 0 3 372.513 3.174 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000453014384 501601534 /nfs/dbraw/zinc/60/15/34/501601534.db2.gz KKKDBXKEFSKDDS-PZJWPPBQSA-N 0 3 357.494 3.046 20 30 FGEDHN COc1ccc(CN2CC3(CCC3)[C@H]3COC[C@@H]32)cc1OCCCC#N ZINC000459682264 501698398 /nfs/dbraw/zinc/69/83/98/501698398.db2.gz SKLSQBQOALJXIW-ROUUACIJSA-N 0 3 356.466 3.379 20 30 FGEDHN CC(C)c1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000474208761 501743834 /nfs/dbraw/zinc/74/38/34/501743834.db2.gz HNPKRFVBNMBVAA-UHFFFAOYSA-N 0 3 350.466 3.281 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C12CCCC2 ZINC000485314124 501785470 /nfs/dbraw/zinc/78/54/70/501785470.db2.gz FDNFSXCWHXUTID-HSALFYBXSA-N 0 3 367.493 3.381 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CN1Cc1ccccc1 ZINC000467475633 501804321 /nfs/dbraw/zinc/80/43/21/501804321.db2.gz YGFACQKUUCCJEE-KBXCAEBGSA-N 0 3 352.413 3.482 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470875909 501839846 /nfs/dbraw/zinc/83/98/46/501839846.db2.gz MBWFKRASDHYBAA-NRFANRHFSA-N 0 3 354.413 3.327 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(OC(F)F)c2)cc1 ZINC000470895678 501845503 /nfs/dbraw/zinc/84/55/03/501845503.db2.gz ZBRDKKODLAKROR-MRXNPFEDSA-N 0 3 355.344 3.158 20 30 FGEDHN C[C@H](NC1(CNC(=O)CCCCCC#N)CCOCC1)c1ccccc1 ZINC000588365259 506278677 /nfs/dbraw/zinc/27/86/77/506278677.db2.gz JABNUKBROLSJNL-SFHVURJKSA-N 0 3 357.498 3.477 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000470965830 501873808 /nfs/dbraw/zinc/87/38/08/501873808.db2.gz HSBSWHVOOOILOX-PWRODBHTSA-N 0 3 359.429 3.135 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000470972880 501876764 /nfs/dbraw/zinc/87/67/64/501876764.db2.gz BBTBRHCJJOGNLT-RHSMWYFYSA-N 0 3 367.836 3.478 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000470980101 501881200 /nfs/dbraw/zinc/88/12/00/501881200.db2.gz UJURXGAFLWTDNH-UZLBHIALSA-N 0 3 369.428 3.304 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000470980099 501881832 /nfs/dbraw/zinc/88/18/32/501881832.db2.gz UJURXGAFLWTDNH-OXJNMPFZSA-N 0 3 369.428 3.304 20 30 FGEDHN Cc1ccn(-c2ccccc2CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000471061957 501906185 /nfs/dbraw/zinc/90/61/85/501906185.db2.gz MLQPUOJRPHBTAI-HXUWFJFHSA-N 0 3 369.428 3.051 20 30 FGEDHN CCC(CC)[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000471102444 501920101 /nfs/dbraw/zinc/92/01/01/501920101.db2.gz ZBWYOEOKLVKOHK-ZCNNSNEGSA-N 0 3 353.466 3.341 20 30 FGEDHN COC(=O)c1cc(C2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)no1 ZINC000602742963 506281836 /nfs/dbraw/zinc/28/18/36/506281836.db2.gz JIIHBVWUIDEIOL-UHFFFAOYSA-N 0 3 365.433 3.396 20 30 FGEDHN CC(C)N(C)c1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471144617 501933889 /nfs/dbraw/zinc/93/38/89/501933889.db2.gz SRQDNEOLNSVRBA-FQEVSTJZSA-N 0 3 360.461 3.402 20 30 FGEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000471156568 501938140 /nfs/dbraw/zinc/93/81/40/501938140.db2.gz LCIWBGKKJIUOJY-DJJJIMSYSA-N 0 3 363.889 3.317 20 30 FGEDHN COCCNC(=O)[C@H](CC(C)C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000482002346 501942605 /nfs/dbraw/zinc/94/26/05/501942605.db2.gz QDLDUCNTJWTCTM-PMACEKPBSA-N 0 3 357.498 3.093 20 30 FGEDHN Cc1c2ccccc2n(C)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471231562 501961503 /nfs/dbraw/zinc/96/15/03/501961503.db2.gz JJVGHTSVUWTCNG-SFHVURJKSA-N 0 3 356.429 3.357 20 30 FGEDHN N#Cc1cccc(NC(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000482072784 501965526 /nfs/dbraw/zinc/96/55/26/501965526.db2.gz JGVZXCAXEPCFKU-UHFFFAOYSA-N 0 3 358.511 3.431 20 30 FGEDHN C=CCCC1(C(=O)NCc2ccccc2CN2CCN(CC)CC2)CC1 ZINC000474895410 501983362 /nfs/dbraw/zinc/98/33/62/501983362.db2.gz WBDLWWWDNWXVNT-UHFFFAOYSA-N 0 3 355.526 3.187 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(F)cn1 ZINC000468467492 502068025 /nfs/dbraw/zinc/06/80/25/502068025.db2.gz BPKSPCAJIWKJHA-UHFFFAOYSA-N 0 3 361.490 3.319 20 30 FGEDHN CCOC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000475132424 502072355 /nfs/dbraw/zinc/07/23/55/502072355.db2.gz VHRUCUDHXZUHIB-VFNWGFHPSA-N 0 3 352.434 3.190 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@@H]2N(C)CCCC2(C)C)c(C#N)c(C)c1C ZINC000468483538 502076464 /nfs/dbraw/zinc/07/64/64/502076464.db2.gz LFVLJNPAJPPIFU-KRWDZBQOSA-N 0 3 374.554 3.207 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1C#N ZINC000468484644 502076580 /nfs/dbraw/zinc/07/65/80/502076580.db2.gz SKVGRSPCDRGHCA-QGZVFWFLSA-N 0 3 372.538 3.403 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1OC ZINC000482535798 502103491 /nfs/dbraw/zinc/10/34/91/502103491.db2.gz WOAFYJVVXUHZMN-YPAWHYETSA-N 0 3 366.461 3.419 20 30 FGEDHN COc1cc(CN2CCC[C@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000482832874 502191763 /nfs/dbraw/zinc/19/17/63/502191763.db2.gz CTWVCIZXLMEQAV-FQEVSTJZSA-N 0 3 366.461 3.350 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCN(CC4CCCC4)C3)on2)c1 ZINC000468895193 502221455 /nfs/dbraw/zinc/22/14/55/502221455.db2.gz GENRLRLARSTDRQ-SFHVURJKSA-N 0 3 364.449 3.208 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000472148351 502247825 /nfs/dbraw/zinc/24/78/25/502247825.db2.gz ZQQXDPHOLFBWBJ-WMLDXEAASA-N 0 3 357.417 3.005 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475675300 502251087 /nfs/dbraw/zinc/25/10/87/502251087.db2.gz MYTDDXILSJLVNT-QFIPXVFZSA-N 0 3 366.461 3.015 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)CC1CCC1 ZINC000483119836 502279612 /nfs/dbraw/zinc/27/96/12/502279612.db2.gz MSLGQPUZAMPRGX-UHFFFAOYSA-N 0 3 360.502 3.074 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(OCCCc3ccccc3)C2)cc1 ZINC000472250941 502285614 /nfs/dbraw/zinc/28/56/14/502285614.db2.gz WUMSNTOOFGIGMM-OAQYLSRUSA-N 0 3 373.456 3.101 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000465547853 502301832 /nfs/dbraw/zinc/30/18/32/502301832.db2.gz QLGHKHXGTOKTCJ-MISYRCLQSA-N 0 3 354.498 3.342 20 30 FGEDHN N#CC(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1nccc2ccccc21 ZINC000483198812 502312039 /nfs/dbraw/zinc/31/20/39/502312039.db2.gz MADSAGVFWKGKEX-QGZVFWFLSA-N 0 3 358.401 3.289 20 30 FGEDHN N#CC(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1nccc2ccccc21 ZINC000483198811 502312228 /nfs/dbraw/zinc/31/22/28/502312228.db2.gz MADSAGVFWKGKEX-KRWDZBQOSA-N 0 3 358.401 3.289 20 30 FGEDHN N#CC(C(=O)c1ccccc1SCC(N)=O)c1nccc2ccccc21 ZINC000483220907 502317475 /nfs/dbraw/zinc/31/74/75/502317475.db2.gz YBWSVSKTPPVBIY-INIZCTEOSA-N 0 3 361.426 3.302 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CCN1C ZINC000469471950 502429882 /nfs/dbraw/zinc/42/98/82/502429882.db2.gz FSNWULVQFXKOQF-IRXDYDNUSA-N 0 3 352.482 3.500 20 30 FGEDHN CN(C)CCOc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccn1 ZINC000487422775 502439823 /nfs/dbraw/zinc/43/98/23/502439823.db2.gz WTMYZPVRVWFVAJ-LJQANCHMSA-N 0 3 366.465 3.187 20 30 FGEDHN CN(C)C1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc2C1 ZINC000466016691 502455061 /nfs/dbraw/zinc/45/50/61/502455061.db2.gz LUZSEZYRRGNNDR-UHFFFAOYSA-N 0 3 368.868 3.432 20 30 FGEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462494802 502463948 /nfs/dbraw/zinc/46/39/48/502463948.db2.gz IBMVRKNDANEWOU-UHFFFAOYSA-N 0 3 368.437 3.053 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1(SC)CCN(C)CC1 ZINC000462508394 502469365 /nfs/dbraw/zinc/46/93/65/502469365.db2.gz WAZZLYCSPDXGNP-UHFFFAOYSA-N 0 3 372.538 3.083 20 30 FGEDHN C=CCC[C@@H](O)CN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005415 502497383 /nfs/dbraw/zinc/49/73/83/502497383.db2.gz AUJYNEVZMVACKM-NHCUHLMSSA-N 0 3 352.478 3.361 20 30 FGEDHN CNc1ccc(Cl)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000599087962 506318283 /nfs/dbraw/zinc/31/82/83/506318283.db2.gz ONYIQEXODCZROW-UHFFFAOYSA-N 0 3 370.884 3.457 20 30 FGEDHN N#Cc1cccc(CCNCc2cc3c(cc2Br)OCO3)c1 ZINC000466410332 502563463 /nfs/dbraw/zinc/56/34/63/502563463.db2.gz QGNHROJZBFNVFK-UHFFFAOYSA-N 0 3 359.223 3.382 20 30 FGEDHN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1cc(C#N)c2ccccc2n1 ZINC000462862779 502603531 /nfs/dbraw/zinc/60/35/31/502603531.db2.gz OHVPLQBRVBGDIF-SFHVURJKSA-N 0 3 371.488 3.151 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NCCCCN3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000488119961 502632588 /nfs/dbraw/zinc/63/25/88/502632588.db2.gz VBDRXQQNTXMSTK-IAGOWNOFSA-N 0 3 352.482 3.138 20 30 FGEDHN COc1ccc([C@H](CNC(=O)NCC2(C#N)CCCC2)N2CCCC2)cc1 ZINC000592999743 506327400 /nfs/dbraw/zinc/32/74/00/506327400.db2.gz UAQWOTCJTUKAQG-IBGZPJMESA-N 0 3 370.497 3.215 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000484645361 502694790 /nfs/dbraw/zinc/69/47/90/502694790.db2.gz GKUIESKMDJQVKX-QFUCXCTJSA-N 0 3 357.498 3.329 20 30 FGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000473992469 502774166 /nfs/dbraw/zinc/77/41/66/502774166.db2.gz DVFVTYSJEINYNL-CJNGLKHVSA-N 0 3 364.287 3.068 20 30 FGEDHN N#Cc1ccc(OCCN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000463429453 502797628 /nfs/dbraw/zinc/79/76/28/502797628.db2.gz JPVFBBYGKJOAGD-JOCHJYFZSA-N 0 3 350.462 3.254 20 30 FGEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000500617063 502827522 /nfs/dbraw/zinc/82/75/22/502827522.db2.gz KOFZTYNSNYCPSK-ZACQAIPSSA-N 0 3 359.539 3.274 20 30 FGEDHN C=CCOc1ccc(CNCCn2cc(Br)cn2)cc1OC ZINC000513002052 502829275 /nfs/dbraw/zinc/82/92/75/502829275.db2.gz RVRYVVVDIZTRHL-UHFFFAOYSA-N 0 3 366.259 3.009 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000495453627 502841793 /nfs/dbraw/zinc/84/17/93/502841793.db2.gz DNTMDLNNYKWZTG-IAGOWNOFSA-N 0 3 363.502 3.123 20 30 FGEDHN C=CCCc1ccccc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000505036269 502843349 /nfs/dbraw/zinc/84/33/49/502843349.db2.gz UZPVIAZNUKERTB-UHFFFAOYSA-N 0 3 358.530 3.343 20 30 FGEDHN C=CCC[C@H](O)CN[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513157532 502866742 /nfs/dbraw/zinc/86/67/42/502866742.db2.gz CIALEMNDRJQTQY-DOTOQJQBSA-N 0 3 370.287 3.144 20 30 FGEDHN COc1ccccc1O[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000513391579 502923552 /nfs/dbraw/zinc/92/35/52/502923552.db2.gz DICURUIUVGKZBL-IBGZPJMESA-N 0 3 352.434 3.489 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000505558996 502935571 /nfs/dbraw/zinc/93/55/71/502935571.db2.gz HRRQYTHKQLTJBV-IRXDYDNUSA-N 0 3 357.498 3.304 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC#Cc1ccccc1 ZINC000489401389 502948388 /nfs/dbraw/zinc/94/83/88/502948388.db2.gz WRRAABMFVUHOOG-SIKLNZKXSA-N 0 3 361.489 3.248 20 30 FGEDHN CN(CC(C)(C)C#N)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000497447805 502962481 /nfs/dbraw/zinc/96/24/81/502962481.db2.gz VRXOVAKYRAPNSW-SFHVURJKSA-N 0 3 367.415 3.449 20 30 FGEDHN Cc1cc(C)n(Cc2cccc(C(=O)C(C#N)c3cc(C)nc(C)n3)c2)n1 ZINC000501336827 502987477 /nfs/dbraw/zinc/98/74/77/502987477.db2.gz ZPFDNIXLERWTOY-LJQANCHMSA-N 0 3 359.433 3.445 20 30 FGEDHN C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCCC[C@H]1C ZINC000501522673 503028290 /nfs/dbraw/zinc/02/82/90/503028290.db2.gz QODJNWQQVFCFJI-SJORKVTESA-N 0 3 374.554 3.354 20 30 FGEDHN C=CCNC(=O)CN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000513959249 503055427 /nfs/dbraw/zinc/05/54/27/503055427.db2.gz INQHWTXTKLJPBY-SOLBZPMBSA-N 0 3 358.482 3.344 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc2ccccc21 ZINC000497879943 503059999 /nfs/dbraw/zinc/05/99/99/503059999.db2.gz GDFFVCGDWZZKOI-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN C=CCn1cccc1C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000489946233 503073183 /nfs/dbraw/zinc/07/31/83/503073183.db2.gz CPZRSYTXBSCQGY-LJQANCHMSA-N 0 3 353.466 3.250 20 30 FGEDHN C=CCn1cccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000489968788 503078168 /nfs/dbraw/zinc/07/81/68/503078168.db2.gz WTDHANPTQQZJMB-UHFFFAOYSA-N 0 3 353.466 3.131 20 30 FGEDHN CCC[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CCN1CCOC ZINC000501796466 503081194 /nfs/dbraw/zinc/08/11/94/503081194.db2.gz UQEDMADUOURZNS-KRWDZBQOSA-N 0 3 367.440 3.092 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N)N(C)C ZINC000510535584 503136821 /nfs/dbraw/zinc/13/68/21/503136821.db2.gz DYZXOFYUHFQGKM-WWMYMODYSA-N 0 3 365.477 3.442 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000498285570 503150262 /nfs/dbraw/zinc/15/02/62/503150262.db2.gz NOKKDYOBSXTHAC-PMACEKPBSA-N 0 3 353.466 3.465 20 30 FGEDHN C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCC[C@H](C)C1 ZINC000502274805 503172367 /nfs/dbraw/zinc/17/23/67/503172367.db2.gz HQCUKENWXGNQOH-ZWKOTPCHSA-N 0 3 366.509 3.477 20 30 FGEDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000498380160 503174129 /nfs/dbraw/zinc/17/41/29/503174129.db2.gz BUORJIZABBXFOH-SFTDATJTSA-N 0 3 363.461 3.142 20 30 FGEDHN Cn1cc(CN2CCC(OCC3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490571111 503197677 /nfs/dbraw/zinc/19/76/77/503197677.db2.gz USVKMJLZQQFNSD-UHFFFAOYSA-N 0 3 350.466 3.350 20 30 FGEDHN C[C@]1(c2cccc(F)c2)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000593046861 506358016 /nfs/dbraw/zinc/35/80/16/506358016.db2.gz UHJWPYOWOPDBOB-IRLDBZIGSA-N 0 3 368.452 3.295 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490828559 503233280 /nfs/dbraw/zinc/23/32/80/503233280.db2.gz RFXIOZYAOUYWAX-UHFFFAOYSA-N 0 3 364.405 3.460 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000511230635 503284163 /nfs/dbraw/zinc/28/41/63/503284163.db2.gz RVDNKKGZQQKBMS-KRWDZBQOSA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1cc(C(=O)NCc2ccccc2CN(C)C)nn1-c1cccc(C#N)c1 ZINC000502942535 503311891 /nfs/dbraw/zinc/31/18/91/503311891.db2.gz VDZZHRAUZABTOX-UHFFFAOYSA-N 0 3 373.460 3.044 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000499043974 503319795 /nfs/dbraw/zinc/31/97/95/503319795.db2.gz OPOMQAQFLADSBD-UHFFFAOYSA-N 0 3 373.403 3.364 20 30 FGEDHN C[C@@H](N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)N(C)CCC#N ZINC000511587625 503349475 /nfs/dbraw/zinc/34/94/75/503349475.db2.gz LDIJUTWQHNUEAZ-WBMJQRKESA-N 0 3 369.387 3.386 20 30 FGEDHN CCN(CCC#N)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000492109297 503349631 /nfs/dbraw/zinc/34/96/31/503349631.db2.gz LZAYJRJTJUNBDJ-QGZVFWFLSA-N 0 3 353.388 3.203 20 30 FGEDHN C[C@H](C(=O)N1CCC(C)(C#N)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000507823392 503374581 /nfs/dbraw/zinc/37/45/81/503374581.db2.gz GBVPNAMIHYKXRI-GOSISDBHSA-N 0 3 353.510 3.482 20 30 FGEDHN N#Cc1cccc(NC(=O)CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938760 506368834 /nfs/dbraw/zinc/36/88/34/506368834.db2.gz WHAGMTCGSZUXMY-OAQYLSRUSA-N 0 3 362.477 3.314 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccnc(SCC(F)(F)F)c2)CC1 ZINC000493411737 503425990 /nfs/dbraw/zinc/42/59/90/503425990.db2.gz UQEPXLJQUPMSHF-UHFFFAOYSA-N 0 3 359.417 3.116 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000508416327 503490876 /nfs/dbraw/zinc/49/08/76/503490876.db2.gz ZVEYFDHYEJWZSE-IBGZPJMESA-N 0 3 357.498 3.411 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000508482330 503503140 /nfs/dbraw/zinc/50/31/40/503503140.db2.gz CUZMVXXRYUVMRR-ZACQAIPSSA-N 0 3 355.482 3.189 20 30 FGEDHN C=CCC[C@H](O)CN[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494211275 503503913 /nfs/dbraw/zinc/50/39/13/503503913.db2.gz FHHSGRUSWVGZAI-YJLNNSPDSA-N 0 3 368.880 3.446 20 30 FGEDHN C=CCn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508490107 503504548 /nfs/dbraw/zinc/50/45/48/503504548.db2.gz ATTUBBMMNLLKEC-INIZCTEOSA-N 0 3 355.461 3.335 20 30 FGEDHN C=CCn1c(CCCc2cccs2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508497461 503506119 /nfs/dbraw/zinc/50/61/19/503506119.db2.gz LJBBISCFNRAMOV-GOSISDBHSA-N 0 3 373.570 3.477 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000611966864 506376021 /nfs/dbraw/zinc/37/60/21/506376021.db2.gz CMRGJMWEAIQDFQ-CABCVRRESA-N 0 3 365.433 3.413 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000494256407 503513971 /nfs/dbraw/zinc/51/39/71/503513971.db2.gz IZNPXLBKBWKZJO-AZUAARDMSA-N 0 3 353.853 3.468 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cn2ccc(C)cc2n1)C(C)C ZINC000516564307 503538269 /nfs/dbraw/zinc/53/82/69/503538269.db2.gz XDGFYESECNPFSM-IBGZPJMESA-N 0 3 369.513 3.141 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508715933 503549293 /nfs/dbraw/zinc/54/92/93/503549293.db2.gz QCQSYOBJCLNDOJ-IAGOWNOFSA-N 0 3 373.545 3.057 20 30 FGEDHN CN(C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1 ZINC000504608158 503596166 /nfs/dbraw/zinc/59/61/66/503596166.db2.gz UUBQVYAKHKEHNH-LJQANCHMSA-N 0 3 353.441 3.394 20 30 FGEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508907335 503597015 /nfs/dbraw/zinc/59/70/15/503597015.db2.gz MGQVNWWFRZYBMB-UHFFFAOYSA-N 0 3 368.529 3.393 20 30 FGEDHN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC2CC2)CC1 ZINC000508949840 503606182 /nfs/dbraw/zinc/60/61/82/503606182.db2.gz IOTCPKDXTTYUAW-UHFFFAOYSA-N 0 3 357.889 3.317 20 30 FGEDHN CCc1cc(N2CCC[C@H](N[C@@H](C)c3ccc(C#N)cc3F)C2)ncn1 ZINC000512665941 503607231 /nfs/dbraw/zinc/60/72/31/503607231.db2.gz IEAPBYDGHXCIBT-YOEHRIQHSA-N 0 3 353.445 3.369 20 30 FGEDHN C=C(CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)c1ccccc1 ZINC000512674762 503610212 /nfs/dbraw/zinc/61/02/12/503610212.db2.gz YTCLMBKNANTACQ-FQEVSTJZSA-N 0 3 353.466 3.311 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000509043284 503629289 /nfs/dbraw/zinc/62/92/89/503629289.db2.gz GULVKLDGTPLCEZ-UHFFFAOYSA-N 0 3 367.280 3.411 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(Cn2cc(C)cn2)CC1 ZINC000532965018 503676861 /nfs/dbraw/zinc/67/68/61/503676861.db2.gz YUTHPNXGMYMJBL-NRFANRHFSA-N 0 3 369.509 3.072 20 30 FGEDHN C[C@H](NCC(=O)NCc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000540476002 503783696 /nfs/dbraw/zinc/78/36/96/503783696.db2.gz GXIDWGSZGJIVRH-KRWDZBQOSA-N 0 3 362.477 3.125 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000533303650 503800064 /nfs/dbraw/zinc/80/00/64/503800064.db2.gz LKQSZPZQNQCSJE-DOTOQJQBSA-N 0 3 372.538 3.045 20 30 FGEDHN C=CCN(C(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CC1 ZINC000537140693 503816324 /nfs/dbraw/zinc/81/63/24/503816324.db2.gz QQVBKODLDZBRNH-UHFFFAOYSA-N 0 3 357.498 3.064 20 30 FGEDHN N#Cc1cccc(CNC(=O)CNC2(c3ccc(F)cc3)CCCC2)c1 ZINC000533374323 503821360 /nfs/dbraw/zinc/82/13/60/503821360.db2.gz HKNQQEXZFFDPAV-UHFFFAOYSA-N 0 3 351.425 3.373 20 30 FGEDHN CC(C)(C)[C@@H](COc1ccccc1F)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000540591907 503827237 /nfs/dbraw/zinc/82/72/37/503827237.db2.gz LJLDCJPAXQCWEH-YLJYHZDGSA-N 0 3 361.461 3.017 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000530231675 503885022 /nfs/dbraw/zinc/88/50/22/503885022.db2.gz KRZCTOSQKUQJNG-MAUKXSAKSA-N 0 3 372.852 3.455 20 30 FGEDHN N#CC(C(=O)c1ccccc1OCCOc1ccccc1)c1ccncn1 ZINC000546860647 503905778 /nfs/dbraw/zinc/90/57/78/503905778.db2.gz ZETIVOXCXKYKTH-GOSISDBHSA-N 0 3 359.385 3.424 20 30 FGEDHN C=CCN(CCc1ccccc1)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000518086351 503905799 /nfs/dbraw/zinc/90/57/99/503905799.db2.gz VJACOESJRGXEIO-UHFFFAOYSA-N 0 3 373.541 3.316 20 30 FGEDHN COCCn1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000543878984 503926190 /nfs/dbraw/zinc/92/61/90/503926190.db2.gz DYQKZTYGGOIUSQ-LBPRGKRZSA-N 0 3 373.363 3.073 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC(CCCn2ccnc2)CC1 ZINC000543988048 503961082 /nfs/dbraw/zinc/96/10/82/503961082.db2.gz WIRCHWJZAXQJCQ-UHFFFAOYSA-N 0 3 368.481 3.335 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)N(CCN(C)C)CCN(C)C ZINC000530447268 503968176 /nfs/dbraw/zinc/96/81/76/503968176.db2.gz YOSJDCDTUSCTBB-UHFFFAOYSA-N 0 3 360.546 3.496 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CCC(OCCO)CC2)c1 ZINC000537661080 503995411 /nfs/dbraw/zinc/99/54/11/503995411.db2.gz MRKAJBILTBYQIZ-UHFFFAOYSA-N 0 3 366.461 3.111 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)CC1 ZINC000518496062 504000560 /nfs/dbraw/zinc/00/05/60/504000560.db2.gz GWOXQFCHXMCLGF-UHFFFAOYSA-N 0 3 352.482 3.259 20 30 FGEDHN CCC(C#N)(CC)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000527932003 504002465 /nfs/dbraw/zinc/00/24/65/504002465.db2.gz KDLUEZUINSYIEG-KRWDZBQOSA-N 0 3 355.482 3.421 20 30 FGEDHN Cc1nsc(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1C#N ZINC000518542299 504012539 /nfs/dbraw/zinc/01/25/39/504012539.db2.gz PNXYOSGSOPXHRS-GOSISDBHSA-N 0 3 355.467 3.109 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000530716450 504062885 /nfs/dbraw/zinc/06/28/85/504062885.db2.gz VCVQXBJBBOKALS-SJORKVTESA-N 0 3 372.538 3.056 20 30 FGEDHN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CC)CC1 ZINC000518840201 504075609 /nfs/dbraw/zinc/07/56/09/504075609.db2.gz VEFMPGYYKINKSG-UHFFFAOYSA-N 0 3 350.470 3.144 20 30 FGEDHN CN(C)CC1(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC000547375710 504082880 /nfs/dbraw/zinc/08/28/80/504082880.db2.gz MECNSCRROCOGLW-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN CCN(C(=O)Cc1ccc(C#N)nc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000528126289 504083300 /nfs/dbraw/zinc/08/33/00/504083300.db2.gz GNTGXJDGHLWMQM-UWJYYQICSA-N 0 3 362.477 3.180 20 30 FGEDHN COc1cc([C@H](C)NCCOc2ccccc2C#N)cc(OC)c1OC ZINC000538126900 504137646 /nfs/dbraw/zinc/13/76/46/504137646.db2.gz SMDPVHNSVJLOBQ-AWEZNQCLSA-N 0 3 356.422 3.314 20 30 FGEDHN C=C[C@H](CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000534689425 504216287 /nfs/dbraw/zinc/21/62/87/504216287.db2.gz AIKWKQMXUIYZTB-OFNKIYASSA-N 0 3 364.489 3.100 20 30 FGEDHN Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1ccccc1C#N)CCC2 ZINC000528421043 504217439 /nfs/dbraw/zinc/21/74/39/504217439.db2.gz ZESJUPSTJSERMA-RDJZCZTQSA-N 0 3 357.479 3.072 20 30 FGEDHN COC(=O)CC1(NCC#Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000547771935 504219661 /nfs/dbraw/zinc/21/96/61/504219661.db2.gz VHZCKMNCQCRIAB-UHFFFAOYSA-N 0 3 355.356 3.402 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1 ZINC000528446854 504228539 /nfs/dbraw/zinc/22/85/39/504228539.db2.gz FRHDLLJNBUTIOJ-UHFFFAOYSA-N 0 3 370.419 3.009 20 30 FGEDHN CN(Cc1ccc([S@](C)=O)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000538386954 504228879 /nfs/dbraw/zinc/22/88/79/504228879.db2.gz GKKZNVRCQOKKAO-CJAUYULYSA-N 0 3 354.475 3.155 20 30 FGEDHN C[C@H](NCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538502003 504265791 /nfs/dbraw/zinc/26/57/91/504265791.db2.gz QVAMLLIKXGTCRF-SFHVURJKSA-N 0 3 366.484 3.166 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1scnc1C1CC1 ZINC000534989656 504303518 /nfs/dbraw/zinc/30/35/18/504303518.db2.gz NYWJJGYROBXSCB-UHFFFAOYSA-N 0 3 369.494 3.488 20 30 FGEDHN CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000528656448 504316574 /nfs/dbraw/zinc/31/65/74/504316574.db2.gz WLCCCHNFBOMECR-SFHVURJKSA-N 0 3 370.497 3.121 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CN1C1CC1 ZINC000531482920 504323192 /nfs/dbraw/zinc/32/31/92/504323192.db2.gz VZBCWUDBLBOQSS-WMLDXEAASA-N 0 3 362.433 3.101 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)C2=O)cc1 ZINC000519806218 504346352 /nfs/dbraw/zinc/34/63/52/504346352.db2.gz DDDJJVVWHYIWLV-JSXRDJHFSA-N 0 3 367.493 3.069 20 30 FGEDHN C=C(C)[C@H](CC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)OCC ZINC000535150966 504356392 /nfs/dbraw/zinc/35/63/92/504356392.db2.gz JRXRLLYMYMVODG-NSHGMRRFSA-N 0 3 366.546 3.096 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000519857648 504366391 /nfs/dbraw/zinc/36/63/91/504366391.db2.gz FKFDQMLSGMLEHN-OAHLLOKOSA-N 0 3 365.437 3.209 20 30 FGEDHN N#C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000520093981 504409945 /nfs/dbraw/zinc/40/99/45/504409945.db2.gz STGUIOZGSIVTON-HXUWFJFHSA-N 0 3 351.425 3.419 20 30 FGEDHN C=CCN(Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000535394957 504423404 /nfs/dbraw/zinc/42/34/04/504423404.db2.gz YDKZVNVJQYMERZ-INIZCTEOSA-N 0 3 374.448 3.292 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1ccccc1O ZINC000542317935 504448947 /nfs/dbraw/zinc/44/89/47/504448947.db2.gz JDQCQSSLLORWJV-UHFFFAOYSA-N 0 3 357.841 3.420 20 30 FGEDHN CC1(C)C[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C(C)(C)O1 ZINC000528997007 504488616 /nfs/dbraw/zinc/48/86/16/504488616.db2.gz VMLARKQFDFJJSP-GJZGRUSLSA-N 0 3 362.857 3.259 20 30 FGEDHN CC(C)C[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000539241949 504509711 /nfs/dbraw/zinc/50/97/11/504509711.db2.gz OJPQXYMOETZFRA-NHCUHLMSSA-N 0 3 370.541 3.056 20 30 FGEDHN COC[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000542522128 504524477 /nfs/dbraw/zinc/52/44/77/504524477.db2.gz PQSPILNTVZHLLF-CZUORRHYSA-N 0 3 363.527 3.476 20 30 FGEDHN COC(=O)C[C@H](NCC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000542531976 504529192 /nfs/dbraw/zinc/52/91/92/504529192.db2.gz NBHQCLRENDDCRS-IBGZPJMESA-N 0 3 371.481 3.035 20 30 FGEDHN C=CCOc1cccnc1-c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000545566472 504529274 /nfs/dbraw/zinc/52/92/74/504529274.db2.gz PZZXFQUAFGIXJA-UHFFFAOYSA-N 0 3 366.421 3.304 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc3sc(C)nc3cc2OC)CC1 ZINC000520744310 504571700 /nfs/dbraw/zinc/57/17/00/504571700.db2.gz XNTIMJPVVRMEAV-UHFFFAOYSA-N 0 3 360.483 3.385 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC(CC#N)CC2)N2CCCC2)cc1 ZINC000542897698 504650196 /nfs/dbraw/zinc/65/01/96/504650196.db2.gz KCNAWRIBIZWVIK-FQEVSTJZSA-N 0 3 354.498 3.467 20 30 FGEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000521114420 504653348 /nfs/dbraw/zinc/65/33/48/504653348.db2.gz BJVPGZZKSBVETJ-SJORKVTESA-N 0 3 361.873 3.478 20 30 FGEDHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934850 504664822 /nfs/dbraw/zinc/66/48/22/504664822.db2.gz YTLUSBSGCQJHOS-LSDHHAIUSA-N 0 3 364.449 3.110 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cc3c(s2)CCCC3)cc1 ZINC000549151963 504705202 /nfs/dbraw/zinc/70/52/02/504705202.db2.gz HPVSGERWLVAYDD-KRWDZBQOSA-N 0 3 356.491 3.222 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCc2ccc(OC)cc2CC1 ZINC000536347505 504706409 /nfs/dbraw/zinc/70/64/09/504706409.db2.gz DWFICMBNPUFDAK-NRFANRHFSA-N 0 3 367.489 3.264 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC000521352318 504715362 /nfs/dbraw/zinc/71/53/62/504715362.db2.gz XTVUBSGRPLUYNJ-YVEFUNNKSA-N 0 3 361.467 3.073 20 30 FGEDHN Cc1nc(COc2cccc(C(=O)C(C#N)c3ccncn3)c2)cs1 ZINC000546153794 504727680 /nfs/dbraw/zinc/72/76/80/504727680.db2.gz YSDJLOITQKNJSC-MRXNPFEDSA-N 0 3 350.403 3.311 20 30 FGEDHN CN(C)C[C@H](NC(=O)COc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000549230569 504731924 /nfs/dbraw/zinc/73/19/24/504731924.db2.gz SHHRSKLLISLCMA-KRWDZBQOSA-N 0 3 357.841 3.010 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000521419605 504732748 /nfs/dbraw/zinc/73/27/48/504732748.db2.gz BCQMUVCNLWPHQV-KRWDZBQOSA-N 0 3 355.482 3.050 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000521537206 504754449 /nfs/dbraw/zinc/75/44/49/504754449.db2.gz ISAUPVGXJQNTMI-LLVKDONJSA-N 0 3 372.296 3.261 20 30 FGEDHN CC(C)(C)c1ncc2c(n1)CCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000529679102 504760045 /nfs/dbraw/zinc/76/00/45/504760045.db2.gz ZCHCAQIWIPELNA-KRWDZBQOSA-N 0 3 362.477 3.431 20 30 FGEDHN N#Cc1ccccc1OC1CCC(N[C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000556118716 504800168 /nfs/dbraw/zinc/80/01/68/504800168.db2.gz IMMJKYLCHZKLCL-QLOJAFMTSA-N 0 3 374.448 3.141 20 30 FGEDHN CN(C(=O)NCC#Cc1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000549584251 504854266 /nfs/dbraw/zinc/85/42/66/504854266.db2.gz NHJMCTDDXXREHR-OAQYLSRUSA-N 0 3 365.452 3.093 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000549920158 504933992 /nfs/dbraw/zinc/93/39/92/504933992.db2.gz QYAAXSBBXAYTGS-XFHKCVFHSA-N 0 3 373.884 3.476 20 30 FGEDHN Cc1cccc(C)c1OC[C@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000562986785 505011046 /nfs/dbraw/zinc/01/10/46/505011046.db2.gz RQXBOCUFHAGIRP-ICSRJNTNSA-N 0 3 368.477 3.166 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2ccccc2C(F)(F)F)cc1 ZINC000566106392 505082061 /nfs/dbraw/zinc/08/20/61/505082061.db2.gz OESDYQQVVYGINC-HNNXBMFYSA-N 0 3 350.340 3.107 20 30 FGEDHN O=C(NCC#Cc1ccccc1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000563298524 505100260 /nfs/dbraw/zinc/10/02/60/505100260.db2.gz OKCCOASLXOPUKL-DHIUTWEWSA-N 0 3 373.500 3.202 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3cscc3C#N)cc2)CC1 ZINC000560513780 505109694 /nfs/dbraw/zinc/10/96/94/505109694.db2.gz DQLDNBHWPAXYMB-UHFFFAOYSA-N 0 3 355.463 3.023 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000557517269 505154550 /nfs/dbraw/zinc/15/45/50/505154550.db2.gz HQWOIWKWEBNQSB-XOBRGWDASA-N 0 3 369.490 3.195 20 30 FGEDHN COc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000551221706 505180555 /nfs/dbraw/zinc/18/05/55/505180555.db2.gz XHFYUFURPIIOLJ-UHFFFAOYSA-N 0 3 351.450 3.334 20 30 FGEDHN C[C@]1(CNC(=O)c2ccc(F)c(C#N)c2)CCCN1Cc1ccccc1 ZINC000551311818 505198371 /nfs/dbraw/zinc/19/83/71/505198371.db2.gz MBCXXJMQSMEKIF-OAQYLSRUSA-N 0 3 351.425 3.482 20 30 FGEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@H]1OCCc2ccccc21 ZINC000554602549 505218568 /nfs/dbraw/zinc/21/85/68/505218568.db2.gz OULNOQBRYBAJSC-QGZVFWFLSA-N 0 3 355.463 3.194 20 30 FGEDHN Cc1n[nH]cc1C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000551422393 505223445 /nfs/dbraw/zinc/22/34/45/505223445.db2.gz DMTSMUBUVYJCCU-UHFFFAOYSA-N 0 3 360.465 3.370 20 30 FGEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000557850386 505245851 /nfs/dbraw/zinc/24/58/51/505245851.db2.gz WBCXGZUHIRNZKP-UHFFFAOYSA-N 0 3 369.918 3.098 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)c2ccc(C#N)c(C)n2)N(C)C)cc1 ZINC000554706936 505245806 /nfs/dbraw/zinc/24/58/06/505245806.db2.gz ZVADFKOCEQBUBJ-SFHVURJKSA-N 0 3 354.479 3.016 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](CC2CCC2)c2ccccc2)nc1 ZINC000554739473 505254254 /nfs/dbraw/zinc/25/42/54/505254254.db2.gz ZARGKOPPHXWSMP-IBGZPJMESA-N 0 3 369.490 3.248 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3nccc(C#N)c3Cl)CC2)C[C@H](C)O1 ZINC000561235264 505288420 /nfs/dbraw/zinc/28/84/20/505288420.db2.gz AOLXHMCGHIFNPP-GJZGRUSLSA-N 0 3 362.905 3.322 20 30 FGEDHN CN1CC[C@@]2(CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)C1 ZINC000558033515 505293691 /nfs/dbraw/zinc/29/36/91/505293691.db2.gz QABHLOMKDFYKCS-JOCHJYFZSA-N 0 3 360.461 3.470 20 30 FGEDHN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000554934923 505303111 /nfs/dbraw/zinc/30/31/11/505303111.db2.gz BQQVNNUTEPQBPZ-INIZCTEOSA-N 0 3 362.481 3.285 20 30 FGEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000567007703 505337084 /nfs/dbraw/zinc/33/70/84/505337084.db2.gz WBDLAZMWGOVCQE-OAHLLOKOSA-N 0 3 373.334 3.483 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000555144160 505362651 /nfs/dbraw/zinc/36/26/51/505362651.db2.gz FGYRJMKJCFTJLO-IYBDPMFKSA-N 0 3 372.469 3.182 20 30 FGEDHN N#Cc1ccc(CN(CC[C@@H]2CCNC2=O)Cc2cccc(F)c2)cc1 ZINC000567109764 505366026 /nfs/dbraw/zinc/36/60/26/505366026.db2.gz OQNFGFQVSDIFFT-IBGZPJMESA-N 0 3 351.425 3.226 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552058182 505385109 /nfs/dbraw/zinc/38/51/09/505385109.db2.gz YMPGGLPXVRPRAJ-ZWKOTPCHSA-N 0 3 352.425 3.279 20 30 FGEDHN CSc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)N(C)C)cc1 ZINC000555263789 505394686 /nfs/dbraw/zinc/39/46/86/505394686.db2.gz OKMXXZOURVTJRU-KRWDZBQOSA-N 0 3 371.466 3.485 20 30 FGEDHN N#CC1CCC(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000567212263 505395950 /nfs/dbraw/zinc/39/59/50/505395950.db2.gz DERJMXQXDFWVMS-AFMYVXGZSA-N 0 3 354.498 3.280 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)N(C)C)cc1 ZINC000561676325 505407240 /nfs/dbraw/zinc/40/72/40/505407240.db2.gz QLFVVBCNYFEBJT-FQEVSTJZSA-N 0 3 351.450 3.378 20 30 FGEDHN CCN(CCN1CCCCCC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000552139946 505413460 /nfs/dbraw/zinc/41/34/60/505413460.db2.gz FOCFWHDVQBSQDL-UHFFFAOYSA-N 0 3 368.403 3.310 20 30 FGEDHN Cc1ccc([C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)N2CCOCC2)o1 ZINC000564431274 505418848 /nfs/dbraw/zinc/41/88/48/505418848.db2.gz BRNAXZCUGUBGQU-WOJBJXKFSA-N 0 3 351.450 3.110 20 30 FGEDHN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1cc(C(F)(F)F)ccn1 ZINC000558671991 505458510 /nfs/dbraw/zinc/45/85/10/505458510.db2.gz IYZZOPWJBFQPMO-HNNXBMFYSA-N 0 3 373.334 3.483 20 30 FGEDHN C[C@@H](OCCCNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000558718061 505472977 /nfs/dbraw/zinc/47/29/77/505472977.db2.gz GVURUJKTWMBZGI-QGZVFWFLSA-N 0 3 372.490 3.089 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000558750855 505482863 /nfs/dbraw/zinc/48/28/63/505482863.db2.gz UIHQZHVPVMZNTF-OAHLLOKOSA-N 0 3 368.330 3.246 20 30 FGEDHN CCN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@@H](C)CO ZINC000555667603 505489667 /nfs/dbraw/zinc/48/96/67/505489667.db2.gz LVNZBCQEUDXWFE-INIZCTEOSA-N 0 3 354.450 3.349 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000555686452 505492108 /nfs/dbraw/zinc/49/21/08/505492108.db2.gz XYTPLANTLZNNSC-FXAWDEMLSA-N 0 3 372.852 3.105 20 30 FGEDHN N#Cc1cccc(OCCN(Cc2ccc(-n3cncn3)cc2)C2CC2)c1 ZINC000558860134 505513240 /nfs/dbraw/zinc/51/32/40/505513240.db2.gz PBCFXOPLURMGSR-UHFFFAOYSA-N 0 3 359.433 3.182 20 30 FGEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000558993851 505547948 /nfs/dbraw/zinc/54/79/48/505547948.db2.gz ZCSDHVPLMISDIO-UHFFFAOYSA-N 0 3 361.534 3.093 20 30 FGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000559047251 505556755 /nfs/dbraw/zinc/55/67/55/505556755.db2.gz PRLUQIPVLQUAPH-SFTDATJTSA-N 0 3 362.477 3.237 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3cccnc3)C2)c(OC)c1 ZINC000564921161 505558714 /nfs/dbraw/zinc/55/87/14/505558714.db2.gz VFAOIUCHWXETOH-UXHICEINSA-N 0 3 368.477 3.048 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC(OCC3CCCCC3)CC2)CCOCC1 ZINC000599300571 506401993 /nfs/dbraw/zinc/40/19/93/506401993.db2.gz SLZPINNBDANOCB-IBGZPJMESA-N 0 3 364.530 3.119 20 30 FGEDHN COc1ccc([C@H](NC[C@@H](O)COc2ccccc2C#N)C(C)C)cc1 ZINC000599348831 506422654 /nfs/dbraw/zinc/42/26/54/506422654.db2.gz MWLZMWZXZLKGDV-WIYYLYMNSA-N 0 3 354.450 3.293 20 30 FGEDHN N#CC1(C[C@@H](O)CNC2(c3ccc(F)cc3F)CCCC2)CCOCC1 ZINC000599355289 506426264 /nfs/dbraw/zinc/42/62/64/506426264.db2.gz XUANXCKIXRUWIG-MRXNPFEDSA-N 0 3 364.436 3.395 20 30 FGEDHN CC[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCc2ccccc2C1 ZINC000612099783 506434856 /nfs/dbraw/zinc/43/48/56/506434856.db2.gz JFQNRYHSILEKKY-CTNGQTDRSA-N 0 3 354.498 3.159 20 30 FGEDHN COCC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599433270 506454938 /nfs/dbraw/zinc/45/49/38/506454938.db2.gz PBHMUDONHVUBRY-JKSUJKDBSA-N 0 3 356.388 3.427 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2Cc2cc(F)ccc2F)CCOCC1 ZINC000599439332 506456880 /nfs/dbraw/zinc/45/68/80/506456880.db2.gz OLKDIHWLBCKOCA-ROUUACIJSA-N 0 3 364.436 3.043 20 30 FGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(F)c(Br)cc1F ZINC000599540746 506491465 /nfs/dbraw/zinc/49/14/65/506491465.db2.gz BXLRXRCWXGRLOW-UWVGGRQHSA-N 0 3 359.214 3.433 20 30 FGEDHN CN(CCCN(C)c1cc(C#N)c(Br)cn1)Cc1ccncc1 ZINC000603398681 506503327 /nfs/dbraw/zinc/50/33/27/506503327.db2.gz CMUODIFYEHCFKR-UHFFFAOYSA-N 0 3 374.286 3.069 20 30 FGEDHN CN(C)C[C@H](NC(=O)NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000596676302 506525990 /nfs/dbraw/zinc/52/59/90/506525990.db2.gz YDUVXPKBFBECAW-IBGZPJMESA-N 0 3 370.884 3.356 20 30 FGEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000596683189 506534648 /nfs/dbraw/zinc/53/46/48/506534648.db2.gz IUHRZTCEHSKIGL-KRWDZBQOSA-N 0 3 365.437 3.351 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000599626631 506538172 /nfs/dbraw/zinc/53/81/72/506538172.db2.gz XKMRAQJPVMZUMT-NSOKGPEJSA-N 0 3 357.498 3.340 20 30 FGEDHN CN(C(=O)NCC1(C#N)CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000593430715 506614999 /nfs/dbraw/zinc/61/49/99/506614999.db2.gz RIALNAYXNKXGGI-IBGZPJMESA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1csc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)c1C#N ZINC000596902671 506665817 /nfs/dbraw/zinc/66/58/17/506665817.db2.gz GXLWONJGGJNNJE-UHFFFAOYSA-N 0 3 369.494 3.357 20 30 FGEDHN CN(C)Cc1cccc(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593532704 506674006 /nfs/dbraw/zinc/67/40/06/506674006.db2.gz YTUQXXJYGXLNAI-UHFFFAOYSA-N 0 3 371.506 3.028 20 30 FGEDHN Cc1cc(C)n(-c2ccc(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)n1 ZINC000590005111 506703362 /nfs/dbraw/zinc/70/33/62/506703362.db2.gz QISLANLOESPTMS-NRFANRHFSA-N 0 3 373.460 3.409 20 30 FGEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H](C)C1 ZINC000590049695 506715366 /nfs/dbraw/zinc/71/53/66/506715366.db2.gz SLBDBBXIKCNKBJ-DOXZYTNZSA-N 0 3 364.449 3.016 20 30 FGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1nc(C(F)(F)F)no1 ZINC000600030096 506751157 /nfs/dbraw/zinc/75/11/57/506751157.db2.gz AYXVSPWZWXCLGB-CMPLNLGQSA-N 0 3 352.316 3.038 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CC[C@H](Cn4ccnn4)C3)c2)c1 ZINC000597176895 506814296 /nfs/dbraw/zinc/81/42/96/506814296.db2.gz XTGQSBOUZJLYPU-NRFANRHFSA-N 0 3 373.460 3.251 20 30 FGEDHN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593886589 506821083 /nfs/dbraw/zinc/82/10/83/506821083.db2.gz RXWDYSAYYMUROA-UHFFFAOYSA-N 0 3 365.481 3.108 20 30 FGEDHN CO[C@@]1(CO)CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597186712 506823405 /nfs/dbraw/zinc/82/34/05/506823405.db2.gz HGFJTTKMXHHXPJ-QFIPXVFZSA-N 0 3 366.461 3.111 20 30 FGEDHN CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCC(=O)N(C)C1 ZINC000600178615 506824685 /nfs/dbraw/zinc/82/46/85/506824685.db2.gz MHSMBKPNGARQNF-FQEVSTJZSA-N 0 3 363.461 3.190 20 30 FGEDHN Cc1ccccc1CN(C[C@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000604501254 506853026 /nfs/dbraw/zinc/85/30/26/506853026.db2.gz MDXVPOGOSKMRCI-NRFANRHFSA-N 0 3 350.462 3.465 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000593973142 506860265 /nfs/dbraw/zinc/86/02/65/506860265.db2.gz LVYOQIJBLMYNPV-QGZVFWFLSA-N 0 3 367.468 3.466 20 30 FGEDHN C[C@@H](O)[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000597249346 506860504 /nfs/dbraw/zinc/86/05/04/506860504.db2.gz QMXGVCFHIZXBMV-UZLBHIALSA-N 0 3 361.449 3.070 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)CC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000597278750 506875740 /nfs/dbraw/zinc/87/57/40/506875740.db2.gz SEYMXHJPHJSXGQ-QUCCMNQESA-N 0 3 369.509 3.208 20 30 FGEDHN C=CCN(CCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431523 506880418 /nfs/dbraw/zinc/88/04/18/506880418.db2.gz BWDRRJJEMHPQLH-KRWDZBQOSA-N 0 3 374.448 3.162 20 30 FGEDHN CCC(C)(C)N1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000594021655 506888649 /nfs/dbraw/zinc/88/86/49/506888649.db2.gz YELBGVOGWUYDKT-AWEZNQCLSA-N 0 3 362.905 3.345 20 30 FGEDHN C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000609500677 506901219 /nfs/dbraw/zinc/90/12/19/506901219.db2.gz JVUKQOMWESXUMU-ROUUACIJSA-N 0 3 357.498 3.486 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]2COc2ccccc2)cc1 ZINC000590749767 506936310 /nfs/dbraw/zinc/93/63/10/506936310.db2.gz SJOXFMXMGNIFBI-VQTJNVASSA-N 0 3 366.461 3.036 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000590778715 506949547 /nfs/dbraw/zinc/94/95/47/506949547.db2.gz VEGLJGDSJHSLNW-APWZRJJASA-N 0 3 352.459 3.096 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCN2C2CCCC2)c1C#N ZINC000600473243 506962994 /nfs/dbraw/zinc/96/29/94/506962994.db2.gz UVPLTFSXXMUBAU-HNNXBMFYSA-N 0 3 370.522 3.299 20 30 FGEDHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000613213059 506975605 /nfs/dbraw/zinc/97/56/05/506975605.db2.gz NSJFHCFWJHGYBD-XGHQBKJUSA-N 0 3 362.477 3.439 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744347 506988057 /nfs/dbraw/zinc/98/80/57/506988057.db2.gz DHOIGAFPLNCCNJ-NRFANRHFSA-N 0 3 368.452 3.339 20 30 FGEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCCCC2)O1 ZINC000594204478 507005620 /nfs/dbraw/zinc/00/56/20/507005620.db2.gz QSXQVAWTIDXELY-QFBILLFUSA-N 0 3 351.450 3.191 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230354 507025677 /nfs/dbraw/zinc/02/56/77/507025677.db2.gz HVQKJFBXXKOBHS-VGSWGCGISA-N 0 3 374.488 3.494 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CCN1Cc1ccccc1 ZINC000594242967 507036758 /nfs/dbraw/zinc/03/67/58/507036758.db2.gz GXAZRVMQNJJRGN-KKSFZXQISA-N 0 3 360.461 3.246 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594283784 507061781 /nfs/dbraw/zinc/06/17/81/507061781.db2.gz SYVFBXNCVAYKHI-RTBURBONSA-N 0 3 372.469 3.309 20 30 FGEDHN CC(C)COc1ccccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600719737 507079830 /nfs/dbraw/zinc/07/98/30/507079830.db2.gz KHOFIXJGKSZKIG-IBGZPJMESA-N 0 3 354.450 3.123 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000600719050 507079887 /nfs/dbraw/zinc/07/98/87/507079887.db2.gz CJCZDEBDCKUSTJ-FQEVSTJZSA-N 0 3 373.460 3.079 20 30 FGEDHN COc1cccc(Oc2ncccc2CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000600722899 507081891 /nfs/dbraw/zinc/08/18/91/507081891.db2.gz JPTVNHUPVZSGGX-MRXNPFEDSA-N 0 3 353.422 3.027 20 30 FGEDHN COc1cc(CN(CCCO)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000610133021 507110734 /nfs/dbraw/zinc/11/07/34/507110734.db2.gz WNYVKBBEUADKNE-UHFFFAOYSA-N 0 3 366.461 3.493 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000594427499 507127394 /nfs/dbraw/zinc/12/73/94/507127394.db2.gz VAWMHFGNRNNAIE-KRWDZBQOSA-N 0 3 366.469 3.021 20 30 FGEDHN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594426805 507128063 /nfs/dbraw/zinc/12/80/63/507128063.db2.gz HEIMEXGSRXQNNN-YJBOKZPZSA-N 0 3 356.470 3.051 20 30 FGEDHN CCOc1cc(Br)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594433058 507131208 /nfs/dbraw/zinc/13/12/08/507131208.db2.gz KJIHEWDSIAGTQS-GFCCVEGCSA-N 0 3 354.248 3.198 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000594437847 507132483 /nfs/dbraw/zinc/13/24/83/507132483.db2.gz LAMJYHXNJUJOQB-CQSZACIVSA-N 0 3 366.918 3.243 20 30 FGEDHN Cc1ccc(C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c2ccccn2)cc1 ZINC000594436612 507133554 /nfs/dbraw/zinc/13/35/54/507133554.db2.gz DWRIESRWCNWULA-AZUAARDMSA-N 0 3 350.466 3.201 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000594443858 507134806 /nfs/dbraw/zinc/13/48/06/507134806.db2.gz VZFJQRBQWHNVHQ-HZPDHXFCSA-N 0 3 369.387 3.017 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000594444940 507137536 /nfs/dbraw/zinc/13/75/36/507137536.db2.gz GEJZIUFPTBHQOK-OAHLLOKOSA-N 0 3 353.388 3.264 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594450401 507138539 /nfs/dbraw/zinc/13/85/39/507138539.db2.gz KUKRMQSRPLHUBI-CQSZACIVSA-N 0 3 355.360 3.102 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000594495414 507154182 /nfs/dbraw/zinc/15/41/82/507154182.db2.gz RYMFPDIOUCNVPP-UHFFFAOYSA-N 0 3 357.479 3.149 20 30 FGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000594504632 507159583 /nfs/dbraw/zinc/15/95/83/507159583.db2.gz QCEARFGMSDDLAR-NRFANRHFSA-N 0 3 372.472 3.250 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000610322995 507194790 /nfs/dbraw/zinc/19/47/90/507194790.db2.gz COGHIDJSIMIEPD-SFHVURJKSA-N 0 3 364.449 3.305 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310810 507195655 /nfs/dbraw/zinc/19/56/55/507195655.db2.gz MYLIVHCGJBHOKY-UYAOXDASSA-N 0 3 361.449 3.031 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3cc(C#N)ccn3)sc2c1)C1CC1 ZINC000598027953 507224782 /nfs/dbraw/zinc/22/47/82/507224782.db2.gz LNWZOUKHXZDRME-UHFFFAOYSA-N 0 3 363.446 3.409 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000610433026 507237056 /nfs/dbraw/zinc/23/70/56/507237056.db2.gz PVGVSTWPZVFHOS-IBGZPJMESA-N 0 3 362.433 3.173 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451273 507244859 /nfs/dbraw/zinc/24/48/59/507244859.db2.gz MBUMWJXITNBMJK-DXIQSLLYSA-N 0 3 370.541 3.026 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000610451755 507245922 /nfs/dbraw/zinc/24/59/22/507245922.db2.gz HKTKDAITAQJKIQ-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN C=CC[C@H](CO)CNCc1cc(Cl)ccc1I ZINC000594934198 507319462 /nfs/dbraw/zinc/31/94/62/507319462.db2.gz FWCVIDUDCIJUCA-JTQLQIEISA-N 0 3 365.642 3.219 20 30 FGEDHN N#CC1(c2ccc(CN[C@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)CC1 ZINC000594935384 507321337 /nfs/dbraw/zinc/32/13/37/507321337.db2.gz ONLUCVHODJUBLR-INIZCTEOSA-N 0 3 367.399 3.415 20 30 FGEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000598239585 507337169 /nfs/dbraw/zinc/33/71/69/507337169.db2.gz VRFFWCYZMVXXQT-ZCNNSNEGSA-N 0 3 350.466 3.020 20 30 FGEDHN CNCc1ccccc1NC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000595236747 507434704 /nfs/dbraw/zinc/43/47/04/507434704.db2.gz MOGGLYUMNBWPLY-UHFFFAOYSA-N 0 3 364.449 3.105 20 30 FGEDHN CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)c2cc(Br)ccc21 ZINC000595259228 507442760 /nfs/dbraw/zinc/44/27/60/507442760.db2.gz ZNBCUOIGDDXQRD-AWEZNQCLSA-N 0 3 364.287 3.485 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@](C)(O)C2CC2)cc1OC ZINC000601773776 507454949 /nfs/dbraw/zinc/45/49/49/507454949.db2.gz OWRQXXVSUSBHJK-KRWDZBQOSA-N 0 3 370.287 3.273 20 30 FGEDHN N#CCCOCCN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000584733774 507474935 /nfs/dbraw/zinc/47/49/35/507474935.db2.gz SXPUEPPAXDVBFT-HNNXBMFYSA-N 0 3 360.845 3.500 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000598575255 507497055 /nfs/dbraw/zinc/49/70/55/507497055.db2.gz IBCPDQGXTLKHGN-QRWLVFNGSA-N 0 3 359.429 3.443 20 30 FGEDHN N#Cc1ccc(CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000595440661 507498324 /nfs/dbraw/zinc/49/83/24/507498324.db2.gz QGNPGHUECWNNAE-OAQYLSRUSA-N 0 3 362.477 3.237 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000595447470 507502239 /nfs/dbraw/zinc/50/22/39/507502239.db2.gz FNAVHFZLALBQSE-LJQANCHMSA-N 0 3 354.498 3.029 20 30 FGEDHN C[C@@H](O)[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000584783445 507503058 /nfs/dbraw/zinc/50/30/58/507503058.db2.gz FWKBJVWLNGDUAT-QVKFZJNVSA-N 0 3 353.441 3.378 20 30 FGEDHN COC(=O)c1ccc(NC2CCN(Cc3ccccc3C)CC2)c(C#N)n1 ZINC000584790236 507506172 /nfs/dbraw/zinc/50/61/72/507506172.db2.gz KIEXKRYLHIJVBJ-UHFFFAOYSA-N 0 3 364.449 3.125 20 30 FGEDHN CN(C[C@H](O)CC(C)(C)C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000598587018 507508771 /nfs/dbraw/zinc/50/87/71/507508771.db2.gz LRNWVYJGMDMNPK-RLCCDNCMSA-N 0 3 357.281 3.184 20 30 FGEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154113 507510618 /nfs/dbraw/zinc/51/06/18/507510618.db2.gz PJCVFHHAIKOIPD-IRLDBZIGSA-N 0 3 370.541 3.026 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000595479846 507521004 /nfs/dbraw/zinc/52/10/04/507521004.db2.gz NRYXASIPAUWGHB-DLBZAZTESA-N 0 3 360.527 3.295 20 30 FGEDHN C[C@](O)(C[C@H](O)CNCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000601964169 507531898 /nfs/dbraw/zinc/53/18/98/507531898.db2.gz HEJGPYSREFYQPK-UNMCSNQZSA-N 0 3 350.462 3.227 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(CCO)CCCC1 ZINC000595508763 507535625 /nfs/dbraw/zinc/53/56/25/507535625.db2.gz KVQKNPMHEABJSH-HNNXBMFYSA-N 0 3 361.511 3.304 20 30 FGEDHN CC(C)N1CCCC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000584846957 507538875 /nfs/dbraw/zinc/53/88/75/507538875.db2.gz OQUWOWPOQDNNQR-FQEVSTJZSA-N 0 3 355.482 3.191 20 30 FGEDHN CC(C)N1CCN(C2CCN(c3cc(C#N)nc4ccccc43)CC2)CC1 ZINC000611166151 507542195 /nfs/dbraw/zinc/54/21/95/507542195.db2.gz SECAELXXSGUCHN-UHFFFAOYSA-N 0 3 363.509 3.101 20 30 FGEDHN CCN1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C)C1 ZINC000595535420 507547272 /nfs/dbraw/zinc/54/72/72/507547272.db2.gz OGUMWQLZNJDYPM-MRXNPFEDSA-N 0 3 362.905 3.003 20 30 FGEDHN N#Cc1ccc(CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000595557399 507558972 /nfs/dbraw/zinc/55/89/72/507558972.db2.gz IEOYNNUCTLSJJL-GOTSBHOMSA-N 0 3 361.489 3.076 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595582069 507573892 /nfs/dbraw/zinc/57/38/92/507573892.db2.gz DXFHIBWLVAKXJU-WOJBJXKFSA-N 0 3 356.514 3.478 20 30 FGEDHN Cn1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000611253355 507582732 /nfs/dbraw/zinc/58/27/32/507582732.db2.gz RSMVJSAABPYDQS-UHFFFAOYSA-N 0 3 359.477 3.153 20 30 FGEDHN COc1ccc([C@H](CNc2cc(C#N)cc(C)n2)N2CCCCC2)cc1 ZINC000585702312 507598815 /nfs/dbraw/zinc/59/88/15/507598815.db2.gz CZJPMKGMGIEFRI-FQEVSTJZSA-N 0 3 350.466 3.331 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@]3(C2)CCCOC3)c1 ZINC000585756289 507617207 /nfs/dbraw/zinc/61/72/07/507617207.db2.gz RHTXCFXMESNGBJ-SIKLNZKXSA-N 0 3 369.509 3.441 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H](c3ccccc3)C3(CO)CC=CC3)n2c1 ZINC000592531105 507698232 /nfs/dbraw/zinc/69/82/32/507698232.db2.gz XPDMVIXULRSQLB-NRFANRHFSA-N 0 3 358.445 3.366 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000615056184 507735614 /nfs/dbraw/zinc/73/56/14/507735614.db2.gz MMBHGBMJOBLUBV-OAQYLSRUSA-N 0 3 362.477 3.270 20 30 FGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611555303 507737666 /nfs/dbraw/zinc/73/76/66/507737666.db2.gz WDUZVJUHIWYZRS-VNQPRFMTSA-N 0 3 356.388 3.155 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)N1CCCCCC1 ZINC000588023605 507738940 /nfs/dbraw/zinc/73/89/40/507738940.db2.gz GUKSSQXVVUQIGS-INIZCTEOSA-N 0 3 373.472 3.332 20 30 FGEDHN N#Cc1cccc(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000602551090 507746095 /nfs/dbraw/zinc/74/60/95/507746095.db2.gz LWYOBBANGRTDJB-SFHVURJKSA-N 0 3 360.383 3.336 20 30 FGEDHN C[N@@H+]1CCC[C@H](CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000830928501 600753969 /nfs/dbraw/zinc/75/39/69/600753969.db2.gz NQIKKOCWSUSXKD-NZSAHSFTSA-N 0 3 369.490 3.418 20 30 FGEDHN C[N@H+]1CCC[C@H](CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000830928501 600753972 /nfs/dbraw/zinc/75/39/72/600753972.db2.gz NQIKKOCWSUSXKD-NZSAHSFTSA-N 0 3 369.490 3.418 20 30 FGEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826381017 608544671 /nfs/dbraw/zinc/54/46/71/608544671.db2.gz VBJOEHNMWSNASJ-UHFFFAOYSA-N 0 3 358.449 3.360 20 30 FGEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826381017 608544673 /nfs/dbraw/zinc/54/46/73/608544673.db2.gz VBJOEHNMWSNASJ-UHFFFAOYSA-N 0 3 358.449 3.360 20 30 FGEDHN C=CCCCOC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000117994546 700606781 /nfs/dbraw/zinc/60/67/81/700606781.db2.gz ZOEZEBYGACNNDY-LBPRGKRZSA-N 0 3 352.228 3.311 20 30 FGEDHN C[C@@H](CSc1ccc(F)cc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000120391624 700653751 /nfs/dbraw/zinc/65/37/51/700653751.db2.gz NFAJUVMIPKRYGU-WFASDCNBSA-N 0 3 357.410 3.296 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNC[C@@H]1CSCCS1 ZINC000125230752 700732900 /nfs/dbraw/zinc/73/29/00/700732900.db2.gz ARUGPQLWAOJJLL-CQSZACIVSA-N 0 3 372.353 3.399 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cc(Cl)ccc1OC ZINC000125639567 700737950 /nfs/dbraw/zinc/73/79/50/700737950.db2.gz DTRWCUDANVUFFT-OAHLLOKOSA-N 0 3 350.846 3.296 20 30 FGEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126609963 700750496 /nfs/dbraw/zinc/75/04/96/700750496.db2.gz LEACZGOSBSXRIE-ZDUSSCGKSA-N 0 3 356.394 3.465 20 30 FGEDHN N#CC(C(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000127877839 700767748 /nfs/dbraw/zinc/76/77/48/700767748.db2.gz IVLUNRFAEYLGJB-HNNXBMFYSA-N 0 3 355.375 3.034 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc3oc(C(F)(F)F)nc32)CC1 ZINC000153533078 705003452 /nfs/dbraw/zinc/00/34/52/705003452.db2.gz OZCIZWPEQLOITB-UHFFFAOYSA-N 0 3 351.328 3.130 20 30 FGEDHN CC(C)(C)c1nc(CC(=O)C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000170672591 705356123 /nfs/dbraw/zinc/35/61/23/705356123.db2.gz CTOWLTJUIOQJHY-HNNXBMFYSA-N 0 3 355.463 3.008 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000171738865 705393368 /nfs/dbraw/zinc/39/33/68/705393368.db2.gz GQZMMHJIHBQMIZ-UHFFFAOYSA-N 0 3 365.861 3.273 20 30 FGEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000179977918 705722966 /nfs/dbraw/zinc/72/29/66/705722966.db2.gz CEMLWIJSUHPYAZ-INIZCTEOSA-N 0 3 357.797 3.483 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000193381889 712889004 /nfs/dbraw/zinc/88/90/04/712889004.db2.gz NVIGWUFKCQBUCR-AWEZNQCLSA-N 0 3 359.451 3.269 20 30 FGEDHN N#Cc1ccccc1/C=C\C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000255599243 713701272 /nfs/dbraw/zinc/70/12/72/713701272.db2.gz ORPHEDCVLPHQHP-FPLPWBNLSA-N 0 3 355.507 3.049 20 30 FGEDHN CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)C1 ZINC000328912092 713826738 /nfs/dbraw/zinc/82/67/38/713826738.db2.gz OSWSXABZQQKOSA-GJZGRUSLSA-N 0 3 361.511 3.202 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000651273333 718789278 /nfs/dbraw/zinc/78/92/78/718789278.db2.gz JTNROBKTCSEHAL-UHFFFAOYSA-N 0 3 363.433 3.469 20 30 FGEDHN C=CCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000665947612 720849407 /nfs/dbraw/zinc/84/94/07/720849407.db2.gz SXDPRMVLJRZBQY-UHFFFAOYSA-N 0 3 354.292 3.098 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C[C@H](O)C2CC2)cc1OC ZINC000685460862 722386125 /nfs/dbraw/zinc/38/61/25/722386125.db2.gz FSIXRKKQFXVRPY-HNNXBMFYSA-N 0 3 370.287 3.225 20 30 FGEDHN C#CC[C@@H](COC)NCc1cc(Br)cc(Br)c1 ZINC000716822612 722417086 /nfs/dbraw/zinc/41/70/86/722417086.db2.gz UXBVFUKAQIQGBR-ZDUSSCGKSA-N 0 3 361.077 3.340 20 30 FGEDHN CC(C)c1ccccc1N=C1SCCCN1C(=O)C(C)S(C)(=O)=O ZINC000733085523 722492293 /nfs/dbraw/zinc/49/22/93/722492293.db2.gz GELULSOACAFGMC-CYBMUJFWSA-N 0 3 368.524 3.196 20 30 FGEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(Cl)n1 ZINC000744093266 722573373 /nfs/dbraw/zinc/57/33/73/722573373.db2.gz KZWCSINNOMLHPJ-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000751153993 722796602 /nfs/dbraw/zinc/79/66/02/722796602.db2.gz SKFNOQSTPBGIGC-CYBMUJFWSA-N 0 3 353.293 3.386 20 30 FGEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)O1 ZINC000757307602 722975865 /nfs/dbraw/zinc/97/58/65/722975865.db2.gz WROUBYORLNRDOE-TYNCELHUSA-N 0 3 364.829 3.262 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000763236703 723324832 /nfs/dbraw/zinc/32/48/32/723324832.db2.gz SKZLNFFAJVPXIS-IRXDYDNUSA-N 0 3 373.250 3.468 20 30 FGEDHN CCCCCCCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764461413 723415328 /nfs/dbraw/zinc/41/53/28/723415328.db2.gz HAADLSREFFIPDP-OALUTQOASA-N 0 3 352.567 3.014 20 30 FGEDHN C[C@](O)(C1CCN(CCCOc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000767896106 723638456 /nfs/dbraw/zinc/63/84/56/723638456.db2.gz DTDUBODTDUUSPM-KRWDZBQOSA-N 0 3 356.388 3.352 20 30 FGEDHN C#CCNC(=O)CN[C@@](C)(CC(C)C)c1cccc(Br)c1 ZINC000796513193 723641134 /nfs/dbraw/zinc/64/11/34/723641134.db2.gz QLKUFBINXHMWDN-KRWDZBQOSA-N 0 3 351.288 3.049 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCN(CCc3cccs3)CC2)cc1 ZINC000768357385 723655176 /nfs/dbraw/zinc/65/51/76/723655176.db2.gz JDHTYEZSWOWLQN-QGZVFWFLSA-N 0 3 355.507 3.399 20 30 FGEDHN N#CC(C(=O)CCC(=O)c1ccc(Cl)cn1)c1nc2ccccc2[nH]1 ZINC000769280491 723681328 /nfs/dbraw/zinc/68/13/28/723681328.db2.gz NCYTWWVTJPPXKU-GFCCVEGCSA-N 0 3 352.781 3.451 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCC(=O)CC1 ZINC000773981171 723845196 /nfs/dbraw/zinc/84/51/96/723845196.db2.gz XLVPTNVICNMBFG-GFCCVEGCSA-N 0 3 353.205 3.400 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)CCO1 ZINC000776514525 724153910 /nfs/dbraw/zinc/15/39/10/724153910.db2.gz FBBIDTCRSPYJIA-JTNHKYCSSA-N 0 3 368.405 3.464 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)COC(C)(C)C ZINC000778298316 724319424 /nfs/dbraw/zinc/31/94/24/724319424.db2.gz PYKSIHGOAJCVGY-LLVKDONJSA-N 0 3 352.818 3.120 20 30 FGEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)NCc2cccc(C)c2)cs1 ZINC000786551928 724988492 /nfs/dbraw/zinc/98/84/92/724988492.db2.gz HVZPVVHTCUPOLE-QGZVFWFLSA-N 0 3 355.463 3.108 20 30 FGEDHN C=CCOCC(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000787054971 725015174 /nfs/dbraw/zinc/01/51/74/725015174.db2.gz YMRBJFVYGAWAFZ-GXFFZTMASA-N 0 3 355.221 3.082 20 30 FGEDHN Cc1nc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)sc1SCC#N ZINC000809611972 725252305 /nfs/dbraw/zinc/25/23/05/725252305.db2.gz RUYKIHAYUKJGSM-QWHCGFSZSA-N 0 3 373.459 3.310 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(F)c(Br)c1 ZINC000813059477 726834187 /nfs/dbraw/zinc/83/41/87/726834187.db2.gz AGSXFOVJMMLAPH-BXKDBHETSA-N 0 3 367.218 3.069 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000813060162 726834406 /nfs/dbraw/zinc/83/44/06/726834406.db2.gz RKXNOSXGOLVTFL-CMPLNLGQSA-N 0 3 369.234 3.315 20 30 FGEDHN Cc1cc(C)[nH]c(=NNC=C(CC(F)(F)F)NC(=O)OC(C)(C)C)n1 ZINC000814681551 726992712 /nfs/dbraw/zinc/99/27/12/726992712.db2.gz QXDZLRDBEDGMNQ-NSHDSACASA-N 0 3 361.368 3.337 20 30 FGEDHN C#CCNC(=O)CCN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000815113364 727039520 /nfs/dbraw/zinc/03/95/20/727039520.db2.gz YVQMVLALWUEWDR-UHFFFAOYSA-N 0 3 366.305 3.296 20 30 FGEDHN CCc1nocc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000815173771 727048227 /nfs/dbraw/zinc/04/82/27/727048227.db2.gz HKGYOGIRZXCIIV-CYBMUJFWSA-N 0 3 354.435 3.155 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](OC)C2)cc1Cl ZINC000815910153 727106713 /nfs/dbraw/zinc/10/67/13/727106713.db2.gz QPCWXCVNSXCMRC-FPMFFAJLSA-N 0 3 364.829 3.201 20 30 FGEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](CC)O1 ZINC000817280477 727236037 /nfs/dbraw/zinc/23/60/37/727236037.db2.gz HHXIVRSCTIDLBG-RBSFLKMASA-N 0 3 357.479 3.362 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1sc2ccccc2c1Br ZINC000818606363 727316501 /nfs/dbraw/zinc/31/65/01/727316501.db2.gz PAFMPLOVBDIYPV-UHFFFAOYSA-N 0 3 365.296 3.349 20 30 FGEDHN C#Cc1cccc(N(CC)C(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000825980094 729401458 /nfs/dbraw/zinc/40/14/58/729401458.db2.gz QUPQMOUAWMJUKR-JKSUJKDBSA-N 0 3 355.356 3.005 20 30 FGEDHN C#Cc1cccc(CNCc2c(Cl)cccc2N2CCN(C)CC2)c1 ZINC000830713430 729586686 /nfs/dbraw/zinc/58/66/86/729586686.db2.gz BDJBOBAUXBAZRP-UHFFFAOYSA-N 0 3 353.897 3.363 20 30 FGEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c(Br)c1 ZINC000835071528 729856311 /nfs/dbraw/zinc/85/63/11/729856311.db2.gz PYLSUPKITAQFOQ-CQSZACIVSA-N 0 3 363.255 3.068 20 30 FGEDHN CC[C@H](C)[C@H](NC(=O)OC)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000835145244 729862432 /nfs/dbraw/zinc/86/24/32/729862432.db2.gz OXFAXRQJGAMCIV-CHIMOYNISA-N 0 3 363.414 3.382 20 30 FGEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000842343751 730487786 /nfs/dbraw/zinc/48/77/86/730487786.db2.gz SSQXFCFLIJLBLW-IAGOWNOFSA-N 0 3 362.857 3.403 20 30 FGEDHN COCCN1[C@H](C)CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000843426314 730619502 /nfs/dbraw/zinc/61/95/02/730619502.db2.gz SAIJZQMPLMFZLM-OKILXGFUSA-N 0 3 355.404 3.118 20 30 FGEDHN CCn1ccc(CC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000845443301 730850233 /nfs/dbraw/zinc/85/02/33/730850233.db2.gz PHJGATZKLZCJHQ-AWEZNQCLSA-N 0 3 365.220 3.100 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1ccnc1 ZINC000845442564 730850314 /nfs/dbraw/zinc/85/03/14/730850314.db2.gz MREKNXAADJMQSN-PWSUYJOCSA-N 0 3 365.220 3.489 20 30 FGEDHN COCCCOCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000850758413 731385353 /nfs/dbraw/zinc/38/53/53/731385353.db2.gz FBQWTIQOBRZQEG-LBPRGKRZSA-N 0 3 373.236 3.084 20 30 FGEDHN CO[C@H](C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)C1CCCCC1 ZINC000850977459 731408447 /nfs/dbraw/zinc/40/84/47/731408447.db2.gz VHSAYYJAGXPLIS-WMZOPIPTSA-N 0 3 362.857 3.260 20 30 FGEDHN Cc1cc(C2(C(=O)C(C#N)c3nc(C(C)C)cs3)CCOCC2)on1 ZINC000860581456 732537443 /nfs/dbraw/zinc/53/74/43/732537443.db2.gz MUQZAROUKUDPHI-ZDUSSCGKSA-N 0 3 359.451 3.488 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CC=C(C(=O)OC)C2)cc1OC ZINC000862467648 732838496 /nfs/dbraw/zinc/83/84/96/732838496.db2.gz PLKMHYWFGOXMAO-CQSZACIVSA-N 0 3 351.830 3.265 20 30 FGEDHN C[C@@]1(C(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCC(=O)N1 ZINC000873498989 735770174 /nfs/dbraw/zinc/77/01/74/735770174.db2.gz WAEWPXZWPZXEGU-PXAZEXFGSA-N 0 3 359.838 3.308 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000876586240 736117180 /nfs/dbraw/zinc/11/71/80/736117180.db2.gz HCZRHYLXXIXUDL-GFCCVEGCSA-N 0 3 362.804 3.115 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000876646282 736126220 /nfs/dbraw/zinc/12/62/20/736126220.db2.gz SXQPFZSTWOEQOR-OAHLLOKOSA-N 0 3 352.862 3.103 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000876698919 736133446 /nfs/dbraw/zinc/13/34/46/736133446.db2.gz XJJHXMIRRCXQST-ZDUSSCGKSA-N 0 3 354.237 3.390 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000876757690 736140628 /nfs/dbraw/zinc/14/06/28/736140628.db2.gz FLRHHOACKKAUSG-MRXNPFEDSA-N 0 3 364.902 3.184 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnn(-c2cccc(Cl)c2)c1CC ZINC000876909716 736161338 /nfs/dbraw/zinc/16/13/38/736161338.db2.gz GDJLMHHQWGOKBT-CYBMUJFWSA-N 0 3 353.253 3.497 20 30 FGEDHN C[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCN1C(=O)OC(C)(C)C ZINC000877483141 736226306 /nfs/dbraw/zinc/22/63/06/736226306.db2.gz KILYSXHGZDWOCC-SWLSCSKDSA-N 0 3 364.877 3.484 20 30 FGEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884055317 737629313 /nfs/dbraw/zinc/62/93/13/737629313.db2.gz JEHROHURERELOK-GDDYJNFWSA-N 0 3 351.372 3.022 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(CCC(F)(F)F)c1)C2 ZINC000884170657 737639854 /nfs/dbraw/zinc/63/98/54/737639854.db2.gz BENHDASIIUAXBJ-UUCFBXCCSA-N 0 3 351.372 3.259 20 30 FGEDHN C=CCC1(O)CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000886758008 739293267 /nfs/dbraw/zinc/29/32/67/739293267.db2.gz XUKLLHZKRKRYSI-AWEZNQCLSA-N 0 3 360.281 3.136 20 30 FGEDHN CN(C)C[C@H](NC(=O)Nc1nc(Cl)c(C#N)s1)c1ccc(F)cc1 ZINC000888422027 739520992 /nfs/dbraw/zinc/52/09/92/739520992.db2.gz DBQHPPPGCXSDMF-NSHDSACASA-N 0 3 367.837 3.232 20 30 FGEDHN C#CCSCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000892485105 740005458 /nfs/dbraw/zinc/00/54/58/740005458.db2.gz UXHMUBXWMSHPTC-GFCCVEGCSA-N 0 3 354.403 3.015 20 30 FGEDHN CCCCc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000892550821 740016184 /nfs/dbraw/zinc/01/61/84/740016184.db2.gz UXJQABVQCMVWNJ-CYBMUJFWSA-N 0 3 356.451 3.079 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CC23CC(O)C3)cc1OC ZINC000897855195 742719364 /nfs/dbraw/zinc/71/93/64/742719364.db2.gz WCIVCDMIPNXKQF-YAJUMTOWSA-N 0 3 368.271 3.026 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2c[nH]c3ccc(Br)cc23)CC1 ZINC000899239680 742896257 /nfs/dbraw/zinc/89/62/57/742896257.db2.gz MWMHTDTZNYXVJU-UHFFFAOYSA-N 0 3 360.255 3.214 20 30 FGEDHN CC1/C(=C/c2cc(Cl)ccc2OC[C@@H]2CCCO2)C(=O)c2ncnn21 ZINC000905087686 743992421 /nfs/dbraw/zinc/99/24/21/743992421.db2.gz YQCSKQWNULRVGT-PVNRZXLWSA-N 0 3 359.813 3.330 20 30 FGEDHN COc1cc(C=NNC(=N)N)ccc1OCc1ccc(Cl)cc1Cl ZINC000915050699 757870789 /nfs/dbraw/zinc/87/07/89/757870789.db2.gz FRVQYWDAQQEMLM-UHFFFAOYSA-N 0 3 367.236 3.398 20 30 FGEDHN C[C@@H]1c2cccn2CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917060744 758173320 /nfs/dbraw/zinc/17/33/20/758173320.db2.gz DUGAMCGKNCYFMO-KGLIPLIRSA-N 0 3 350.447 3.351 20 30 FGEDHN CC(C)(CNCc1cc(C#N)ccc1Br)C(=O)N1CCCC1 ZINC000922295087 758887023 /nfs/dbraw/zinc/88/70/23/758887023.db2.gz WQQZHALLEYDGJH-UHFFFAOYSA-N 0 3 364.287 3.059 20 30 FGEDHN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNCc1csc(C#N)c1)O2 ZINC000922794575 759005915 /nfs/dbraw/zinc/00/59/15/759005915.db2.gz NXNBDHFVCFYZGY-HVEKOLDVSA-N 0 3 362.495 3.379 20 30 FGEDHN CN(C)C[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)c1ccc(Cl)cc1 ZINC000932900757 761267775 /nfs/dbraw/zinc/26/77/75/761267775.db2.gz CQODCPNQAJFACZ-QWHCGFSZSA-N 0 3 362.783 3.086 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cnn(CC2CCC2)c1 ZINC000934555048 761657680 /nfs/dbraw/zinc/65/76/80/761657680.db2.gz XGHCLOIBLMYLOR-ZDUSSCGKSA-N 0 3 357.483 3.296 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1sccc1Cl ZINC000960135979 762732677 /nfs/dbraw/zinc/73/26/77/762732677.db2.gz ONXMVZTURMVWDU-LZWOXQAQSA-N 0 3 368.930 3.463 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)Cc1cc(C)sc1C ZINC000960884952 762741513 /nfs/dbraw/zinc/74/15/13/762741513.db2.gz SXURHTPGDXFDAF-OTWHNJEPSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC000961413598 762748448 /nfs/dbraw/zinc/74/84/48/762748448.db2.gz FERAKSLAEXPGRN-MKXGPGLRSA-N 0 3 366.933 3.257 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNCc2cc(F)ccc2Cl)C1 ZINC000962321112 762759827 /nfs/dbraw/zinc/75/98/27/762759827.db2.gz HXPOQFXFIYYCKX-RVOIXBIKSA-N 0 3 366.864 3.055 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC000970239208 762874422 /nfs/dbraw/zinc/87/44/22/762874422.db2.gz JHPVEPXXKIBNGC-INWMFGNUSA-N 0 3 354.903 3.073 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2cc(F)ccc2Cl)C1 ZINC000984825874 763806827 /nfs/dbraw/zinc/80/68/27/763806827.db2.gz HXPOQFXFIYYCKX-YMCQQKJTSA-N 0 3 366.864 3.055 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)Cc2ccc(Cl)s2)CC1 ZINC000985658512 763975600 /nfs/dbraw/zinc/97/56/00/763975600.db2.gz UITQMGZABSEIPQ-CVEARBPZSA-N 0 3 368.930 3.415 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC000990734989 764559911 /nfs/dbraw/zinc/55/99/11/764559911.db2.gz BOJMPXSDLZVYCI-DLTWYDFYSA-N 0 3 360.420 3.033 20 30 FGEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000996834075 765031508 /nfs/dbraw/zinc/03/15/08/765031508.db2.gz LJKJYCWOCJJDIS-CWRNSKLLSA-N 0 3 355.320 3.302 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC(NCc2ccccc2Cl)C1 ZINC000999539609 765170275 /nfs/dbraw/zinc/17/02/75/765170275.db2.gz NTYXOKMKRHPCGZ-AKSNENBUSA-N 0 3 362.901 3.400 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCc2c(C)cccc2Cl)C1 ZINC001000242016 765209202 /nfs/dbraw/zinc/20/92/02/765209202.db2.gz PXXQDDPZRVNNRT-FCEWJHQRSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC001000428453 765226440 /nfs/dbraw/zinc/22/64/40/765226440.db2.gz SXROBBNENKVOJL-ZQIUZPCESA-N 0 3 368.930 3.463 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001020167968 765865728 /nfs/dbraw/zinc/86/57/28/765865728.db2.gz OXBAXQADVJDXMW-KONPQCLYSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1cc(C)sc1C ZINC001028194944 766119617 /nfs/dbraw/zinc/11/96/17/766119617.db2.gz GZWSRRLMWDUUKA-QYZOEREBSA-N 0 3 362.539 3.427 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001028861658 766140399 /nfs/dbraw/zinc/14/03/99/766140399.db2.gz YQUMFQLPOIYOOW-AYBZRNKSSA-N 0 3 362.901 3.259 20 30 FGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)CC2 ZINC001035812174 766267157 /nfs/dbraw/zinc/26/71/57/766267157.db2.gz IQEMEQMWXZOFGL-RBUKOAKNSA-N 0 3 356.897 3.391 20 30 FGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC001041729275 766338666 /nfs/dbraw/zinc/33/86/66/766338666.db2.gz DHOFOIMUOOKBPU-ZVDOUQERSA-N 0 3 356.897 3.391 20 30 FGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001049551479 766793458 /nfs/dbraw/zinc/79/34/58/766793458.db2.gz GPSNKXBLUMCMAL-YYIAUSFCSA-N 0 3 356.432 3.444 20 30 FGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)CC1 ZINC001050565488 766847385 /nfs/dbraw/zinc/84/73/85/766847385.db2.gz ZROOYAFYPGGVIC-HZPDHXFCSA-N 0 3 354.416 3.079 20 30 FGEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1 ZINC001052389846 766897107 /nfs/dbraw/zinc/89/71/07/766897107.db2.gz ZRYXAJQXWCFYFO-YOTSKQKMSA-N 0 3 356.432 3.205 20 30 FGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)C2 ZINC001054154176 766998853 /nfs/dbraw/zinc/99/88/53/766998853.db2.gz QXMSJZTZDFMPKH-JFIYKMOQSA-N 0 3 354.416 3.079 20 30 FGEDHN N#CCc1ccccc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000570815314 505587119 /nfs/dbraw/zinc/58/71/19/505587119.db2.gz WLMWVIQAIXVHEU-UHFFFAOYSA-N 0 3 363.461 3.209 20 30 FGEDHN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@H](N)CCCC#N ZINC000602562517 507749623 /nfs/dbraw/zinc/74/96/23/507749623.db2.gz TUPRIHHLYWTPPN-XPKDYRNWSA-N 0 3 364.287 3.175 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000577173625 505679503 /nfs/dbraw/zinc/67/95/03/505679503.db2.gz VBOBCRKQUSTPSH-HXUWFJFHSA-N 0 3 356.466 3.227 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000080867294 493786420 /nfs/dbraw/zinc/78/64/20/493786420.db2.gz NENLVPIPKUKDFB-FCHUYYIVSA-N 0 3 359.473 3.443 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000075862386 493786795 /nfs/dbraw/zinc/78/67/95/493786795.db2.gz DJWJGIQYSIDPDO-INIZCTEOSA-N 0 3 353.388 3.181 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029178158 493822854 /nfs/dbraw/zinc/82/28/54/493822854.db2.gz CIZULFXZOYDXAB-UTKZUKDTSA-N 0 3 363.461 3.279 20 30 FGEDHN C[C@H](CN1CCCC1=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000048780112 493845720 /nfs/dbraw/zinc/84/57/20/493845720.db2.gz HUJUDBYRFNWKRJ-QGZVFWFLSA-N 0 3 363.461 3.238 20 30 FGEDHN Cc1cccc(CN2CCC(NC(=O)NCc3ccc(C#N)cc3)CC2)c1 ZINC000048800080 493846938 /nfs/dbraw/zinc/84/69/38/493846938.db2.gz OTMQKJWYCLSYRY-UHFFFAOYSA-N 0 3 362.477 3.331 20 30 FGEDHN CO[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000076345603 493871228 /nfs/dbraw/zinc/87/12/28/493871228.db2.gz JANUEPDQDPWVKV-KBPBESRZSA-N 0 3 361.511 3.184 20 30 FGEDHN Cc1ccccc1CN1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000050030767 493892983 /nfs/dbraw/zinc/89/29/83/493892983.db2.gz SBKILOZOBXHXFW-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN COc1ccc(OC)c(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068991616 493903428 /nfs/dbraw/zinc/90/34/28/493903428.db2.gz HILIXFXBTCZRAV-QGZVFWFLSA-N 0 3 369.440 3.473 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069299510 493953129 /nfs/dbraw/zinc/95/31/29/493953129.db2.gz XJBWDBDOUVNPAQ-IRXDYDNUSA-N 0 3 370.497 3.220 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000069359672 493963548 /nfs/dbraw/zinc/96/35/48/493963548.db2.gz DPGRJOBRXMNDOK-KRWDZBQOSA-N 0 3 357.498 3.138 20 30 FGEDHN Cc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000051502351 493973965 /nfs/dbraw/zinc/97/39/65/493973965.db2.gz KAHBUMANTYLENX-UHFFFAOYSA-N 0 3 350.422 3.487 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(C)c1)C(C)C ZINC000062205167 494005523 /nfs/dbraw/zinc/00/55/23/494005523.db2.gz WEBMDJLSFWGBKY-LJQANCHMSA-N 0 3 357.498 3.057 20 30 FGEDHN COc1ccc(CNC[C@@H](O)c2ccc(F)cc2)cc1OCCCC#N ZINC000064613841 494138421 /nfs/dbraw/zinc/13/84/21/494138421.db2.gz UAUMUYNQCDFCLP-GOSISDBHSA-N 0 3 358.413 3.340 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000053992859 494182334 /nfs/dbraw/zinc/18/23/34/494182334.db2.gz BYDVIANHSTUAOP-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)N(C)C)cc1 ZINC000065469654 494201274 /nfs/dbraw/zinc/20/12/74/494201274.db2.gz ONYNXAGGKVTGFA-FQEVSTJZSA-N 0 3 350.466 3.311 20 30 FGEDHN C=CCc1ccc(OCC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c(OC)c1 ZINC000065674630 494223841 /nfs/dbraw/zinc/22/38/41/494223841.db2.gz SPLHKNSYJYPPAP-SJORKVTESA-N 0 3 360.498 3.039 20 30 FGEDHN Cc1cccc(O[C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930104 494257196 /nfs/dbraw/zinc/25/71/96/494257196.db2.gz YWJWPTCPVHRLAJ-GOSISDBHSA-N 0 3 365.477 3.224 20 30 FGEDHN C=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)CCc1ccccc1 ZINC000065959713 494262843 /nfs/dbraw/zinc/26/28/43/494262843.db2.gz MOLBAHBDSLUAMT-UHFFFAOYSA-N 0 3 352.434 3.475 20 30 FGEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043306178 494285191 /nfs/dbraw/zinc/28/51/91/494285191.db2.gz BERDUUVHKVWEFS-GOSISDBHSA-N 0 3 364.493 3.435 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000055027488 494292508 /nfs/dbraw/zinc/29/25/08/494292508.db2.gz HOQBCLYHEASGLW-UHFFFAOYSA-N 0 3 370.497 3.033 20 30 FGEDHN N#CCCC1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000568506151 505711496 /nfs/dbraw/zinc/71/14/96/505711496.db2.gz OIWHTKSCNZWQSN-HNNXBMFYSA-N 0 3 356.388 3.461 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C ZINC000043652699 494310172 /nfs/dbraw/zinc/31/01/72/494310172.db2.gz RMOBPJRJAPWBEQ-LJQANCHMSA-N 0 3 358.486 3.465 20 30 FGEDHN N#Cc1cnc2ccccc2c1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089643963 494338427 /nfs/dbraw/zinc/33/84/27/494338427.db2.gz VNYNMIPQYUQOHW-MOPGFXCFSA-N 0 3 358.445 3.154 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000074289028 494510934 /nfs/dbraw/zinc/51/09/34/494510934.db2.gz PFTNIWJFKSXWFL-QGZVFWFLSA-N 0 3 364.367 3.449 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000046529388 494536645 /nfs/dbraw/zinc/53/66/45/494536645.db2.gz QDIAHVHAMOSKFS-UHFFFAOYSA-N 0 3 352.394 3.236 20 30 FGEDHN C[C@@H]1CN(CC2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@@H](C)O1 ZINC000091478511 494607368 /nfs/dbraw/zinc/60/73/68/494607368.db2.gz KXEPCJIQQHGCRD-IAGOWNOFSA-N 0 3 364.493 3.432 20 30 FGEDHN C=CCCC[C@H](C)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000091513924 494612858 /nfs/dbraw/zinc/61/28/58/494612858.db2.gz XEZZWPARTWQCSS-HNNXBMFYSA-N 0 3 354.491 3.313 20 30 FGEDHN Cc1ccc(C)c(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010876 494616342 /nfs/dbraw/zinc/61/63/42/494616342.db2.gz HMEDXPZSPPVIDW-UHFFFAOYSA-N 0 3 365.477 3.144 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OC(F)F)c1 ZINC000047010749 494617102 /nfs/dbraw/zinc/61/71/02/494617102.db2.gz LCRBBZZWWTYVLJ-UHFFFAOYSA-N 0 3 373.403 3.364 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(F)cc1 ZINC000047011754 494617592 /nfs/dbraw/zinc/61/75/92/494617592.db2.gz VECKRTLOGZFTQO-UHFFFAOYSA-N 0 3 369.440 3.057 20 30 FGEDHN C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(CC)CC1 ZINC000571450571 505735621 /nfs/dbraw/zinc/73/56/21/505735621.db2.gz RVHOHAYURYQTKF-INIZCTEOSA-N 0 3 373.476 3.275 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000121251241 494666695 /nfs/dbraw/zinc/66/66/95/494666695.db2.gz GHNHMDLZIMQABR-UHFFFAOYSA-N 0 3 356.388 3.284 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000116066648 494692192 /nfs/dbraw/zinc/69/21/92/494692192.db2.gz QJDMQMVXCHJANX-QGZVFWFLSA-N 0 3 363.461 3.279 20 30 FGEDHN CC[N-]C(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1cccc(C)c1 ZINC000067952233 494706870 /nfs/dbraw/zinc/70/68/70/494706870.db2.gz FHECDXFRSDPOIP-UHFFFAOYSA-O 0 3 372.514 3.232 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025227528 494712268 /nfs/dbraw/zinc/71/22/68/494712268.db2.gz XXUCBNARJZSVPT-DENIHFKCSA-N 0 3 366.461 3.338 20 30 FGEDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092706170 494718110 /nfs/dbraw/zinc/71/81/10/494718110.db2.gz ADQAGRIUCOOVRC-LJQANCHMSA-N 0 3 357.498 3.353 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H](CNC(=O)CCC)C2)cc(OC)c1O ZINC000092707634 494721159 /nfs/dbraw/zinc/72/11/59/494721159.db2.gz JQQKGCGPCYILDB-INIZCTEOSA-N 0 3 360.498 3.258 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H](C(=O)NCCCC)C2)cc(OC)c1O ZINC000092710253 494724684 /nfs/dbraw/zinc/72/46/84/494724684.db2.gz OSMJGBRFLQWSNA-GOSISDBHSA-N 0 3 360.498 3.258 20 30 FGEDHN Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000121410818 494743599 /nfs/dbraw/zinc/74/35/99/494743599.db2.gz DLTPDAOCCAKSJD-LPHOPBHVSA-N 0 3 371.506 3.267 20 30 FGEDHN Cc1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)ccc1-n1cncn1 ZINC000092034223 494762408 /nfs/dbraw/zinc/76/24/08/494762408.db2.gz CGQSRFOQSQSHNL-UHFFFAOYSA-N 0 3 373.460 3.491 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(C#N)c1 ZINC000026329381 494818888 /nfs/dbraw/zinc/81/88/88/494818888.db2.gz UYUJHGJFEVYGIY-UHFFFAOYSA-N 0 3 364.474 3.441 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccn(CCN(C)C)n1 ZINC000568647588 505744668 /nfs/dbraw/zinc/74/46/68/505744668.db2.gz TWXCWDWSSNIYHO-CQSZACIVSA-N 0 3 357.483 3.091 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)cc2)CC1 ZINC000116804695 494855329 /nfs/dbraw/zinc/85/53/29/494855329.db2.gz MOJMATLFAAZENJ-XMSQKQJNSA-N 0 3 368.525 3.419 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000109537167 494886477 /nfs/dbraw/zinc/88/64/77/494886477.db2.gz FJYICTCSRVDQDR-NRFANRHFSA-N 0 3 362.477 3.232 20 30 FGEDHN Cc1cccnc1[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)C(C)C ZINC000121925595 494892205 /nfs/dbraw/zinc/89/22/05/494892205.db2.gz NXYZRBQZJPPTHM-AZUAARDMSA-N 0 3 353.466 3.183 20 30 FGEDHN Cn1ccnc1[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000127673162 494979613 /nfs/dbraw/zinc/97/96/13/494979613.db2.gz ADGZGCNBYYNVFZ-VQIMIIECSA-N 0 3 353.445 3.141 20 30 FGEDHN CC(=O)Nc1ccccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122836862 495038085 /nfs/dbraw/zinc/03/80/85/495038085.db2.gz GBFBIOQMQIXJNG-UHFFFAOYSA-N 0 3 362.477 3.225 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC000098024831 495047273 /nfs/dbraw/zinc/04/72/73/495047273.db2.gz GQSVGWIVVXHNPS-UHFFFAOYSA-N 0 3 370.497 3.108 20 30 FGEDHN N#Cc1ccc2ncc(CNC[C@@H](c3cccs3)N3CCCC3)n2c1 ZINC000123136648 495086417 /nfs/dbraw/zinc/08/64/17/495086417.db2.gz VQQWVOQCTOLWLG-KRWDZBQOSA-N 0 3 351.479 3.194 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(-c2ccccn2)c1C)C(C)C ZINC000101684504 495091398 /nfs/dbraw/zinc/09/13/98/495091398.db2.gz LINFWYPURLRBAQ-IBGZPJMESA-N 0 3 367.497 3.004 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2ccco2)C1)C(C)C ZINC000128828484 495156276 /nfs/dbraw/zinc/15/62/76/495156276.db2.gz SRDQLOSEHOKTHG-IEBWSBKVSA-N 0 3 361.486 3.061 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1)CC(F)(F)F ZINC000135121347 495253521 /nfs/dbraw/zinc/25/35/21/495253521.db2.gz BRIFRCSTIBXGPN-HNNXBMFYSA-N 0 3 355.404 3.273 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000129683192 495280284 /nfs/dbraw/zinc/28/02/84/495280284.db2.gz JJHFFJARUBEHOD-UHFFFAOYSA-N 0 3 374.492 3.015 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104715957 495300576 /nfs/dbraw/zinc/30/05/76/495300576.db2.gz HNEPOADVRVAZRN-UHFFFAOYSA-N 0 3 374.444 3.302 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000113505766 495307397 /nfs/dbraw/zinc/30/73/97/495307397.db2.gz YJGFYJWNLVNCKL-OAQYLSRUSA-N 0 3 366.461 3.110 20 30 FGEDHN CN(CCc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000113518090 495308783 /nfs/dbraw/zinc/30/87/83/495308783.db2.gz ZHEQAXDZEMCAMG-LJQANCHMSA-N 0 3 358.869 3.320 20 30 FGEDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(OCC#N)cc1 ZINC000105487564 495365183 /nfs/dbraw/zinc/36/51/83/495365183.db2.gz JIHJMBDAGHZHGU-KRWDZBQOSA-N 0 3 351.450 3.276 20 30 FGEDHN CCN(C(=O)c1ccnc(OCCN(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000136612605 495390487 /nfs/dbraw/zinc/39/04/87/495390487.db2.gz IHXFRNDHCIFXAA-INIZCTEOSA-N 0 3 366.465 3.117 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2cnnc2)cc1)c1nc(-c2ccncc2)cs1 ZINC000114621211 495400711 /nfs/dbraw/zinc/40/07/11/495400711.db2.gz VDQXZNAVYCJCBY-MRXNPFEDSA-N 0 3 372.413 3.276 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3[nH]c(C(=O)OCC)cc3c2)CC1 ZINC000106036835 495405697 /nfs/dbraw/zinc/40/56/97/495405697.db2.gz FOTZHFBFTPLRHP-UHFFFAOYSA-N 0 3 369.465 3.115 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114676526 495407884 /nfs/dbraw/zinc/40/78/84/495407884.db2.gz YDVQUCJWANVOCH-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)CC1 ZINC000106319016 495443989 /nfs/dbraw/zinc/44/39/89/495443989.db2.gz LONIJFVMXJXLCA-UHFFFAOYSA-N 0 3 372.513 3.377 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000120920616 495485757 /nfs/dbraw/zinc/48/57/57/495485757.db2.gz DVNIDXOYSQUZCI-UHFFFAOYSA-N 0 3 374.492 3.459 20 30 FGEDHN Cc1nc(SCC(=O)N[C@@H]2CCN(C3CCCC3)C2)c(C#N)c(C)c1C ZINC000106789741 495496207 /nfs/dbraw/zinc/49/62/07/495496207.db2.gz IJNDQADAVXDIDK-MRXNPFEDSA-N 0 3 372.538 3.104 20 30 FGEDHN CC[C@@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCCO1 ZINC000182378821 495539258 /nfs/dbraw/zinc/53/92/58/495539258.db2.gz AKQKJHGQPSKBMR-QZTJIDSGSA-N 0 3 363.889 3.442 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCCN(Cc4ccccc4)CC3)o2)cc1 ZINC000173484998 495552968 /nfs/dbraw/zinc/55/29/68/495552968.db2.gz HGYKGBLQOIFSCE-UHFFFAOYSA-N 0 3 373.460 3.316 20 30 FGEDHN C=CCSCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000148956955 495589742 /nfs/dbraw/zinc/58/97/42/495589742.db2.gz LNIMUNRWRIKJHA-HNNXBMFYSA-N 0 3 353.557 3.179 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000568850215 505792987 /nfs/dbraw/zinc/79/29/87/505792987.db2.gz JMIOZSSZHAWQKB-ZINXYGQCSA-N 0 3 359.473 3.441 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000150928914 495685200 /nfs/dbraw/zinc/68/52/00/495685200.db2.gz YOBZXPFIAVAOHW-SFTDATJTSA-N 0 3 371.525 3.464 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000150968134 495696577 /nfs/dbraw/zinc/69/65/77/495696577.db2.gz KMOOIJVVUDINSO-UHFFFAOYSA-N 0 3 364.449 3.367 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cncc(-c3ccc(OC)cc3)c2)CC1 ZINC000176574754 495705788 /nfs/dbraw/zinc/70/57/88/495705788.db2.gz NRUBHVLGPAUOKL-UHFFFAOYSA-N 0 3 351.450 3.137 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185764059 495716630 /nfs/dbraw/zinc/71/66/30/495716630.db2.gz CUCBFLOCLQWUTE-XYJFISCASA-N 0 3 363.527 3.450 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC2(Cc3ccccc3)CCCC2)c1 ZINC000185833173 495743326 /nfs/dbraw/zinc/74/33/26/495743326.db2.gz KSVMBIQBFQHVSE-UHFFFAOYSA-N 0 3 368.502 3.477 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)n1 ZINC000574569507 505805029 /nfs/dbraw/zinc/80/50/29/505805029.db2.gz TZBWFNDCPQJMFK-GOSISDBHSA-N 0 3 363.465 3.329 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183065744 495819830 /nfs/dbraw/zinc/81/98/30/495819830.db2.gz QMFQXPBPCFGECL-UHFFFAOYSA-N 0 3 372.472 3.317 20 30 FGEDHN COc1ccc([C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000176883881 495825268 /nfs/dbraw/zinc/82/52/68/495825268.db2.gz IYDXWJDXQAQWMN-HXUWFJFHSA-N 0 3 372.490 3.327 20 30 FGEDHN C[C@H](ON=C(N)c1cccc(CN2CCCCC2)c1)c1nc(C2CC2)no1 ZINC000174128412 495829626 /nfs/dbraw/zinc/82/96/26/495829626.db2.gz ICOISQQKIUIBAA-AWEZNQCLSA-N 0 3 369.469 3.331 20 30 FGEDHN CCCC[C@@H](NCCOc1ccc(C#N)cc1)C(=O)Nc1cc(C)on1 ZINC000174211342 495865373 /nfs/dbraw/zinc/86/53/73/495865373.db2.gz XMCWAOOJWBBULJ-QGZVFWFLSA-N 0 3 356.426 3.021 20 30 FGEDHN CC(C)c1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000171434468 495872020 /nfs/dbraw/zinc/87/20/20/495872020.db2.gz GBWVRZRTRCEBLB-UHFFFAOYSA-N 0 3 356.495 3.342 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000568928889 505810078 /nfs/dbraw/zinc/81/00/78/505810078.db2.gz JLELOZOTHYWHHY-OAHLLOKOSA-N 0 3 352.438 3.209 20 30 FGEDHN Cc1nc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)ccc1C#N ZINC000577882079 505811159 /nfs/dbraw/zinc/81/11/59/505811159.db2.gz LZDLZBSWMYGYCG-HXUWFJFHSA-N 0 3 366.465 3.082 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000580679878 505812025 /nfs/dbraw/zinc/81/20/25/505812025.db2.gz UEOJFJWJPCOJJI-XLIONFOSSA-N 0 3 356.510 3.483 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000171560897 495928127 /nfs/dbraw/zinc/92/81/27/495928127.db2.gz PCQOCTGFSLGKEQ-UHFFFAOYSA-N 0 3 371.525 3.418 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151917568 495991866 /nfs/dbraw/zinc/99/18/66/495991866.db2.gz JQEQJNYBKMBDFI-MSOLQXFVSA-N 0 3 353.422 3.068 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000171712272 496001147 /nfs/dbraw/zinc/00/11/47/496001147.db2.gz MVWZFCDVMOTPSI-HNNXBMFYSA-N 0 3 361.486 3.023 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000171733894 496012459 /nfs/dbraw/zinc/01/24/59/496012459.db2.gz LZOOLANSXDXUTB-FQEVSTJZSA-N 0 3 350.466 3.121 20 30 FGEDHN Cn1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cc21 ZINC000183503935 496013229 /nfs/dbraw/zinc/01/32/29/496013229.db2.gz PFSNBEPDWDIGFC-NSHDSACASA-N 0 3 366.331 3.203 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)CC1 ZINC000171738979 496014509 /nfs/dbraw/zinc/01/45/09/496014509.db2.gz CWRXMXJTAKVANI-UHFFFAOYSA-N 0 3 356.470 3.115 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000177346882 496027170 /nfs/dbraw/zinc/02/71/70/496027170.db2.gz SLWBIQIRYRHJCC-UHFFFAOYSA-N 0 3 367.497 3.355 20 30 FGEDHN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(C)CC1 ZINC000174612759 496032715 /nfs/dbraw/zinc/03/27/15/496032715.db2.gz UPWIEXCEBBXRBE-UHFFFAOYSA-N 0 3 350.422 3.334 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000174652336 496047190 /nfs/dbraw/zinc/04/71/90/496047190.db2.gz RBZHFKZPEKCAOO-VWNXMTODSA-N 0 3 373.500 3.353 20 30 FGEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000183652348 496062938 /nfs/dbraw/zinc/06/29/38/496062938.db2.gz ZIVBPAWSQHDYKS-FQEVSTJZSA-N 0 3 374.481 3.328 20 30 FGEDHN N#CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000171858426 496065495 /nfs/dbraw/zinc/06/54/95/496065495.db2.gz WUJQCLXFJDHJDV-UHFFFAOYSA-N 0 3 362.477 3.146 20 30 FGEDHN CC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000180644375 496084722 /nfs/dbraw/zinc/08/47/22/496084722.db2.gz BREYUJNISVZOCI-SFHVURJKSA-N 0 3 365.433 3.399 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(N3CC=CC3)CC2)c1 ZINC000155893404 496098423 /nfs/dbraw/zinc/09/84/23/496098423.db2.gz CHSBWTYLKASLPQ-UHFFFAOYSA-N 0 3 362.380 3.028 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000155915428 496105986 /nfs/dbraw/zinc/10/59/86/496105986.db2.gz LUUDUORUZZWWNB-QZTJIDSGSA-N 0 3 371.525 3.278 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC000172150955 496185046 /nfs/dbraw/zinc/18/50/46/496185046.db2.gz MZYDARAMOKNDDG-UHFFFAOYSA-N 0 3 361.461 3.029 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)[N-]C(C)(C)C)cc1 ZINC000186963965 496230849 /nfs/dbraw/zinc/23/08/49/496230849.db2.gz MXRQOSVRRCWEGK-UHFFFAOYSA-O 0 3 360.503 3.468 20 30 FGEDHN N#CCCn1cc(CN[C@@H](CO)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000152727663 496238453 /nfs/dbraw/zinc/23/84/53/496238453.db2.gz TYNBDACUXFBXLP-OAQYLSRUSA-N 0 3 360.461 3.157 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000156470706 496254609 /nfs/dbraw/zinc/25/46/09/496254609.db2.gz PJERBUIWDSBFQF-GOSISDBHSA-N 0 3 361.449 3.249 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H](CCO)C(C)C)c1C#N ZINC000162043550 496285781 /nfs/dbraw/zinc/28/57/81/496285781.db2.gz VZCOHPHOUZEJDF-IBGZPJMESA-N 0 3 374.529 3.417 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181215815 496315539 /nfs/dbraw/zinc/31/55/39/496315539.db2.gz ZMNRRLFYCRQCOV-YOEHRIQHSA-N 0 3 355.463 3.316 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(C)n1 ZINC000175274318 496318274 /nfs/dbraw/zinc/31/82/74/496318274.db2.gz GNJKCHUFKZKNTF-IBGZPJMESA-N 0 3 362.477 3.246 20 30 FGEDHN N#Cc1cccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000153104540 496355078 /nfs/dbraw/zinc/35/50/78/496355078.db2.gz SMQDWFRQLGKLGA-FQEVSTJZSA-N 0 3 371.444 3.454 20 30 FGEDHN C[C@@H](NC(=O)CSc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000187256683 496364531 /nfs/dbraw/zinc/36/45/31/496364531.db2.gz KMJGAXXVWZZOJA-FOIQADDNSA-N 0 3 353.491 3.458 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000162641790 496388681 /nfs/dbraw/zinc/38/86/81/496388681.db2.gz RXVLBLCLIXQULZ-KRWDZBQOSA-N 0 3 355.482 3.202 20 30 FGEDHN Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000181465904 496408505 /nfs/dbraw/zinc/40/85/05/496408505.db2.gz BQMGQIQQKNQXRN-OAHLLOKOSA-N 0 3 355.413 3.117 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)[C@H]2CCOC2)c1C#N ZINC000162805476 496415325 /nfs/dbraw/zinc/41/53/25/496415325.db2.gz GGUUXIAQOUMJOD-HOCLYGCPSA-N 0 3 358.486 3.045 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@H](C)c2cccc(O)c2)c(OC)c1 ZINC000181498171 496420773 /nfs/dbraw/zinc/42/07/73/496420773.db2.gz WXAOMQWSUXJLNH-DNVCBOLYSA-N 0 3 357.450 3.220 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](CCO)C2CCCCC2)c1 ZINC000181505178 496423746 /nfs/dbraw/zinc/42/37/46/496423746.db2.gz PHHXQPVPNZGJPQ-NRFANRHFSA-N 0 3 371.525 3.471 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000178407862 496444463 /nfs/dbraw/zinc/44/44/63/496444463.db2.gz JSRKSUQBNLKJHW-UHFFFAOYSA-N 0 3 362.477 3.408 20 30 FGEDHN N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCCC[NH+]2CCCCC2)c1 ZINC000184596712 496457011 /nfs/dbraw/zinc/45/70/11/496457011.db2.gz MNPOIIUVHWCZLF-UHFFFAOYSA-N 0 3 369.918 3.146 20 30 FGEDHN C[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000181592797 496460323 /nfs/dbraw/zinc/46/03/23/496460323.db2.gz SDXORTUZTXTZJT-IIBYNOLFSA-N 0 3 353.441 3.421 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000175614949 496465440 /nfs/dbraw/zinc/46/54/40/496465440.db2.gz XJBZFYONEJSUOQ-UHFFFAOYSA-N 0 3 372.513 3.499 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000163787712 496558391 /nfs/dbraw/zinc/55/83/91/496558391.db2.gz NRACHOYWXHDTFG-KRWDZBQOSA-N 0 3 366.461 3.016 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(-c3ccccn3)c2)CC1 ZINC000178860257 496598028 /nfs/dbraw/zinc/59/80/28/496598028.db2.gz WPTUYLAMOHBVDT-UHFFFAOYSA-N 0 3 351.450 3.137 20 30 FGEDHN C[C@H](NCCNC(=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000181958827 496612492 /nfs/dbraw/zinc/61/24/92/496612492.db2.gz HDKYTHIGBUBMME-ZDUSSCGKSA-N 0 3 372.266 3.401 20 30 FGEDHN CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H]1CCCN(C)C1 ZINC000153907118 496620647 /nfs/dbraw/zinc/62/06/47/496620647.db2.gz NNSMZYSCRFXFSU-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc(C#N)c1 ZINC000188091153 496678428 /nfs/dbraw/zinc/67/84/28/496678428.db2.gz BXDZBBVTEPVYLE-MRXNPFEDSA-N 0 3 369.490 3.291 20 30 FGEDHN CC[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCO1 ZINC000182334295 496730019 /nfs/dbraw/zinc/73/00/19/496730019.db2.gz GEMMHNWFOKFFAQ-HOTGVXAUSA-N 0 3 361.511 3.374 20 30 FGEDHN CN(C)c1noc([C@@H]2CCCN(Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000194943161 496769563 /nfs/dbraw/zinc/76/95/63/496769563.db2.gz VMUOVTMVVRDMER-QGZVFWFLSA-N 0 3 369.469 3.198 20 30 FGEDHN N#Cc1cnc(NCc2ccc(CN3CCC(O)CC3)cc2)c(Cl)c1 ZINC000264248953 496851673 /nfs/dbraw/zinc/85/16/73/496851673.db2.gz KRGCSBDACGHRGO-UHFFFAOYSA-N 0 3 356.857 3.175 20 30 FGEDHN COc1cc(-c2noc(C3(C#N)CCCC3)n2)ccc1OCCN(C)C ZINC000273711835 496880970 /nfs/dbraw/zinc/88/09/70/496880970.db2.gz ICAHYLMBXYOVQS-UHFFFAOYSA-N 0 3 356.426 3.021 20 30 FGEDHN C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCC(C)CC1 ZINC000188767249 496902045 /nfs/dbraw/zinc/90/20/45/496902045.db2.gz TXVYPBZLGOHYCD-MRXNPFEDSA-N 0 3 359.474 3.006 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000277828733 496903007 /nfs/dbraw/zinc/90/30/07/496903007.db2.gz YQALZXZCFZPUOV-UHFFFAOYSA-N 0 3 362.477 3.170 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]\CC2(N3CCCC3)CCOCC2)c([O-])c1 ZINC000264454557 496904362 /nfs/dbraw/zinc/90/43/62/496904362.db2.gz WKPDUFIYUAKICV-JWGURIENSA-N 0 3 359.514 3.302 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000195377411 496906065 /nfs/dbraw/zinc/90/60/65/496906065.db2.gz IFZUWBMCUDOMBA-UHFFFAOYSA-N 0 3 367.493 3.314 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000191923237 496933143 /nfs/dbraw/zinc/93/31/43/496933143.db2.gz NOQBMBMDDRGSAR-UHFFFAOYSA-N 0 3 369.509 3.220 20 30 FGEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000269440263 496947699 /nfs/dbraw/zinc/94/76/99/496947699.db2.gz NMWAWQSYUMTPRF-QGTPRVQTSA-N 0 3 359.470 3.232 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C3CCC3)CCC2)cc1 ZINC000578162341 505875751 /nfs/dbraw/zinc/87/57/51/505875751.db2.gz PMIOSEWXCPBJTJ-CYBMUJFWSA-N 0 3 361.467 3.217 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000189015955 496979286 /nfs/dbraw/zinc/97/92/86/496979286.db2.gz DIBNFNVDPBHQGM-VDZJLULYSA-N 0 3 350.528 3.476 20 30 FGEDHN Cc1cc(C)c(C#N)c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000192226539 497041231 /nfs/dbraw/zinc/04/12/31/497041231.db2.gz DFWLNHGTNODTDS-LJQANCHMSA-N 0 3 350.466 3.273 20 30 FGEDHN CO[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[C@H]1C ZINC000189315283 497078773 /nfs/dbraw/zinc/07/87/73/497078773.db2.gz UXJCEMUVIMXYAT-CJNGLKHVSA-N 0 3 361.511 3.184 20 30 FGEDHN CC(C)(C)c1cc[n+](C(C(=O)c2nccs2)C(=S)[N-]C2CC2)cc1 ZINC000278371296 497091693 /nfs/dbraw/zinc/09/16/93/497091693.db2.gz ZPOPBKADLLSLLQ-UHFFFAOYSA-O 0 3 360.528 3.419 20 30 FGEDHN CC1(C)CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000248796877 497106066 /nfs/dbraw/zinc/10/60/66/497106066.db2.gz PFKBORQOSYCKPS-ZBFHGGJFSA-N 0 3 356.388 3.208 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000278519256 497142142 /nfs/dbraw/zinc/14/21/42/497142142.db2.gz CJNRHAVUWQATER-CKEIUWERSA-N 0 3 361.467 3.169 20 30 FGEDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000249124531 497170494 /nfs/dbraw/zinc/17/04/94/497170494.db2.gz XFRVJQZTILKLLK-WMQCIHAUSA-N 0 3 363.461 3.442 20 30 FGEDHN CCCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000236939811 497170575 /nfs/dbraw/zinc/17/05/75/497170575.db2.gz MXMIUUJGEQTLQX-UHFFFAOYSA-N 0 3 366.465 3.206 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)CC1 ZINC000265909059 497205802 /nfs/dbraw/zinc/20/58/02/497205802.db2.gz QMOCMCMFSPMPLO-UHFFFAOYSA-N 0 3 370.493 3.084 20 30 FGEDHN C=CCC[C@H](C(=O)Nc1ccc(=O)n(CCN(C)C)c1)c1ccccc1 ZINC000275081227 497233670 /nfs/dbraw/zinc/23/36/70/497233670.db2.gz YBWOWMKDJJDNOZ-IBGZPJMESA-N 0 3 353.466 3.098 20 30 FGEDHN COc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)cc(OC)c1OC ZINC000192946071 497255210 /nfs/dbraw/zinc/25/52/10/497255210.db2.gz DKOWMDGAQUQTDJ-CQSZACIVSA-N 0 3 356.422 3.466 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nccs2)C1 ZINC000249916003 497257031 /nfs/dbraw/zinc/25/70/31/497257031.db2.gz XIOMFUMOMCKCMA-QZTJIDSGSA-N 0 3 358.507 3.491 20 30 FGEDHN COc1cc(C#N)ccc1CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271080425 497260616 /nfs/dbraw/zinc/26/06/16/497260616.db2.gz YFAFZTIHBWIGHA-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN N#CCCCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000193160918 497314877 /nfs/dbraw/zinc/31/48/77/497314877.db2.gz GXTBTSQIPHORHV-HZPDHXFCSA-N 0 3 353.388 3.107 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)C(C)C ZINC000252664103 497316392 /nfs/dbraw/zinc/31/63/92/497316392.db2.gz UVHYVERUBIYFMU-XUVXKRRUSA-N 0 3 373.545 3.174 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N3CCCC[C@H](N4CCCC4)C3)on2)c1 ZINC000279120515 497339456 /nfs/dbraw/zinc/33/94/56/497339456.db2.gz WAUXBBMZFTYKJA-SFHVURJKSA-N 0 3 364.449 3.304 20 30 FGEDHN CCCOCc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279440775 497439841 /nfs/dbraw/zinc/43/98/41/497439841.db2.gz YOMOQCQCSDIDNJ-OAQYLSRUSA-N 0 3 361.445 3.484 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)[C@H](O)c2ccccc2)CC1 ZINC000279449471 497441753 /nfs/dbraw/zinc/44/17/53/497441753.db2.gz FYRKUULQZPPAPK-WOJBJXKFSA-N 0 3 359.514 3.228 20 30 FGEDHN CN1CC=C(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000271772330 497444411 /nfs/dbraw/zinc/44/44/11/497444411.db2.gz AKIIYRMNUKIXAM-UHFFFAOYSA-N 0 3 361.445 3.129 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271824644 497461452 /nfs/dbraw/zinc/46/14/52/497461452.db2.gz POVORXBNCIRYGV-HWRSSNJWSA-N 0 3 358.463 3.034 20 30 FGEDHN CN1CC=C(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000271925324 497489324 /nfs/dbraw/zinc/48/93/24/497489324.db2.gz LGUCLUVDSGFKCD-UHFFFAOYSA-N 0 3 361.445 3.129 20 30 FGEDHN COc1ccc(NC(=[NH2+])NCc2c([O-])ccc3c2CCCC3)cc1OC ZINC000267457879 497557368 /nfs/dbraw/zinc/55/73/68/497557368.db2.gz TZOPDFOPNXJLLC-UHFFFAOYSA-N 0 3 355.438 3.215 20 30 FGEDHN C=CCCO[C@H](C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000190796980 497606913 /nfs/dbraw/zinc/60/69/13/497606913.db2.gz FTZUSSFVGJWIFW-GOSISDBHSA-N 0 3 359.514 3.445 20 30 FGEDHN Cn1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1C#N ZINC000190878310 497630087 /nfs/dbraw/zinc/63/00/87/497630087.db2.gz REQJDAIHGAPVSM-UHFFFAOYSA-N 0 3 359.355 3.391 20 30 FGEDHN CC1(C#N)CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000272485338 497641474 /nfs/dbraw/zinc/64/14/74/497641474.db2.gz BMPVEEHJGUTTJH-UHFFFAOYSA-N 0 3 350.260 3.403 20 30 FGEDHN COc1ccc(C[C@H](C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000280232592 497688954 /nfs/dbraw/zinc/68/89/54/497688954.db2.gz WGOZZOADPOTWMY-JXFKEZNVSA-N 0 3 361.445 3.244 20 30 FGEDHN CC[C@@H]1C[C@@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000272808568 497736094 /nfs/dbraw/zinc/73/60/94/497736094.db2.gz VCEPDWZWPTYMPQ-FXAWDEMLSA-N 0 3 357.498 3.044 20 30 FGEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc(C#N)n(C)c1 ZINC000191268785 497762547 /nfs/dbraw/zinc/76/25/47/497762547.db2.gz BMBVZQWCSRUALC-UHFFFAOYSA-N 0 3 351.429 3.491 20 30 FGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000569412821 505928156 /nfs/dbraw/zinc/92/81/56/505928156.db2.gz LHLYICXPNZSQCF-QUCCMNQESA-N 0 3 357.404 3.380 20 30 FGEDHN CS[C@@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@@H]1N1CCCC1 ZINC000329619273 497847511 /nfs/dbraw/zinc/84/75/11/497847511.db2.gz QVCLPWBTHVMTJV-UONOGXRCSA-N 0 3 366.531 3.072 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCN1Cc1ccccc1 ZINC000329704655 497874706 /nfs/dbraw/zinc/87/47/06/497874706.db2.gz JOZBHSKZYSNMFK-OWYHZJEWSA-N 0 3 370.497 3.147 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000575208279 505942458 /nfs/dbraw/zinc/94/24/58/505942458.db2.gz CPQKENQEIORVIZ-DYESRHJHSA-N 0 3 362.477 3.363 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329781634 497899081 /nfs/dbraw/zinc/89/90/81/497899081.db2.gz SVPXATOCINGTRD-RDJZCZTQSA-N 0 3 361.534 3.482 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000329823152 497914489 /nfs/dbraw/zinc/91/44/89/497914489.db2.gz ZJIWUXBJQPVVRC-BLVKFPJESA-N 0 3 356.445 3.062 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000572350145 505947547 /nfs/dbraw/zinc/94/75/47/505947547.db2.gz RBTSUJROHHAZMT-ZWKOTPCHSA-N 0 3 351.425 3.293 20 30 FGEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000284842522 497918827 /nfs/dbraw/zinc/91/88/27/497918827.db2.gz SSFFIFODICBLOP-OAHLLOKOSA-N 0 3 358.463 3.081 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000575240929 505949467 /nfs/dbraw/zinc/94/94/67/505949467.db2.gz LXZXTAKHLRVFRG-UHFFFAOYSA-N 0 3 360.845 3.189 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)COc2ccccc2C#N)N(C)C)cc1 ZINC000569498488 505949817 /nfs/dbraw/zinc/94/98/17/505949817.db2.gz NMGLJJSMEVQDHE-GOSISDBHSA-N 0 3 369.490 3.078 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000329902346 497946916 /nfs/dbraw/zinc/94/69/16/497946916.db2.gz PICPSSSMXPLOCH-VXGBXAGGSA-N 0 3 358.421 3.140 20 30 FGEDHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000329905346 497947305 /nfs/dbraw/zinc/94/73/05/497947305.db2.gz JNKWWIKTIMTKMQ-LJQANCHMSA-N 0 3 367.497 3.190 20 30 FGEDHN CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)[N-]C2CCC2)cc1 ZINC000292281601 497952760 /nfs/dbraw/zinc/95/27/60/497952760.db2.gz IDIXRICHZXVVCY-UHFFFAOYSA-O 0 3 354.499 3.121 20 30 FGEDHN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000329937378 497961290 /nfs/dbraw/zinc/96/12/90/497961290.db2.gz LMYSCXPZAIINKG-INIZCTEOSA-N 0 3 367.497 3.175 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC([O-])=[NH+]C[C@@H]2CCc3nccn3C2)cc1 ZINC000329966590 497973569 /nfs/dbraw/zinc/97/35/69/497973569.db2.gz VCFQMHNVRIGCNE-QRFRQXIXSA-N 0 3 368.481 3.178 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3nnc(C(C)C)n3c2)CC1 ZINC000330013207 497990916 /nfs/dbraw/zinc/99/09/16/497990916.db2.gz LVLMACVPSIYKBY-UHFFFAOYSA-N 0 3 356.474 3.219 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000289041726 497992419 /nfs/dbraw/zinc/99/24/19/497992419.db2.gz QREPZKUZEIGGFP-UHFFFAOYSA-N 0 3 356.800 3.268 20 30 FGEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000292384733 497995675 /nfs/dbraw/zinc/99/56/75/497995675.db2.gz XOTJJVLMZIMJSD-HKUYNNGSSA-N 0 3 371.481 3.420 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CC[C@@H](n4cncn4)C3)c2)c1 ZINC000364513522 497995999 /nfs/dbraw/zinc/99/59/99/497995999.db2.gz UXYYKLMQDJVWQR-HXUWFJFHSA-N 0 3 359.433 3.176 20 30 FGEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000330056931 498006548 /nfs/dbraw/zinc/00/65/48/498006548.db2.gz WQCFDTGJERNUGF-ROUUACIJSA-N 0 3 360.502 3.452 20 30 FGEDHN CSCc1cc(F)ccc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000575377190 505969988 /nfs/dbraw/zinc/96/99/88/505969988.db2.gz GUHQUGDUDCHVLY-LJQANCHMSA-N 0 3 374.481 3.284 20 30 FGEDHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000301324076 498056648 /nfs/dbraw/zinc/05/66/48/498056648.db2.gz XAPVRYYADJSHOK-KBXCAEBGSA-N 0 3 351.410 3.184 20 30 FGEDHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000285383056 498069566 /nfs/dbraw/zinc/06/95/66/498069566.db2.gz ZZCHEMMJDYZYEZ-GOSISDBHSA-N 0 3 373.497 3.258 20 30 FGEDHN CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000285454956 498090717 /nfs/dbraw/zinc/09/07/17/498090717.db2.gz MOXDWOLVQXEMQB-PKOBYXMFSA-N 0 3 370.449 3.056 20 30 FGEDHN CC[C@H]1CN(c2c(C#N)cnc3c(C)cc(C)cc32)CCN1C[C@@H](C)O ZINC000301445311 498112882 /nfs/dbraw/zinc/11/28/82/498112882.db2.gz ZEJOIEMRKSSJOF-AEFFLSMTSA-N 0 3 352.482 3.005 20 30 FGEDHN Cc1nc(NCc2ccccc2CN2CCC(O)CC2)c(Cl)cc1C#N ZINC000292724152 498123111 /nfs/dbraw/zinc/12/31/11/498123111.db2.gz UEJQXSJVDXENAX-UHFFFAOYSA-N 0 3 370.884 3.484 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(S(C)(=O)=O)CCCC2)c([O-])c1 ZINC000285596497 498141557 /nfs/dbraw/zinc/14/15/57/498141557.db2.gz UFMJPCKOWWJFPI-CPNJWEJPSA-N 0 3 352.500 3.015 20 30 FGEDHN COC(=O)c1cc(OC)ccc1NC(=O)C(C#N)CCc1ccccc1 ZINC000581436299 505987904 /nfs/dbraw/zinc/98/79/04/505987904.db2.gz YASYSPRTWWICDW-OAHLLOKOSA-N 0 3 352.390 3.193 20 30 FGEDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)C1 ZINC000292888625 498185456 /nfs/dbraw/zinc/18/54/56/498185456.db2.gz YOHRGLRMVNXAHI-INIZCTEOSA-N 0 3 352.360 3.137 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccccc3)CCC2)cc1 ZINC000575741735 505995533 /nfs/dbraw/zinc/99/55/33/505995533.db2.gz REKRDJAZDMLNEP-UHFFFAOYSA-N 0 3 354.475 3.043 20 30 FGEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000330983155 498231068 /nfs/dbraw/zinc/23/10/68/498231068.db2.gz KFZVFPJNLDKLRF-DJJJIMSYSA-N 0 3 363.889 3.317 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ncc(C3CCOCC3)s2)CC1 ZINC000296899512 498242965 /nfs/dbraw/zinc/24/29/65/498242965.db2.gz YVFNOQGBHNCKJV-UHFFFAOYSA-N 0 3 364.515 3.199 20 30 FGEDHN COc1cc(CNCc2ccc(NC(=O)NC(C)C)cc2)ccc1C#N ZINC000281812606 498278949 /nfs/dbraw/zinc/27/89/49/498278949.db2.gz WDYVZVWJMIICES-UHFFFAOYSA-N 0 3 352.438 3.387 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2CO[C@@H](C)C2)cc1OC ZINC000575868205 506022027 /nfs/dbraw/zinc/02/20/27/506022027.db2.gz VKGFXNSBFOUOEV-WCQYABFASA-N 0 3 356.260 3.290 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(OCCN(C)C)c(OC)c2)no1 ZINC000290087714 498423282 /nfs/dbraw/zinc/42/32/82/498423282.db2.gz LGZOYFYVFBHTGP-CRAIPNDOSA-N 0 3 373.453 3.134 20 30 FGEDHN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000282240949 498434737 /nfs/dbraw/zinc/43/47/37/498434737.db2.gz KCPAYNQMEKMCDH-LJQANCHMSA-N 0 3 362.481 3.067 20 30 FGEDHN N#CCCOCCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000293797818 498492154 /nfs/dbraw/zinc/49/21/54/498492154.db2.gz NBVHYACAWARNHX-UHFFFAOYSA-N 0 3 353.825 3.060 20 30 FGEDHN CC(C)c1nccc(C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000362411849 498512820 /nfs/dbraw/zinc/51/28/20/498512820.db2.gz CVPWLYYDVGYUKF-FQEVSTJZSA-N 0 3 350.466 3.385 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000297642313 498521476 /nfs/dbraw/zinc/52/14/76/498521476.db2.gz BTNDKXSWXTWABV-YOEHRIQHSA-N 0 3 364.440 3.120 20 30 FGEDHN Cc1nn2c(CN[C@H]3CCCN(c4ccccc4C#N)C3)c(C)nc2s1 ZINC000362657973 498532678 /nfs/dbraw/zinc/53/26/78/498532678.db2.gz LOQGZRHCZSYJTF-INIZCTEOSA-N 0 3 366.494 3.038 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC=C(c3cccc(OC)c3)CC2)CC1 ZINC000362865595 498568495 /nfs/dbraw/zinc/56/84/95/498568495.db2.gz RISKRAXNXKGAKS-UHFFFAOYSA-N 0 3 355.482 3.144 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000569976023 506060510 /nfs/dbraw/zinc/06/05/10/506060510.db2.gz WZJUUKDRGRESHD-QGZVFWFLSA-N 0 3 363.299 3.246 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(C#N)CC1 ZINC000282699444 498617319 /nfs/dbraw/zinc/61/73/19/498617319.db2.gz JEDKLNGFBIOWLH-IBGZPJMESA-N 0 3 354.498 3.232 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365749130 498623486 /nfs/dbraw/zinc/62/34/86/498623486.db2.gz FNEJZKDANLQOMI-ROUUACIJSA-N 0 3 363.436 3.291 20 30 FGEDHN N#CCC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000569994774 506064489 /nfs/dbraw/zinc/06/44/89/506064489.db2.gz MJFXGNGGCCPJMI-SFHVURJKSA-N 0 3 361.436 3.296 20 30 FGEDHN N#CCCC1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000579010806 506073811 /nfs/dbraw/zinc/07/38/11/506073811.db2.gz ORHIQUBJCCLPII-UHFFFAOYSA-N 0 3 369.509 3.047 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)CC1 ZINC000294455576 498698546 /nfs/dbraw/zinc/69/85/46/498698546.db2.gz LIOOYUSYPCKJEK-QFIPXVFZSA-N 0 3 366.509 3.237 20 30 FGEDHN COCCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCN(C)CC1 ZINC000290871238 498706346 /nfs/dbraw/zinc/70/63/46/498706346.db2.gz DVVAEGCBCORVCX-UHFFFAOYSA-N 0 3 357.498 3.061 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(COc2ccccn2)CC1 ZINC000363354243 498776972 /nfs/dbraw/zinc/77/69/72/498776972.db2.gz ZEJCQYVHUXRUKT-UHFFFAOYSA-N 0 3 370.478 3.134 20 30 FGEDHN COc1ncc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000294915077 498848355 /nfs/dbraw/zinc/84/83/55/498848355.db2.gz FEPPLLKHESAYAF-UHFFFAOYSA-N 0 3 370.884 3.369 20 30 FGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291275606 498872680 /nfs/dbraw/zinc/87/26/80/498872680.db2.gz PWNOAWKRTQPEPF-MRXNPFEDSA-N 0 3 364.449 3.208 20 30 FGEDHN Cn1cc(CN2CCC3(CCC(O)CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000295043681 498889819 /nfs/dbraw/zinc/88/98/19/498889819.db2.gz FCVOMUUDKKJHDD-UHFFFAOYSA-N 0 3 364.493 3.476 20 30 FGEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]2COC[C@@H]21 ZINC000333124035 498907405 /nfs/dbraw/zinc/90/74/05/498907405.db2.gz VOTUTZCDBRWBNH-JKSUJKDBSA-N 0 3 373.522 3.184 20 30 FGEDHN CN1CCN(CCNC(=O)c2ccnc(OC3CCCCC3)c2)CC1(C)C ZINC000328700607 498907766 /nfs/dbraw/zinc/90/77/66/498907766.db2.gz IUXBFUXSGSGQCU-UHFFFAOYSA-N 0 3 374.529 3.124 20 30 FGEDHN C#CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000298892259 498910235 /nfs/dbraw/zinc/91/02/35/498910235.db2.gz LKDCWUYKMCGXMP-QGZVFWFLSA-N 0 3 367.405 3.286 20 30 FGEDHN Cc1nc2cccc(C(=O)NCC3(N4CCOCC4)CCCCC3)c2[nH]1 ZINC000328729097 498917685 /nfs/dbraw/zinc/91/76/85/498917685.db2.gz FGIVBNDSUFIQST-UHFFFAOYSA-N 0 3 356.470 3.211 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000288099874 498944402 /nfs/dbraw/zinc/94/44/02/498944402.db2.gz GYLVLDRYXRORHB-ZPMCFJSWSA-N 0 3 372.472 3.020 20 30 FGEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328821898 498949519 /nfs/dbraw/zinc/94/95/19/498949519.db2.gz PAGFNOXZLQYXNT-NZPGVSJUSA-N 0 3 366.889 3.487 20 30 FGEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328821899 498949639 /nfs/dbraw/zinc/94/96/39/498949639.db2.gz PAGFNOXZLQYXNT-OXXUSNJHSA-N 0 3 366.889 3.487 20 30 FGEDHN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328826101 498951030 /nfs/dbraw/zinc/95/10/30/498951030.db2.gz QDHGOUOZSUYBNX-FCNFAXOHSA-N 0 3 369.465 3.073 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328831604 498954004 /nfs/dbraw/zinc/95/40/04/498954004.db2.gz LCCSMARBXSWMJT-PKOBYXMFSA-N 0 3 355.482 3.070 20 30 FGEDHN C[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363836822 499018974 /nfs/dbraw/zinc/01/89/74/499018974.db2.gz WAYIQDJPLDOJIA-ZDUSSCGKSA-N 0 3 354.479 3.201 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000329077205 499034960 /nfs/dbraw/zinc/03/49/60/499034960.db2.gz PZOZXKXPWQKDOE-PBYMTVQHSA-N 0 3 361.461 3.032 20 30 FGEDHN O=C(NCC1CCN(c2ccncc2)CC1)N1CCC(OCC2CC2)CC1 ZINC000329149542 499056486 /nfs/dbraw/zinc/05/64/86/499056486.db2.gz QTICWTKQCMUTFG-UHFFFAOYSA-N 0 3 372.513 3.103 20 30 FGEDHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000329209462 499072698 /nfs/dbraw/zinc/07/26/98/499072698.db2.gz YKRVEAUWRPLSBE-KFKAGJAMSA-N 0 3 360.502 3.251 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000329250251 499083679 /nfs/dbraw/zinc/08/36/79/499083679.db2.gz UEXJURLELQAOEG-BEFAXECRSA-N 0 3 373.497 3.256 20 30 FGEDHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)CC1CCCC1 ZINC000329268277 499087707 /nfs/dbraw/zinc/08/77/07/499087707.db2.gz IBILRNUKASIUOV-CYBMUJFWSA-N 0 3 361.442 3.470 20 30 FGEDHN O=C(NC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)C1CCCCC1 ZINC000329288072 499091755 /nfs/dbraw/zinc/09/17/55/499091755.db2.gz HORLDCLZJWPMQQ-QGZVFWFLSA-N 0 3 362.518 3.138 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](CN2CCCC2)c2ccccc2)no1 ZINC000329369211 499110428 /nfs/dbraw/zinc/11/04/28/499110428.db2.gz JJUQDOYYFXKOMW-ROUUACIJSA-N 0 3 369.469 3.266 20 30 FGEDHN CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCCCC1 ZINC000329380597 499112538 /nfs/dbraw/zinc/11/25/38/499112538.db2.gz NKZWNNWECJOXTI-QZTJIDSGSA-N 0 3 364.534 3.134 20 30 FGEDHN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329387008 499112622 /nfs/dbraw/zinc/11/26/22/499112622.db2.gz SRODVZIFMYTLIB-GBCUEWQUSA-N 0 3 373.541 3.245 20 30 FGEDHN CCOc1ccccc1[C@H](CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)NC(C)=O ZINC000329413747 499117782 /nfs/dbraw/zinc/11/77/82/499117782.db2.gz DWYBOENOQOQMIL-YTQUADARSA-N 0 3 373.497 3.046 20 30 FGEDHN C=CCN(C(=O)c1cn(C(C)C)cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366950836 499121088 /nfs/dbraw/zinc/12/10/88/499121088.db2.gz HEJJKLUSMKKIHT-LJQANCHMSA-N 0 3 352.482 3.367 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000329450541 499123168 /nfs/dbraw/zinc/12/31/68/499123168.db2.gz DONXGBWFYKREHV-DJABAAGCSA-N 0 3 358.482 3.220 20 30 FGEDHN COC[C@@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000364148018 499123669 /nfs/dbraw/zinc/12/36/69/499123669.db2.gz IENXBSMKMIUYPQ-DLBZAZTESA-N 0 3 361.461 3.209 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329460347 499124865 /nfs/dbraw/zinc/12/48/65/499124865.db2.gz PDXSBMNFFMMYKX-UHFFFAOYSA-N 0 3 360.502 3.176 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)[C@@H]2C1 ZINC000329468235 499125727 /nfs/dbraw/zinc/12/57/27/499125727.db2.gz XFBJVLICFFRFPX-YLJYHZDGSA-N 0 3 369.509 3.500 20 30 FGEDHN CN1CCC2(CCCN2C(=O)Nc2nc(C3CCOCC3)cs2)CC1 ZINC000329471505 499126084 /nfs/dbraw/zinc/12/60/84/499126084.db2.gz ZNLOKCWHZAKENI-UHFFFAOYSA-N 0 3 364.515 3.143 20 30 FGEDHN CN1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329494429 499127950 /nfs/dbraw/zinc/12/79/50/499127950.db2.gz DEYPCFLCGSDQMN-DLBZAZTESA-N 0 3 374.533 3.040 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2cccn2Cc2ccccc2C#N)[C@]12CCCO2 ZINC000372650669 499157920 /nfs/dbraw/zinc/15/79/20/499157920.db2.gz PVFXRMMCGQGKOV-BHDDXSALSA-N 0 3 365.477 3.224 20 30 FGEDHN C=CCC[C@H](O)CN1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000370072687 499174543 /nfs/dbraw/zinc/17/45/43/499174543.db2.gz XUTFCZAZEZNZGR-INIZCTEOSA-N 0 3 357.454 3.252 20 30 FGEDHN N#CC1(c2ccccn2)CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000370312841 499208439 /nfs/dbraw/zinc/20/84/39/499208439.db2.gz CVQDSBHGFBRFKF-UHFFFAOYSA-N 0 3 374.488 3.375 20 30 FGEDHN N#Cc1csc(CNc2cccc(N3CCN(CC4CC4)CC3)c2)n1 ZINC000579294114 506138454 /nfs/dbraw/zinc/13/84/54/506138454.db2.gz FVGSHSQLDUGPEX-UHFFFAOYSA-N 0 3 353.495 3.159 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000367750947 499230774 /nfs/dbraw/zinc/23/07/74/499230774.db2.gz ACXJYNRMMGXQAQ-SFHVURJKSA-N 0 3 358.530 3.475 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000573189192 506139425 /nfs/dbraw/zinc/13/94/25/506139425.db2.gz YVYRCSCUZIIOOT-AADNMHCOSA-N 0 3 373.522 3.229 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000371396615 499320432 /nfs/dbraw/zinc/32/04/32/499320432.db2.gz RSYJKXAWEXTCJM-GDBMZVCRSA-N 0 3 370.478 3.285 20 30 FGEDHN CN1CCC2(CCCN2C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000371410123 499322348 /nfs/dbraw/zinc/32/23/48/499322348.db2.gz BGIJMIZUWVQJCQ-UHFFFAOYSA-N 0 3 372.538 3.061 20 30 FGEDHN CN1CC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000368800012 499333745 /nfs/dbraw/zinc/33/37/45/499333745.db2.gz ZIHABXHKHKRXTJ-QFBILLFUSA-N 0 3 365.502 3.461 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000579313930 506143664 /nfs/dbraw/zinc/14/36/64/506143664.db2.gz UAHXNOPRPJZQLH-INIZCTEOSA-N 0 3 353.388 3.324 20 30 FGEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369166251 499373614 /nfs/dbraw/zinc/37/36/14/499373614.db2.gz XHTUOQGRCOCUGM-IBGZPJMESA-N 0 3 365.477 3.288 20 30 FGEDHN C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371999490 499388488 /nfs/dbraw/zinc/38/84/88/499388488.db2.gz SWOFCDWXMDZDIF-XJKSGUPXSA-N 0 3 369.494 3.088 20 30 FGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(CCOc2ccccc2C#N)CC1 ZINC000369521184 499412143 /nfs/dbraw/zinc/41/21/43/499412143.db2.gz SMANWEQTZUHVMV-OAQYLSRUSA-N 0 3 369.509 3.440 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369531429 499413528 /nfs/dbraw/zinc/41/35/28/499413528.db2.gz NBFPOASAVSZFDY-HKUYNNGSSA-N 0 3 368.506 3.454 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369531591 499413621 /nfs/dbraw/zinc/41/36/21/499413621.db2.gz NRXNCXQHMAVEDH-PKOBYXMFSA-N 0 3 368.506 3.454 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000576388188 506146103 /nfs/dbraw/zinc/14/61/03/506146103.db2.gz YDCWNQYSLHVXQA-ROUUACIJSA-N 0 3 369.513 3.005 20 30 FGEDHN COc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000373499308 499473481 /nfs/dbraw/zinc/47/34/81/499473481.db2.gz WZUGRHKRLQZDJA-UHFFFAOYSA-N 0 3 351.450 3.027 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(CO)(Nc3ccccc3)CC2)cc1 ZINC000378322615 499501564 /nfs/dbraw/zinc/50/15/64/499501564.db2.gz FZQAJQHZEKWOCG-UHFFFAOYSA-N 0 3 365.477 3.266 20 30 FGEDHN Cc1ncc(CN2CC[C@H](NCC#Cc3ccc(F)cc3)[C@@H](C)C2)s1 ZINC000375505185 499526745 /nfs/dbraw/zinc/52/67/45/499526745.db2.gz ANSAARNSHRGXQN-YWZLYKJASA-N 0 3 357.498 3.442 20 30 FGEDHN CN(Cc1cccn1Cc1ccccc1C#N)C[C@@H]1CCc2nccn2C1 ZINC000375975552 499573132 /nfs/dbraw/zinc/57/31/32/499573132.db2.gz RJKMICPOZHZRSJ-SFHVURJKSA-N 0 3 359.477 3.299 20 30 FGEDHN CN1CCC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000375986497 499574061 /nfs/dbraw/zinc/57/40/61/499574061.db2.gz SLMJLCJKJRAIAW-UHFFFAOYSA-N 0 3 374.916 3.029 20 30 FGEDHN CCCC[C@H](ON=C(C)C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000376301216 499598858 /nfs/dbraw/zinc/59/88/58/499598858.db2.gz GTTFSOYMQZYUQU-FQEVSTJZSA-N 0 3 374.529 3.176 20 30 FGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409671054 499613485 /nfs/dbraw/zinc/61/34/85/499613485.db2.gz YKCDJNQOKXYDBZ-LJQANCHMSA-N 0 3 365.481 3.128 20 30 FGEDHN N#CCc1ccc(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000582178114 506152379 /nfs/dbraw/zinc/15/23/79/506152379.db2.gz KZVDNXBBZKTUOY-FCHUYYIVSA-N 0 3 374.488 3.169 20 30 FGEDHN CN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)c1ccccc1C#N ZINC000410579694 499668990 /nfs/dbraw/zinc/66/89/90/499668990.db2.gz ZAQJPHWEVHCZAO-ZIAGYGMSSA-N 0 3 353.388 3.430 20 30 FGEDHN COC(=O)c1ccnc(N2CCCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000377713090 499724129 /nfs/dbraw/zinc/72/41/29/499724129.db2.gz RXGQDHRJOXEDBF-INIZCTEOSA-N 0 3 364.449 3.013 20 30 FGEDHN C=CCC[C@@H](NCC(=O)N1CCC[C@H](C(=O)OCC)C1)c1ccccc1 ZINC000411476670 499745511 /nfs/dbraw/zinc/74/55/11/499745511.db2.gz VEJFFTIBKMRJDC-RBUKOAKNSA-N 0 3 358.482 3.085 20 30 FGEDHN C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(C#N)cc1Cl ZINC000378179982 499762300 /nfs/dbraw/zinc/76/23/00/499762300.db2.gz OEAHRYZGKONNSH-KSSFIOAISA-N 0 3 365.930 3.070 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCOCC2)[C@H]1C(C)C ZINC000414189112 499767244 /nfs/dbraw/zinc/76/72/44/499767244.db2.gz QZEIFGOQHDJBOC-TZIWHRDSSA-N 0 3 359.510 3.292 20 30 FGEDHN COc1cc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)ccc1C#N ZINC000414540366 499805460 /nfs/dbraw/zinc/80/54/60/499805460.db2.gz OTCRICOMRWFGGI-NRFANRHFSA-N 0 3 366.461 3.187 20 30 FGEDHN CC1CCC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)CC1 ZINC000412137666 499826981 /nfs/dbraw/zinc/82/69/81/499826981.db2.gz RPVFMHFKWNIWRG-APDVGNCJSA-N 0 3 351.494 3.385 20 30 FGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412545638 499861894 /nfs/dbraw/zinc/86/18/94/499861894.db2.gz INPWCQLDQLFNIX-UHFFFAOYSA-N 0 3 370.428 3.048 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415166642 499872301 /nfs/dbraw/zinc/87/23/01/499872301.db2.gz RUXKQOAGAYZWHM-UMVBOHGHSA-N 0 3 362.499 3.173 20 30 FGEDHN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCNCC2)cc1F ZINC000415238578 499879768 /nfs/dbraw/zinc/87/97/68/499879768.db2.gz LYIGOXKWYDIUGP-UHFFFAOYSA-N 0 3 354.385 3.317 20 30 FGEDHN CCOC(=O)c1ccc(C#N)c(S[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000412990772 499903204 /nfs/dbraw/zinc/90/32/04/499903204.db2.gz PUXLHOPRHPHUIP-KRWDZBQOSA-N 0 3 367.474 3.497 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1noc2ccc(F)cc12)C(C)C ZINC000416154535 499961505 /nfs/dbraw/zinc/96/15/05/499961505.db2.gz AVRPQRBKKYEONU-GOSISDBHSA-N 0 3 359.445 3.324 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000424931756 499969236 /nfs/dbraw/zinc/96/92/36/499969236.db2.gz LFMJLBKFBVOLAH-YYWHXJBOSA-N 0 3 356.510 3.037 20 30 FGEDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc(C#N)s2)c1 ZINC000421354878 500024080 /nfs/dbraw/zinc/02/40/80/500024080.db2.gz XPYSIVONFVWZEB-GFCCVEGCSA-N 0 3 359.451 3.144 20 30 FGEDHN C=CCN1CC[C@@H](NC(C)(C)Cc2ccc(Br)c(C)c2)C1=O ZINC000429233594 500028917 /nfs/dbraw/zinc/02/89/17/500028917.db2.gz DYXVXRURQICBFL-MRXNPFEDSA-N 0 3 365.315 3.455 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c(F)c1 ZINC000413910403 500093227 /nfs/dbraw/zinc/09/32/27/500093227.db2.gz FZCCZMZNNDGGJG-QGZVFWFLSA-N 0 3 369.440 3.477 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000425405739 500095621 /nfs/dbraw/zinc/09/56/21/500095621.db2.gz YWDPACJUYQOEBL-WDYCEAGBSA-N 0 3 358.486 3.070 20 30 FGEDHN CCOc1ccc(OC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425534752 500135763 /nfs/dbraw/zinc/13/57/63/500135763.db2.gz GOLDPQXGNATBLO-QFBILLFUSA-N 0 3 354.450 3.390 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000425648891 500170374 /nfs/dbraw/zinc/17/03/74/500170374.db2.gz CBNGCACEOXPLAY-PXNSSMCTSA-N 0 3 373.497 3.264 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425670733 500176568 /nfs/dbraw/zinc/17/65/68/500176568.db2.gz GGRPKZNAIFWMLA-DBVUQKKJSA-N 0 3 368.525 3.451 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C#N)s1 ZINC000422213394 500235214 /nfs/dbraw/zinc/23/52/14/500235214.db2.gz FZHGWARKIMYRBF-UHFFFAOYSA-N 0 3 360.458 3.032 20 30 FGEDHN CC1CCN([C@H](CNC(=O)NCC2(CC#N)CC2)c2ccccc2)CC1 ZINC000430430906 500239074 /nfs/dbraw/zinc/23/90/74/500239074.db2.gz MFTBAKXMIWWCJA-LJQANCHMSA-N 0 3 354.498 3.453 20 30 FGEDHN C=CC[C@H](C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1)c1ccccc1 ZINC000427149545 500359713 /nfs/dbraw/zinc/35/97/13/500359713.db2.gz HSNRHULSNHNADO-FPOVZHCZSA-N 0 3 368.477 3.286 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419606244 500383993 /nfs/dbraw/zinc/38/39/93/500383993.db2.gz FKELRMIYKBWZLV-FQEVSTJZSA-N 0 3 354.498 3.453 20 30 FGEDHN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H](N)CCCC#N ZINC000424083520 500449324 /nfs/dbraw/zinc/44/93/24/500449324.db2.gz CWVZJAAETOKYRU-HNNXBMFYSA-N 0 3 352.276 3.207 20 30 FGEDHN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424091083 500451363 /nfs/dbraw/zinc/45/13/63/500451363.db2.gz NETFPMIEZCUSNW-QGZVFWFLSA-N 0 3 350.422 3.207 20 30 FGEDHN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424102866 500453362 /nfs/dbraw/zinc/45/33/62/500453362.db2.gz CFAMZACCORORJS-PMACEKPBSA-N 0 3 369.440 3.255 20 30 FGEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000424125825 500457960 /nfs/dbraw/zinc/45/79/60/500457960.db2.gz OHYFAXQWVYZZAJ-VQHPVUNQSA-N 0 3 361.559 3.199 20 30 FGEDHN CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(C(F)(F)F)c1 ZINC000424128185 500458239 /nfs/dbraw/zinc/45/82/39/500458239.db2.gz WHRSDMAFORGWDM-DZGCQCFKSA-N 0 3 357.376 3.000 20 30 FGEDHN COc1ccc2c(c1)CN(C(=O)[C@H](N)CCCC#N)[C@@H](c1ccccc1)C2 ZINC000424129400 500458306 /nfs/dbraw/zinc/45/83/06/500458306.db2.gz SURPJVLNPTZMCG-NHCUHLMSSA-N 0 3 363.461 3.342 20 30 FGEDHN COc1ccc2c(c1)CN(C(=O)[C@@H](N)CCCC#N)[C@H](c1ccccc1)C2 ZINC000424129406 500458358 /nfs/dbraw/zinc/45/83/58/500458358.db2.gz SURPJVLNPTZMCG-SFTDATJTSA-N 0 3 363.461 3.342 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000432062630 500461801 /nfs/dbraw/zinc/46/18/01/500461801.db2.gz QIPGLBRZRQPZKR-OAQYLSRUSA-N 0 3 362.477 3.191 20 30 FGEDHN CC(C)C[C@H](CNCc1cnc2ccc(C#N)cn12)C(=O)OC(C)(C)C ZINC000424188463 500465615 /nfs/dbraw/zinc/46/56/15/500465615.db2.gz LJKOPTKHKSPMGW-MRXNPFEDSA-N 0 3 356.470 3.300 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2cccc(C#N)c2)C1 ZINC000576608897 506197988 /nfs/dbraw/zinc/19/79/88/506197988.db2.gz GWVCHRMGYVYEDN-LAUBAEHRSA-N 0 3 362.477 3.235 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)CCOCC1 ZINC000424589692 500523354 /nfs/dbraw/zinc/52/33/54/500523354.db2.gz XPCUWIVZHDXDCN-UHFFFAOYSA-N 0 3 371.525 3.136 20 30 FGEDHN CCCOc1ccc(OCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770891 500555489 /nfs/dbraw/zinc/55/54/89/500555489.db2.gz GXSBQWWEFIZDIB-HXUWFJFHSA-N 0 3 367.449 3.274 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000421023405 500557002 /nfs/dbraw/zinc/55/70/02/500557002.db2.gz PRUAJEGBKCGBCE-NVXWUHKLSA-N 0 3 371.481 3.187 20 30 FGEDHN COc1cc(CN2C[C@@H](O)CC[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000421035526 500561057 /nfs/dbraw/zinc/56/10/57/500561057.db2.gz ZIQJDBSTRMSICR-JXFKEZNVSA-N 0 3 366.461 3.491 20 30 FGEDHN N#CCCC[C@H](NCC(=O)NC(=O)NC1CCCCC1)c1ccccc1 ZINC000433019960 500607836 /nfs/dbraw/zinc/60/78/36/500607836.db2.gz LTWDNCGOUSNIDI-SFHVURJKSA-N 0 3 356.470 3.170 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000442682932 500610737 /nfs/dbraw/zinc/61/07/37/500610737.db2.gz PNNJOICYGDLVCB-HXUWFJFHSA-N 0 3 362.521 3.369 20 30 FGEDHN Cc1ccccc1CN1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433111769 500628409 /nfs/dbraw/zinc/62/84/09/500628409.db2.gz WTNKMEHRZJSSOV-OAQYLSRUSA-N 0 3 361.489 3.412 20 30 FGEDHN CC[C@H](NCc1ccc(S(=O)(=O)CCOC)cc1)c1ccc(C#N)cc1 ZINC000447591289 500630444 /nfs/dbraw/zinc/63/04/44/500630444.db2.gz CPKMJNBDBBOLSA-FQEVSTJZSA-N 0 3 372.490 3.219 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000433222997 500649812 /nfs/dbraw/zinc/64/98/12/500649812.db2.gz ZFIIBWPXBKKMLI-PBHICJAKSA-N 0 3 350.422 3.127 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000437521549 500654625 /nfs/dbraw/zinc/65/46/25/500654625.db2.gz FYSKIIGIIQIEFB-OAQYLSRUSA-N 0 3 363.461 3.220 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000433298714 500665669 /nfs/dbraw/zinc/66/56/69/500665669.db2.gz PNAWPPHVJBGJDB-OAQYLSRUSA-N 0 3 366.461 3.439 20 30 FGEDHN Cc1cccc(OCCNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433314052 500670052 /nfs/dbraw/zinc/67/00/52/500670052.db2.gz TVCAVDRWKOJYOD-UHFFFAOYSA-N 0 3 361.449 3.336 20 30 FGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433317678 500670904 /nfs/dbraw/zinc/67/09/04/500670904.db2.gz JHHMLUAJEIOTIX-YSIASYRMSA-N 0 3 369.509 3.302 20 30 FGEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000433357091 500679991 /nfs/dbraw/zinc/67/99/91/500679991.db2.gz WJWIBZFUMVDNDS-UYAOXDASSA-N 0 3 361.445 3.023 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000437712937 500685072 /nfs/dbraw/zinc/68/50/72/500685072.db2.gz YKJNDOVAYWGSQG-WMLDXEAASA-N 0 3 351.853 3.285 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000438243933 500758469 /nfs/dbraw/zinc/75/84/69/500758469.db2.gz CEEYOEXYUSYDPD-QRQLOZEOSA-N 0 3 359.514 3.396 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(C#N)c1Br)N1CCC[C@H](C)C1 ZINC000448704720 500809144 /nfs/dbraw/zinc/80/91/44/500809144.db2.gz OEJGGUSMWQNVBB-QWHCGFSZSA-N 0 3 364.287 3.171 20 30 FGEDHN C=CCC1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000448832939 500846561 /nfs/dbraw/zinc/84/65/61/500846561.db2.gz BLGOKNWLGCVZPL-UHFFFAOYSA-N 0 3 370.541 3.237 20 30 FGEDHN CCOC(=O)CC1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCCC1 ZINC000434611151 500864955 /nfs/dbraw/zinc/86/49/55/500864955.db2.gz DHJZVNGLVJRKNP-UHFFFAOYSA-N 0 3 363.483 3.031 20 30 FGEDHN C=CCN1CCC(Nc2c(C#N)cnc3c(OC)cc(OC)cc32)CC1 ZINC000439156734 500865100 /nfs/dbraw/zinc/86/51/00/500865100.db2.gz MHRKXKAMPALXQH-UHFFFAOYSA-N 0 3 352.438 3.186 20 30 FGEDHN CC(C)N(CCOc1ccccc1C#N)C[C@@H](O)COc1ccccc1 ZINC000444803306 500903794 /nfs/dbraw/zinc/90/37/94/500903794.db2.gz PMXBRJWNXQDQSF-LJQANCHMSA-N 0 3 354.450 3.087 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)c1ccccn1 ZINC000602580844 506223430 /nfs/dbraw/zinc/22/34/30/506223430.db2.gz IIQYAGBNXYUYBY-ICSRJNTNSA-N 0 3 350.466 3.283 20 30 FGEDHN CC(C)N(CCOc1cccc(C#N)c1)C[C@@H](O)COc1ccccc1 ZINC000444812432 500906105 /nfs/dbraw/zinc/90/61/05/500906105.db2.gz MUMPUVQGGNSPDP-LJQANCHMSA-N 0 3 354.450 3.087 20 30 FGEDHN C=C(C)CS(=O)(=O)NCC1(CC)CCN(Cc2ccccc2)CC1 ZINC000435434300 500975614 /nfs/dbraw/zinc/97/56/14/500975614.db2.gz RQXUOZQOIPNKMC-UHFFFAOYSA-N 0 3 350.528 3.174 20 30 FGEDHN CC(C)Oc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Br ZINC000602600933 506227833 /nfs/dbraw/zinc/22/78/33/506227833.db2.gz PYTMLORNPLWAQC-ZDUSSCGKSA-N 0 3 354.248 3.196 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)[C@H](CC)CO)cc1OC ZINC000449377019 500989535 /nfs/dbraw/zinc/98/95/35/500989535.db2.gz RAQPEQJVIXVMBJ-CYBMUJFWSA-N 0 3 358.276 3.225 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000449547239 501029730 /nfs/dbraw/zinc/02/97/30/501029730.db2.gz HGIALGBJEDBQAF-CABCVRRESA-N 0 3 368.271 3.434 20 30 FGEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000441270762 501111334 /nfs/dbraw/zinc/11/13/34/501111334.db2.gz UYZKWSPIYXHYQU-VYDXJSESSA-N 0 3 361.511 3.424 20 30 FGEDHN C=C(C)COc1cc(CN[C@@]2(CO)C[C@H](OCC)C2(C)C)ccc1OC ZINC000436375645 501116182 /nfs/dbraw/zinc/11/61/82/501116182.db2.gz BCIWPJWDOXPZMT-PZJWPPBQSA-N 0 3 363.498 3.306 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441349875 501125514 /nfs/dbraw/zinc/12/55/14/501125514.db2.gz GNAUAYBLWFPILO-APWZRJJASA-N 0 3 354.498 3.351 20 30 FGEDHN C[S@](=O)C1(CNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000441386247 501131609 /nfs/dbraw/zinc/13/16/09/501131609.db2.gz UIFUYHVRIQUKQH-VWLOTQADSA-N 0 3 354.475 3.138 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(C#N)c1Br ZINC000450489074 501134654 /nfs/dbraw/zinc/13/46/54/501134654.db2.gz YYBWBUDREVYLDF-GFCCVEGCSA-N 0 3 364.287 3.123 20 30 FGEDHN C[C@@H](c1ccccc1)[C@@H](O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450219509 501213151 /nfs/dbraw/zinc/21/31/51/501213151.db2.gz WLUUHSCURPVIGL-CVDCTZTESA-N 0 3 363.505 3.231 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](c2ccncc2)C1 ZINC000451002106 501238161 /nfs/dbraw/zinc/23/81/61/501238161.db2.gz RZDGCYVZGUHNMD-LEWJYISDSA-N 0 3 352.478 3.429 20 30 FGEDHN N#CCc1ccc(CN2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1 ZINC000451029045 501240356 /nfs/dbraw/zinc/24/03/56/501240356.db2.gz QEZCHTBJZRJERQ-HXUWFJFHSA-N 0 3 362.477 3.401 20 30 FGEDHN CCN1CCN(c2ccccc2CNc2cnc(C#N)c(Cl)c2)CC1 ZINC000453053790 501259429 /nfs/dbraw/zinc/25/94/29/501259429.db2.gz URIMTNPCXDSYQN-UHFFFAOYSA-N 0 3 355.873 3.361 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)NCc2cccc(C#N)c2)N(C)C)cc1 ZINC000457670944 501283367 /nfs/dbraw/zinc/28/33/67/501283367.db2.gz KNSILMFVVYPCKK-IBGZPJMESA-N 0 3 368.506 3.382 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2ccccc21 ZINC000451413857 501287014 /nfs/dbraw/zinc/28/70/14/501287014.db2.gz HQNSBVFNKRZWPE-WMQCIHAUSA-N 0 3 365.477 3.363 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000455416685 501296682 /nfs/dbraw/zinc/29/66/82/501296682.db2.gz DCDBZEAFJFUQSZ-SXLOBPIMSA-N 0 3 357.498 3.026 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C12CCC2 ZINC000451479821 501302254 /nfs/dbraw/zinc/30/22/54/501302254.db2.gz NHYKPFIINVZRLG-YTQUADARSA-N 0 3 355.482 3.259 20 30 FGEDHN C=CCC1(CNC(=O)NC2CCN(CCOC(C)C)CC2)CCCC1 ZINC000455470390 501311740 /nfs/dbraw/zinc/31/17/40/501311740.db2.gz BCUTVXWGMTXFDF-UHFFFAOYSA-N 0 3 351.535 3.312 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@]2(Cc3cccc(Cl)c3)CCOC2)CC1 ZINC000455487418 501315758 /nfs/dbraw/zinc/31/57/58/501315758.db2.gz JXVXCSMGJFHTGD-HXUWFJFHSA-N 0 3 362.901 3.056 20 30 FGEDHN COc1ccc([C@@H](CCn2cncn2)NCc2ccc(C#N)c(F)c2)cc1 ZINC000453366286 501321013 /nfs/dbraw/zinc/32/10/13/501321013.db2.gz DCEZBHGELQNAOY-HXUWFJFHSA-N 0 3 365.412 3.219 20 30 FGEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453424401 501328650 /nfs/dbraw/zinc/32/86/50/501328650.db2.gz JEFHDQPELKSSAV-ZIFCJYIRSA-N 0 3 369.513 3.009 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCCC[C@H]1C(=O)OC ZINC000451591369 501331674 /nfs/dbraw/zinc/33/16/74/501331674.db2.gz DEPDTZDKNGWPIM-CABCVRRESA-N 0 3 362.495 3.225 20 30 FGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000451595519 501332854 /nfs/dbraw/zinc/33/28/54/501332854.db2.gz DEMLKHMNKJHESE-UHOSZYNNSA-N 0 3 371.481 3.033 20 30 FGEDHN C=C(C)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453461059 501338310 /nfs/dbraw/zinc/33/83/10/501338310.db2.gz FQHIOLBGKBJIKR-NRFANRHFSA-N 0 3 373.545 3.335 20 30 FGEDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451629866 501339798 /nfs/dbraw/zinc/33/97/98/501339798.db2.gz IAGDAGIUPYUYNT-DAXOMENPSA-N 0 3 361.511 3.373 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000451682473 501349673 /nfs/dbraw/zinc/34/96/73/501349673.db2.gz PKDYLTURYDICGI-WBVHZDCISA-N 0 3 373.478 3.080 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000451682378 501349943 /nfs/dbraw/zinc/34/99/43/501349943.db2.gz RJHSMGJEXDDZGT-FSSWDIPSSA-N 0 3 364.489 3.410 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000451682999 501350103 /nfs/dbraw/zinc/35/01/03/501350103.db2.gz QKNQFZYHXAPHGY-QAPCUYQASA-N 0 3 357.454 3.056 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)Nc2cccc(CC#N)c2)c1 ZINC000455911179 501413277 /nfs/dbraw/zinc/41/32/77/501413277.db2.gz DXELEJSYFMRIEK-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1F ZINC000458300440 501415440 /nfs/dbraw/zinc/41/54/40/501415440.db2.gz UVWVZJOFRLKRMS-KRWDZBQOSA-N 0 3 369.440 3.477 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)CN1CCCC1 ZINC000452099996 501434849 /nfs/dbraw/zinc/43/48/49/501434849.db2.gz YFEDNPGPFQOGFF-INIZCTEOSA-N 0 3 374.554 3.483 20 30 FGEDHN C=CCOc1c(Cl)cc(CNCC2([S@@](C)=O)CCC2)cc1OC ZINC000598975645 506255959 /nfs/dbraw/zinc/25/59/59/506255959.db2.gz PKABPSZDOINEAN-HSZRJFAPSA-N 0 3 357.903 3.304 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000454238783 501489403 /nfs/dbraw/zinc/48/94/03/501489403.db2.gz MXTCBTPUNIYULS-FQEVSTJZSA-N 0 3 366.440 3.334 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452978192 501595600 /nfs/dbraw/zinc/59/56/00/501595600.db2.gz QRLKBRLONFFFSE-TUNNFDKTSA-N 0 3 366.436 3.086 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)CSCC#N)CC1 ZINC000456793294 501599829 /nfs/dbraw/zinc/59/98/29/501599829.db2.gz QHRCEZKBSCDGFT-UHFFFAOYSA-N 0 3 353.875 3.008 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC(C)(C)CC#N ZINC000459250696 501619382 /nfs/dbraw/zinc/61/93/82/501619382.db2.gz AGANPOJVZLFLEN-UHFFFAOYSA-N 0 3 350.894 3.353 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)CN(C)C ZINC000459647599 501692733 /nfs/dbraw/zinc/69/27/33/501692733.db2.gz AMWYNIVEZQWBFK-NSHDSACASA-N 0 3 356.264 3.086 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000459760991 501709970 /nfs/dbraw/zinc/70/99/70/501709970.db2.gz MYBDPVUVYNHBLH-IAGOWNOFSA-N 0 3 361.873 3.134 20 30 FGEDHN COc1cnccc1N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000582519490 506270205 /nfs/dbraw/zinc/27/02/05/506270205.db2.gz NBKWCMZSLUYSHP-UHFFFAOYSA-N 0 3 373.254 3.051 20 30 FGEDHN CC[C@@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463504807 501745379 /nfs/dbraw/zinc/74/53/79/501745379.db2.gz AIDSIXZWJZLHTF-RTWAWAEBSA-N 0 3 371.525 3.434 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000463585198 501768843 /nfs/dbraw/zinc/76/88/43/501768843.db2.gz CSJBRYUSDKAJHB-QGZVFWFLSA-N 0 3 360.461 3.124 20 30 FGEDHN COc1cccc(CN(CCN(C)C)c2ncc(Cl)c(C)c2C#N)c1 ZINC000477722163 501768929 /nfs/dbraw/zinc/76/89/29/501768929.db2.gz SVYKORZQRCLBTE-UHFFFAOYSA-N 0 3 358.873 3.492 20 30 FGEDHN C=CCOCCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000470773149 501797604 /nfs/dbraw/zinc/79/76/04/501797604.db2.gz NFOQGRUHMGFTAP-UHFFFAOYSA-N 0 3 351.878 3.472 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460373947 501807711 /nfs/dbraw/zinc/80/77/11/501807711.db2.gz GLNOXQGRZRZVKB-DLBZAZTESA-N 0 3 369.513 3.449 20 30 FGEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485396858 501809656 /nfs/dbraw/zinc/80/96/56/501809656.db2.gz ZLUSRKNKOWWGNH-UHFFFAOYSA-N 0 3 356.401 3.280 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccnc(OC3CCCC3)c2)cc1 ZINC000470846243 501827030 /nfs/dbraw/zinc/82/70/30/501827030.db2.gz YZYHAEJCKWLXJF-IBGZPJMESA-N 0 3 374.444 3.273 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000470988917 501883944 /nfs/dbraw/zinc/88/39/44/501883944.db2.gz KGPYABYQWFGVHZ-CJNGLKHVSA-N 0 3 353.372 3.439 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C[C@@H]1C ZINC000460848894 501937447 /nfs/dbraw/zinc/93/74/47/501937447.db2.gz LCGSLSAPLFQQIY-IRXDYDNUSA-N 0 3 366.513 3.392 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460941606 501965214 /nfs/dbraw/zinc/96/52/14/501965214.db2.gz XNWASPXRAPTGLN-QGZVFWFLSA-N 0 3 357.527 3.179 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCC(=O)Nc1cccc(C#N)c1 ZINC000482149412 501990165 /nfs/dbraw/zinc/99/01/65/501990165.db2.gz JKDHXIADYLXKIP-NRFANRHFSA-N 0 3 364.493 3.243 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2ccnn2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464461701 501996990 /nfs/dbraw/zinc/99/69/90/501996990.db2.gz MXGHBZMVBCZFKL-AWEZNQCLSA-N 0 3 357.295 3.171 20 30 FGEDHN C=C(C)COc1cc(CN2CCC([C@H](C)NC(C)=O)CC2)ccc1OC ZINC000482506955 502092509 /nfs/dbraw/zinc/09/25/09/502092509.db2.gz QFHZNNDFOCQUCC-INIZCTEOSA-N 0 3 360.498 3.387 20 30 FGEDHN C=C(CNC(=O)NCc1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000478834107 502100112 /nfs/dbraw/zinc/10/01/12/502100112.db2.gz IGJJXPDJMBTRBB-UHFFFAOYSA-N 0 3 353.466 3.140 20 30 FGEDHN C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)N1CCCCCC1 ZINC000468625742 502129314 /nfs/dbraw/zinc/12/93/14/502129314.db2.gz UNBHUFADXFTVLJ-CZUORRHYSA-N 0 3 364.287 3.394 20 30 FGEDHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1[C@@H]1COc2ccccc2O1 ZINC000479201125 502191581 /nfs/dbraw/zinc/19/15/81/502191581.db2.gz AINOFQYDGDMHDD-CJNGLKHVSA-N 0 3 360.483 3.019 20 30 FGEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468924668 502231522 /nfs/dbraw/zinc/23/15/22/502231522.db2.gz JXCOZDFYPDBIQX-OAGGEKHMSA-N 0 3 366.465 3.309 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000479352734 502233043 /nfs/dbraw/zinc/23/30/43/502233043.db2.gz YDQLCLAMZMEVSZ-IAGOWNOFSA-N 0 3 363.502 3.123 20 30 FGEDHN CN(C)C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000588673698 506302054 /nfs/dbraw/zinc/30/20/54/506302054.db2.gz YCAFCEHOKOMTLX-SFHVURJKSA-N 0 3 374.847 3.453 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475755870 502281807 /nfs/dbraw/zinc/28/18/07/502281807.db2.gz PAPCQGSKTGIHGJ-LJQANCHMSA-N 0 3 350.466 3.059 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000465547862 502302163 /nfs/dbraw/zinc/30/21/63/502302163.db2.gz QLGHKHXGTOKTCJ-RLLQIKCJSA-N 0 3 354.498 3.342 20 30 FGEDHN C[C@H]1CCN(C(=O)NCC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000465585645 502316246 /nfs/dbraw/zinc/31/62/46/502316246.db2.gz SAQWPDLHUAUDFL-FQEVSTJZSA-N 0 3 361.489 3.344 20 30 FGEDHN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472331744 502319051 /nfs/dbraw/zinc/31/90/51/502319051.db2.gz YDMMFZXYIZWUMR-KDOFPFPSSA-N 0 3 363.392 3.157 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2csc(-c3ccco3)n2)cc1 ZINC000472347968 502323488 /nfs/dbraw/zinc/32/34/88/502323488.db2.gz HYTVXCYZOXAJPQ-HNNXBMFYSA-N 0 3 362.414 3.273 20 30 FGEDHN C[C@@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000462252876 502368420 /nfs/dbraw/zinc/36/84/20/502368420.db2.gz LOCATPMAZMKBRB-SJORKVTESA-N 0 3 362.477 3.399 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000483472223 502402118 /nfs/dbraw/zinc/40/21/18/502402118.db2.gz GNOVQJMXRMIICO-NYTXWWLZSA-N 0 3 363.483 3.319 20 30 FGEDHN C=CCOc1c(Br)cc(CNCCC(C)(C)O)cc1OC ZINC000479889849 502410227 /nfs/dbraw/zinc/41/02/27/502410227.db2.gz WFSKBQXOYIKOLY-UHFFFAOYSA-N 0 3 358.276 3.273 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000469522818 502450902 /nfs/dbraw/zinc/45/09/02/502450902.db2.gz YRTYTVWBKWNJOS-UHFFFAOYSA-N 0 3 366.440 3.087 20 30 FGEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000483685671 502462943 /nfs/dbraw/zinc/46/29/43/502462943.db2.gz PICXGPGBYLSMOU-ZWKOTPCHSA-N 0 3 363.889 3.442 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000469652516 502492908 /nfs/dbraw/zinc/49/29/08/502492908.db2.gz QMDALPSBSNQDDF-AZUAARDMSA-N 0 3 352.409 3.498 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cnccn1 ZINC000466479129 502582441 /nfs/dbraw/zinc/58/24/41/502582441.db2.gz QFAMWMSQKMQFSI-OAHLLOKOSA-N 0 3 358.515 3.136 20 30 FGEDHN Cc1cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)ccc1C#N ZINC000488233763 502665676 /nfs/dbraw/zinc/66/56/76/502665676.db2.gz PSDKHVKQUNYQQE-UHFFFAOYSA-N 0 3 354.498 3.463 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@](F)(C#N)C2)N(C)C)cc1 ZINC000588756920 506327441 /nfs/dbraw/zinc/32/74/41/506327441.db2.gz YHTQTJANNRBOOZ-ICSRJNTNSA-N 0 3 360.477 3.135 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466778880 502674720 /nfs/dbraw/zinc/67/47/20/502674720.db2.gz QZGSIQWTUOSWQH-OXQOHEQNSA-N 0 3 354.498 3.209 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1 ZINC000481030042 502733944 /nfs/dbraw/zinc/73/39/44/502733944.db2.gz DJEBVCZVDYCESV-UKRRQHHQSA-N 0 3 363.483 3.415 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Cc3ccccc3F)CC2)CC1 ZINC000477478398 502784165 /nfs/dbraw/zinc/78/41/65/502784165.db2.gz FYUCARKPIPRHMI-UHFFFAOYSA-N 0 3 359.489 3.440 20 30 FGEDHN N#Cc1cccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000504889264 502819538 /nfs/dbraw/zinc/81/95/38/502819538.db2.gz ULGFAIXKSUATAE-IBGZPJMESA-N 0 3 369.415 3.332 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(-c2ccc(C)cc2)nn1)C(C)C ZINC000513015742 502831701 /nfs/dbraw/zinc/83/17/01/502831701.db2.gz ZJHKEDNRRCNDIS-HXUWFJFHSA-N 0 3 367.497 3.004 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000505039951 502844072 /nfs/dbraw/zinc/84/40/72/502844072.db2.gz RREGWOVSQHMKHD-SFHVURJKSA-N 0 3 370.541 3.437 20 30 FGEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000513124910 502857941 /nfs/dbraw/zinc/85/79/41/502857941.db2.gz YDMPYFNUFGADOE-UHFFFAOYSA-N 0 3 353.397 3.315 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000513191079 502873731 /nfs/dbraw/zinc/87/37/31/502873731.db2.gz DDKBZRJHDWUQNK-UHFFFAOYSA-N 0 3 374.444 3.417 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000489326470 502930172 /nfs/dbraw/zinc/93/01/72/502930172.db2.gz IXWBCDITRCPXFO-IBGZPJMESA-N 0 3 370.541 3.209 20 30 FGEDHN CCN1CCC[C@@H](CN(C)c2ccc(F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000509622963 502951455 /nfs/dbraw/zinc/95/14/55/502951455.db2.gz DOWYGIQHDPTZGN-MGPUTAFESA-N 0 3 355.461 3.340 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000497408802 502951910 /nfs/dbraw/zinc/95/19/10/502951910.db2.gz YYTFCOFLJUXJTK-LJQANCHMSA-N 0 3 355.482 3.193 20 30 FGEDHN CN(C)CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CC1 ZINC000505653872 502959343 /nfs/dbraw/zinc/95/93/43/502959343.db2.gz CCLDLLUAYMEQRV-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000501227781 502961951 /nfs/dbraw/zinc/96/19/51/502961951.db2.gz NLPDAVBOXCMBIJ-KRWDZBQOSA-N 0 3 357.498 3.296 20 30 FGEDHN N#Cc1ccc(C2CCN(C[C@@H]3CN(c4ccccc4)CCO3)CC2)nc1 ZINC000602905075 506344806 /nfs/dbraw/zinc/34/48/06/506344806.db2.gz CRGHVRWAKQCJCK-OAQYLSRUSA-N 0 3 362.477 3.038 20 30 FGEDHN C=CCCCS(=O)(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000489573595 502989274 /nfs/dbraw/zinc/98/92/74/502989274.db2.gz QCESVEMAUHRQHH-HXUWFJFHSA-N 0 3 362.539 3.271 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000505833689 502996144 /nfs/dbraw/zinc/99/61/44/502996144.db2.gz UTGZRWYIPXROLN-SJORKVTESA-N 0 3 357.498 3.123 20 30 FGEDHN Cc1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cn12 ZINC000509898330 503007254 /nfs/dbraw/zinc/00/72/54/503007254.db2.gz JAPISZMTYIQRDE-GFCCVEGCSA-N 0 3 366.331 3.273 20 30 FGEDHN N#Cc1ccc(C2CCN(CCc3nc(-c4ccccc4)no3)CC2)nc1 ZINC000602909757 506347743 /nfs/dbraw/zinc/34/77/43/506347743.db2.gz NVCQCVCDCOOUGY-UHFFFAOYSA-N 0 3 359.433 3.425 20 30 FGEDHN COc1cc(CN2CC[C@H]([C@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000506036529 503033924 /nfs/dbraw/zinc/03/39/24/503033924.db2.gz NHXDAGKUFKPVNJ-JXFKEZNVSA-N 0 3 366.461 3.349 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000513859545 503038120 /nfs/dbraw/zinc/03/81/20/503038120.db2.gz MWAOBSFMJKTJIC-DZOHQFGASA-N 0 3 360.523 3.198 20 30 FGEDHN C=CCn1cccc1C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000489949571 503073779 /nfs/dbraw/zinc/07/37/79/503073779.db2.gz AJRWDGKCBSHKEE-UHFFFAOYSA-N 0 3 353.466 3.425 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000501856046 503094953 /nfs/dbraw/zinc/09/49/53/503094953.db2.gz IDGMVOSQJHDGBQ-KRWDZBQOSA-N 0 3 359.518 3.202 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1coc(C2CCCC2)n1 ZINC000510479111 503123316 /nfs/dbraw/zinc/12/33/16/503123316.db2.gz YZVWEWHYHRGFKO-UHFFFAOYSA-N 0 3 366.465 3.408 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000498199844 503129084 /nfs/dbraw/zinc/12/90/84/503129084.db2.gz ZRWAEVSXIXANEB-LJQANCHMSA-N 0 3 352.438 3.300 20 30 FGEDHN N#Cc1cn(C[C@H]2CN(Cc3ccccc3)CCCO2)c(=O)c2ccccc12 ZINC000596314771 506354298 /nfs/dbraw/zinc/35/42/98/506354298.db2.gz PWNFANAAXYWMKV-HXUWFJFHSA-N 0 3 373.456 3.164 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CCO)C(C)C)cc1OC ZINC000506752290 503165902 /nfs/dbraw/zinc/16/59/02/503165902.db2.gz LMGBLUQNCKIPRK-UHFFFAOYSA-N 0 3 358.276 3.225 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(-c2ccccc2)n1)C(C)C ZINC000498358776 503167011 /nfs/dbraw/zinc/16/70/11/503167011.db2.gz HMVWOLQLKHOSTA-FQEVSTJZSA-N 0 3 352.482 3.301 20 30 FGEDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000498363638 503169528 /nfs/dbraw/zinc/16/95/28/503169528.db2.gz KVNMOXXDDQYGMQ-LEWJYISDSA-N 0 3 363.461 3.142 20 30 FGEDHN C[C@H]1CCCN(CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000507116778 503233930 /nfs/dbraw/zinc/23/39/30/503233930.db2.gz RSXIHZHVMPBYFB-ZDUSSCGKSA-N 0 3 360.408 3.274 20 30 FGEDHN CC[C@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000511014397 503235855 /nfs/dbraw/zinc/23/58/55/503235855.db2.gz KDTKNZGHBNKWPV-CTNGQTDRSA-N 0 3 363.461 3.279 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000511233835 503284869 /nfs/dbraw/zinc/28/48/69/503284869.db2.gz YFFGRCVAOXEECI-OAHLLOKOSA-N 0 3 373.334 3.297 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C ZINC000498922843 503294317 /nfs/dbraw/zinc/29/43/17/503294317.db2.gz FEUWHWSGGYJHRT-IXDOHACOSA-N 0 3 374.554 3.434 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000515328289 503315869 /nfs/dbraw/zinc/31/58/69/503315869.db2.gz QVOSUGAZFLAJRE-KSSFIOAISA-N 0 3 352.413 3.482 20 30 FGEDHN COC(=O)C(C)(C)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000499219112 503357828 /nfs/dbraw/zinc/35/78/28/503357828.db2.gz OMKQPBGWAYZVEZ-UHFFFAOYSA-N 0 3 352.434 3.426 20 30 FGEDHN N#Cc1ccccc1OCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503259849 503379395 /nfs/dbraw/zinc/37/93/95/503379395.db2.gz AONKHWCPOPEHLB-FQEVSTJZSA-N 0 3 359.429 3.130 20 30 FGEDHN Cc1ccc(C2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)cn1 ZINC000611941915 506368855 /nfs/dbraw/zinc/36/88/55/506368855.db2.gz CCZZZANIVPNWHJ-NRFANRHFSA-N 0 3 365.477 3.075 20 30 FGEDHN C=CCN1CC[C@@H](N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1=O ZINC000499605352 503440795 /nfs/dbraw/zinc/44/07/95/503440795.db2.gz YVISHBXNYQUHAH-RTWAWAEBSA-N 0 3 368.452 3.495 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCc1cccc(C#N)c1)N(C)C ZINC000503900381 503485472 /nfs/dbraw/zinc/48/54/72/503485472.db2.gz HBDALPMSKDZBCF-UTKZUKDTSA-N 0 3 364.493 3.400 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000516297864 503490179 /nfs/dbraw/zinc/49/01/79/503490179.db2.gz QZHRBQKIQWRXQY-KRWDZBQOSA-N 0 3 364.449 3.420 20 30 FGEDHN CN1C(=O)C[C@@H](NCCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000494224380 503506392 /nfs/dbraw/zinc/50/63/92/503506392.db2.gz SMWSUVQBHYOTII-QUCCMNQESA-N 0 3 369.852 3.152 20 30 FGEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000508505991 503507418 /nfs/dbraw/zinc/50/74/18/503507418.db2.gz DJVKEVRWFOBSRG-VLOYRQLPSA-N 0 3 373.545 3.262 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000504020292 503511292 /nfs/dbraw/zinc/51/12/92/503511292.db2.gz KWMNKVKPSXPGNQ-CALCHBBNSA-N 0 3 357.498 3.123 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000508569139 503521220 /nfs/dbraw/zinc/52/12/20/503521220.db2.gz MUONTBLBQUCERT-IRXDYDNUSA-N 0 3 367.415 3.427 20 30 FGEDHN CC(C)CN1CCO[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689522 503569521 /nfs/dbraw/zinc/56/95/21/503569521.db2.gz HAOMPNHOOUTBAG-INIZCTEOSA-N 0 3 355.404 3.023 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000588913504 506379489 /nfs/dbraw/zinc/37/94/89/506379489.db2.gz WEYVQWKUXMISPS-IERDGZPVSA-N 0 3 362.477 3.365 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000494703448 503596741 /nfs/dbraw/zinc/59/67/41/503596741.db2.gz NCOYHAKOCBBRPB-HXUWFJFHSA-N 0 3 370.541 3.339 20 30 FGEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495046843 503651779 /nfs/dbraw/zinc/65/17/79/503651779.db2.gz KLAGJTDWRPZHFK-UTKZUKDTSA-N 0 3 373.518 3.262 20 30 FGEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495046839 503652122 /nfs/dbraw/zinc/65/21/22/503652122.db2.gz KLAGJTDWRPZHFK-DYESRHJHSA-N 0 3 373.518 3.262 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc3ccccc3n2C2CC2)cc1 ZINC000527069946 503667534 /nfs/dbraw/zinc/66/75/34/503667534.db2.gz CGKFKRFHFOWPJU-KRWDZBQOSA-N 0 3 369.428 3.242 20 30 FGEDHN COCCN(CCN(C)C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000517114857 503672987 /nfs/dbraw/zinc/67/29/87/503672987.db2.gz APQJDYWMQSWQKY-UHFFFAOYSA-N 0 3 365.477 3.128 20 30 FGEDHN C[C@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)Oc1ccc(Cl)cc1 ZINC000517127921 503674177 /nfs/dbraw/zinc/67/41/77/503674177.db2.gz RNQHKHYANMPGPE-CRAIPNDOSA-N 0 3 374.868 3.203 20 30 FGEDHN C[C@@]1(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO[C@@H]1C1CC1 ZINC000543239652 503693271 /nfs/dbraw/zinc/69/32/71/503693271.db2.gz RGCJUTITVKPEBD-UYAOXDASSA-N 0 3 373.522 3.374 20 30 FGEDHN C=CCN1CCC(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 ZINC000517304579 503710216 /nfs/dbraw/zinc/71/02/16/503710216.db2.gz MGHWMUHGSGDMMO-UHFFFAOYSA-N 0 3 363.527 3.421 20 30 FGEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1F ZINC000517442150 503746764 /nfs/dbraw/zinc/74/67/64/503746764.db2.gz MFZQBXJRFWCYFD-SFHVURJKSA-N 0 3 352.413 3.483 20 30 FGEDHN CCN(CC(=O)NC1(C#N)CCCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517530440 503764963 /nfs/dbraw/zinc/76/49/63/503764963.db2.gz QHXQLNWMLQPHOJ-KRWDZBQOSA-N 0 3 357.498 3.291 20 30 FGEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000537022466 503780286 /nfs/dbraw/zinc/78/02/86/503780286.db2.gz MJHFHDIUXUUCLV-FUHWJXTLSA-N 0 3 354.450 3.436 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000537059825 503791487 /nfs/dbraw/zinc/79/14/87/503791487.db2.gz BAJDOPZVFRKHII-HNNXBMFYSA-N 0 3 371.403 3.394 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000530234009 503886051 /nfs/dbraw/zinc/88/60/51/503886051.db2.gz MTQUVYVBFGVMOT-BEFAXECRSA-N 0 3 358.388 3.243 20 30 FGEDHN COC[C@@]1(NCc2cccc(OCCCC#N)c2)COc2ccccc2C1 ZINC000527800567 503949872 /nfs/dbraw/zinc/94/98/72/503949872.db2.gz OEGLMBKFKQLEEN-JOCHJYFZSA-N 0 3 366.461 3.479 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cn2c(cccc2C)n1)C(C)C ZINC000537595949 503967547 /nfs/dbraw/zinc/96/75/47/503967547.db2.gz DZXBMGFCETUJFB-LJQANCHMSA-N 0 3 369.513 3.141 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000530525271 503998179 /nfs/dbraw/zinc/99/81/79/503998179.db2.gz OGBHJWFBOQDRFK-RTBURBONSA-N 0 3 366.427 3.290 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2csc(Br)c2)CC1 ZINC000518513123 504005061 /nfs/dbraw/zinc/00/50/61/504005061.db2.gz QXJHVYDUUWMKJJ-UHFFFAOYSA-N 0 3 372.332 3.350 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000530551502 504006560 /nfs/dbraw/zinc/00/65/60/504006560.db2.gz AUPHRWUATJUSSL-INIZCTEOSA-N 0 3 357.498 3.078 20 30 FGEDHN C=C[C@@H](CC(=O)N1CC[C@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000533987623 504010328 /nfs/dbraw/zinc/01/03/28/504010328.db2.gz OUULJTOWAYYNEB-FPOVZHCZSA-N 0 3 356.510 3.450 20 30 FGEDHN Cc1nc(SCC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c(C#N)c(C)c1C ZINC000518598958 504024922 /nfs/dbraw/zinc/02/49/22/504024922.db2.gz IELXSLFLUCWIGD-OKILXGFUSA-N 0 3 374.554 3.350 20 30 FGEDHN N#Cc1csc(CNC[C@H](CO)Cc2ccccc2OC(F)(F)F)c1 ZINC000530640286 504036514 /nfs/dbraw/zinc/03/65/14/504036514.db2.gz HTMUYPAMWHSTNH-CYBMUJFWSA-N 0 3 370.396 3.459 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000530911024 504127328 /nfs/dbraw/zinc/12/73/28/504127328.db2.gz IICBVPLSFCHTRR-NRFANRHFSA-N 0 3 365.477 3.309 20 30 FGEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc2ccccc2s1 ZINC000538097522 504131509 /nfs/dbraw/zinc/13/15/09/504131509.db2.gz IRRXAJDIPZHCPY-GFCCVEGCSA-N 0 3 351.387 3.329 20 30 FGEDHN C=CCN(CC=C)[C@H](CNc1cc(C)nc(-c2ccccn2)n1)C(C)C ZINC000519220998 504168251 /nfs/dbraw/zinc/16/82/51/504168251.db2.gz CSSYLPFHFMYFNH-LJQANCHMSA-N 0 3 351.498 3.379 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000528351958 504182707 /nfs/dbraw/zinc/18/27/07/504182707.db2.gz JYAYSDUEGSRSTF-VQTJNVASSA-N 0 3 354.425 3.144 20 30 FGEDHN Cc1ccc(OC2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)cc1 ZINC000528380454 504197607 /nfs/dbraw/zinc/19/76/07/504197607.db2.gz FIGIJOOGMMKBKW-LJQANCHMSA-N 0 3 366.461 3.150 20 30 FGEDHN N#CC(C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1nc2ccccc2[nH]1 ZINC000531200458 504225599 /nfs/dbraw/zinc/22/55/99/504225599.db2.gz OJNPEBHDSIWDRY-INIZCTEOSA-N 0 3 372.359 3.343 20 30 FGEDHN CN(C[C@@H](O)COc1ccccc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000528505394 504252042 /nfs/dbraw/zinc/25/20/42/504252042.db2.gz CENAINBWBQUHDO-OAGGEKHMSA-N 0 3 356.388 3.351 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C)cc1Br ZINC000519580728 504260726 /nfs/dbraw/zinc/26/07/26/504260726.db2.gz HELAVCCPFBONKC-CABCVRRESA-N 0 3 353.260 3.019 20 30 FGEDHN C[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCc2ccc(F)cc21 ZINC000528533732 504263504 /nfs/dbraw/zinc/26/35/04/504263504.db2.gz NLUYWSYTXYKZJO-HNAYVOBHSA-N 0 3 354.425 3.099 20 30 FGEDHN Cc1nc(SCC(=O)Nc2ccc3c(c2)CNCC3)c(C#N)c(C)c1C ZINC000519608566 504271681 /nfs/dbraw/zinc/27/16/81/504271681.db2.gz ILWCLQNHWXBLNS-UHFFFAOYSA-N 0 3 366.490 3.255 20 30 FGEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000541921536 504301754 /nfs/dbraw/zinc/30/17/54/504301754.db2.gz LLRKTEKTCLAMSS-MRXNPFEDSA-N 0 3 373.497 3.066 20 30 FGEDHN C=CC[C@@H](CC)NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000538615052 504303981 /nfs/dbraw/zinc/30/39/81/504303981.db2.gz MRGYTOYIGOXYHZ-LJQANCHMSA-N 0 3 358.530 3.243 20 30 FGEDHN CNCc1cccc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528693813 504334375 /nfs/dbraw/zinc/33/43/75/504334375.db2.gz CZKSROQXHGZASR-UHFFFAOYSA-N 0 3 364.449 3.105 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000531587795 504355833 /nfs/dbraw/zinc/35/58/33/504355833.db2.gz CWSXWYQFWZZVMN-QGZVFWFLSA-N 0 3 369.509 3.374 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H](C)C[C@@H](C)O)cc1OC ZINC000542135025 504375154 /nfs/dbraw/zinc/37/51/54/504375154.db2.gz PFTMZIGDWUJDDM-VXGBXAGGSA-N 0 3 358.276 3.272 20 30 FGEDHN C=CCCOCCNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000535252809 504383658 /nfs/dbraw/zinc/38/36/58/504383658.db2.gz QHYHTGLGPQQUHT-HXUWFJFHSA-N 0 3 359.514 3.352 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000545193887 504391516 /nfs/dbraw/zinc/39/15/16/504391516.db2.gz SZJSLVZVQYKUPE-LAUBAEHRSA-N 0 3 359.473 3.227 20 30 FGEDHN N#Cc1cccc(CNCCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000531702435 504397177 /nfs/dbraw/zinc/39/71/77/504397177.db2.gz VDUGZYYGACKEOT-UHFFFAOYSA-N 0 3 354.885 3.123 20 30 FGEDHN CN1C[C@@H]2CCCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)[C@@H]2C1 ZINC000520220719 504439325 /nfs/dbraw/zinc/43/93/25/504439325.db2.gz LEGAMQSKYULEKI-GHTZIAJQSA-N 0 3 360.461 3.468 20 30 FGEDHN CCN(C[C@H]1CCCN1CC)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000548453945 504452634 /nfs/dbraw/zinc/45/26/34/504452634.db2.gz URKKVDIDASRZRF-GOSISDBHSA-N 0 3 373.497 3.059 20 30 FGEDHN CC(C)C[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000539241951 504509600 /nfs/dbraw/zinc/50/96/00/504509600.db2.gz OJPQXYMOETZFRA-SFTDATJTSA-N 0 3 370.541 3.056 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H]2c2cccc(OCC)c2)CC1 ZINC000539391165 504553662 /nfs/dbraw/zinc/55/36/62/504553662.db2.gz LYTLPUDBKSDISY-PMACEKPBSA-N 0 3 357.498 3.281 20 30 FGEDHN C=CC[C@@H](CC)NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000539669188 504646232 /nfs/dbraw/zinc/64/62/32/504646232.db2.gz ACVLRGUGTWVWBZ-WOJBJXKFSA-N 0 3 358.530 3.019 20 30 FGEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)cc1OC ZINC000532503207 504672880 /nfs/dbraw/zinc/67/28/80/504672880.db2.gz OXKZUSYOVZFALY-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000543079450 504715549 /nfs/dbraw/zinc/71/55/49/504715549.db2.gz HUODDFAHDMDRNI-GJZGRUSLSA-N 0 3 365.433 3.413 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc1 ZINC000521590306 504761362 /nfs/dbraw/zinc/76/13/62/504761362.db2.gz VPQZUWCGIVQMFW-GOSISDBHSA-N 0 3 370.403 3.022 20 30 FGEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000553054503 504815278 /nfs/dbraw/zinc/81/52/78/504815278.db2.gz JVLIVFBOOIHZFA-FPOVZHCZSA-N 0 3 367.449 3.019 20 30 FGEDHN CCCN(Cc1ccc(C#N)cn1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000565340295 504857866 /nfs/dbraw/zinc/85/78/66/504857866.db2.gz VLNPMIHVABXDCY-UHFFFAOYSA-N 0 3 362.477 3.470 20 30 FGEDHN Cc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)N2CCCC2)o1 ZINC000553379266 504898053 /nfs/dbraw/zinc/89/80/53/504898053.db2.gz TZTMADWPIDAFRX-INIZCTEOSA-N 0 3 355.398 3.199 20 30 FGEDHN COC1(CCN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCC1 ZINC000549796605 504899714 /nfs/dbraw/zinc/89/97/14/504899714.db2.gz FDVQNLRFHDGAOU-UHFFFAOYSA-N 0 3 350.466 3.188 20 30 FGEDHN C=CC[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(I)cc1 ZINC000556607666 504919616 /nfs/dbraw/zinc/91/96/16/504919616.db2.gz APNHEWLHWXPQCF-NWDGAFQWSA-N 0 3 372.250 3.420 20 30 FGEDHN C[C@@H](Cn1cc(Br)ccc1=O)NC1(c2cccc(C#N)c2)CC1 ZINC000559916480 504949853 /nfs/dbraw/zinc/94/98/53/504949853.db2.gz RJABXAATPKDYSJ-ZDUSSCGKSA-N 0 3 372.266 3.150 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC23CCC(CC2)CC3)cc1 ZINC000562882121 504974905 /nfs/dbraw/zinc/97/49/05/504974905.db2.gz IPSHSLFQMLRGLC-VNSJNIRKSA-N 0 3 361.467 3.217 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000550167414 504983423 /nfs/dbraw/zinc/98/34/23/504983423.db2.gz NCRHVSZAGYIMCE-RBUKOAKNSA-N 0 3 373.460 3.208 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000550275118 505010390 /nfs/dbraw/zinc/01/03/90/505010390.db2.gz RZMMHHWMBWLVIG-QGZVFWFLSA-N 0 3 362.489 3.320 20 30 FGEDHN N#CC(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccncn1 ZINC000554010553 505067266 /nfs/dbraw/zinc/06/72/66/505067266.db2.gz DQSQHLCGCNIVGO-NSHDSACASA-N 0 3 359.267 3.035 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000560507555 505108255 /nfs/dbraw/zinc/10/82/55/505108255.db2.gz ZDQHYISMLGVZQM-UHFFFAOYSA-N 0 3 351.425 3.369 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)NCCN1CCCC[C@H]1CC)c1ccccc1 ZINC000554233898 505122049 /nfs/dbraw/zinc/12/20/49/505122049.db2.gz UZAGJNZJYRHTEA-WOJBJXKFSA-N 0 3 371.525 3.191 20 30 FGEDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000551267605 505189097 /nfs/dbraw/zinc/18/90/97/505189097.db2.gz FVUPSJYSCOKUPZ-CHWSQXEVSA-N 0 3 360.255 3.222 20 30 FGEDHN C=CCC[C@H](C)NCC(=O)Nc1ccc(I)cc1 ZINC000563611761 505192071 /nfs/dbraw/zinc/19/20/71/505192071.db2.gz FMNQYSKXIUJQFB-NSHDSACASA-N 0 3 358.223 3.174 20 30 FGEDHN CN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(OCCN2CCCC2)cc1 ZINC000551299928 505196205 /nfs/dbraw/zinc/19/62/05/505196205.db2.gz ZYKBHRVTZJSGSZ-UHFFFAOYSA-N 0 3 367.424 3.449 20 30 FGEDHN C[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000560846913 505201162 /nfs/dbraw/zinc/20/11/62/505201162.db2.gz GLVGSUBOSPACBO-OAHLLOKOSA-N 0 3 352.400 3.295 20 30 FGEDHN C=C(C)Cn1c(CC)nnc1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000563861243 505260346 /nfs/dbraw/zinc/26/03/46/505260346.db2.gz MTQBKKBIVNTUII-GOSISDBHSA-N 0 3 353.514 3.375 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)N1CCCC1 ZINC000557936441 505267107 /nfs/dbraw/zinc/26/71/07/505267107.db2.gz IMFCIIXWKYXCJO-QGZVFWFLSA-N 0 3 363.461 3.351 20 30 FGEDHN CN(CCCN(C)C(=O)CSc1ccc(C#N)cc1)Cc1ccncc1 ZINC000558060356 505298720 /nfs/dbraw/zinc/29/87/20/505298720.db2.gz GKOFQZDUYMEJRK-UHFFFAOYSA-N 0 3 368.506 3.026 20 30 FGEDHN CC[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCN1Cc1ccccc1 ZINC000561268154 505299350 /nfs/dbraw/zinc/29/93/50/505299350.db2.gz DQWWYXAUFQHWLI-KRWDZBQOSA-N 0 3 365.437 3.149 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CCC)C2CCCCC2)CC1 ZINC000561295939 505307676 /nfs/dbraw/zinc/30/76/76/505307676.db2.gz UNGIJWJDKFYCKU-LJQANCHMSA-N 0 3 363.546 3.008 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)N1[C@H](C)CC[C@H]1C ZINC000561306576 505310279 /nfs/dbraw/zinc/31/02/79/505310279.db2.gz DVNYKEJBUFLIKY-OAGGEKHMSA-N 0 3 373.472 3.328 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000561373150 505328931 /nfs/dbraw/zinc/32/89/31/505328931.db2.gz YTUNTQKPHWHKKT-DYESRHJHSA-N 0 3 359.473 3.369 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(F)c2ccccc21 ZINC000561387634 505332840 /nfs/dbraw/zinc/33/28/40/505332840.db2.gz WXGWATHCZJCOJS-HNNXBMFYSA-N 0 3 352.413 3.285 20 30 FGEDHN N#Cc1cccc(OCCN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000564160280 505341667 /nfs/dbraw/zinc/34/16/67/505341667.db2.gz IMXRHPAXOCQSQN-NRFANRHFSA-N 0 3 354.425 3.003 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000552034408 505377006 /nfs/dbraw/zinc/37/70/06/505377006.db2.gz SUKIWWQFIGTTCL-RDTXWAMCSA-N 0 3 358.825 3.065 20 30 FGEDHN C=CCn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000558454684 505394075 /nfs/dbraw/zinc/39/40/75/505394075.db2.gz KHZAEIRLVAIUHZ-UHFFFAOYSA-N 0 3 374.492 3.238 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000564403878 505410103 /nfs/dbraw/zinc/41/01/03/505410103.db2.gz TXUVRNVISNWYLZ-HLAWJBBLSA-N 0 3 357.494 3.188 20 30 FGEDHN CCN(CC)[C@H](CNc1cc(C#N)ncn1)c1ccc(C(F)(F)F)cc1 ZINC000567446610 505466010 /nfs/dbraw/zinc/46/60/10/505466010.db2.gz GKPVHWMIZUBUNH-MRXNPFEDSA-N 0 3 363.387 3.284 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000564658121 505485252 /nfs/dbraw/zinc/48/52/52/505485252.db2.gz ZQVDXZAFUVSPNX-GOSISDBHSA-N 0 3 357.413 3.020 20 30 FGEDHN Cc1cccnc1OC1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000555669949 505489468 /nfs/dbraw/zinc/48/94/68/505489468.db2.gz UTLWQFIAIGSADU-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN C=CCn1c(CCCc2cccs2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000562033209 505496612 /nfs/dbraw/zinc/49/66/12/505496612.db2.gz RKXMJCXNDWGREO-QGZVFWFLSA-N 0 3 371.554 3.374 20 30 FGEDHN CN1CCC[C@@H](NC[C@@H](O)COc2ccc(CC#N)cc2)c2ccccc21 ZINC000567686760 505536768 /nfs/dbraw/zinc/53/67/68/505536768.db2.gz BRZOVRLIIYTWQN-WIYYLYMNSA-N 0 3 365.477 3.053 20 30 FGEDHN COc1cncc(/C=C/CCN2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000564910317 505555905 /nfs/dbraw/zinc/55/59/05/505555905.db2.gz LPPCMXWWNNECQG-DUXPYHPUSA-N 0 3 362.477 3.183 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]2Cc2ccccc2Cl)CCOCC1 ZINC000599271111 506392785 /nfs/dbraw/zinc/39/27/85/506392785.db2.gz UTUMVKHWQXANGK-MSOLQXFVSA-N 0 3 362.901 3.418 20 30 FGEDHN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)CCC(=O)N(C)CCC#N ZINC000593106015 506396643 /nfs/dbraw/zinc/39/66/43/506396643.db2.gz VHBZPHDAKJVJHQ-INIZCTEOSA-N 0 3 363.889 3.420 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000608070651 506406811 /nfs/dbraw/zinc/40/68/11/506406811.db2.gz FLVKSTKDTUUFMT-HJNYFJLDSA-N 0 3 362.473 3.498 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H](CC#N)C3)c(C)c2)CC1 ZINC000596447731 506409204 /nfs/dbraw/zinc/40/92/04/506409204.db2.gz QZFRURCWTIOFQN-SFHVURJKSA-N 0 3 369.513 3.295 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000599347675 506421624 /nfs/dbraw/zinc/42/16/24/506421624.db2.gz HUVTVKATJHYGIY-CJNGLKHVSA-N 0 3 362.376 3.250 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)N2Cc3cccc(C#N)c3C2)c1 ZINC000593144363 506421925 /nfs/dbraw/zinc/42/19/25/506421925.db2.gz VJNJQNNXXJUZNM-UHFFFAOYSA-N 0 3 350.422 3.046 20 30 FGEDHN COc1ccccc1[C@H](CC(C)C)NC[C@@H](O)CC1(C#N)CCOCC1 ZINC000599355378 506426014 /nfs/dbraw/zinc/42/60/14/506426014.db2.gz ZSPMURIMYTTZLU-HKUYNNGSSA-N 0 3 360.498 3.443 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@@H](O)COc1ccccc1C#N ZINC000599366373 506428724 /nfs/dbraw/zinc/42/87/24/506428724.db2.gz OLBUKIXAWJJEAH-KKVAFCGZSA-N 0 3 374.868 3.317 20 30 FGEDHN N#Cc1cc(NC(=O)NCC2CCN(Cc3cccs3)CC2)ccn1 ZINC000603126775 506429668 /nfs/dbraw/zinc/42/96/68/506429668.db2.gz CDQIDTIQIYGBSB-UHFFFAOYSA-N 0 3 355.467 3.048 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N2CCC[C@H](CC#N)C2)N(C)C)cc1 ZINC000596608835 506487459 /nfs/dbraw/zinc/48/74/59/506487459.db2.gz KJGKKOVJUOGDDJ-QAPCUYQASA-N 0 3 360.527 3.346 20 30 FGEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599581838 506508858 /nfs/dbraw/zinc/50/88/58/506508858.db2.gz KOAZMSZRXNYENX-SJORKVTESA-N 0 3 350.503 3.387 20 30 FGEDHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000582968269 506515649 /nfs/dbraw/zinc/51/56/49/506515649.db2.gz PRDIYYLCUUNBIG-KUHUBIRLSA-N 0 3 374.529 3.417 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)Nc3ccc4c(c3)OCCNC4)CCC2)cc1 ZINC000599613609 506530593 /nfs/dbraw/zinc/53/05/93/506530593.db2.gz NOUIIVYYDHHTST-UHFFFAOYSA-N 0 3 362.433 3.241 20 30 FGEDHN CC1(C)[C@H](c2ccc(F)cc2)CCN1CC(=O)N(CCC#N)CCC#N ZINC000599623900 506534756 /nfs/dbraw/zinc/53/47/56/506534756.db2.gz WKSFJFOMTGSHEU-SFHVURJKSA-N 0 3 356.445 3.050 20 30 FGEDHN CN(C(=O)CCNC1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000599629818 506539089 /nfs/dbraw/zinc/53/90/89/506539089.db2.gz HYRJJXFXASWHCY-UHFFFAOYSA-N 0 3 363.461 3.207 20 30 FGEDHN N#Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)ccc1Cl ZINC000596708153 506552118 /nfs/dbraw/zinc/55/21/18/506552118.db2.gz MQRGDFVUDOAIPP-RYUDHWBXSA-N 0 3 362.735 3.134 20 30 FGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000596723076 506561038 /nfs/dbraw/zinc/56/10/38/506561038.db2.gz GSANFCLFBFVZDG-LBPRGKRZSA-N 0 3 352.385 3.154 20 30 FGEDHN N#Cc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000589521141 506577296 /nfs/dbraw/zinc/57/72/96/506577296.db2.gz FGDMUXNGNSBCIV-DLBZAZTESA-N 0 3 368.399 3.377 20 30 FGEDHN CCN(C(=O)NCC1(C#N)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593428599 506615396 /nfs/dbraw/zinc/61/53/96/506615396.db2.gz IATQOZNCEUXIKP-LJQANCHMSA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1cccc(CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000583161129 506622705 /nfs/dbraw/zinc/62/27/05/506622705.db2.gz IWWFNSINERVNCM-OAQYLSRUSA-N 0 3 362.477 3.237 20 30 FGEDHN Cn1nc(C(F)(F)F)cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000583186153 506636269 /nfs/dbraw/zinc/63/62/69/506636269.db2.gz WFUDLGJUKQBYFH-QMMMGPOBSA-N 0 3 362.233 3.343 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000583199838 506646312 /nfs/dbraw/zinc/64/63/12/506646312.db2.gz KMTPGMAMWDYTDV-PXNSSMCTSA-N 0 3 370.424 3.135 20 30 FGEDHN C[C@H](NC(C)(C)CNS(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593544035 506679823 /nfs/dbraw/zinc/67/98/23/506679823.db2.gz UBKBLOXTJKJWMD-ZDUSSCGKSA-N 0 3 363.508 3.027 20 30 FGEDHN CCN(CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 ZINC000608795358 506711990 /nfs/dbraw/zinc/71/19/90/506711990.db2.gz WUVLIUYDLQDLQV-UHFFFAOYSA-N 0 3 365.437 3.351 20 30 FGEDHN N#CC1(c2ccc(CN3CCC(C(=O)NCC(F)(F)F)CC3)cc2)CC1 ZINC000596986783 506715236 /nfs/dbraw/zinc/71/52/36/506715236.db2.gz YBYQXYYVIKAUAE-UHFFFAOYSA-N 0 3 365.399 3.132 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2cccnc21 ZINC000608878197 506734974 /nfs/dbraw/zinc/73/49/74/506734974.db2.gz DHTVHVWXUBPGJS-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN C[C@@H](C(=O)NCC#Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000599983873 506735545 /nfs/dbraw/zinc/73/55/45/506735545.db2.gz AWIXUKUAKSZASV-FQEVSTJZSA-N 0 3 360.501 3.498 20 30 FGEDHN N#Cc1ccc(OCC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000609018311 506763787 /nfs/dbraw/zinc/76/37/87/506763787.db2.gz TVQHFVDQQATBKE-NRFANRHFSA-N 0 3 363.461 3.280 20 30 FGEDHN C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)N1CCC[C@@H](C)C1 ZINC000609083014 506771460 /nfs/dbraw/zinc/77/14/60/506771460.db2.gz KZZVTGFSUUYCLL-OLZOCXBDSA-N 0 3 366.412 3.402 20 30 FGEDHN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1cccc(CN2CCCC2)c1 ZINC000593845536 506799486 /nfs/dbraw/zinc/79/94/86/506799486.db2.gz ZPPJFQNJFICLQJ-UHFFFAOYSA-N 0 3 359.433 3.013 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593995577 506873544 /nfs/dbraw/zinc/87/35/44/506873544.db2.gz XVPPUAZIZZMZOP-PGRDOPGGSA-N 0 3 361.489 3.470 20 30 FGEDHN CCC(C)(C)N1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000594020333 506887689 /nfs/dbraw/zinc/88/76/89/506887689.db2.gz IEPKGJJISMOURA-WBTXTPOCSA-N 0 3 362.562 3.112 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](OC3CCC3)C1)CCC2 ZINC000594026155 506891962 /nfs/dbraw/zinc/89/19/62/506891962.db2.gz DSGWFJLNVFAERR-OAHLLOKOSA-N 0 3 373.522 3.471 20 30 FGEDHN CC[C@@H](NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCCCO1 ZINC000594045083 506903714 /nfs/dbraw/zinc/90/37/14/506903714.db2.gz SWFGWWAJYPMPBJ-WOJBJXKFSA-N 0 3 357.498 3.487 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609519330 506906661 /nfs/dbraw/zinc/90/66/61/506906661.db2.gz VLWXPIRALDDIII-UHFFFAOYSA-N 0 3 362.433 3.126 20 30 FGEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000609589601 506933657 /nfs/dbraw/zinc/93/36/57/506933657.db2.gz SSIBJYWKNHGQJD-HKUYNNGSSA-N 0 3 368.868 3.328 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000583743346 506948719 /nfs/dbraw/zinc/94/87/19/506948719.db2.gz IDWVSSUNRFZFCF-QUCCMNQESA-N 0 3 368.868 3.185 20 30 FGEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000609632783 506956117 /nfs/dbraw/zinc/95/61/17/506956117.db2.gz NXNSECDGBMIZEP-MRXNPFEDSA-N 0 3 371.506 3.274 20 30 FGEDHN Cc1nc(SCC(=O)N[C@H]2CCCN3CCCC[C@H]23)c(C#N)c(C)c1C ZINC000594197343 507001261 /nfs/dbraw/zinc/00/12/61/507001261.db2.gz CISQTUKNTCUPEJ-ZWKOTPCHSA-N 0 3 372.538 3.104 20 30 FGEDHN CC(C)(CNC(=O)N1Cc2ccc(C#N)cc2C1)N1CCc2ccccc2C1 ZINC000594212195 507012908 /nfs/dbraw/zinc/01/29/08/507012908.db2.gz KJYQXIIFDMCGKB-UHFFFAOYSA-N 0 3 374.488 3.420 20 30 FGEDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000609833431 507017740 /nfs/dbraw/zinc/01/77/40/507017740.db2.gz JQUCAMPUDTWVMA-KRWDZBQOSA-N 0 3 367.449 3.334 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594281004 507058632 /nfs/dbraw/zinc/05/86/32/507058632.db2.gz AIKQVVXDMPBNLQ-PMACEKPBSA-N 0 3 352.482 3.273 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594283399 507062236 /nfs/dbraw/zinc/06/22/36/507062236.db2.gz HVANVPMVYMOGFD-UXHICEINSA-N 0 3 354.498 3.495 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000594302112 507070959 /nfs/dbraw/zinc/07/09/59/507070959.db2.gz CWBCWZCIQOSKGA-GCJKJVERSA-N 0 3 361.489 3.470 20 30 FGEDHN C[C@@H](CNC[C@H](O)COc1ccccc1C#N)Oc1ccc(Cl)cc1 ZINC000600726849 507085659 /nfs/dbraw/zinc/08/56/59/507085659.db2.gz HKEFAVLIZZNEJC-YOEHRIQHSA-N 0 3 360.841 3.008 20 30 FGEDHN Cc1ccc(CNC[C@H](O)CC2(C#N)CCOCC2)c(OC(C)(C)C)c1 ZINC000600731874 507089028 /nfs/dbraw/zinc/08/90/28/507089028.db2.gz WHKMFJLFQQYMMU-GOSISDBHSA-N 0 3 360.498 3.333 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2csc(C(F)(F)F)c2)cc1 ZINC000600760572 507105855 /nfs/dbraw/zinc/10/58/55/507105855.db2.gz VTZQWPZVBJOTAL-ZDUSSCGKSA-N 0 3 356.369 3.168 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000594425844 507127031 /nfs/dbraw/zinc/12/70/31/507127031.db2.gz AXJJSCZCHVUPMC-CQSZACIVSA-N 0 3 356.451 3.095 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000594429201 507128112 /nfs/dbraw/zinc/12/81/12/507128112.db2.gz RHQPEEIFCIFRAD-SFHVURJKSA-N 0 3 356.470 3.053 20 30 FGEDHN Cc1ccc(C[C@@H](NC(=O)[C@H](N)CCCCC#N)c2ccccn2)cc1 ZINC000594436619 507132372 /nfs/dbraw/zinc/13/23/72/507132372.db2.gz DWRIESRWCNWULA-UYAOXDASSA-N 0 3 350.466 3.201 20 30 FGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000594441956 507135658 /nfs/dbraw/zinc/13/56/58/507135658.db2.gz ZAFVWFIAHRXRSW-UZLBHIALSA-N 0 3 366.465 3.249 20 30 FGEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OCc1ccncc1 ZINC000594441093 507135810 /nfs/dbraw/zinc/13/58/10/507135810.db2.gz MNHJHEZOTOYMJP-KRWDZBQOSA-N 0 3 368.437 3.019 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000594447192 507137634 /nfs/dbraw/zinc/13/76/34/507137634.db2.gz UYVFHIKKBJXCFB-HUUCEWRRSA-N 0 3 360.527 3.139 20 30 FGEDHN CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594446290 507137786 /nfs/dbraw/zinc/13/77/86/507137786.db2.gz PCJLLOGJGGJHRW-KRWDZBQOSA-N 0 3 367.497 3.173 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(COc2ccc(F)cc2)cc1 ZINC000594449863 507138708 /nfs/dbraw/zinc/13/87/08/507138708.db2.gz PNIZIARUFAGLFB-HXUWFJFHSA-N 0 3 369.440 3.432 20 30 FGEDHN CCc1c(NC(=O)[C@H](N)CCCCC#N)cnn1-c1ccccc1Cl ZINC000594456362 507140426 /nfs/dbraw/zinc/14/04/26/507140426.db2.gz MZKMNHGMMGATBX-CQSZACIVSA-N 0 3 359.861 3.438 20 30 FGEDHN CC(C)(C#N)c1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000594494345 507153648 /nfs/dbraw/zinc/15/36/48/507153648.db2.gz YKYWJEAPOPDPOL-JOCHJYFZSA-N 0 3 363.505 3.478 20 30 FGEDHN CC(C)(C#N)c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000594514890 507165108 /nfs/dbraw/zinc/16/51/08/507165108.db2.gz BNISWYZIWSHTKJ-MRXNPFEDSA-N 0 3 354.475 3.148 20 30 FGEDHN C[C@H](NC(=O)NCc1cccc(OCCN(C)C)c1)c1cccc(C#N)c1 ZINC000610348687 507205997 /nfs/dbraw/zinc/20/59/97/507205997.db2.gz SXSIOAKLRZFHSJ-INIZCTEOSA-N 0 3 366.465 3.059 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)c1cccc(OC)c1 ZINC000600982630 507214159 /nfs/dbraw/zinc/21/41/59/507214159.db2.gz BMVSSHHZOPBKLQ-GOSISDBHSA-N 0 3 355.482 3.278 20 30 FGEDHN Cc1nc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)cc1C#N ZINC000584214474 507218550 /nfs/dbraw/zinc/21/85/50/507218550.db2.gz MBMGNYDSIMRBBI-ZIAGYGMSSA-N 0 3 362.905 3.241 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000584251732 507237567 /nfs/dbraw/zinc/23/75/67/507237567.db2.gz FQNKMFRDERKSST-CRAIPNDOSA-N 0 3 351.450 3.428 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3nccn4nc(C5CC5)cc34)CC2)cc1 ZINC000601101632 507261762 /nfs/dbraw/zinc/26/17/62/507261762.db2.gz UMYPSFYQZKVWJA-UHFFFAOYSA-N 0 3 372.476 3.191 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000591475750 507266672 /nfs/dbraw/zinc/26/66/72/507266672.db2.gz KDPSYGHFGRNMDY-HOTGVXAUSA-N 0 3 356.388 3.157 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cccc(OC4CC4)c3F)CC2)nc1 ZINC000594921409 507314557 /nfs/dbraw/zinc/31/45/57/507314557.db2.gz CWCTZWGRWZKXEZ-UHFFFAOYSA-N 0 3 366.440 3.392 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NCc3cc4ccncc4s3)C2=O)cc1 ZINC000594940935 507322411 /nfs/dbraw/zinc/32/24/11/507322411.db2.gz VUWPGAIGYVDPTQ-SFHVURJKSA-N 0 3 362.458 3.059 20 30 FGEDHN Cc1ccc2cc(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[nH]c2c1 ZINC000594939064 507322696 /nfs/dbraw/zinc/32/26/96/507322696.db2.gz OJTRPFLXGWJJFT-HXUWFJFHSA-N 0 3 358.445 3.239 20 30 FGEDHN CN1CCN(c2cccc(Cl)c2CNCCc2ccc(C#N)cc2)CC1 ZINC000594954119 507329793 /nfs/dbraw/zinc/32/97/93/507329793.db2.gz BQDKORZBPHUUIR-UHFFFAOYSA-N 0 3 368.912 3.296 20 30 FGEDHN CN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000584411135 507330426 /nfs/dbraw/zinc/33/04/26/507330426.db2.gz KVXQAJZLNBDYAF-OALUTQOASA-N 0 3 365.412 3.092 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)C(C#N)CCc3ccccc3)CCOCC2)c1 ZINC000598246805 507340434 /nfs/dbraw/zinc/34/04/34/507340434.db2.gz SWSUHBLRBUMPCD-FQEVSTJZSA-N 0 3 373.456 3.453 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC3(CC2)OCc2ccccc23)c1 ZINC000610738668 507372280 /nfs/dbraw/zinc/37/22/80/507372280.db2.gz QJPVQWFSIZBXTO-UHFFFAOYSA-N 0 3 361.445 3.408 20 30 FGEDHN N#Cc1ccc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1F ZINC000591868716 507395670 /nfs/dbraw/zinc/39/56/70/507395670.db2.gz YTQPENRDFFSCMO-FXAWDEMLSA-N 0 3 364.424 3.436 20 30 FGEDHN COc1ccc2ncc(C#N)c(NC[C@@H](c3cccs3)N(C)C)c2c1 ZINC000591890754 507398990 /nfs/dbraw/zinc/39/89/90/507398990.db2.gz GVEDECVBILZVAK-KRWDZBQOSA-N 0 3 352.463 3.313 20 30 FGEDHN Cc1c([C@H](C)NC2CCN(CC#N)CC2)cnn1-c1cc(C)ccc1C ZINC000610813087 507400336 /nfs/dbraw/zinc/40/03/36/507400336.db2.gz YYYDIGICTXGMOY-KRWDZBQOSA-N 0 3 351.498 3.436 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000601620029 507404218 /nfs/dbraw/zinc/40/42/18/507404218.db2.gz FGHLZYRFKZKVJH-UHFFFAOYSA-N 0 3 367.449 3.425 20 30 FGEDHN C[C@](CO)(Cc1ccccc1F)NC(=O)C(C#N)CCc1ccccc1 ZINC000601853883 507488268 /nfs/dbraw/zinc/48/82/68/507488268.db2.gz YSXVWKISWTUBNB-WIYYLYMNSA-N 0 3 354.425 3.008 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)cc1 ZINC000598573660 507495706 /nfs/dbraw/zinc/49/57/06/507495706.db2.gz OKHVQSFSEOAHAQ-WOJBJXKFSA-N 0 3 356.429 3.389 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000598594844 507510616 /nfs/dbraw/zinc/51/06/16/507510616.db2.gz FBMVIBRNQLMRAG-NVXWUHKLSA-N 0 3 372.444 3.356 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C1 ZINC000595464264 507511481 /nfs/dbraw/zinc/51/14/81/507511481.db2.gz HXSZASJVWSXXNY-LAUBAEHRSA-N 0 3 362.477 3.235 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000598613513 507518191 /nfs/dbraw/zinc/51/81/91/507518191.db2.gz INXMDZPKGVEZKW-HUUCEWRRSA-N 0 3 352.276 3.186 20 30 FGEDHN N#CCCCOc1cccc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000601967719 507532624 /nfs/dbraw/zinc/53/26/24/507532624.db2.gz XJJSRDUTGPVBEQ-QFIPXVFZSA-N 0 3 365.477 3.418 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@@H](C)C1 ZINC000595536729 507548487 /nfs/dbraw/zinc/54/84/87/507548487.db2.gz ULJLJMVDZDGSOR-IRXDYDNUSA-N 0 3 374.554 3.435 20 30 FGEDHN Cc1cc2ncn(C[C@@H](O)CNC(C)(C)c3cccc(C#N)c3)c2cc1C ZINC000595634891 507605926 /nfs/dbraw/zinc/60/59/26/507605926.db2.gz HLDNFQLIJSOZMM-IBGZPJMESA-N 0 3 362.477 3.411 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@]3(C2)CCCOC3)c1 ZINC000585756287 507616631 /nfs/dbraw/zinc/61/66/31/507616631.db2.gz RHTXCFXMESNGBJ-DENIHFKCSA-N 0 3 369.509 3.441 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000595685901 507627492 /nfs/dbraw/zinc/62/74/92/507627492.db2.gz KDEJMZOGYGAAIY-DYESRHJHSA-N 0 3 362.477 3.063 20 30 FGEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1OCCO ZINC000611391077 507659866 /nfs/dbraw/zinc/65/98/66/507659866.db2.gz QKTCILCNJHVEHR-IBGZPJMESA-N 0 3 352.434 3.105 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000611395527 507660362 /nfs/dbraw/zinc/66/03/62/507660362.db2.gz HLXYGSOSFNWRSB-FQEVSTJZSA-N 0 3 354.475 3.463 20 30 FGEDHN COC(=O)[C@H](CC(C)(C)C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000592525764 507695248 /nfs/dbraw/zinc/69/52/48/507695248.db2.gz MYPLRDMVVLNBIX-IBGZPJMESA-N 0 3 357.498 3.090 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(F)c1F ZINC000602403263 507695741 /nfs/dbraw/zinc/69/57/41/507695741.db2.gz WHXYRELVKCWRGZ-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000602401500 507696348 /nfs/dbraw/zinc/69/63/48/507696348.db2.gz KUJPWQKQKSRTEJ-OAHLLOKOSA-N 0 3 366.469 3.246 20 30 FGEDHN COc1cccc(C2(NC[C@H](O)COc3ccc(CC#N)cc3)CCC2)c1 ZINC000595857212 507716423 /nfs/dbraw/zinc/71/64/23/507716423.db2.gz MTXAAXYNKBGJCP-IBGZPJMESA-N 0 3 366.461 3.170 20 30 FGEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@H](C)CC1(C#N)CCOCC1 ZINC000602492293 507726220 /nfs/dbraw/zinc/72/62/20/507726220.db2.gz GEGVYJXEIXQJGX-GOSISDBHSA-N 0 3 356.514 3.258 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OCC(F)(F)F)nc1 ZINC000602514220 507733754 /nfs/dbraw/zinc/73/37/54/507733754.db2.gz IIUWNWXSOQNTSF-CYBMUJFWSA-N 0 3 357.376 3.211 20 30 FGEDHN C[C@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@@H](N)c1ccccc1 ZINC000595967093 507752103 /nfs/dbraw/zinc/75/21/03/507752103.db2.gz DDNOISYSGHRQED-OXJNMPFZSA-N 0 3 363.461 3.016 20 30 FGEDHN CC[N@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000825435047 607488194 /nfs/dbraw/zinc/48/81/94/607488194.db2.gz KAAURZIUURBBHZ-CQSZACIVSA-N 0 3 362.437 3.330 20 30 FGEDHN CC[N@@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000825435047 607488195 /nfs/dbraw/zinc/48/81/95/607488195.db2.gz KAAURZIUURBBHZ-CQSZACIVSA-N 0 3 362.437 3.330 20 30 FGEDHN CC[N@H+](Cc1ccc(OC)c(-c2nn[n-]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000825435047 607488196 /nfs/dbraw/zinc/48/81/96/607488196.db2.gz KAAURZIUURBBHZ-CQSZACIVSA-N 0 3 362.437 3.330 20 30 FGEDHN CC[N@@H+](Cc1ccc(OC)c(-c2nn[n-]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000825435047 607488197 /nfs/dbraw/zinc/48/81/97/607488197.db2.gz KAAURZIUURBBHZ-CQSZACIVSA-N 0 3 362.437 3.330 20 30 FGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821109842 606963641 /nfs/dbraw/zinc/96/36/41/606963641.db2.gz QXTWNHGBFCDBEJ-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821109842 606963643 /nfs/dbraw/zinc/96/36/43/606963643.db2.gz QXTWNHGBFCDBEJ-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821109842 606963645 /nfs/dbraw/zinc/96/36/45/606963645.db2.gz QXTWNHGBFCDBEJ-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821109842 606963646 /nfs/dbraw/zinc/96/36/46/606963646.db2.gz QXTWNHGBFCDBEJ-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN Cc1csc(C(C#N)C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000041520510 695763174 /nfs/dbraw/zinc/76/31/74/695763174.db2.gz FSUKAOAFJGCNMS-JKSUJKDBSA-N 0 3 355.463 3.391 20 30 FGEDHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000112222373 700556738 /nfs/dbraw/zinc/55/67/38/700556738.db2.gz JYOWYLRKDGAYFU-CVEARBPZSA-N 0 3 355.463 3.155 20 30 FGEDHN CCOc1ncc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000112483899 700560091 /nfs/dbraw/zinc/56/00/91/700560091.db2.gz DJQSXHAAINPBSI-CQSZACIVSA-N 0 3 357.797 3.403 20 30 FGEDHN N#CC(C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)N1CCCC1 ZINC000119553876 700632736 /nfs/dbraw/zinc/63/27/36/700632736.db2.gz JPLKKKMATMGBMH-GFCCVEGCSA-N 0 3 369.248 3.484 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000132662148 700830015 /nfs/dbraw/zinc/83/00/15/700830015.db2.gz IDJLSSGFDYMRKE-BXUZGUMPSA-N 0 3 351.244 3.176 20 30 FGEDHN C=CCn1c(-c2ccco2)nn(CN2CCN(C)C[C@H]2C(C)C)c1=S ZINC000153635578 705006655 /nfs/dbraw/zinc/00/66/55/705006655.db2.gz QCOADIBXOAWGHQ-HNNXBMFYSA-N 0 3 361.515 3.090 20 30 FGEDHN C=CCc1cc(OCC)cc(CN2CCCN(CC(F)F)CC2)c1O ZINC000159584858 705227947 /nfs/dbraw/zinc/22/79/47/705227947.db2.gz YMNYBNPJLGYFSU-UHFFFAOYSA-N 0 3 354.441 3.292 20 30 FGEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175860549 705561962 /nfs/dbraw/zinc/56/19/62/705561962.db2.gz BFOYFVCEGBOXFJ-IRXDYDNUSA-N 0 3 363.527 3.178 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cc(Cl)ccc1Br ZINC000176020547 705568179 /nfs/dbraw/zinc/56/81/79/705568179.db2.gz GEZLALLWHNYFRH-LBPRGKRZSA-N 0 3 371.662 3.269 20 30 FGEDHN Cc1nc(Cl)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000177650781 705633740 /nfs/dbraw/zinc/63/37/40/705633740.db2.gz HURXRCYFFCZJMT-UHFFFAOYSA-N 0 3 362.886 3.181 20 30 FGEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ccccc2Br)CC1 ZINC000179011799 705685063 /nfs/dbraw/zinc/68/50/63/705685063.db2.gz RMWNFYZUDVQEAP-UHFFFAOYSA-N 0 3 363.299 3.146 20 30 FGEDHN O=C(NCCN[C@@H]1CCc2c1ccc(Cl)c2Cl)C1N=CC=CC1=O ZINC000180879097 705761684 /nfs/dbraw/zinc/76/16/84/705761684.db2.gz LCPQCLUGKJIUFI-VLUKHXRESA-N 0 3 366.248 3.097 20 30 FGEDHN COc1cccc(OCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000193404327 712890187 /nfs/dbraw/zinc/89/01/87/712890187.db2.gz PJCZITZEECHNDT-INIZCTEOSA-N 0 3 358.781 3.075 20 30 FGEDHN CCCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2OC)s1 ZINC000193471424 712892488 /nfs/dbraw/zinc/89/24/88/712892488.db2.gz VDXWBZHKNSBQFN-LBPRGKRZSA-N 0 3 357.435 3.374 20 30 FGEDHN N#Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1F ZINC000521852076 714152101 /nfs/dbraw/zinc/15/21/01/714152101.db2.gz YMJFRJJRFYSKQP-UHFFFAOYSA-N 0 3 362.474 3.180 20 30 FGEDHN C=CCOc1c(Cl)cc(CNCCC(=O)NC(C)(C)C)cc1OC ZINC000623405707 715328614 /nfs/dbraw/zinc/32/86/14/715328614.db2.gz VWOJWBVABXCYOY-UHFFFAOYSA-N 0 3 354.878 3.308 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ncsc2Nc2cccnc2)CC1 ZINC000625323374 715705970 /nfs/dbraw/zinc/70/59/70/715705970.db2.gz VLNDQKRSSGHZRT-UHFFFAOYSA-N 0 3 357.483 3.052 20 30 FGEDHN N#Cc1cc(Cl)cc(Br)c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804396172 724511744 /nfs/dbraw/zinc/51/17/44/724511744.db2.gz CWPLAAUUHMXSLJ-QWHCGFSZSA-N 0 3 370.678 3.249 20 30 FGEDHN CCCC[C@H](ON=C(C)C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000780981831 724518906 /nfs/dbraw/zinc/51/89/06/724518906.db2.gz NWJBIGHRHRRDPH-KRWDZBQOSA-N 0 3 369.575 3.435 20 30 FGEDHN CC(=O)c1cc(C#N)ccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000650079035 718615434 /nfs/dbraw/zinc/61/54/34/718615434.db2.gz JTZYMBMFBNPHBI-GXTWGEPZSA-N 0 3 354.328 3.447 20 30 FGEDHN Cc1ccc(CC#N)c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862454 721006799 /nfs/dbraw/zinc/00/67/99/721006799.db2.gz QKGJKTUZFOYRGK-MRXNPFEDSA-N 0 3 352.486 3.074 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCCOC1 ZINC000676235960 721792372 /nfs/dbraw/zinc/79/23/72/721792372.db2.gz KEBAYCNZDIENBA-INIZCTEOSA-N 0 3 350.532 3.011 20 30 FGEDHN C=C(Br)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000726239284 722432309 /nfs/dbraw/zinc/43/23/09/722432309.db2.gz YRPYSNQRDUTECJ-ZFWWWQNUSA-N 0 3 352.276 3.030 20 30 FGEDHN COc1ccc(CC(=NNC(=N)N)c2cc(Cl)ccc2Cl)cc1 ZINC000729140554 722457480 /nfs/dbraw/zinc/45/74/80/722457480.db2.gz IKVLZYSELSKDJI-UHFFFAOYSA-N 0 3 351.237 3.432 20 30 FGEDHN CC(C)c1nnc(CCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000747109207 722631699 /nfs/dbraw/zinc/63/16/99/722631699.db2.gz YCLLOIDSKBTAOU-NSHDSACASA-N 0 3 360.801 3.127 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(F)(F)C(F)F ZINC000750002252 722751753 /nfs/dbraw/zinc/75/17/53/722751753.db2.gz CSDUBMDYNARROJ-UHFFFAOYSA-N 0 3 366.428 3.485 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CCCCS2(=O)=O)cc1 ZINC000753733214 722910901 /nfs/dbraw/zinc/91/09/01/722910901.db2.gz QTFOOTZYKMYCDH-RHSMWYFYSA-N 0 3 357.903 3.436 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc3cccc(Br)c3n2)CC1 ZINC000757093525 722974337 /nfs/dbraw/zinc/97/43/37/722974337.db2.gz JUFLVWVHZLALRY-UHFFFAOYSA-N 0 3 372.266 3.281 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=S)Nc1ccccc1C#N ZINC000764930621 723460314 /nfs/dbraw/zinc/46/03/14/723460314.db2.gz MSGRNXCZVNMHDL-DNVCBOLYSA-N 0 3 350.491 3.365 20 30 FGEDHN C#CCOc1ccccc1CNC[C@H](O)c1cccc(Br)c1 ZINC000765285467 723502415 /nfs/dbraw/zinc/50/24/15/723502415.db2.gz IURILIOJBWOWIP-KRWDZBQOSA-N 0 3 360.251 3.284 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCC(=O)[C@H]2C)cc1Cl ZINC000796628938 723647432 /nfs/dbraw/zinc/64/74/32/723647432.db2.gz FRIFQHCZNUZKAF-DMDPSCGWSA-N 0 3 362.813 3.001 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000796633226 723647612 /nfs/dbraw/zinc/64/76/12/723647612.db2.gz ZSHLBQIAVQTJMF-MWLCHTKSSA-N 0 3 356.756 3.431 20 30 FGEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000770100007 723706127 /nfs/dbraw/zinc/70/61/27/723706127.db2.gz MOWUFYYMLGSOHV-AWEZNQCLSA-N 0 3 357.797 3.483 20 30 FGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(N(C)C)c(F)c2)n1 ZINC000770118960 723706555 /nfs/dbraw/zinc/70/65/55/723706555.db2.gz NUGUKYRVAKOSRM-LLVKDONJSA-N 0 3 361.398 3.015 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000797878373 723877312 /nfs/dbraw/zinc/87/73/12/723877312.db2.gz UVLXBNGAHZNFLM-MEDUHNTESA-N 0 3 356.260 3.234 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800410798 724193456 /nfs/dbraw/zinc/19/34/56/724193456.db2.gz ZNAJALXRJYOUGB-ZWNOBZJWSA-N 0 3 356.319 3.115 20 30 FGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000802044911 724355004 /nfs/dbraw/zinc/35/50/04/724355004.db2.gz ATYPDIAPHVDTAG-KGLIPLIRSA-N 0 3 356.319 3.484 20 30 FGEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000786537075 724987526 /nfs/dbraw/zinc/98/75/26/724987526.db2.gz QJRVBWBKSDUBLR-KRWDZBQOSA-N 0 3 356.809 3.053 20 30 FGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)COc2cccc(Cl)c2)c1 ZINC000786549297 724988552 /nfs/dbraw/zinc/98/85/52/724988552.db2.gz QLWNLEVZSUREBD-QGZVFWFLSA-N 0 3 356.809 3.053 20 30 FGEDHN CN(C)C[C@@H](NC(=O)Nc1cc(CC#N)ccn1)c1ccc(Cl)cc1 ZINC000871730100 735539419 /nfs/dbraw/zinc/53/94/19/735539419.db2.gz PKGOROFUEWLQHD-MRXNPFEDSA-N 0 3 357.845 3.225 20 30 FGEDHN C#C[C@H](NC(=O)N(CCN(C)C)Cc1ccsc1)c1ccc(F)cc1 ZINC000820464450 728997145 /nfs/dbraw/zinc/99/71/45/728997145.db2.gz OVQXOOVVPQJUPD-SFHVURJKSA-N 0 3 359.470 3.335 20 30 FGEDHN C#C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1ccc(Cl)cc1 ZINC000820565590 729005505 /nfs/dbraw/zinc/00/55/05/729005505.db2.gz RCLZITLPEKFNIN-GOSISDBHSA-N 0 3 359.857 3.381 20 30 FGEDHN C#CC[C@H]1CCCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C1 ZINC000829794415 729512363 /nfs/dbraw/zinc/51/23/63/729512363.db2.gz XKDDQCUADTUWGT-INIZCTEOSA-N 0 3 354.475 3.084 20 30 FGEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000835062363 729854414 /nfs/dbraw/zinc/85/44/14/729854414.db2.gz SXERXVAGLDADRY-CHWSQXEVSA-N 0 3 356.394 3.464 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000836488677 729957546 /nfs/dbraw/zinc/95/75/46/729957546.db2.gz YSBFXYMUIBQZGZ-HNNXBMFYSA-N 0 3 351.903 3.131 20 30 FGEDHN C#CCN(C)CCCNC(=O)Cc1sc(SC2CCCC2)nc1C ZINC000841439367 730243746 /nfs/dbraw/zinc/24/37/46/730243746.db2.gz NVAWOJZEGDBTAT-UHFFFAOYSA-N 0 3 365.568 3.100 20 30 FGEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H](CC)CO1 ZINC000844388688 730711199 /nfs/dbraw/zinc/71/11/99/730711199.db2.gz VINZYKIGGJETHV-RBSFLKMASA-N 0 3 357.479 3.362 20 30 FGEDHN O=[S@](CCNCc1ccc(F)cc1C(F)(F)F)CC(F)(F)F ZINC000850349059 731346011 /nfs/dbraw/zinc/34/60/11/731346011.db2.gz YVZYPXNFOBZSFA-JOCHJYFZSA-N 0 3 351.287 3.245 20 30 FGEDHN Cc1ccn([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000850760053 731385654 /nfs/dbraw/zinc/38/56/54/731385654.db2.gz VDRJYWMCNUGDSC-AAEUAGOBSA-N 0 3 362.792 3.283 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc(COC)cs1 ZINC000850759571 731385837 /nfs/dbraw/zinc/38/58/37/731385837.db2.gz QDVPRWQEJCGMIA-CYBMUJFWSA-N 0 3 358.419 3.254 20 30 FGEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)C1CC2(CC2(F)F)C1 ZINC000850976758 731408363 /nfs/dbraw/zinc/40/83/63/731408363.db2.gz IDVLYWZTZPJCPC-ULKWEWGCSA-N 0 3 352.768 3.100 20 30 FGEDHN N#CCCNC(=O)CNC1(c2ccc(Br)cc2)CCCCC1 ZINC000852311679 731569132 /nfs/dbraw/zinc/56/91/32/731569132.db2.gz KZEXTJXZDBWGQA-UHFFFAOYSA-N 0 3 364.287 3.228 20 30 FGEDHN CCN(C)Cc1cc(O[C@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554325 732038248 /nfs/dbraw/zinc/03/82/48/732038248.db2.gz QZWBHDXEVNROBU-KRWDZBQOSA-N 0 3 356.495 3.120 20 30 FGEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000860473809 732519741 /nfs/dbraw/zinc/51/97/41/732519741.db2.gz SBYCPKUEGIIUBG-SWLSCSKDSA-N 0 3 352.818 3.201 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)[C@H](C)O1 ZINC000870135753 733815175 /nfs/dbraw/zinc/81/51/75/733815175.db2.gz BZEXVLCCGZUFFW-XXSPCDMZSA-N 0 3 368.405 3.462 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C#N)o1 ZINC000871643317 733955475 /nfs/dbraw/zinc/95/54/75/733955475.db2.gz YMOCSECCEBLHQS-UHFFFAOYSA-N 0 3 357.483 3.249 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C ZINC000876581888 736116567 /nfs/dbraw/zinc/11/65/67/736116567.db2.gz GTSBUKBJXSLUEX-INIZCTEOSA-N 0 3 363.889 3.466 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000876588380 736117120 /nfs/dbraw/zinc/11/71/20/736117120.db2.gz FUZCSLDIKAIJSO-LJQANCHMSA-N 0 3 358.869 3.490 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000876590502 736117973 /nfs/dbraw/zinc/11/79/73/736117973.db2.gz WDZWVEIOHHNXMX-DVOMOZLQSA-N 0 3 363.889 3.213 20 30 FGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccsc2)cc1C#N ZINC000880881941 737247899 /nfs/dbraw/zinc/24/78/99/737247899.db2.gz SSMIDBOQQZDLCE-UHFFFAOYSA-N 0 3 358.467 3.224 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1CCSc3ccc(Cl)cc31)C2 ZINC000884062705 737629720 /nfs/dbraw/zinc/62/97/20/737629720.db2.gz ZCWOFPXEXGPGMZ-AWHIABRSSA-N 0 3 361.898 3.132 20 30 FGEDHN Cc1ccccc1-c1csc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)n1 ZINC000884072592 737631068 /nfs/dbraw/zinc/63/10/68/737631068.db2.gz IAWXIPRMNZJDHU-SHYRYGCCSA-N 0 3 352.463 3.196 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc3nc(C4CC4)sc3c1)C2 ZINC000884107410 737634034 /nfs/dbraw/zinc/63/40/34/737634034.db2.gz VYCMOVNXZVUZTN-FWHMADFJSA-N 0 3 352.463 3.252 20 30 FGEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)Cc1cccc(Cl)c1 ZINC000884164083 737639775 /nfs/dbraw/zinc/63/97/75/737639775.db2.gz XOFOHLIVRIIDFG-NGEICVOHSA-N 0 3 359.901 3.164 20 30 FGEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884322918 737655450 /nfs/dbraw/zinc/65/54/50/737655450.db2.gz YWTMDNIXYNFUNB-MLBPIDQTSA-N 0 3 360.527 3.234 20 30 FGEDHN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884330625 737656319 /nfs/dbraw/zinc/65/63/19/737656319.db2.gz RZHIYXQMPBYHJP-LLFUWHRMSA-N 0 3 366.292 3.180 20 30 FGEDHN CC(C)CN(Cc1cccc(Cl)c1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884425901 737663298 /nfs/dbraw/zinc/66/32/98/737663298.db2.gz WCRCXJCKCRNYSB-GNZRSQJKSA-N 0 3 359.901 3.464 20 30 FGEDHN C#Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c(Cl)c1 ZINC000885669801 739178542 /nfs/dbraw/zinc/17/85/42/739178542.db2.gz MLDOTXLURSYJET-VXGBXAGGSA-N 0 3 361.747 3.244 20 30 FGEDHN C#CCN(C(=O)c1ccc(-c2csc(C)n2)s1)C1CCN(C)CC1 ZINC000886572316 739271228 /nfs/dbraw/zinc/27/12/28/739271228.db2.gz HVISGRXJGRCKIH-UHFFFAOYSA-N 0 3 359.520 3.350 20 30 FGEDHN C#CCN1CCC(C(=O)NC[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000887409155 739370756 /nfs/dbraw/zinc/37/07/56/739370756.db2.gz ZDRXRMRUQUEXQA-CQSZACIVSA-N 0 3 363.299 3.014 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CC(C)(C)CO2)cc1Cl ZINC000892498457 740007447 /nfs/dbraw/zinc/00/74/47/740007447.db2.gz JDPBUBQCNPWHFL-CHWSQXEVSA-N 0 3 364.829 3.201 20 30 FGEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000904207284 743938913 /nfs/dbraw/zinc/93/89/13/743938913.db2.gz XYMFBPVMPTYAEC-ROUUACIJSA-N 0 3 350.507 3.032 20 30 FGEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000904207284 743938915 /nfs/dbraw/zinc/93/89/15/743938915.db2.gz XYMFBPVMPTYAEC-ROUUACIJSA-N 0 3 350.507 3.032 20 30 FGEDHN CC(C)Oc1cc(Cl)ccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000905425056 744021212 /nfs/dbraw/zinc/02/12/12/744021212.db2.gz MMRGQHGMCZMRRC-KRWDZBQOSA-N 0 3 366.889 3.288 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000916877118 758149589 /nfs/dbraw/zinc/14/95/89/758149589.db2.gz BSRSTRWHYHCGQC-IMBTUZDBSA-N 0 3 350.503 3.479 20 30 FGEDHN Cc1ccc(Cl)c(OCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000916885787 758150701 /nfs/dbraw/zinc/15/07/01/758150701.db2.gz FHUJKLQBKLQKDJ-OAHLLOKOSA-N 0 3 356.809 3.053 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000916918595 758153993 /nfs/dbraw/zinc/15/39/93/758153993.db2.gz UFEKVEPYWXLZGT-CQSZACIVSA-N 0 3 359.838 3.017 20 30 FGEDHN C[C@@H]1c2cccn2CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917060746 758172519 /nfs/dbraw/zinc/17/25/19/758172519.db2.gz DUGAMCGKNCYFMO-ZIAGYGMSSA-N 0 3 350.447 3.351 20 30 FGEDHN C#CCN(C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(C)CC1 ZINC000921374896 758700562 /nfs/dbraw/zinc/70/05/62/758700562.db2.gz BOUIAKRKYAZFOJ-LSDHHAIUSA-N 0 3 359.436 3.094 20 30 FGEDHN CCOC(=O)N1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921522085 758733283 /nfs/dbraw/zinc/73/32/83/758733283.db2.gz XIZVFXQGOZNRRV-UHFFFAOYSA-N 0 3 366.259 3.031 20 30 FGEDHN COc1cc(CN2CC[C@H](NCc3csc(C#N)c3)C2)cc(OC)c1 ZINC000921831925 758805033 /nfs/dbraw/zinc/80/50/33/758805033.db2.gz WNVDLRNVJGUSLB-INIZCTEOSA-N 0 3 357.479 3.001 20 30 FGEDHN COc1cc(CN2CC[C@@H](NCc3csc(C#N)c3)C2)cc(OC)c1 ZINC000921831926 758805250 /nfs/dbraw/zinc/80/52/50/758805250.db2.gz WNVDLRNVJGUSLB-MRXNPFEDSA-N 0 3 357.479 3.001 20 30 FGEDHN C=CCCC[C@@H]1NC(=O)N(C[C@@H]2CCCN(C)[C@H]2c2cccs2)C1=O ZINC000924699504 759373593 /nfs/dbraw/zinc/37/35/93/759373593.db2.gz FDEGIVDIZKVJNL-YQQAZPJKSA-N 0 3 361.511 3.408 20 30 FGEDHN C#CCN(C(=O)NCCc1ccccc1SCC)C1CCN(C)CC1 ZINC000926509620 759765396 /nfs/dbraw/zinc/76/53/96/759765396.db2.gz KBOVCMKVKKTXJP-UHFFFAOYSA-N 0 3 359.539 3.080 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(F)cc(Br)c2C)CC1 ZINC000932140418 761065952 /nfs/dbraw/zinc/06/59/52/761065952.db2.gz BAJYKOOPSWOERX-UHFFFAOYSA-N 0 3 355.251 3.277 20 30 FGEDHN CC(C)[C@@H](O)CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940190 761279598 /nfs/dbraw/zinc/27/95/98/761279598.db2.gz OGAJHQQLSJCHIG-AEJSXWLSSA-N 0 3 369.296 3.496 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)s1 ZINC000969083649 762854112 /nfs/dbraw/zinc/85/41/12/762854112.db2.gz PHPQHANBGCMSQT-XOKHGSTOSA-N 0 3 357.504 3.175 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2C)C1 ZINC000972372131 762958924 /nfs/dbraw/zinc/95/89/24/762958924.db2.gz CUAFCWSPUPCNQV-QRVBRYPASA-N 0 3 362.901 3.272 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001015819396 765807633 /nfs/dbraw/zinc/80/76/33/765807633.db2.gz GZBLOFCMEXSDES-QYZOEREBSA-N 0 3 362.539 3.427 20 30 FGEDHN C#CCN1CCC[C@H](CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001023369648 766034908 /nfs/dbraw/zinc/03/49/08/766034908.db2.gz GDDGPRMCOGZYRI-WXGPCXSOSA-N 0 3 356.432 3.063 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cc(C)sc1C ZINC001027888235 766103162 /nfs/dbraw/zinc/10/31/62/766103162.db2.gz JOKIAULJLLZYOA-QRVBRYPASA-N 0 3 362.539 3.427 20 30 FGEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001033931721 766226748 /nfs/dbraw/zinc/22/67/48/766226748.db2.gz RNTXVHCWJLOMSM-RRFJBIMHSA-N 0 3 350.915 3.451 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(Cc2cc(C)sc2C)C1 ZINC001034409846 766241428 /nfs/dbraw/zinc/24/14/28/766241428.db2.gz YRJHDIBFDWJDJM-QRVBRYPASA-N 0 3 362.539 3.427 20 30 FGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)CC1 ZINC001040746565 766321975 /nfs/dbraw/zinc/32/19/75/766321975.db2.gz DBYJGYDPDYHGTO-CVEARBPZSA-N 0 3 356.432 3.303 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001045781159 766572313 /nfs/dbraw/zinc/57/23/13/766572313.db2.gz ZKTYLXGVIVSYLZ-HCXYKTFWSA-N 0 3 360.523 3.295 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(Cc2cc(C)sc2C)C1 ZINC001046325774 766584710 /nfs/dbraw/zinc/58/47/10/766584710.db2.gz CVRMYXCZKGMHDW-WSTZPKSXSA-N 0 3 362.539 3.427 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C2CCN(C/C=C/Cl)CC2)C1 ZINC001047258996 766634563 /nfs/dbraw/zinc/63/45/63/766634563.db2.gz JEFIBCSIJQXWLX-TVAWBJKKSA-N 0 3 366.933 3.281 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001050693525 766853782 /nfs/dbraw/zinc/85/37/82/766853782.db2.gz INRHYYWKRHNLTJ-IYZIGIFBSA-N 0 3 352.906 3.035 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000568122240 505622263 /nfs/dbraw/zinc/62/22/63/505622263.db2.gz ZTNWUJPDFTZRSN-UWJYYQICSA-N 0 3 369.509 3.294 20 30 FGEDHN Cc1csc2ncc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)c(=O)n12 ZINC000576925567 505626475 /nfs/dbraw/zinc/62/64/75/505626475.db2.gz VHZVFNXKJYPPLY-JTQLQIEISA-N 0 3 372.475 3.309 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H](c1cccs1)N1CCOCC1)CC2 ZINC000573827836 505630259 /nfs/dbraw/zinc/63/02/59/505630259.db2.gz ULWQJKIGGSPBFU-RTBURBONSA-N 0 3 353.491 3.270 20 30 FGEDHN N#CCOc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000057827564 493805164 /nfs/dbraw/zinc/80/51/64/493805164.db2.gz KBCDGWOOYHAGQK-LJQANCHMSA-N 0 3 364.449 3.375 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000574045467 505681853 /nfs/dbraw/zinc/68/18/53/505681853.db2.gz RYYMCFPTXICPSD-HTAPYJJXSA-N 0 3 363.461 3.106 20 30 FGEDHN Cn1cc(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1C#N ZINC000580128508 505682521 /nfs/dbraw/zinc/68/25/21/505682521.db2.gz KKYFMZFAQVMWCO-QGZVFWFLSA-N 0 3 352.486 3.442 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000076201924 493843178 /nfs/dbraw/zinc/84/31/78/493843178.db2.gz KQLHQQWIUSGYMN-MRXNPFEDSA-N 0 3 367.449 3.192 20 30 FGEDHN C[C@@H](CN1CCCC1=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000048780109 493845518 /nfs/dbraw/zinc/84/55/18/493845518.db2.gz HUJUDBYRFNWKRJ-KRWDZBQOSA-N 0 3 363.461 3.238 20 30 FGEDHN CCSc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cn1 ZINC000068763880 493868587 /nfs/dbraw/zinc/86/85/87/493868587.db2.gz BSVUIWYMXIXOCU-UHFFFAOYSA-N 0 3 368.506 3.269 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCCN(C(C)C)CC2)c1C#N ZINC000068781756 493873061 /nfs/dbraw/zinc/87/30/61/493873061.db2.gz ACTZNGZAUJZLMO-UHFFFAOYSA-N 0 3 358.511 3.109 20 30 FGEDHN N#Cc1ccc(OCc2ccc(C(=O)NCCN3CCCCCC3)o2)cc1 ZINC000076426926 493890572 /nfs/dbraw/zinc/89/05/72/493890572.db2.gz SGEFFUKTOBMKDG-UHFFFAOYSA-N 0 3 367.449 3.336 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000050030084 493893037 /nfs/dbraw/zinc/89/30/37/493893037.db2.gz SGFPMYBDYKPDLV-KRWDZBQOSA-N 0 3 372.509 3.252 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)C(C2CC2)C2CC2)cc1 ZINC000050989044 493940049 /nfs/dbraw/zinc/94/00/49/493940049.db2.gz LCEAIWSMBWPLIQ-UHFFFAOYSA-N 0 3 355.482 3.452 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000051472604 493972414 /nfs/dbraw/zinc/97/24/14/493972414.db2.gz SXSAKTGMSYOWFU-FPOVZHCZSA-N 0 3 354.425 3.469 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000051560542 493975927 /nfs/dbraw/zinc/97/59/27/493975927.db2.gz ATQKZTGNQOEYFP-UHFFFAOYSA-N 0 3 355.482 3.052 20 30 FGEDHN CC1CCN(C(=O)C2CCN(CCCOc3ccc(C#N)cc3)CC2)CC1 ZINC000052159696 494006792 /nfs/dbraw/zinc/00/67/92/494006792.db2.gz JUCKLXOSFNEPSU-UHFFFAOYSA-N 0 3 369.509 3.298 20 30 FGEDHN CN(CCCN(C)C(=O)c1ccc(C2(C#N)CC2)cc1)Cc1ccncc1 ZINC000574113540 505696492 /nfs/dbraw/zinc/69/64/92/505696492.db2.gz IZLKSDDMBAGANQ-UHFFFAOYSA-N 0 3 362.477 3.231 20 30 FGEDHN CCN1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000033240807 494054000 /nfs/dbraw/zinc/05/40/00/494054000.db2.gz KLMNXOPAKSLTNL-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN CO/N=C/c1ccc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000084365220 494066442 /nfs/dbraw/zinc/06/64/42/494066442.db2.gz GRYSDOCHXJTHDA-XQNSMLJCSA-N 0 3 365.477 3.404 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000052877297 494072120 /nfs/dbraw/zinc/07/21/20/494072120.db2.gz NDJUJZPRWKJCNE-UHFFFAOYSA-N 0 3 362.477 3.142 20 30 FGEDHN COc1ccc(CNC[C@](C)(O)c2ccsc2)cc1OCCCC#N ZINC000077461190 494088572 /nfs/dbraw/zinc/08/85/72/494088572.db2.gz ZPYXSAODGRXPSL-IBGZPJMESA-N 0 3 360.479 3.437 20 30 FGEDHN CN(CCNC(=O)CSCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000053349763 494120774 /nfs/dbraw/zinc/12/07/74/494120774.db2.gz GVALVLZFBLEWBB-UHFFFAOYSA-N 0 3 353.491 3.040 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Nc3cccc(C)n3)CC2)CC1 ZINC000077823099 494186541 /nfs/dbraw/zinc/18/65/41/494186541.db2.gz AHWJBUUJVWDBNQ-UHFFFAOYSA-N 0 3 371.529 3.016 20 30 FGEDHN CCCN(CCN1CCCC1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000580229708 505708908 /nfs/dbraw/zinc/70/89/08/505708908.db2.gz LICVNHCEZKPHMP-UHFFFAOYSA-N 0 3 353.426 3.327 20 30 FGEDHN C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCCN(C)C)cc1 ZINC000054680821 494261064 /nfs/dbraw/zinc/26/10/64/494261064.db2.gz DQJLAWVABIZFJO-HXUWFJFHSA-N 0 3 351.450 3.380 20 30 FGEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(C1CC1)C1CCCCC1 ZINC000065950412 494261262 /nfs/dbraw/zinc/26/12/62/494261262.db2.gz SMGCQXPNVZWUKL-UHFFFAOYSA-N 0 3 363.465 3.480 20 30 FGEDHN CCOC(=O)c1ccn(-c2cccc(CNCc3cc(C#N)cs3)c2)n1 ZINC000580245566 505712193 /nfs/dbraw/zinc/71/21/93/505712193.db2.gz VDSLWOMPRRSPOB-UHFFFAOYSA-N 0 3 366.446 3.272 20 30 FGEDHN N#Cc1cc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nc2ccccc12 ZINC000089644956 494337778 /nfs/dbraw/zinc/33/77/78/494337778.db2.gz YTDRUJASBUZXKL-RTBURBONSA-N 0 3 358.445 3.154 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(F)c1 ZINC000045132335 494400186 /nfs/dbraw/zinc/40/01/86/494400186.db2.gz NQQXCEWJLHHTPW-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)cc2)CC1 ZINC000073767130 494425372 /nfs/dbraw/zinc/42/53/72/494425372.db2.gz RWNYMIKEHIXIDI-UWJYYQICSA-N 0 3 354.498 3.031 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)cc2)CC1 ZINC000073767131 494425443 /nfs/dbraw/zinc/42/54/43/494425443.db2.gz RWNYMIKEHIXIDI-DYESRHJHSA-N 0 3 354.498 3.031 20 30 FGEDHN CN(C)C(=O)[C@H](Cc1ccccc1)NCc1cccc(OCCCC#N)c1 ZINC000067122917 494479146 /nfs/dbraw/zinc/47/91/46/494479146.db2.gz BOWYZNMDKJCLKM-NRFANRHFSA-N 0 3 365.477 3.158 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000074128108 494485775 /nfs/dbraw/zinc/48/57/75/494485775.db2.gz PJDLGKDZOCGNCQ-LJQANCHMSA-N 0 3 366.440 3.113 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046086353 494493124 /nfs/dbraw/zinc/49/31/24/494493124.db2.gz XCNXRPPLPRVYEJ-UHFFFAOYSA-N 0 3 366.421 3.058 20 30 FGEDHN N#CCSCCCN1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000074982178 494670650 /nfs/dbraw/zinc/67/06/50/494670650.db2.gz UFEDAJAWTAZGSO-UHFFFAOYSA-N 0 3 351.903 3.135 20 30 FGEDHN C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1ccc(C#N)cc1 ZINC000057202365 494678259 /nfs/dbraw/zinc/67/82/59/494678259.db2.gz KJINDQYEXYVMAD-UZLBHIALSA-N 0 3 350.466 3.091 20 30 FGEDHN Cc1nnc(N(C)CCC2CCN(c3ccncc3)CC2)c(C#N)c1C ZINC000092696253 494713534 /nfs/dbraw/zinc/71/35/34/494713534.db2.gz JJGPTJWSFPOKOH-UHFFFAOYSA-N 0 3 350.470 3.103 20 30 FGEDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000057371711 494723547 /nfs/dbraw/zinc/72/35/47/494723547.db2.gz WGPQEQCTEINEOP-QGZVFWFLSA-N 0 3 364.367 3.449 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H](C(=O)NCCCC)C2)cc(OC)c1O ZINC000092710254 494724367 /nfs/dbraw/zinc/72/43/67/494724367.db2.gz OSMJGBRFLQWSNA-SFHVURJKSA-N 0 3 360.498 3.258 20 30 FGEDHN C#CCOc1ccc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000126476211 494763950 /nfs/dbraw/zinc/76/39/50/494763950.db2.gz QVPXGAXSFRWLDG-UHFFFAOYSA-N 0 3 363.461 3.082 20 30 FGEDHN CN(C)Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000047771601 494773443 /nfs/dbraw/zinc/77/34/43/494773443.db2.gz DRKCTBRJQAKXHZ-UHFFFAOYSA-N 0 3 353.491 3.169 20 30 FGEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)s1 ZINC000132045558 494805351 /nfs/dbraw/zinc/80/53/51/494805351.db2.gz RUJXZGODPQSUOK-UHFFFAOYSA-N 0 3 362.474 3.084 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OC ZINC000093134220 494832517 /nfs/dbraw/zinc/83/25/17/494832517.db2.gz GOUNTXRSTMWZAB-QGZVFWFLSA-N 0 3 368.481 3.177 20 30 FGEDHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)cc1 ZINC000109116902 494834486 /nfs/dbraw/zinc/83/44/86/494834486.db2.gz KZWAUGOAHHONAL-HXUWFJFHSA-N 0 3 362.477 3.019 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000574324034 505747574 /nfs/dbraw/zinc/74/75/74/505747574.db2.gz QUAKLAGUEOOOIL-AZUAARDMSA-N 0 3 361.449 3.389 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000093685178 494911989 /nfs/dbraw/zinc/91/19/89/494911989.db2.gz SWKABVLULCDHOS-CYBMUJFWSA-N 0 3 359.417 3.243 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](N(C)CC(C)(C)CCC#N)C2=O)c1 ZINC000093840900 494925611 /nfs/dbraw/zinc/92/56/11/494925611.db2.gz MACZRDAQWNRCGZ-SFHVURJKSA-N 0 3 359.470 3.071 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000094123145 494951893 /nfs/dbraw/zinc/95/18/93/494951893.db2.gz WCKBBSKZDKXODK-UHFFFAOYSA-N 0 3 358.482 3.412 20 30 FGEDHN C=C(C)CN1CCC(Nc2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000094156394 494954569 /nfs/dbraw/zinc/95/45/69/494954569.db2.gz HEUKVXNFLWIBNY-UHFFFAOYSA-N 0 3 370.266 3.140 20 30 FGEDHN CC(C)CC1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000127529586 494957609 /nfs/dbraw/zinc/95/76/09/494957609.db2.gz DLFNWIMGCGTJEO-UHFFFAOYSA-N 0 3 356.514 3.458 20 30 FGEDHN N#CCOc1ccc(CC(=O)N2C[C@H]3CCCN3Cc3ccccc32)cc1 ZINC000110229895 494959678 /nfs/dbraw/zinc/95/96/78/494959678.db2.gz UNWDODYGRIVFMI-LJQANCHMSA-N 0 3 361.445 3.143 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000133469855 495017283 /nfs/dbraw/zinc/01/72/83/495017283.db2.gz SEJLLGNKVHRLPN-VQTJNVASSA-N 0 3 354.475 3.258 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc([C@H]2CCCO2)n1)C(C)C ZINC000134167066 495116482 /nfs/dbraw/zinc/11/64/82/495116482.db2.gz CLKGMSPLZJBFOI-DLBZAZTESA-N 0 3 363.527 3.423 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H]1CCCOC1)C(C)C ZINC000574396206 505764071 /nfs/dbraw/zinc/76/40/71/505764071.db2.gz ULSDICLKBCWFNJ-HSALFYBXSA-N 0 3 363.546 3.286 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000123644662 495166131 /nfs/dbraw/zinc/16/61/31/495166131.db2.gz MLZHSFYGEJYYJK-MDVISLEMSA-N 0 3 358.482 3.214 20 30 FGEDHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000119692852 495219442 /nfs/dbraw/zinc/21/94/42/495219442.db2.gz QVZIBXKNRZVBPF-PBHICJAKSA-N 0 3 361.461 3.397 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)CC1 ZINC000119820428 495248071 /nfs/dbraw/zinc/24/80/71/495248071.db2.gz DFHISAVWTACLBD-OAHLLOKOSA-N 0 3 358.457 3.137 20 30 FGEDHN Cn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000571603579 505770190 /nfs/dbraw/zinc/77/01/90/505770190.db2.gz SXLGYVDEHXXZSL-UHFFFAOYSA-N 0 3 364.497 3.057 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)c(NC(C)=O)c1)C(C)C ZINC000112919951 495257882 /nfs/dbraw/zinc/25/78/82/495257882.db2.gz NCUYRXMNASNJCO-HXUWFJFHSA-N 0 3 357.498 3.382 20 30 FGEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)cc1 ZINC000104226744 495272437 /nfs/dbraw/zinc/27/24/37/495272437.db2.gz MOLFVAHJDMPYOR-SFHVURJKSA-N 0 3 358.486 3.443 20 30 FGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000113328890 495296251 /nfs/dbraw/zinc/29/62/51/495296251.db2.gz NKDRDVWHLVZRPQ-GOSISDBHSA-N 0 3 350.462 3.386 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2COc2ccccc2)CC1 ZINC000113390228 495302657 /nfs/dbraw/zinc/30/26/57/495302657.db2.gz XCCAOMDMCKGOKO-IBGZPJMESA-N 0 3 357.498 3.280 20 30 FGEDHN CC(C)Oc1cccc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000120563892 495405968 /nfs/dbraw/zinc/40/59/68/495405968.db2.gz MRBUFAFABIVIJF-HXUWFJFHSA-N 0 3 368.477 3.412 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC000106035581 495406153 /nfs/dbraw/zinc/40/61/53/495406153.db2.gz YPRYYDNONKQHKM-GOSISDBHSA-N 0 3 372.509 3.132 20 30 FGEDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114685611 495408942 /nfs/dbraw/zinc/40/89/42/495408942.db2.gz HXQSOZFTWUNRPF-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(CCC(C)(C)C)CC1 ZINC000125298639 495421669 /nfs/dbraw/zinc/42/16/69/495421669.db2.gz YZXVWQHLRRTGPF-LJQANCHMSA-N 0 3 370.541 3.376 20 30 FGEDHN Cc1cc(C)n(CC2CCN(CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000106188549 495427374 /nfs/dbraw/zinc/42/73/74/495427374.db2.gz RGWMGKOXPKEXAZ-UHFFFAOYSA-N 0 3 371.510 3.174 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3cc(F)ccc23)CC1 ZINC000106275643 495441698 /nfs/dbraw/zinc/44/16/98/495441698.db2.gz XTFPNNYKGHFHHV-UHFFFAOYSA-N 0 3 358.461 3.189 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(=O)N(CC)CC)CC1 ZINC000106323472 495445297 /nfs/dbraw/zinc/44/52/97/495445297.db2.gz BCTFIWYRXMAQDQ-UHFFFAOYSA-N 0 3 372.513 3.331 20 30 FGEDHN N#Cc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cn1 ZINC000115374648 495496815 /nfs/dbraw/zinc/49/68/15/495496815.db2.gz RFYKSWGFTADYFG-UHFFFAOYSA-N 0 3 368.868 3.345 20 30 FGEDHN N#CCSc1ccccc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000141822519 495511179 /nfs/dbraw/zinc/51/11/79/495511179.db2.gz UZIYJWYDGGYHBJ-UHFFFAOYSA-N 0 3 372.538 3.191 20 30 FGEDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000131267964 495515054 /nfs/dbraw/zinc/51/50/54/495515054.db2.gz MAEIZYMXTHTFHK-GOSISDBHSA-N 0 3 353.422 3.463 20 30 FGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131274837 495515709 /nfs/dbraw/zinc/51/57/09/495515709.db2.gz ZVLNZQVYEZBWCJ-LZQZEXGQSA-N 0 3 373.497 3.217 20 30 FGEDHN N#Cc1ccc([C@H](NCC2(c3ccc(F)cc3)CCCC2)C(N)=O)cc1 ZINC000115597171 495520758 /nfs/dbraw/zinc/52/07/58/495520758.db2.gz NJBXGWFMMHJBPQ-IBGZPJMESA-N 0 3 351.425 3.325 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000176230882 495555571 /nfs/dbraw/zinc/55/55/71/495555571.db2.gz NYPYWWPRIVOKKU-FQEVSTJZSA-N 0 3 354.475 3.463 20 30 FGEDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182538472 495604726 /nfs/dbraw/zinc/60/47/26/495604726.db2.gz SYLSJNJETCBOQD-AWEZNQCLSA-N 0 3 350.422 3.196 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1COc2ccccc21 ZINC000185567174 495624034 /nfs/dbraw/zinc/62/40/34/495624034.db2.gz FUURJVWAFOPZDO-WFDAIWPSSA-N 0 3 369.509 3.460 20 30 FGEDHN N#Cc1cccc(OCCN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179728281 495707075 /nfs/dbraw/zinc/70/70/75/495707075.db2.gz QCERNWXMNJJDQV-OAQYLSRUSA-N 0 3 350.418 3.449 20 30 FGEDHN N#Cc1ccc(OCCN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182853025 495728385 /nfs/dbraw/zinc/72/83/85/495728385.db2.gz SXRRNXXAJNSMFR-OAHLLOKOSA-N 0 3 364.371 3.489 20 30 FGEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173879865 495730170 /nfs/dbraw/zinc/73/01/70/495730170.db2.gz OIPCOYYHSNERQA-UHFFFAOYSA-N 0 3 363.417 3.175 20 30 FGEDHN C[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCOCC1 ZINC000179845696 495756660 /nfs/dbraw/zinc/75/66/60/495756660.db2.gz GISFXCUJASBHPE-LSDHHAIUSA-N 0 3 361.511 3.424 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)nc2Br)CC1 ZINC000151310434 495801377 /nfs/dbraw/zinc/80/13/77/495801377.db2.gz BLBGJNUBKVQHKL-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN CN1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000174099021 495819723 /nfs/dbraw/zinc/81/97/23/495819723.db2.gz GCIIXBXSYMQPHE-UHFFFAOYSA-N 0 3 362.433 3.091 20 30 FGEDHN CCC[C@H]1C[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000183140640 495852243 /nfs/dbraw/zinc/85/22/43/495852243.db2.gz GOIKCLNYRJDVHT-UXHICEINSA-N 0 3 357.498 3.044 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC000176955197 495855481 /nfs/dbraw/zinc/85/54/81/495855481.db2.gz SVOZWCUSZWTRHK-GFCCVEGCSA-N 0 3 356.369 3.168 20 30 FGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000183153359 495858283 /nfs/dbraw/zinc/85/82/83/495858283.db2.gz LBBATAXMOROCMK-INIZCTEOSA-N 0 3 359.433 3.423 20 30 FGEDHN C=C(C)COCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000151532464 495869478 /nfs/dbraw/zinc/86/94/78/495869478.db2.gz YENMGMXKALIVCW-ICSRJNTNSA-N 0 3 359.514 3.274 20 30 FGEDHN C#CCOc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000155232421 495884988 /nfs/dbraw/zinc/88/49/88/495884988.db2.gz UYZDOGZORJTRNE-QGZVFWFLSA-N 0 3 363.461 3.049 20 30 FGEDHN COc1ccc(CNCc2cccc(CN3CCO[C@H](C)C3)c2)cc1C#N ZINC000174304380 495901821 /nfs/dbraw/zinc/90/18/21/495901821.db2.gz LMOWYSZVDXCISQ-QGZVFWFLSA-N 0 3 365.477 3.077 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000174374615 495932711 /nfs/dbraw/zinc/93/27/11/495932711.db2.gz GPFPWHQOVBOBRM-IAGOWNOFSA-N 0 3 365.481 3.254 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)CC1 ZINC000180286700 495937311 /nfs/dbraw/zinc/93/73/11/495937311.db2.gz VYFSSZQILHNFRR-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000171639250 495960061 /nfs/dbraw/zinc/96/00/61/495960061.db2.gz OELYVXCIFUOLMA-UHFFFAOYSA-N 0 3 368.275 3.230 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000155478794 495968634 /nfs/dbraw/zinc/96/86/34/495968634.db2.gz CWFMIBXWOSOYDU-UHFFFAOYSA-N 0 3 355.482 3.052 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000171680215 495986761 /nfs/dbraw/zinc/98/67/61/495986761.db2.gz DYDOCFRQASSAEX-UHFFFAOYSA-N 0 3 353.470 3.261 20 30 FGEDHN COc1cc(CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1O ZINC000174537576 495999628 /nfs/dbraw/zinc/99/96/28/495999628.db2.gz QBXXWGYAIHVGLZ-UHFFFAOYSA-N 0 3 373.840 3.386 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000171716662 496003560 /nfs/dbraw/zinc/00/35/60/496003560.db2.gz JVLLMJNEAWBQGK-UHFFFAOYSA-N 0 3 358.873 3.121 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(COC(C)(C)C)c2)CC1 ZINC000171731681 496011183 /nfs/dbraw/zinc/01/11/83/496011183.db2.gz CQFYLJQXGNZGQE-UHFFFAOYSA-N 0 3 359.514 3.451 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000171737676 496014308 /nfs/dbraw/zinc/01/43/08/496014308.db2.gz YHHOZIARQULOJG-SFHVURJKSA-N 0 3 363.889 3.073 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(COCCOCC)c2)CC1 ZINC000171740358 496016107 /nfs/dbraw/zinc/01/61/07/496016107.db2.gz XOPRIDWQZXJECT-UHFFFAOYSA-N 0 3 361.486 3.012 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)CC1 ZINC000171741864 496016180 /nfs/dbraw/zinc/01/61/80/496016180.db2.gz KXTMHQURQXCFFA-LJQANCHMSA-N 0 3 367.497 3.368 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000171741864 496016183 /nfs/dbraw/zinc/01/61/83/496016183.db2.gz KXTMHQURQXCFFA-LJQANCHMSA-N 0 3 367.497 3.368 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1ccccc1C#N ZINC000160801347 496044603 /nfs/dbraw/zinc/04/46/03/496044603.db2.gz NDNDWPZCVPAWCR-JKSUJKDBSA-N 0 3 359.433 3.422 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cn(-c3ccccc3)nc2C)CC1 ZINC000183679135 496075581 /nfs/dbraw/zinc/07/55/81/496075581.db2.gz ZMHMPDQGGLQOAP-UHFFFAOYSA-N 0 3 353.470 3.343 20 30 FGEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(SC(F)F)cc1 ZINC000180877286 496182367 /nfs/dbraw/zinc/18/23/67/496182367.db2.gz CBHKRNLMWYVZJB-YOJQOHNYSA-N 0 3 367.421 3.178 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](CO)C(C)C)c1C#N ZINC000156270058 496202873 /nfs/dbraw/zinc/20/28/73/496202873.db2.gz KBTPIIJRHXGBDC-GOSISDBHSA-N 0 3 360.502 3.027 20 30 FGEDHN Cc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)nc(-c2cccnc2)n1 ZINC000161923920 496263911 /nfs/dbraw/zinc/26/39/11/496263911.db2.gz ZTGWCZMKCHPDEG-UHFFFAOYSA-N 0 3 372.476 3.287 20 30 FGEDHN CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2)n[nH]1 ZINC000152968151 496310962 /nfs/dbraw/zinc/31/09/62/496310962.db2.gz UNUUNWKGHSSZML-CQSZACIVSA-N 0 3 356.389 3.400 20 30 FGEDHN CCc1nc(-c2ccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cc2)n[nH]1 ZINC000152968151 496310966 /nfs/dbraw/zinc/31/09/66/496310966.db2.gz UNUUNWKGHSSZML-CQSZACIVSA-N 0 3 356.389 3.400 20 30 FGEDHN COc1ccc(CNC[C@](C)(O)c2cccs2)cc1OCCCC#N ZINC000153037761 496333794 /nfs/dbraw/zinc/33/37/94/496333794.db2.gz ZIGCDHBYCSXSJV-IBGZPJMESA-N 0 3 360.479 3.437 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000184335483 496340162 /nfs/dbraw/zinc/34/01/62/496340162.db2.gz NGJFZYHGGLURRQ-WMZOPIPTSA-N 0 3 366.465 3.272 20 30 FGEDHN CCCN(CC)c1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000187225043 496347344 /nfs/dbraw/zinc/34/73/44/496347344.db2.gz TVFGSDWWBCPCSC-MRXNPFEDSA-N 0 3 366.469 3.126 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000184360531 496351419 /nfs/dbraw/zinc/35/14/19/496351419.db2.gz PTINRFWKKFHFEJ-QGZVFWFLSA-N 0 3 353.426 3.430 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000578017454 505842821 /nfs/dbraw/zinc/84/28/21/505842821.db2.gz ACDCJJAQYCTVFH-GOSISDBHSA-N 0 3 367.497 3.024 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000172843759 496457992 /nfs/dbraw/zinc/45/79/92/496457992.db2.gz DFQQJBQWZITDNQ-CVEARBPZSA-N 0 3 368.399 3.455 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173115598 496555716 /nfs/dbraw/zinc/55/57/16/496555716.db2.gz QWBLUMKUUZJTGC-HOTGVXAUSA-N 0 3 356.495 3.416 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(F)c1F ZINC000175856417 496574926 /nfs/dbraw/zinc/57/49/26/496574926.db2.gz WZWNCDCHWOOLLG-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000173199235 496590461 /nfs/dbraw/zinc/59/04/61/496590461.db2.gz TYFNLWQSANBWAG-AWEZNQCLSA-N 0 3 351.878 3.057 20 30 FGEDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000173202037 496591184 /nfs/dbraw/zinc/59/11/84/496591184.db2.gz DFGAQNDRWHGEPH-HZPDHXFCSA-N 0 3 359.433 3.422 20 30 FGEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000164580035 496621007 /nfs/dbraw/zinc/62/10/07/496621007.db2.gz OKRVUMIVGRAZAX-VGOFRKELSA-N 0 3 369.509 3.093 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NC3CCN(CCc4ccccc4)CC3)CC2)cc1 ZINC000187986942 496640827 /nfs/dbraw/zinc/64/08/27/496640827.db2.gz BOWSHFIOTCZQES-UHFFFAOYSA-N 0 3 373.500 3.413 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NCC3(N4CCSCC4)CCCC3)CC2)cc1 ZINC000188004387 496648137 /nfs/dbraw/zinc/64/81/37/496648137.db2.gz FUVGTSZLAKTZTF-UHFFFAOYSA-N 0 3 369.534 3.068 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)c1cccc(SCC#N)c1 ZINC000176033611 496652186 /nfs/dbraw/zinc/65/21/86/496652186.db2.gz GECDMIHTAJBQBA-UHFFFAOYSA-N 0 3 369.490 3.173 20 30 FGEDHN N#Cc1ccc(CN2CCCN(C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000182161838 496692386 /nfs/dbraw/zinc/69/23/86/496692386.db2.gz ZRAGKWMSABIQQY-HSZRJFAPSA-N 0 3 363.505 3.060 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179157974 496696785 /nfs/dbraw/zinc/69/67/85/496696785.db2.gz ZQHDOKJVEXLYCS-FPOVZHCZSA-N 0 3 365.477 3.496 20 30 FGEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)CCc3ccccc3)CC2)c1 ZINC000182334538 496730115 /nfs/dbraw/zinc/73/01/15/496730115.db2.gz MHJMDZZBFPBZOS-FQEVSTJZSA-N 0 3 350.462 3.395 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2ccncc2)CC1 ZINC000191635195 496841093 /nfs/dbraw/zinc/84/10/93/496841093.db2.gz RSABDALYCCWXER-OAQYLSRUSA-N 0 3 352.478 3.429 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000195177600 496842382 /nfs/dbraw/zinc/84/23/82/496842382.db2.gz IFTPCRVLDKZXRP-QAPCUYQASA-N 0 3 351.454 3.193 20 30 FGEDHN C=CCCO[C@H](C)c1nc(-c2ccc(OCCN(C)C)c(OC)c2)no1 ZINC000273699222 496878225 /nfs/dbraw/zinc/87/82/25/496878225.db2.gz GHBQDPOCLTWLHK-CQSZACIVSA-N 0 3 361.442 3.339 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccc(OC)cc3)C2)CC1 ZINC000264394254 496891069 /nfs/dbraw/zinc/89/10/69/496891069.db2.gz OIQOPKUHNIIEGU-SFHVURJKSA-N 0 3 357.498 3.235 20 30 FGEDHN N#Cc1ccc(CN(CC(F)(F)F)C(=O)C2CCN(C3CC3)CC2)cc1 ZINC000195356207 496899792 /nfs/dbraw/zinc/89/97/92/496899792.db2.gz KBCQQFLXJQROFE-UHFFFAOYSA-N 0 3 365.399 3.324 20 30 FGEDHN Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000247731103 496910615 /nfs/dbraw/zinc/91/06/15/496910615.db2.gz UQUBLYBELQVVRF-QAPCUYQASA-N 0 3 357.479 3.072 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264691136 496965333 /nfs/dbraw/zinc/96/53/33/496965333.db2.gz ARQKKFYLKXUQIQ-IBGZPJMESA-N 0 3 355.482 3.194 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189137341 497020083 /nfs/dbraw/zinc/02/00/83/497020083.db2.gz XZDHNSAIGHRQPO-UTKZUKDTSA-N 0 3 359.473 3.227 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1cccc(F)c1C#N)C1CC1 ZINC000189173757 497033414 /nfs/dbraw/zinc/03/34/14/497033414.db2.gz SESASBFDCDYRNV-FQEVSTJZSA-N 0 3 351.425 3.338 20 30 FGEDHN Cn1cc(CN2CCC([C@H]3CCCO3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000189249845 497058649 /nfs/dbraw/zinc/05/86/49/497058649.db2.gz RNSDHTIQQMPTQC-HXUWFJFHSA-N 0 3 350.466 3.350 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000248648476 497071189 /nfs/dbraw/zinc/07/11/89/497071189.db2.gz UQVZJIUXFBSAFT-TWOQFEAHSA-N 0 3 351.450 3.133 20 30 FGEDHN COc1ccccc1S(=O)(=O)CCCNC1(c2cccc(C#N)c2)CC1 ZINC000274360854 497079896 /nfs/dbraw/zinc/07/98/96/497079896.db2.gz ZJZCCAQYZMYOTI-UHFFFAOYSA-N 0 3 370.474 3.010 20 30 FGEDHN CCc1nn(C)c(CC)c1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000270265243 497088827 /nfs/dbraw/zinc/08/88/27/497088827.db2.gz VAVLXJGXWHPZCW-UHFFFAOYSA-N 0 3 351.498 3.175 20 30 FGEDHN C=CC[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(CCC)cc1 ZINC000274711846 497149846 /nfs/dbraw/zinc/14/98/46/497149846.db2.gz ACFPOADBMPTZLS-UHFFFAOYSA-O 0 3 358.487 3.246 20 30 FGEDHN C[C@@H](O)CN(C1CCCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192574062 497153801 /nfs/dbraw/zinc/15/38/01/497153801.db2.gz SJDJUWMDXUWQTC-OXQOHEQNSA-N 0 3 355.482 3.069 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N[C@H](CCCO)c3ccccc3)C2=O)cc1 ZINC000192737286 497199805 /nfs/dbraw/zinc/19/98/05/497199805.db2.gz JNBAMIRIBSWATG-RTWAWAEBSA-N 0 3 363.461 3.157 20 30 FGEDHN C=CCc1cc(CNC(=O)C[C@H](N)c2ccccc2)cc(OC)c1OC ZINC000237343337 497223273 /nfs/dbraw/zinc/22/32/73/497223273.db2.gz AUWBCYLJBQHUHN-SFHVURJKSA-N 0 3 354.450 3.139 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@H](C)[C@@H](N)c2ccccc2)cc(OC)c1OC ZINC000237352529 497223944 /nfs/dbraw/zinc/22/39/44/497223944.db2.gz YOVLONSERMJMPA-FOIQADDNSA-N 0 3 368.477 3.385 20 30 FGEDHN Cc1cccc(OC[C@@H](O)CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000574964203 505892850 /nfs/dbraw/zinc/89/28/50/505892850.db2.gz BJPLABSZXYGGAN-INIZCTEOSA-N 0 3 364.367 3.415 20 30 FGEDHN Cn1cc(Br)cc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000192922034 497247838 /nfs/dbraw/zinc/24/78/38/497247838.db2.gz JHQOYAFHQHQONX-LLVKDONJSA-N 0 3 355.195 3.221 20 30 FGEDHN C=CCc1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc(OC)c1OC ZINC000271073005 497258468 /nfs/dbraw/zinc/25/84/68/497258468.db2.gz YTTGOOHWCHQSGO-OAHLLOKOSA-N 0 3 360.498 3.235 20 30 FGEDHN N#CC(CCN1CCC(CC(N)=O)CC1)(c1ccccc1)c1ccccc1 ZINC000193043130 497284590 /nfs/dbraw/zinc/28/45/90/497284590.db2.gz QAFSVKAYGLFUBL-UHFFFAOYSA-N 0 3 361.489 3.474 20 30 FGEDHN CN(C)C1(CN(C)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000189939436 497300342 /nfs/dbraw/zinc/30/03/42/497300342.db2.gz BZSFVVYQFPDSTE-UHFFFAOYSA-N 0 3 367.415 3.183 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nc2ccccc2n1C)C(C)C ZINC000193312769 497347213 /nfs/dbraw/zinc/34/72/13/497347213.db2.gz DIRRQHNEVXSMOT-LJQANCHMSA-N 0 3 369.513 3.071 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cccc(F)c3C#N)CC2)C[C@@H](C)O1 ZINC000190134976 497370489 /nfs/dbraw/zinc/37/04/89/497370489.db2.gz NEQIHBKIKPPEJA-HZPDHXFCSA-N 0 3 373.472 3.049 20 30 FGEDHN CC1(C)CN(C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000190155320 497380085 /nfs/dbraw/zinc/38/00/85/497380085.db2.gz PFKBORQOSYCKPS-HOCLYGCPSA-N 0 3 356.388 3.208 20 30 FGEDHN C#CC[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000271551016 497380786 /nfs/dbraw/zinc/38/07/86/497380786.db2.gz QPZFSYZMBSOJIA-OAQYLSRUSA-N 0 3 362.477 3.362 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C#N)c1C ZINC000279248373 497381568 /nfs/dbraw/zinc/38/15/68/497381568.db2.gz KXKNUEACBNHUAR-KBRIMQKVSA-N 0 3 359.495 3.112 20 30 FGEDHN Cc1nc2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2o1 ZINC000279265115 497387463 /nfs/dbraw/zinc/38/74/63/497387463.db2.gz IPJNTWLEQABWER-UHFFFAOYSA-N 0 3 362.433 3.212 20 30 FGEDHN CN(C[C@@H]1OCCc2ccccc21)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279267324 497387653 /nfs/dbraw/zinc/38/76/53/497387653.db2.gz IVIXOLGVGVDAJV-CTNGQTDRSA-N 0 3 359.429 3.013 20 30 FGEDHN N#Cc1cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)ccn1 ZINC000193587488 497420736 /nfs/dbraw/zinc/42/07/36/497420736.db2.gz KGKWXXCJSPDSSP-UHFFFAOYSA-N 0 3 350.422 3.070 20 30 FGEDHN CN(CCSCC(=O)N(CC#N)c1ccccc1)Cc1ccccc1 ZINC000193620453 497429111 /nfs/dbraw/zinc/42/91/11/497429111.db2.gz GVYPQEPSRLVMMV-UHFFFAOYSA-N 0 3 353.491 3.408 20 30 FGEDHN C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000271777501 497446465 /nfs/dbraw/zinc/44/64/65/497446465.db2.gz KGJDCYLNFAYMTC-QGZVFWFLSA-N 0 3 362.477 3.125 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N(C)c1ccc(F)cc1 ZINC000190526044 497517176 /nfs/dbraw/zinc/51/71/76/497517176.db2.gz RINLWVSGKIQSOG-UHFFFAOYSA-N 0 3 354.429 3.317 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cnccc3-n3cccn3)CC2)cc1 ZINC000272089304 497533501 /nfs/dbraw/zinc/53/35/01/497533501.db2.gz XLSYRYOUUXJDLD-UHFFFAOYSA-N 0 3 358.449 3.215 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCC#Cc2ccccc2)CC1 ZINC000267380488 497539188 /nfs/dbraw/zinc/53/91/88/497539188.db2.gz VDDIWEOQNBROEA-UHFFFAOYSA-N 0 3 361.489 3.344 20 30 FGEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)cc1 ZINC000190603955 497542451 /nfs/dbraw/zinc/54/24/51/497542451.db2.gz PEDGLORWLPTHPB-RTWAWAEBSA-N 0 3 363.461 3.409 20 30 FGEDHN C[C@@H](CCc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190628065 497551946 /nfs/dbraw/zinc/55/19/46/497551946.db2.gz FYEWLAAWVBVJQY-HRAATJIYSA-N 0 3 365.452 3.409 20 30 FGEDHN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000279846444 497561718 /nfs/dbraw/zinc/56/17/18/497561718.db2.gz APLTXIHKKWHICL-NDXORKPFSA-N 0 3 360.461 3.048 20 30 FGEDHN C#CCC1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCCC1 ZINC000276538885 497595674 /nfs/dbraw/zinc/59/56/74/497595674.db2.gz NIKGBPKSZUVUEW-UHFFFAOYSA-N 0 3 368.521 3.233 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272404556 497619068 /nfs/dbraw/zinc/61/90/68/497619068.db2.gz BGKFVBJLJCSTNW-IEBWSBKVSA-N 0 3 354.498 3.232 20 30 FGEDHN CO[C@@H]1CCC[C@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000280030034 497625070 /nfs/dbraw/zinc/62/50/70/497625070.db2.gz VYGSABSQKCOSEW-VQTJNVASSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000268059117 497670640 /nfs/dbraw/zinc/67/06/40/497670640.db2.gz VGVXYQGOQGDGJG-IFXJQAMLSA-N 0 3 369.415 3.477 20 30 FGEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280207661 497681571 /nfs/dbraw/zinc/68/15/71/497681571.db2.gz UYSRDLUJMOAWBD-DJKXOVBDSA-N 0 3 365.408 3.272 20 30 FGEDHN COc1ccc(C[C@H](C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000280232597 497689177 /nfs/dbraw/zinc/68/91/77/497689177.db2.gz WGOZZOADPOTWMY-OXJNMPFZSA-N 0 3 361.445 3.244 20 30 FGEDHN CCOCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280242048 497693791 /nfs/dbraw/zinc/69/37/91/497693791.db2.gz WTWXHBHQTLMFCK-LJQANCHMSA-N 0 3 353.466 3.344 20 30 FGEDHN Cn1cc(CN[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000191058725 497696420 /nfs/dbraw/zinc/69/64/20/497696420.db2.gz GGLAFCQFDYERSK-QGZVFWFLSA-N 0 3 362.399 3.280 20 30 FGEDHN N#Cc1ccc(CN(C[C@H](O)COCc2ccccc2F)C2CC2)cc1 ZINC000194539979 497698831 /nfs/dbraw/zinc/69/88/31/497698831.db2.gz VQRQSNBHPUHFDU-FQEVSTJZSA-N 0 3 354.425 3.239 20 30 FGEDHN CC(C)[C@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000272707818 497708792 /nfs/dbraw/zinc/70/87/92/497708792.db2.gz HQROERZRAWNKPB-WIYYLYMNSA-N 0 3 371.525 3.290 20 30 FGEDHN Cc1ccc(N2CCC[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000280304384 497713592 /nfs/dbraw/zinc/71/35/92/497713592.db2.gz FUAGUSLSUOBHLB-SFTDATJTSA-N 0 3 372.472 3.334 20 30 FGEDHN C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C1=CCN(C)CC1 ZINC000272841105 497743553 /nfs/dbraw/zinc/74/35/53/497743553.db2.gz ZSFOHWINBXDWEE-HNNXBMFYSA-N 0 3 365.433 3.110 20 30 FGEDHN COC(=O)Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000272962515 497772401 /nfs/dbraw/zinc/77/24/01/497772401.db2.gz WHQKDZCTUJVWIL-UHFFFAOYSA-N 0 3 363.461 3.350 20 30 FGEDHN C[C@]1(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CCO[C@H]1C1CC1 ZINC000329559979 497828788 /nfs/dbraw/zinc/82/87/88/497828788.db2.gz MCKKOPNUQUEEBR-AYBZRNKSSA-N 0 3 363.527 3.346 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000299540043 497840676 /nfs/dbraw/zinc/84/06/76/497840676.db2.gz SEBFEZUOKSEHPW-UHFFFAOYSA-N 0 3 367.474 3.284 20 30 FGEDHN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000295894139 497845373 /nfs/dbraw/zinc/84/53/73/497845373.db2.gz HZQVKPWCNGYWQI-RTBURBONSA-N 0 3 367.497 3.026 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(O)c(OC)cc1Br ZINC000280677240 497853413 /nfs/dbraw/zinc/85/34/13/497853413.db2.gz MVRJTNKBUATPTM-BDJLRTHQSA-N 0 3 356.260 3.234 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H]2CCCc3occc32)c(OC)c1 ZINC000575174762 505936872 /nfs/dbraw/zinc/93/68/72/505936872.db2.gz RTCQRAKDKUUNHC-SJLPKXTDSA-N 0 3 357.450 3.424 20 30 FGEDHN C[C@H](NC1(CNC(=O)[C@@H]2C[C@]23CCOC3)CCOCC1)c1ccccc1 ZINC000329682299 497867213 /nfs/dbraw/zinc/86/72/13/497867213.db2.gz XHRGZBDIKDDGJI-QRFRQXIXSA-N 0 3 358.482 3.270 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(CCOCC2)[C@H]1C ZINC000329697250 497872963 /nfs/dbraw/zinc/87/29/63/497872963.db2.gz YFFKPWMSMWUJRO-LSDHHAIUSA-N 0 3 360.454 3.325 20 30 FGEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(CCOCC2)[C@H]1C ZINC000329697249 497873796 /nfs/dbraw/zinc/87/37/96/497873796.db2.gz YFFKPWMSMWUJRO-HUUCEWRRSA-N 0 3 360.454 3.325 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329716629 497878071 /nfs/dbraw/zinc/87/80/71/497878071.db2.gz WROOTDQYXQLUAY-FRFSOERESA-N 0 3 352.523 3.096 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CCN1C ZINC000329733258 497882951 /nfs/dbraw/zinc/88/29/51/497882951.db2.gz QRTGLNVFHCIABX-DGCLKSJQSA-N 0 3 359.451 3.326 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000364334485 497905170 /nfs/dbraw/zinc/90/51/70/497905170.db2.gz FXAJHTOIYPVYFH-FQEVSTJZSA-N 0 3 367.474 3.470 20 30 FGEDHN COCC[C@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000284818297 497911153 /nfs/dbraw/zinc/91/11/53/497911153.db2.gz PQSNAMPRUMOBNX-INIZCTEOSA-N 0 3 372.296 3.423 20 30 FGEDHN COCCN(C)CC[C@H](Nc1nccc(C#N)c1Cl)c1ccccc1 ZINC000569486621 505946715 /nfs/dbraw/zinc/94/67/15/505946715.db2.gz YHOLCHDMAYEVJE-KRWDZBQOSA-N 0 3 358.873 3.150 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000329844808 497923622 /nfs/dbraw/zinc/92/36/22/497923622.db2.gz QAQCAWMJNIYEQX-HZPDHXFCSA-N 0 3 374.481 3.293 20 30 FGEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCCOc2cccc(C#N)c2)cc1 ZINC000284880996 497931252 /nfs/dbraw/zinc/93/12/52/497931252.db2.gz VTRIPECPOHEZQS-MRXNPFEDSA-N 0 3 372.490 3.472 20 30 FGEDHN [O-]C(NC[C@H]1CCc2nccn2C1)=[NH+]CC1(c2ccc(F)cc2)CCC1 ZINC000329894742 497942771 /nfs/dbraw/zinc/94/27/71/497942771.db2.gz BOWQJBSXOWZASD-OAHLLOKOSA-N 0 3 356.445 3.210 20 30 FGEDHN [O-]C(NCC1(c2ccc(F)cc2)CCC1)=[NH+]C[C@H]1CCc2nccn2C1 ZINC000329894742 497942777 /nfs/dbraw/zinc/94/27/77/497942777.db2.gz BOWQJBSXOWZASD-OAHLLOKOSA-N 0 3 356.445 3.210 20 30 FGEDHN C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCCCN2C2CC2)C1=O ZINC000329939047 497961556 /nfs/dbraw/zinc/96/15/56/497961556.db2.gz FJLYPODHFACEBO-DOTOQJQBSA-N 0 3 371.481 3.164 20 30 FGEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000285017357 497970853 /nfs/dbraw/zinc/97/08/53/497970853.db2.gz GSWPENDBTVZXAS-FUHWJXTLSA-N 0 3 366.461 3.255 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3cc(OC)c(Cl)cc3C2)CC1 ZINC000296271097 497978993 /nfs/dbraw/zinc/97/89/93/497978993.db2.gz DGXSABQHVJMXEO-UHFFFAOYSA-N 0 3 363.889 3.067 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000285057375 497982467 /nfs/dbraw/zinc/98/24/67/497982467.db2.gz IBIZSBZEDKIVJB-VHSXEESVSA-N 0 3 350.267 3.160 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000330005090 497987610 /nfs/dbraw/zinc/98/76/10/497987610.db2.gz BPAHEBFWMDBCHP-FGTMMUONSA-N 0 3 367.559 3.127 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(CC#N)cc2)CN1Cc1ccccc1 ZINC000578527024 505961519 /nfs/dbraw/zinc/96/15/19/505961519.db2.gz WIFWZENRPNNSLA-UTKZUKDTSA-N 0 3 362.477 3.215 20 30 FGEDHN CC(C)(C)CCN1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330038148 497999463 /nfs/dbraw/zinc/99/94/63/497999463.db2.gz ZSDXLDFLBXGQJA-UHFFFAOYSA-N 0 3 363.546 3.492 20 30 FGEDHN C[C@@H]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)O1 ZINC000330073679 498010660 /nfs/dbraw/zinc/01/06/60/498010660.db2.gz FFAUCAAWACRKAU-RDTXWAMCSA-N 0 3 350.434 3.193 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000330085547 498016578 /nfs/dbraw/zinc/01/65/78/498016578.db2.gz CXEDLDLSQFZIHD-SUMWQHHRSA-N 0 3 359.861 3.097 20 30 FGEDHN CN1CCN(CCC(C)(C)NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000330188071 498054875 /nfs/dbraw/zinc/05/48/75/498054875.db2.gz UFBHYXKFOJBNJR-UHFFFAOYSA-N 0 3 362.518 3.443 20 30 FGEDHN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCN1C1CC1 ZINC000330206774 498061868 /nfs/dbraw/zinc/06/18/68/498061868.db2.gz FLSNMCWMDUQYPX-HNNXBMFYSA-N 0 3 350.846 3.237 20 30 FGEDHN Cc1nc(NCc2ccccc2CN2CC[C@@H](O)C2)c(Cl)cc1C#N ZINC000292579171 498066218 /nfs/dbraw/zinc/06/62/18/498066218.db2.gz KUNGCRLJKLEHQG-QGZVFWFLSA-N 0 3 356.857 3.094 20 30 FGEDHN Cc1nc(NCc2ccccc2CN2CC[C@H](O)C2)c(Cl)cc1C#N ZINC000292579153 498066971 /nfs/dbraw/zinc/06/69/71/498066971.db2.gz KUNGCRLJKLEHQG-KRWDZBQOSA-N 0 3 356.857 3.094 20 30 FGEDHN CC(C)[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)N1CCN(C)CC1 ZINC000301355236 498072547 /nfs/dbraw/zinc/07/25/47/498072547.db2.gz KGCBZNNDGQHNDC-QGZVFWFLSA-N 0 3 354.420 3.261 20 30 FGEDHN CCc1ccc([C@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC000281261241 498077840 /nfs/dbraw/zinc/07/78/40/498077840.db2.gz QQNFFOBUHGWLSS-FGZHOGPDSA-N 0 3 373.456 3.403 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCc3sc(C)nc32)CC1 ZINC000364718796 498110059 /nfs/dbraw/zinc/11/00/59/498110059.db2.gz XXCGFLZDPBVORF-HNNXBMFYSA-N 0 3 362.543 3.211 20 30 FGEDHN N#Cc1ccccc1CSCCNCc1cnc(C2OCCO2)s1 ZINC000289365010 498121657 /nfs/dbraw/zinc/12/16/57/498121657.db2.gz ZCJAFUJUSJFMRL-UHFFFAOYSA-N 0 3 361.492 3.083 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1C(F)F ZINC000330502457 498143194 /nfs/dbraw/zinc/14/31/94/498143194.db2.gz WWUMXSMDRJRHRO-OLZOCXBDSA-N 0 3 357.449 3.437 20 30 FGEDHN COc1cc(Br)cc(NC(=O)NCCN2CCCCC2)c1 ZINC000330559260 498151582 /nfs/dbraw/zinc/15/15/82/498151582.db2.gz IPUJGSLMAWMZDJ-UHFFFAOYSA-N 0 3 356.264 3.270 20 30 FGEDHN CN1CCC[C@]2(CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C2)C1 ZINC000296830984 498214325 /nfs/dbraw/zinc/21/43/25/498214325.db2.gz YANDHUDDQSDHPL-QHCPKHFHSA-N 0 3 374.488 3.431 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301668798 498214670 /nfs/dbraw/zinc/21/46/70/498214670.db2.gz PMFIBYGTXXYLIV-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN CC(C)[C@@]1(CO)CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000293034170 498244048 /nfs/dbraw/zinc/24/40/48/498244048.db2.gz LNURIXCBABERAX-NRFANRHFSA-N 0 3 352.482 3.189 20 30 FGEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000578758944 506015186 /nfs/dbraw/zinc/01/51/86/506015186.db2.gz GTVXXCCNEIQCHZ-SJLPKXTDSA-N 0 3 371.456 3.475 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281961107 498335369 /nfs/dbraw/zinc/33/53/69/498335369.db2.gz GEDPFIYVVRPVGH-UYAOXDASSA-N 0 3 350.466 3.004 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCc3ccccc32)cc1 ZINC000569799427 506019186 /nfs/dbraw/zinc/01/91/86/506019186.db2.gz PRWBIRKPRQSQLE-SFHVURJKSA-N 0 3 354.475 3.042 20 30 FGEDHN CN(C)CCNC(=O)c1cccc(CNc2ccc3cc(C#N)ccc3n2)c1 ZINC000301985951 498356648 /nfs/dbraw/zinc/35/66/48/498356648.db2.gz TZWRTDZSVVGKCI-UHFFFAOYSA-N 0 3 373.460 3.010 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000578860612 506039237 /nfs/dbraw/zinc/03/92/37/506039237.db2.gz YIPUAMCEVUDOJF-SFTDATJTSA-N 0 3 371.912 3.420 20 30 FGEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000365333774 498410002 /nfs/dbraw/zinc/41/00/02/498410002.db2.gz HFSRDLCGXKXOIJ-NSISKUIASA-N 0 3 373.497 3.262 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282203266 498421345 /nfs/dbraw/zinc/42/13/45/498421345.db2.gz XJHZTISSZNGBFX-SFHVURJKSA-N 0 3 350.466 3.479 20 30 FGEDHN Cc1ncc(CN2CC[C@H](NCc3ccc(C#N)cc3F)[C@@H](C)C2)s1 ZINC000362217970 498476628 /nfs/dbraw/zinc/47/66/28/498476628.db2.gz HGQCJLJMDZNPDG-DJJJIMSYSA-N 0 3 358.486 3.463 20 30 FGEDHN Cc1nn(C)cc1[C@@H]1CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000362812203 498558310 /nfs/dbraw/zinc/55/83/10/498558310.db2.gz AVCPPIYCKIOBCK-SFHVURJKSA-N 0 3 371.872 3.419 20 30 FGEDHN C[C@H](NC(=O)Nc1cccc(OCC#N)c1)[C@H](c1ccccc1)N(C)C ZINC000286954988 498567238 /nfs/dbraw/zinc/56/72/38/498567238.db2.gz JHWCCWKFGWSEOK-HNAYVOBHSA-N 0 3 352.438 3.402 20 30 FGEDHN N#Cc1ccsc1C(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000365744387 498621418 /nfs/dbraw/zinc/62/14/18/498621418.db2.gz WUKNTJIFKHYIBC-QZTJIDSGSA-N 0 3 351.475 3.214 20 30 FGEDHN N#CCC1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000569994773 506064401 /nfs/dbraw/zinc/06/44/01/506064401.db2.gz MJFXGNGGCCPJMI-GOSISDBHSA-N 0 3 361.436 3.296 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282723964 498627122 /nfs/dbraw/zinc/62/71/22/498627122.db2.gz KWWJUGRUNDFPIX-LJQANCHMSA-N 0 3 351.450 3.490 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H](c3ccccc3)C2)nc1 ZINC000578996218 506070034 /nfs/dbraw/zinc/07/00/34/506070034.db2.gz IMNXWGQXTZHRRC-RBUKOAKNSA-N 0 3 369.490 3.043 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)cc1 ZINC000332370935 498665684 /nfs/dbraw/zinc/66/56/84/498665684.db2.gz YJSLTOPQQMLHGR-QLFBSQMISA-N 0 3 363.483 3.463 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 ZINC000579020219 506075709 /nfs/dbraw/zinc/07/57/09/506075709.db2.gz DZTWKQWAHFBNLC-SFHVURJKSA-N 0 3 356.857 3.420 20 30 FGEDHN C=CCN1CCC(NC(=O)c2sc(-c3c(C)noc3C)nc2C)CC1 ZINC000294535708 498722862 /nfs/dbraw/zinc/72/28/62/498722862.db2.gz HSYVMQOEDOHMCE-UHFFFAOYSA-N 0 3 360.483 3.104 20 30 FGEDHN C#CCOc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000363251743 498728539 /nfs/dbraw/zinc/72/85/39/498728539.db2.gz JJXCZAFTGCTFEW-LPHOPBHVSA-N 0 3 354.475 3.183 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1 ZINC000287544142 498792758 /nfs/dbraw/zinc/79/27/58/498792758.db2.gz JIKFFMYFIAENHN-CJNGLKHVSA-N 0 3 361.467 3.217 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000287544149 498792725 /nfs/dbraw/zinc/79/27/25/498792725.db2.gz JIKFFMYFIAENHN-CZUORRHYSA-N 0 3 361.467 3.217 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2cccc(F)c2Br)CC1 ZINC000294769462 498799555 /nfs/dbraw/zinc/79/95/55/498799555.db2.gz YZNGRMKYAPBDBY-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000570112887 506093669 /nfs/dbraw/zinc/09/36/69/506093669.db2.gz KBKIXULXIKNRCM-KXBFYZLASA-N 0 3 352.434 3.077 20 30 FGEDHN C=CCC(F)(F)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000294945833 498858541 /nfs/dbraw/zinc/85/85/41/498858541.db2.gz IHHORZOZXCCWBB-UHFFFAOYSA-N 0 3 366.412 3.052 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OCC3CCCC3)CC2)cc1 ZINC000366343818 498883213 /nfs/dbraw/zinc/88/32/13/498883213.db2.gz VGTQRXJTQXBELG-FQEVSTJZSA-N 0 3 365.477 3.438 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000579104813 506095787 /nfs/dbraw/zinc/09/57/87/506095787.db2.gz IDOGDFWVAGOKNF-SFHVURJKSA-N 0 3 368.506 3.450 20 30 FGEDHN CCN1CCC(NC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)CC1 ZINC000328690319 498903003 /nfs/dbraw/zinc/90/30/03/498903003.db2.gz DJHDDAZVMFCFNO-INIZCTEOSA-N 0 3 374.510 3.068 20 30 FGEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000366391920 498906337 /nfs/dbraw/zinc/90/63/37/498906337.db2.gz LWSMVGWWRKMCBL-FCHUYYIVSA-N 0 3 372.472 3.021 20 30 FGEDHN Cn1cc(C(=O)NCCN2CCC3(CCCCC3)CC2)c([C@H]2CCOC2)n1 ZINC000328707944 498909042 /nfs/dbraw/zinc/90/90/42/498909042.db2.gz LZQKMGKZKVANCG-KRWDZBQOSA-N 0 3 374.529 3.275 20 30 FGEDHN CN(C(=O)NCc1ccc(CC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000582000738 506110263 /nfs/dbraw/zinc/11/02/63/506110263.db2.gz ZJJJKXOLWNYSOS-NRFANRHFSA-N 0 3 362.477 3.169 20 30 FGEDHN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000328722540 498915306 /nfs/dbraw/zinc/91/53/06/498915306.db2.gz ABIJHFWYVAIHMA-GDBMZVCRSA-N 0 3 362.470 3.429 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291529283 498978870 /nfs/dbraw/zinc/97/88/70/498978870.db2.gz NFZVUUKOTXWLNF-CRAIPNDOSA-N 0 3 350.374 3.200 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1F)C1CCN(C)CC1 ZINC000366651703 499019661 /nfs/dbraw/zinc/01/96/61/499019661.db2.gz HCFDOODZYPEBEX-UHFFFAOYSA-N 0 3 355.413 3.335 20 30 FGEDHN Cn1cc(-c2ccccc2CNC(=O)N2CCCC23CCN(C)CC3)cn1 ZINC000329032109 499020438 /nfs/dbraw/zinc/02/04/38/499020438.db2.gz BGLZEXQGLOHNRC-UHFFFAOYSA-N 0 3 367.497 3.061 20 30 FGEDHN C[C@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000329087378 499038498 /nfs/dbraw/zinc/03/84/98/499038498.db2.gz VCLTVEHLNLOAMT-UONOGXRCSA-N 0 3 361.442 3.328 20 30 FGEDHN Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000329147039 499055642 /nfs/dbraw/zinc/05/56/42/499055642.db2.gz OSAGSEVKAXDIAQ-CQSZACIVSA-N 0 3 355.486 3.409 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)[C@@H]3CCn4cncc4C3)cc2)CC1 ZINC000329158135 499058474 /nfs/dbraw/zinc/05/84/74/499058474.db2.gz WUGQSPKFUXOFEG-QGZVFWFLSA-N 0 3 368.481 3.075 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000299479567 499070979 /nfs/dbraw/zinc/07/09/79/499070979.db2.gz BDVNNGIZDZKAQC-HXUWFJFHSA-N 0 3 367.424 3.081 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329219785 499075519 /nfs/dbraw/zinc/07/55/19/499075519.db2.gz STCNCZROWVKIJG-IFXJQAMLSA-N 0 3 359.495 3.446 20 30 FGEDHN CCn1ncc(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1C(F)(F)F ZINC000329261211 499086424 /nfs/dbraw/zinc/08/64/24/499086424.db2.gz ZDHIZRVDQTVZSD-VXGBXAGGSA-N 0 3 359.396 3.026 20 30 FGEDHN CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccn1 ZINC000329271467 499088760 /nfs/dbraw/zinc/08/87/60/499088760.db2.gz IBXFSNDSYGTPBW-YTQUADARSA-N 0 3 374.529 3.335 20 30 FGEDHN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)C1=CCN(C)CC1 ZINC000329300492 499093350 /nfs/dbraw/zinc/09/33/50/499093350.db2.gz MMIIXUJRPHGCAL-DOTOQJQBSA-N 0 3 362.518 3.162 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cnc1N1CCCC[C@@H]1C ZINC000329335448 499102872 /nfs/dbraw/zinc/10/28/72/499102872.db2.gz LGAGZVAUJUZXHM-JENIJYKNSA-N 0 3 371.529 3.340 20 30 FGEDHN Cc1cc(N2C[C@H](C(=O)N[C@H](C)C3=CCN(C)CC3)CC2=O)ccc1F ZINC000329339063 499103657 /nfs/dbraw/zinc/10/36/57/499103657.db2.gz NMYLZLFADAKYBK-GDBMZVCRSA-N 0 3 359.445 3.094 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000284426297 499105329 /nfs/dbraw/zinc/10/53/29/499105329.db2.gz ADQHDZHDKJQRSA-IBGZPJMESA-N 0 3 352.438 3.186 20 30 FGEDHN O=C(Nc1c[nH]nc1[C@H]1CCCN(CC2(O)CCC2)C1)c1ccccc1 ZINC000329388814 499113620 /nfs/dbraw/zinc/11/36/20/499113620.db2.gz RMGXHFUHMCZTKB-INIZCTEOSA-N 0 3 354.454 3.140 20 30 FGEDHN C#CC[C@@H](NC(=O)N(C)C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000366955971 499121999 /nfs/dbraw/zinc/12/19/99/499121999.db2.gz VPZWBLYCFWWWMJ-OAQYLSRUSA-N 0 3 362.477 3.456 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cc2n(n1)CCO2 ZINC000329442221 499122447 /nfs/dbraw/zinc/12/24/47/499122447.db2.gz BOZYAWKVRVPUCH-GOSISDBHSA-N 0 3 368.481 3.053 20 30 FGEDHN C[C@H](NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)C1=CCN(C)CC1 ZINC000329524443 499129287 /nfs/dbraw/zinc/12/92/87/499129287.db2.gz SETDBSHMBXLAKG-HRAATJIYSA-N 0 3 355.482 3.288 20 30 FGEDHN N#CCSCCCN1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000369838259 499136212 /nfs/dbraw/zinc/13/62/12/499136212.db2.gz RZZZGKZCMVGTFC-UHFFFAOYSA-N 0 3 367.522 3.303 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000369891093 499146015 /nfs/dbraw/zinc/14/60/15/499146015.db2.gz FWTBSYKDAFZJRH-IAGOWNOFSA-N 0 3 350.466 3.383 20 30 FGEDHN C=CC[C@@H](CC)NC(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000370005623 499165061 /nfs/dbraw/zinc/16/50/61/499165061.db2.gz HZWFZLMHGLPJAQ-QXAKKESOSA-N 0 3 361.534 3.189 20 30 FGEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1C#N ZINC000368221573 499275503 /nfs/dbraw/zinc/27/55/03/499275503.db2.gz IXCPSPYXZIOKNU-KPOBHBOGSA-N 0 3 366.440 3.059 20 30 FGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCc3cnn(CCOC)c32)cc1 ZINC000368357737 499288604 /nfs/dbraw/zinc/28/86/04/499288604.db2.gz NDVFONZTYXQRAZ-OXQOHEQNSA-N 0 3 353.466 3.270 20 30 FGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCc3cnn(CCOC)c32)cc1 ZINC000368357738 499288616 /nfs/dbraw/zinc/28/86/16/499288616.db2.gz NDVFONZTYXQRAZ-UZLBHIALSA-N 0 3 353.466 3.270 20 30 FGEDHN C=CCN(C(=O)N[C@@H](C)C1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368388903 499291512 /nfs/dbraw/zinc/29/15/12/499291512.db2.gz DTUVJDSSCNXSAL-GHTZIAJQSA-N 0 3 371.525 3.274 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000368609371 499313313 /nfs/dbraw/zinc/31/33/13/499313313.db2.gz XRXCUYYDGIIUIJ-QGZVFWFLSA-N 0 3 353.853 3.464 20 30 FGEDHN C#CCN1CCC(C(=O)N(CC)[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000371497100 499334459 /nfs/dbraw/zinc/33/44/59/499334459.db2.gz IYSIFPMHDDIHNH-UGKGYDQZSA-N 0 3 367.537 3.016 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000368839140 499338205 /nfs/dbraw/zinc/33/82/05/499338205.db2.gz RIQMMSXZJMCPCL-UHFFFAOYSA-N 0 3 363.465 3.090 20 30 FGEDHN C=CCCC(=O)Nc1ccc(Cl)cc1C(=O)N(C)C1CCN(C)CC1 ZINC000368869367 499341761 /nfs/dbraw/zinc/34/17/61/499341761.db2.gz PZLCYCHALITQPQ-UHFFFAOYSA-N 0 3 363.889 3.411 20 30 FGEDHN C=CCN(C(=O)CCc1c(C)n[nH]c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000371589003 499344973 /nfs/dbraw/zinc/34/49/73/499344973.db2.gz BSFLFOJIPFSCER-HXUWFJFHSA-N 0 3 366.509 3.248 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000369073079 499362843 /nfs/dbraw/zinc/36/28/43/499362843.db2.gz GJPUHULYQGWTCT-HXUWFJFHSA-N 0 3 368.456 3.260 20 30 FGEDHN C[C@@H](N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)s1 ZINC000369225394 499379653 /nfs/dbraw/zinc/37/96/53/499379653.db2.gz IVSIGFKUCYKQSJ-GDBMZVCRSA-N 0 3 363.490 3.468 20 30 FGEDHN COC[C@@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000372093202 499398473 /nfs/dbraw/zinc/39/84/73/499398473.db2.gz BZQKTFXWRRDBPP-ZWKOTPCHSA-N 0 3 373.497 3.079 20 30 FGEDHN COc1ccc2c(c1)CCN(CCC(=O)Nc1sccc1C#N)CC2 ZINC000369427897 499402468 /nfs/dbraw/zinc/40/24/68/499402468.db2.gz QMJAKUJTHGLZKA-UHFFFAOYSA-N 0 3 355.463 3.058 20 30 FGEDHN C=CCN(C(=O)NCCc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372174031 499405733 /nfs/dbraw/zinc/40/57/33/499405733.db2.gz VJSWNXDNXHYMLK-OAQYLSRUSA-N 0 3 364.493 3.096 20 30 FGEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000372291128 499417214 /nfs/dbraw/zinc/41/72/14/499417214.db2.gz GKKIWZIGRIFLBV-IZZBFERCSA-N 0 3 356.510 3.352 20 30 FGEDHN C=CC[C@@H]1N(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)CCCC1(C)C ZINC000369696679 499437525 /nfs/dbraw/zinc/43/75/25/499437525.db2.gz YDNOSSRIZPXSSY-KRWDZBQOSA-N 0 3 359.518 3.170 20 30 FGEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000373601459 499479080 /nfs/dbraw/zinc/47/90/80/499479080.db2.gz OEDXAVPOJOAMMP-FYZZASKESA-N 0 3 356.510 3.352 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375201615 499495200 /nfs/dbraw/zinc/49/52/00/499495200.db2.gz RGDLQCCTDKYLQH-GOSISDBHSA-N 0 3 362.408 3.123 20 30 FGEDHN Cc1nc(CO[C@H]2CCN(CCCOc3ccc(C#N)cc3)C2)cs1 ZINC000375396230 499513798 /nfs/dbraw/zinc/51/37/98/499513798.db2.gz UOZPJDTWCZYMLM-IBGZPJMESA-N 0 3 357.479 3.383 20 30 FGEDHN Cc1ncc(CN2CC[C@@H](NCc3cc(C#N)ccc3F)[C@@H](C)C2)s1 ZINC000375514374 499527339 /nfs/dbraw/zinc/52/73/39/499527339.db2.gz NPVVRZQOUQRIGE-ORAYPTAESA-N 0 3 358.486 3.463 20 30 FGEDHN COc1ccc([C@@H](CCC#N)NC2CCN(c3ncccn3)CC2)cc1 ZINC000375534626 499529466 /nfs/dbraw/zinc/52/94/66/499529466.db2.gz VIMQXKVPOVVLBM-LJQANCHMSA-N 0 3 351.454 3.089 20 30 FGEDHN N#CCC1(CNC(=O)NCC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000375644536 499540711 /nfs/dbraw/zinc/54/07/11/499540711.db2.gz NHSRRZWEGSEEGV-UHFFFAOYSA-N 0 3 358.461 3.031 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000378651549 499540954 /nfs/dbraw/zinc/54/09/54/499540954.db2.gz YSQXXRZMMKXZMG-UAOJZALGSA-N 0 3 373.522 3.424 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000398051741 499566491 /nfs/dbraw/zinc/56/64/91/499566491.db2.gz XXPWGHMHXNRWJP-RHSMWYFYSA-N 0 3 351.410 3.184 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000409450722 499597878 /nfs/dbraw/zinc/59/78/78/499597878.db2.gz ZUHHRHUHHXRJTN-INIZCTEOSA-N 0 3 353.388 3.322 20 30 FGEDHN Cc1nc2c(s1)CCC[C@H]2CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000376730023 499632553 /nfs/dbraw/zinc/63/25/53/499632553.db2.gz VJMHDZFSCIMQAD-IRXDYDNUSA-N 0 3 364.474 3.242 20 30 FGEDHN CC(C)[C@@H](CNC(=O)Nc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000582180142 506153065 /nfs/dbraw/zinc/15/30/65/506153065.db2.gz XVJXOORKTNVGTH-LJQANCHMSA-N 0 3 363.465 3.158 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000377035391 499655756 /nfs/dbraw/zinc/65/57/56/499655756.db2.gz YSKMDXOFQGXGFT-RTBURBONSA-N 0 3 354.498 3.232 20 30 FGEDHN CC[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC)cc1 ZINC000411435320 499740107 /nfs/dbraw/zinc/74/01/07/499740107.db2.gz CGTSLVFDNJFUNZ-IAGOWNOFSA-N 0 3 355.463 3.475 20 30 FGEDHN CC[C@H](NCC(C)(C)CC#N)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414168065 499765411 /nfs/dbraw/zinc/76/54/11/499765411.db2.gz QDZFQCJDIYLZNO-AWEZNQCLSA-N 0 3 357.907 3.229 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2C[C@H](O)C[C@H]2c2ccccc2)cc1Cl ZINC000411948960 499805612 /nfs/dbraw/zinc/80/56/12/499805612.db2.gz QCPKMEIHNLNHDD-MJGOQNOKSA-N 0 3 369.852 3.348 20 30 FGEDHN N#Cc1ccc(OCCN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000412008927 499812655 /nfs/dbraw/zinc/81/26/55/499812655.db2.gz MYYOGHDMMZYUEX-OAQYLSRUSA-N 0 3 366.461 3.057 20 30 FGEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412015454 499813146 /nfs/dbraw/zinc/81/31/46/499813146.db2.gz SOADYDFLOFNZLW-WOJBJXKFSA-N 0 3 352.482 3.301 20 30 FGEDHN COC1([C@@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCC1 ZINC000412021411 499813524 /nfs/dbraw/zinc/81/35/24/499813524.db2.gz MNTOIIUWHMOKLU-LSDHHAIUSA-N 0 3 361.511 3.424 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000412044362 499816575 /nfs/dbraw/zinc/81/65/75/499816575.db2.gz QVPITTPGBLBRHT-UHFFFAOYSA-N 0 3 356.445 3.090 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412177983 499831132 /nfs/dbraw/zinc/83/11/32/499831132.db2.gz SFASOPPHAADIAP-RBUKOAKNSA-N 0 3 353.491 3.314 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(C#N)cc1C ZINC000412561193 499863591 /nfs/dbraw/zinc/86/35/91/499863591.db2.gz DAMCGIQOGSFULO-UHFFFAOYSA-N 0 3 353.422 3.068 20 30 FGEDHN N#CCc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c(Cl)c1 ZINC000415789015 499918886 /nfs/dbraw/zinc/91/88/86/499918886.db2.gz SBHQFHJLJCUAPH-DOTOQJQBSA-N 0 3 354.841 3.365 20 30 FGEDHN N#CC1(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCC1 ZINC000416353139 500023974 /nfs/dbraw/zinc/02/39/74/500023974.db2.gz HZZZYVXDWNDVEO-GOSISDBHSA-N 0 3 365.399 3.251 20 30 FGEDHN CSC[C@@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000429277687 500040657 /nfs/dbraw/zinc/04/06/57/500040657.db2.gz VXPOJVMODIQUGT-VZDIDWBNSA-N 0 3 351.560 3.381 20 30 FGEDHN C=CCN1CC[C@H](N[C@@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000429365344 500061641 /nfs/dbraw/zinc/06/16/41/500061641.db2.gz INXGOAHKPZFPGR-JKSUJKDBSA-N 0 3 363.299 3.449 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCc4c3cccc4C#N)cc2)CC1 ZINC000421650726 500106435 /nfs/dbraw/zinc/10/64/35/500106435.db2.gz ICRIFXRHTYMXEW-UHFFFAOYSA-N 0 3 374.488 3.292 20 30 FGEDHN COc1ccc([C@H](CCn2cncn2)NCc2ccc(C#N)s2)cc1 ZINC000421870544 500166662 /nfs/dbraw/zinc/16/66/62/500166662.db2.gz FNQBBUSQKWPVSB-SFHVURJKSA-N 0 3 353.451 3.141 20 30 FGEDHN N#CCC1(CNCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000430037368 500184310 /nfs/dbraw/zinc/18/43/10/500184310.db2.gz SQXIHAWWMBUDAH-UHFFFAOYSA-N 0 3 364.287 3.069 20 30 FGEDHN COc1cc(CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1C#N ZINC000418193224 500246682 /nfs/dbraw/zinc/24/66/82/500246682.db2.gz BMLZXIMSLFSRML-LJQANCHMSA-N 0 3 366.465 3.189 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418430885 500276098 /nfs/dbraw/zinc/27/60/98/500276098.db2.gz PMTITTAKXRFQKX-LJQANCHMSA-N 0 3 355.486 3.252 20 30 FGEDHN C=CCCCCCN(C)C(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420054634 500417157 /nfs/dbraw/zinc/41/71/57/500417157.db2.gz LHSCIYSXWFOSSC-HXUWFJFHSA-N 0 3 367.493 3.161 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000424058797 500444641 /nfs/dbraw/zinc/44/46/41/500444641.db2.gz ANIIOCOJCDPALB-XKORHXENSA-N 0 3 359.473 3.421 20 30 FGEDHN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424089911 500450922 /nfs/dbraw/zinc/45/09/22/500450922.db2.gz IPSGKEAMLSQUCJ-RKVPGOIHSA-N 0 3 370.497 3.073 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427961499 500451421 /nfs/dbraw/zinc/45/14/21/500451421.db2.gz CRIRJSOHDIAQLU-INIZCTEOSA-N 0 3 365.389 3.088 20 30 FGEDHN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](N)CCCC#N)c1 ZINC000424094245 500451816 /nfs/dbraw/zinc/45/18/16/500451816.db2.gz LHCYIVFUFWWJEK-MRXNPFEDSA-N 0 3 353.470 3.438 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000424190400 500465274 /nfs/dbraw/zinc/46/52/74/500465274.db2.gz OIFGHMRVZPWADK-JQWIXIFHSA-N 0 3 365.302 3.029 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C#N)s1 ZINC000420893885 500524113 /nfs/dbraw/zinc/52/41/13/500524113.db2.gz WODNDSBFBKHUMV-MRXNPFEDSA-N 0 3 368.506 3.426 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](CCO)CC1 ZINC000421025500 500558418 /nfs/dbraw/zinc/55/84/18/500558418.db2.gz YVLFNLKYKFAQFI-SJORKVTESA-N 0 3 350.528 3.136 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)c3cscc3C#N)CC2)cc1 ZINC000433115819 500629305 /nfs/dbraw/zinc/62/93/05/500629305.db2.gz PRMDPGZRCWXQSA-UHFFFAOYSA-N 0 3 369.490 3.270 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCOC[C@@H]2C)c1C#N ZINC000433166853 500638378 /nfs/dbraw/zinc/63/83/78/500638378.db2.gz HDFPRRVPUBZOOS-UGSOOPFHSA-N 0 3 358.486 3.045 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000437493925 500650716 /nfs/dbraw/zinc/65/07/16/500650716.db2.gz LISQEHHXTKMJPU-NYVOZVTQSA-N 0 3 370.537 3.427 20 30 FGEDHN Cc1cc(C)c(NC(=O)CNC(=O)C(C#N)CCc2ccccc2)c(C)c1 ZINC000433235080 500652093 /nfs/dbraw/zinc/65/20/93/500652093.db2.gz UFPUDXYXAQJABV-LJQANCHMSA-N 0 3 363.461 3.439 20 30 FGEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433299792 500665561 /nfs/dbraw/zinc/66/55/61/500665561.db2.gz RMHQYLIAILYRPH-DZGCQCFKSA-N 0 3 351.288 3.004 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000437614561 500669486 /nfs/dbraw/zinc/66/94/86/500669486.db2.gz FMWDSUOKMBAYSI-CTNGQTDRSA-N 0 3 371.525 3.453 20 30 FGEDHN CN(CCNc1ccc(C(F)(F)F)c(C#N)n1)Cc1ccc(F)cc1 ZINC000443524152 500733859 /nfs/dbraw/zinc/73/38/59/500733859.db2.gz SKEVVESMWRYQLN-UHFFFAOYSA-N 0 3 352.335 3.077 20 30 FGEDHN CC1CCN([C@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CC1 ZINC000448581763 500776755 /nfs/dbraw/zinc/77/67/55/500776755.db2.gz LIJRJSUNRAUIPR-QGZVFWFLSA-N 0 3 356.495 3.161 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000434198783 500810398 /nfs/dbraw/zinc/81/03/98/500810398.db2.gz XXLDWGONUPMFDB-UHFFFAOYSA-N 0 3 357.832 3.458 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000448724993 500815362 /nfs/dbraw/zinc/81/53/62/500815362.db2.gz JGCBVMBNVRZIME-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN O=C(CN1CCC[C@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444190191 500815767 /nfs/dbraw/zinc/81/57/67/500815767.db2.gz XZPNMVSFOAEAJT-SJLPKXTDSA-N 0 3 364.411 3.438 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000440144850 500980237 /nfs/dbraw/zinc/98/02/37/500980237.db2.gz SYEAGUWEFABAIX-IBGZPJMESA-N 0 3 357.523 3.315 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000435464333 500982316 /nfs/dbraw/zinc/98/23/16/500982316.db2.gz QPKAOEJFJWWXAT-HNNXBMFYSA-N 0 3 367.449 3.090 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(-c2ccccc2)n1 ZINC000449550358 501030753 /nfs/dbraw/zinc/03/07/53/501030753.db2.gz CTGAQZIWIMSFIT-SVFBPWRDSA-N 0 3 364.493 3.447 20 30 FGEDHN COc1cc(CNCc2ccc(Cn3ccccc3=O)cc2)ccc1C#N ZINC000440807570 501051018 /nfs/dbraw/zinc/05/10/18/501051018.db2.gz OKTPQISTRGRJCJ-UHFFFAOYSA-N 0 3 359.429 3.067 20 30 FGEDHN COc1cccc(N2CCC[C@@H](NCc3ccc(C#N)c(OC)c3)C2)c1 ZINC000440821908 501053097 /nfs/dbraw/zinc/05/30/97/501053097.db2.gz OEQFAZIQGNRQFB-GOSISDBHSA-N 0 3 351.450 3.334 20 30 FGEDHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000441277655 501113308 /nfs/dbraw/zinc/11/33/08/501113308.db2.gz NJCGKDKCZRSYLJ-IHPCNDPISA-N 0 3 357.498 3.486 20 30 FGEDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000450052463 501165373 /nfs/dbraw/zinc/16/53/73/501165373.db2.gz LNEISICSVFIFOI-ZIAGYGMSSA-N 0 3 362.271 3.020 20 30 FGEDHN CC(C)OC(=O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000451217848 501252963 /nfs/dbraw/zinc/25/29/63/501252963.db2.gz QRFFGJLVRYZDPN-FQEVSTJZSA-N 0 3 357.498 3.088 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC2(C)C)cc1 ZINC000455264532 501258546 /nfs/dbraw/zinc/25/85/46/501258546.db2.gz ZUUYNDCXNCYKMX-KBPBESRZSA-N 0 3 363.483 3.320 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000455418447 501297233 /nfs/dbraw/zinc/29/72/33/501297233.db2.gz FZTBCHSZTBDCCO-NJYVYQBISA-N 0 3 371.525 3.274 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000451485134 501304123 /nfs/dbraw/zinc/30/41/23/501304123.db2.gz AQGWXTWYPQXDLO-GVDBMIGSSA-N 0 3 351.368 3.484 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000451504660 501308204 /nfs/dbraw/zinc/30/82/04/501308204.db2.gz SCERGWBXMHJYPD-CEWLAPEOSA-N 0 3 367.493 3.097 20 30 FGEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453426960 501329825 /nfs/dbraw/zinc/32/98/25/501329825.db2.gz VBRVSBDRIARKFV-LZLYRXPVSA-N 0 3 371.554 3.283 20 30 FGEDHN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCCN(C(C)C)CC1 ZINC000453428164 501329934 /nfs/dbraw/zinc/32/99/34/501329934.db2.gz ZPEWIYJQVKNZFP-LJQANCHMSA-N 0 3 367.497 3.061 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C(C)C)[C@H](CO)C(C)C)c1C ZINC000451594756 501332930 /nfs/dbraw/zinc/33/29/30/501332930.db2.gz DSDVARCZBDSCMP-KNQAVFIVSA-N 0 3 373.541 3.429 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000451609909 501335986 /nfs/dbraw/zinc/33/59/86/501335986.db2.gz WVQCYTHQDJLFNY-SJORKVTESA-N 0 3 368.399 3.130 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000451607359 501336031 /nfs/dbraw/zinc/33/60/31/501336031.db2.gz KOMYLZBZFLVCGB-LQWHRVPQSA-N 0 3 368.502 3.155 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000453458746 501337687 /nfs/dbraw/zinc/33/76/87/501337687.db2.gz AQGANJQVTSRSJX-QGZVFWFLSA-N 0 3 361.534 3.264 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000453458908 501337882 /nfs/dbraw/zinc/33/78/82/501337882.db2.gz AYYYFWNHHAKCRB-BZSNNMDCSA-N 0 3 359.518 3.159 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453459557 501338145 /nfs/dbraw/zinc/33/81/45/501338145.db2.gz CYCMSTJZFXTBOP-KRWDZBQOSA-N 0 3 364.497 3.313 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1CCN(C)C ZINC000455670657 501361219 /nfs/dbraw/zinc/36/12/19/501361219.db2.gz RQQSJSBRONJMHZ-UHFFFAOYSA-N 0 3 368.485 3.006 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000598962189 506248594 /nfs/dbraw/zinc/24/85/94/506248594.db2.gz DVWGOIYVUJYZSL-IBGZPJMESA-N 0 3 372.538 3.108 20 30 FGEDHN C[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)N1CCCC[C@H]1C ZINC000598964921 506250438 /nfs/dbraw/zinc/25/04/38/506250438.db2.gz SNUXIMMBGIMDIN-SJORKVTESA-N 0 3 354.498 3.083 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000454345980 501519720 /nfs/dbraw/zinc/51/97/20/501519720.db2.gz XHFYLUQVALSPDX-LJQANCHMSA-N 0 3 366.440 3.161 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454358097 501522034 /nfs/dbraw/zinc/52/20/34/501522034.db2.gz FXKGAXDIRWVWEM-DNVCBOLYSA-N 0 3 366.440 3.332 20 30 FGEDHN N#Cc1cccc(CN[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)n1 ZINC000602683710 506260451 /nfs/dbraw/zinc/26/04/51/506260451.db2.gz RQWPJQSUKDJQMQ-INIZCTEOSA-N 0 3 365.387 3.200 20 30 FGEDHN C=CC(C)(C)CNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000458986420 501572021 /nfs/dbraw/zinc/57/20/21/501572021.db2.gz KDLSGXHWWQLMAA-OAHLLOKOSA-N 0 3 350.532 3.127 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000459028070 501578817 /nfs/dbraw/zinc/57/88/17/501578817.db2.gz NOIFSJUIOKIIQY-FFGOWVMKSA-N 0 3 357.498 3.197 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1C#N ZINC000459572283 501679108 /nfs/dbraw/zinc/67/91/08/501679108.db2.gz UCHAKUQKIOHIJF-BBRMVZONSA-N 0 3 357.483 3.445 20 30 FGEDHN Cc1ccc(C[C@@H](CO)NC(=O)C(C#N)CCc2ccccc2)cc1C ZINC000457306154 501679237 /nfs/dbraw/zinc/67/92/37/501679237.db2.gz VZIQFIIWSMLFAT-RTWAWAEBSA-N 0 3 350.462 3.096 20 30 FGEDHN Cn1cc(CNCC(C)(C)CC#N)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000459690043 501699627 /nfs/dbraw/zinc/69/96/27/501699627.db2.gz JCJRZINTAVARRP-UHFFFAOYSA-N 0 3 354.454 3.278 20 30 FGEDHN COCC[C@@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000467271435 501754401 /nfs/dbraw/zinc/75/44/01/501754401.db2.gz NVTNRRJUMHYHLA-MOPGFXCFSA-N 0 3 357.498 3.460 20 30 FGEDHN COCC[C@@H]1CCCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000467281640 501757908 /nfs/dbraw/zinc/75/79/08/501757908.db2.gz WTPIBXZSAJXNFO-LSNYBQGISA-N 0 3 363.546 3.444 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C12CCCC2 ZINC000485314130 501786034 /nfs/dbraw/zinc/78/60/34/501786034.db2.gz FDNFSXCWHXUTID-SLFFLAALSA-N 0 3 367.493 3.381 20 30 FGEDHN CN(CCN(Cc1ccccc1)c1cc(C#N)ncn1)Cc1ccccc1 ZINC000582524323 506273737 /nfs/dbraw/zinc/27/37/37/506273737.db2.gz NGYJDPGFCXHWCD-UHFFFAOYSA-N 0 3 357.461 3.487 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CN1Cc1ccccc1 ZINC000467475635 501804235 /nfs/dbraw/zinc/80/42/35/501804235.db2.gz YGFACQKUUCCJEE-KSSFIOAISA-N 0 3 352.413 3.482 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460373948 501808093 /nfs/dbraw/zinc/80/80/93/501808093.db2.gz GLNOXQGRZRZVKB-IAGOWNOFSA-N 0 3 369.513 3.449 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000470905449 501848187 /nfs/dbraw/zinc/84/81/87/501848187.db2.gz GALDTTRQJWQGTA-LJQANCHMSA-N 0 3 356.422 3.413 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(F)cc2Cl)cc1 ZINC000470927619 501858651 /nfs/dbraw/zinc/85/86/51/501858651.db2.gz AABYZNWMCDYNED-MRXNPFEDSA-N 0 3 355.800 3.392 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCC)CCN1CCCCCC1 ZINC000460761506 501914551 /nfs/dbraw/zinc/91/45/51/501914551.db2.gz ZKOLGZSRBXUWMX-MOPGFXCFSA-N 0 3 351.535 3.265 20 30 FGEDHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000588374308 506281929 /nfs/dbraw/zinc/28/19/29/506281929.db2.gz GOTNVQMTQXNEPY-LIRRHRJNSA-N 0 3 354.429 3.360 20 30 FGEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000471156569 501937693 /nfs/dbraw/zinc/93/76/93/501937693.db2.gz LCIWBGKKJIUOJY-ORAYPTAESA-N 0 3 363.889 3.317 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485877152 501971807 /nfs/dbraw/zinc/97/18/07/501971807.db2.gz UQFVJYPLIKYTFN-NJDAHSKKSA-N 0 3 364.493 3.301 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2cncn2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464463380 501997085 /nfs/dbraw/zinc/99/70/85/501997085.db2.gz FQNGWNWVNRWRBN-AWEZNQCLSA-N 0 3 357.295 3.171 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(C#N)cc1)N(C)C ZINC000478490063 501998539 /nfs/dbraw/zinc/99/85/39/501998539.db2.gz UEUSYHZIGKGXJO-OXQOHEQNSA-N 0 3 350.466 3.357 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000471632410 502094500 /nfs/dbraw/zinc/09/45/00/502094500.db2.gz BSBBNZSBCKQJEJ-FCHUYYIVSA-N 0 3 374.488 3.222 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN(CCc1cccc(F)c1)C1CCCC1 ZINC000464883514 502136347 /nfs/dbraw/zinc/13/63/47/502136347.db2.gz DAAIHNZIWXJJPW-UHFFFAOYSA-N 0 3 370.472 3.269 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)cc1Cl ZINC000599054261 506297036 /nfs/dbraw/zinc/29/70/36/506297036.db2.gz MACRTGMCMUCYQX-KRWDZBQOSA-N 0 3 360.889 3.418 20 30 FGEDHN CN(C)C[C@@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588665905 506297522 /nfs/dbraw/zinc/29/75/22/506297522.db2.gz OTODRVHHAXJSGT-WOJBJXKFSA-N 0 3 366.440 3.287 20 30 FGEDHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479317695 502223089 /nfs/dbraw/zinc/22/30/89/502223089.db2.gz RZIOHKYHZZRETF-UYAOXDASSA-N 0 3 351.425 3.419 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592898882 506300906 /nfs/dbraw/zinc/30/09/06/506300906.db2.gz MRJWIGMQWNTIRB-UHFFFAOYSA-N 0 3 369.490 3.018 20 30 FGEDHN CC(C)(C)C1CCC(O)(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472155249 502250470 /nfs/dbraw/zinc/25/04/70/502250470.db2.gz MBRALXMBBBWMJC-PGFLUOATSA-N 0 3 367.493 3.324 20 30 FGEDHN CO[C@]1(C)C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000465411192 502253935 /nfs/dbraw/zinc/25/39/35/502253935.db2.gz VSLIUEUTHWABLT-JNAXZKDPSA-N 0 3 361.461 3.254 20 30 FGEDHN N#C[C@H]1CCC[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000461966696 502256438 /nfs/dbraw/zinc/25/64/38/502256438.db2.gz QINWLKTWYKPAJL-WOJBJXKFSA-N 0 3 354.498 3.029 20 30 FGEDHN CCc1nc(C#N)cc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000596193513 506304010 /nfs/dbraw/zinc/30/40/10/506304010.db2.gz FDMRFHSZHQFFQR-HNNXBMFYSA-N 0 3 363.387 3.066 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(CC2CCC2)[C@@H](C)CO)c1C ZINC000483138066 502287886 /nfs/dbraw/zinc/28/78/86/502287886.db2.gz CADQJQCDDSCSJG-KRWDZBQOSA-N 0 3 357.498 3.033 20 30 FGEDHN C[C@@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000462252874 502368316 /nfs/dbraw/zinc/36/83/16/502368316.db2.gz LOCATPMAZMKBRB-IAGOWNOFSA-N 0 3 362.477 3.399 20 30 FGEDHN C[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)N1CCCCCC1 ZINC000469316928 502373117 /nfs/dbraw/zinc/37/31/17/502373117.db2.gz VLISZSSLFOEDNG-AEFFLSMTSA-N 0 3 372.488 3.047 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000462269936 502374795 /nfs/dbraw/zinc/37/47/95/502374795.db2.gz MYCGSEAMFADVTC-LIRRHRJNSA-N 0 3 352.413 3.339 20 30 FGEDHN CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602814761 506311356 /nfs/dbraw/zinc/31/13/56/506311356.db2.gz HLKOYTABVAKLEK-MJGOQNOKSA-N 0 3 372.538 3.434 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)nc(C)n1 ZINC000473489654 502608586 /nfs/dbraw/zinc/60/85/86/502608586.db2.gz LJWDJLUWBUWCRM-MRXNPFEDSA-N 0 3 358.405 3.246 20 30 FGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000466596063 502619070 /nfs/dbraw/zinc/61/90/70/502619070.db2.gz IRADQRJVIHSQRF-HOTGVXAUSA-N 0 3 359.474 3.149 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000470033808 502635813 /nfs/dbraw/zinc/63/58/13/502635813.db2.gz ANJAGNIVXKWJGB-UHFFFAOYSA-N 0 3 360.364 3.313 20 30 FGEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000477070271 502668842 /nfs/dbraw/zinc/66/88/42/502668842.db2.gz DSQOBIIXYPTGCA-WZQKQDCOSA-N 0 3 369.490 3.317 20 30 FGEDHN C[C@H](CCc1ccsc1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488455210 502718707 /nfs/dbraw/zinc/71/87/07/502718707.db2.gz DUTGJSKUVSYRMI-BEFAXECRSA-N 0 3 353.491 3.332 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000481020978 502730914 /nfs/dbraw/zinc/73/09/14/502730914.db2.gz VKPGSXQMAZAWKD-WVZRYYJFSA-N 0 3 363.483 3.319 20 30 FGEDHN CC(=O)Nc1ccc(CN2CCC(Nc3nc(C#N)ccc3C)CC2)cc1 ZINC000596262201 506331702 /nfs/dbraw/zinc/33/17/02/506331702.db2.gz BILVRVXAJNIJDL-UHFFFAOYSA-N 0 3 363.465 3.297 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000481226346 502789813 /nfs/dbraw/zinc/78/98/13/502789813.db2.gz HSDZHKFLJBFTQH-UHFFFAOYSA-N 0 3 367.449 3.295 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444130 502808018 /nfs/dbraw/zinc/80/80/18/502808018.db2.gz QJHNODPQWBONAC-JOCHJYFZSA-N 0 3 350.462 3.384 20 30 FGEDHN C=CCn1cccc1C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000488802407 502811957 /nfs/dbraw/zinc/81/19/57/502811957.db2.gz QYGBBGABDLSPAK-UHFFFAOYSA-N 0 3 367.493 3.121 20 30 FGEDHN Cn1cc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1C#N ZINC000513016544 502831473 /nfs/dbraw/zinc/83/14/73/502831473.db2.gz KBQDZYJLSCCWPL-GOSISDBHSA-N 0 3 363.383 3.407 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)NCCc2cccc(C#N)c2)N(C)C)cc1 ZINC000495396934 502833916 /nfs/dbraw/zinc/83/39/16/502833916.db2.gz SGMUYXIYAOMRLB-HXUWFJFHSA-N 0 3 350.466 3.011 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NCCc2cccc(C#N)c2)N(C)C)cc1 ZINC000495396933 502834092 /nfs/dbraw/zinc/83/40/92/502834092.db2.gz SGMUYXIYAOMRLB-FQEVSTJZSA-N 0 3 350.466 3.011 20 30 FGEDHN C=CCOc1ccccc1CN[C@@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 ZINC000513059689 502842491 /nfs/dbraw/zinc/84/24/91/502842491.db2.gz XCYJHHRGVZLAEG-KBPBESRZSA-N 0 3 374.510 3.418 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(C)C ZINC000495999039 502869170 /nfs/dbraw/zinc/86/91/70/502869170.db2.gz GUXLDSVCEIATOY-HKUYNNGSSA-N 0 3 362.901 3.458 20 30 FGEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCC(C)CC1 ZINC000489097428 502878969 /nfs/dbraw/zinc/87/89/69/502878969.db2.gz FXSKSFFQLSMAIR-UHFFFAOYSA-N 0 3 350.528 3.304 20 30 FGEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cn1C ZINC000496357563 502886331 /nfs/dbraw/zinc/88/63/31/502886331.db2.gz NRDOLPHBEVIGRU-LLVKDONJSA-N 0 3 372.331 3.047 20 30 FGEDHN N#CC(C(=O)c1ccc(OC(F)F)c(F)c1)c1nnc2n1CCCCC2 ZINC000496723979 502901874 /nfs/dbraw/zinc/90/18/74/502901874.db2.gz SKQFXRQPJRBQDD-NSHDSACASA-N 0 3 364.327 3.235 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000497175578 502925402 /nfs/dbraw/zinc/92/54/02/502925402.db2.gz RIKJWZIKUCGICM-GOSISDBHSA-N 0 3 356.401 3.130 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N(CCN(C)C)C1CCCC1 ZINC000505676956 502964793 /nfs/dbraw/zinc/96/47/93/502964793.db2.gz ZZQHXJITZBUGGD-UHFFFAOYSA-N 0 3 357.498 3.077 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509715803 502974211 /nfs/dbraw/zinc/97/42/11/502974211.db2.gz PEJDKHXNMXODBS-CRAIPNDOSA-N 0 3 367.415 3.449 20 30 FGEDHN CC(C)n1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C)cnc21 ZINC000513671265 502996345 /nfs/dbraw/zinc/99/63/45/502996345.db2.gz HMGJDVWLTTWROW-OAHLLOKOSA-N 0 3 358.405 3.389 20 30 FGEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000489758558 503027172 /nfs/dbraw/zinc/02/71/72/503027172.db2.gz NTDCHVLIXDZQFJ-XEYPJELSSA-N 0 3 354.498 3.403 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000506029267 503031796 /nfs/dbraw/zinc/03/17/96/503031796.db2.gz BJFLBJWBWNJSEO-QGZVFWFLSA-N 0 3 357.454 3.255 20 30 FGEDHN C[C@@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497902023 503063372 /nfs/dbraw/zinc/06/33/72/503063372.db2.gz XMHDMGSGMMWHOH-YLJYHZDGSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510544804 503140090 /nfs/dbraw/zinc/14/00/90/503140090.db2.gz JJNCKUIQKXABIJ-OXQOHEQNSA-N 0 3 353.466 3.376 20 30 FGEDHN C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)[C@H](c1ccccc1)N(C)C ZINC000498410109 503181101 /nfs/dbraw/zinc/18/11/01/503181101.db2.gz QBHLBDMWQQJDSM-AUUYWEPGSA-N 0 3 354.429 3.188 20 30 FGEDHN C[C@H]1CCN(C)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000498707980 503243771 /nfs/dbraw/zinc/24/37/71/503243771.db2.gz RRGDRXFBYTUFTB-KRWDZBQOSA-N 0 3 363.461 3.303 20 30 FGEDHN N#Cc1ccc(OCCN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000515461030 503342856 /nfs/dbraw/zinc/34/28/56/503342856.db2.gz BOHWKJPTVQEVNN-OAQYLSRUSA-N 0 3 354.425 3.003 20 30 FGEDHN CCN(CCC#N)C(=O)CN[C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000515560147 503366025 /nfs/dbraw/zinc/36/60/25/503366025.db2.gz ZTYSEOODWMBJJP-OAQYLSRUSA-N 0 3 365.477 3.331 20 30 FGEDHN COCCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000593071524 506374212 /nfs/dbraw/zinc/37/42/12/506374212.db2.gz ZGWIBGFKLZCUNI-HOTGVXAUSA-N 0 3 370.371 3.285 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc2c1OCCCO2 ZINC000516348199 503498280 /nfs/dbraw/zinc/49/82/80/503498280.db2.gz QZIFGPYVWWFFOO-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(C#N)cc1F ZINC000512654853 503604501 /nfs/dbraw/zinc/60/45/01/503604501.db2.gz PGEBSAFTVPMKEG-XWFZLUIHSA-N 0 3 367.468 3.231 20 30 FGEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529724048 503682579 /nfs/dbraw/zinc/68/25/79/503682579.db2.gz VVJJGXGVONNZEV-SFHVURJKSA-N 0 3 355.482 3.239 20 30 FGEDHN Cc1cc(C)c(C(=O)NC2CCN(Cc3ccc(C#N)cc3C)CC2)o1 ZINC000527577696 503840390 /nfs/dbraw/zinc/84/03/90/503840390.db2.gz MFPNZIJLDIYBPZ-UHFFFAOYSA-N 0 3 351.450 3.471 20 30 FGEDHN COc1cc(CN2CC[C@H](NCc3ccc(C#N)cc3F)C2)cc(OC)c1 ZINC000533446952 503850729 /nfs/dbraw/zinc/85/07/29/503850729.db2.gz QPKFRLVHEDJLPY-SFHVURJKSA-N 0 3 369.440 3.079 20 30 FGEDHN C=CCOc1ccccc1CNC[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000540734146 503874799 /nfs/dbraw/zinc/87/47/99/503874799.db2.gz FKNNPDVGAOLVBF-QGZVFWFLSA-N 0 3 358.869 3.339 20 30 FGEDHN CN1CC=C(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000537363185 503890030 /nfs/dbraw/zinc/89/00/30/503890030.db2.gz QHBKFPPZCXKTRO-UHFFFAOYSA-N 0 3 365.408 3.481 20 30 FGEDHN CC1CCN([C@H](CNC(=O)Cc2ccc(C#N)nc2)c2cccs2)CC1 ZINC000527683030 503894211 /nfs/dbraw/zinc/89/42/11/503894211.db2.gz NGADBTAKVSOOBZ-GOSISDBHSA-N 0 3 368.506 3.147 20 30 FGEDHN N#CC(C(=O)c1ccc(OC2CCCC2)nc1)c1nnc2n1CCCCC2 ZINC000543806505 503900051 /nfs/dbraw/zinc/90/00/51/503900051.db2.gz DIIMYHFPGXRLAY-MRXNPFEDSA-N 0 3 365.437 3.211 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000533762038 503944721 /nfs/dbraw/zinc/94/47/21/503944721.db2.gz SJJUUZJLTIDZLN-SFHVURJKSA-N 0 3 352.482 3.010 20 30 FGEDHN C=CCc1cc(CNC[C@@H]2c3ccccc3C(=O)N2C)cc(OC)c1O ZINC000527805579 503951971 /nfs/dbraw/zinc/95/19/71/503951971.db2.gz JTOGVCCTBRZPFN-GOSISDBHSA-N 0 3 352.434 3.046 20 30 FGEDHN COc1cccc2c1CC[C@@H]2N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000540953349 503952907 /nfs/dbraw/zinc/95/29/07/503952907.db2.gz FLNXAJRHWMVSHO-PMACEKPBSA-N 0 3 361.445 3.339 20 30 FGEDHN C=CCN1CCC(NC(=O)CCn2c(CCC)nc3ccccc32)CC1 ZINC000537642920 503989231 /nfs/dbraw/zinc/98/92/31/503989231.db2.gz GYDNUFXKZXRFTN-UHFFFAOYSA-N 0 3 354.498 3.146 20 30 FGEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000527932006 504002686 /nfs/dbraw/zinc/00/26/86/504002686.db2.gz KDLUEZUINSYIEG-QGZVFWFLSA-N 0 3 355.482 3.421 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000541112407 504011492 /nfs/dbraw/zinc/01/14/92/504011492.db2.gz QXXOBMUEXUYYRB-SFHVURJKSA-N 0 3 365.562 3.160 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cnc(OCC3CC3)c(Cl)c2)nc(C)n1 ZINC000544150295 504028956 /nfs/dbraw/zinc/02/89/56/504028956.db2.gz YFYNNTIEIMEQGG-AWEZNQCLSA-N 0 3 356.813 3.421 20 30 FGEDHN CS[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1N(C)C ZINC000534092274 504037808 /nfs/dbraw/zinc/03/78/08/504037808.db2.gz ZIHFEXRMMMCETH-PMACEKPBSA-N 0 3 365.502 3.343 20 30 FGEDHN Cc1ccnc(NC2CCN(CCOc3ccc(F)cc3)CC2)c1C#N ZINC000541278463 504070935 /nfs/dbraw/zinc/07/09/35/504070935.db2.gz PYCSKMUWPQNRCY-UHFFFAOYSA-N 0 3 354.429 3.356 20 30 FGEDHN COc1cccc(C[C@@H]2CCCN2C[C@H](O)COc2ccccc2C#N)c1 ZINC000528351015 504181785 /nfs/dbraw/zinc/18/17/85/504181785.db2.gz GOJMMQSXUDPSJW-PMACEKPBSA-N 0 3 366.461 3.014 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000534709501 504221097 /nfs/dbraw/zinc/22/10/97/504221097.db2.gz SSKKMSAOGGROHU-UHFFFAOYSA-N 0 3 367.497 3.355 20 30 FGEDHN CN(CCC(=O)N[C@H](C#N)c1cccc(Br)c1)c1ccncc1 ZINC000519449297 504222374 /nfs/dbraw/zinc/22/23/74/504222374.db2.gz QIMJJIWATPICOR-MRXNPFEDSA-N 0 3 373.254 3.051 20 30 FGEDHN COc1cccc([C@@H]2C[C@H](C)CN2C[C@@H](O)COc2ccccc2C#N)c1 ZINC000528444958 504227718 /nfs/dbraw/zinc/22/77/18/504227718.db2.gz ZEFCPFUFUNFSDB-SCWSEQNSSA-N 0 3 366.461 3.390 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000538390017 504230294 /nfs/dbraw/zinc/23/02/94/504230294.db2.gz MXSHSLMJSIPHDI-FXAWDEMLSA-N 0 3 363.477 3.263 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000538489470 504260998 /nfs/dbraw/zinc/26/09/98/504260998.db2.gz CJZVXXRZJDYVAZ-UHFFFAOYSA-N 0 3 372.391 3.185 20 30 FGEDHN N#Cc1csc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000541885054 504289698 /nfs/dbraw/zinc/28/96/98/504289698.db2.gz RQJLAKRZLRANRP-HNNXBMFYSA-N 0 3 353.426 3.122 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000538729224 504346342 /nfs/dbraw/zinc/34/63/42/504346342.db2.gz ZCDSFIYCWZHRSS-LJQANCHMSA-N 0 3 372.509 3.485 20 30 FGEDHN C=CCN(Cc1ccc2c[nH]nc2c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732434 504349540 /nfs/dbraw/zinc/34/95/40/504349540.db2.gz MIYZUNDIQVVJNX-OAHLLOKOSA-N 0 3 359.437 3.288 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CC)CCCO)cc1OC ZINC000538737242 504352093 /nfs/dbraw/zinc/35/20/93/504352093.db2.gz PCLUIGOCMLMGLY-UHFFFAOYSA-N 0 3 358.276 3.227 20 30 FGEDHN CCC[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000542628564 504558501 /nfs/dbraw/zinc/55/85/01/504558501.db2.gz USRRQSREDUVPKJ-ZWKOTPCHSA-N 0 3 374.554 3.112 20 30 FGEDHN C=CCc1ccc(OCC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000520760046 504576272 /nfs/dbraw/zinc/57/62/72/504576272.db2.gz JTTAMYCXOYTKFZ-IRXDYDNUSA-N 0 3 360.498 3.182 20 30 FGEDHN COCc1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)cc1C#N ZINC000529218640 504589898 /nfs/dbraw/zinc/58/98/98/504589898.db2.gz WXJPDKLWUMUQSX-UHFFFAOYSA-N 0 3 356.470 3.187 20 30 FGEDHN C=CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CC2CC2)CC1 ZINC000548851347 504591137 /nfs/dbraw/zinc/59/11/37/504591137.db2.gz LKTVAKAZMBDOJL-UHFFFAOYSA-N 0 3 374.492 3.211 20 30 FGEDHN C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)c(F)c1 ZINC000539603067 504623016 /nfs/dbraw/zinc/62/30/16/504623016.db2.gz YDEBDNGKORLLNQ-OXQOHEQNSA-N 0 3 353.441 3.249 20 30 FGEDHN N#Cc1cccc(OC2CCN(C(=O)Nc3ccc4c(c3)CNC4)CC2)c1 ZINC000521235096 504689478 /nfs/dbraw/zinc/68/94/78/504689478.db2.gz LJEOPXWRYGRMAO-UHFFFAOYSA-N 0 3 362.433 3.237 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000521435142 504736889 /nfs/dbraw/zinc/73/68/89/504736889.db2.gz PVFIMBZPTPIMGP-QGZVFWFLSA-N 0 3 351.454 3.205 20 30 FGEDHN C=CCOc1cccc(CN2CCCN(c3nccc(OCC)n3)CC2)c1 ZINC000539926950 504740728 /nfs/dbraw/zinc/74/07/28/504740728.db2.gz FUGPKXHPZLAAEX-UHFFFAOYSA-N 0 3 368.481 3.152 20 30 FGEDHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C(C#N)CCc1ccccc1 ZINC000539935654 504742995 /nfs/dbraw/zinc/74/29/95/504742995.db2.gz PARGRPXXBGVVTM-ZWKOTPCHSA-N 0 3 350.418 3.057 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2Cc2cccc(OC)c2)CC1 ZINC000521585253 504760716 /nfs/dbraw/zinc/76/07/16/504760716.db2.gz YWGQQJARBROJLM-FQEVSTJZSA-N 0 3 371.525 3.452 20 30 FGEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000556200321 504817629 /nfs/dbraw/zinc/81/76/29/504817629.db2.gz BNKPASURNZPAON-DNVCBOLYSA-N 0 3 357.479 3.420 20 30 FGEDHN COc1ccc(OC)c(CNC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000556207875 504819271 /nfs/dbraw/zinc/81/92/71/504819271.db2.gz VMXUSAKDVWCYTN-UHFFFAOYSA-N 0 3 351.450 3.334 20 30 FGEDHN C=CCC(C)(C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000559981161 504963156 /nfs/dbraw/zinc/96/31/56/504963156.db2.gz GGIPBFCAKBRHOT-GOSISDBHSA-N 0 3 357.498 3.394 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN2C[C@@H](c3ccccc3)C3(CCC3)C2)cc1 ZINC000565702979 504963281 /nfs/dbraw/zinc/96/32/81/504963281.db2.gz CFHQWDWZGSYLFA-NRFANRHFSA-N 0 3 359.473 3.444 20 30 FGEDHN COc1ccc([C@@H](C)CCNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000562994207 505013120 /nfs/dbraw/zinc/01/31/20/505013120.db2.gz APIONCPPWJMSDC-INIZCTEOSA-N 0 3 372.490 3.124 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccccc1 ZINC000557061340 505056158 /nfs/dbraw/zinc/05/61/58/505056158.db2.gz XTGUFXRXLKBYRS-XMSQKQJNSA-N 0 3 365.452 3.439 20 30 FGEDHN CC(C)(C)c1ccc(OCCNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000560356025 505057183 /nfs/dbraw/zinc/05/71/83/505057183.db2.gz FZHFEXQCUUOUIM-LJQANCHMSA-N 0 3 368.477 3.264 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000560379452 505065254 /nfs/dbraw/zinc/06/52/54/505065254.db2.gz ALRUQWTWMRVPOG-IBGZPJMESA-N 0 3 350.466 3.148 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000554142371 505103952 /nfs/dbraw/zinc/10/39/52/505103952.db2.gz PJYYZHXEWPYLRV-SFHVURJKSA-N 0 3 368.399 3.438 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000560540598 505119619 /nfs/dbraw/zinc/11/96/19/505119619.db2.gz QXOHRMNZANXDKH-HLAWJBBLSA-N 0 3 363.461 3.438 20 30 FGEDHN N#Cc1cscc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000550950045 505128735 /nfs/dbraw/zinc/12/87/35/505128735.db2.gz CIOPCWWBHPHHRF-UHFFFAOYSA-N 0 3 373.453 3.032 20 30 FGEDHN CC(C#N)C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000557448742 505137326 /nfs/dbraw/zinc/13/73/26/505137326.db2.gz NARZGAVTCMBENY-GHTZIAJQSA-N 0 3 362.477 3.234 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC3CCC2CC3)cc1 ZINC000554321709 505144403 /nfs/dbraw/zinc/14/44/03/505144403.db2.gz ZCYXNMFPIPXDMF-WNZJFKNXSA-N 0 3 361.467 3.073 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000557537890 505161343 /nfs/dbraw/zinc/16/13/43/505161343.db2.gz KCFFZYIPGKSHQM-CJNGLKHVSA-N 0 3 351.410 3.296 20 30 FGEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000563628630 505196199 /nfs/dbraw/zinc/19/61/99/505196199.db2.gz NNEPXFZDYXAVMF-LJQANCHMSA-N 0 3 352.482 3.205 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000554564817 505208786 /nfs/dbraw/zinc/20/87/86/505208786.db2.gz XXYFJBFBJOJXOQ-UHFFFAOYSA-N 0 3 374.488 3.414 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000560972362 505220077 /nfs/dbraw/zinc/22/00/77/505220077.db2.gz ITWUZCXNIXUEGK-RDTXWAMCSA-N 0 3 358.438 3.264 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C#N)N(C)C)cc1 ZINC000563908850 505273189 /nfs/dbraw/zinc/27/31/89/505273189.db2.gz ACEFZBQZPHHHSP-SFHVURJKSA-N 0 3 369.425 3.363 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2csc3ccccc23)cc1 ZINC000566925623 505313608 /nfs/dbraw/zinc/31/36/08/505313608.db2.gz GFBNCIVSPYQHAK-KRWDZBQOSA-N 0 3 352.459 3.497 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCC(C)(C)C)cc1 ZINC000558413462 505382309 /nfs/dbraw/zinc/38/23/09/505382309.db2.gz ZLNFELDLSKIXJJ-CYBMUJFWSA-N 0 3 351.472 3.320 20 30 FGEDHN C[C@H]1CCCc2ccccc2[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564321456 505383562 /nfs/dbraw/zinc/38/35/62/505383562.db2.gz CVUIJOCNVNWUKZ-YWZLYKJASA-N 0 3 369.490 3.030 20 30 FGEDHN C=CCOc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000552147032 505414880 /nfs/dbraw/zinc/41/48/80/505414880.db2.gz JONOPUQKTQXIPQ-MOPGFXCFSA-N 0 3 351.874 3.315 20 30 FGEDHN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC000555360088 505417249 /nfs/dbraw/zinc/41/72/49/505417249.db2.gz JYHVOQQRUYAJTK-UHFFFAOYSA-N 0 3 366.513 3.251 20 30 FGEDHN C=CCC[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000552251131 505441732 /nfs/dbraw/zinc/44/17/32/505441732.db2.gz LGCAISPDWNRGHW-APWZRJJASA-N 0 3 370.449 3.201 20 30 FGEDHN C=CCc1cc(OC)ccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000555564183 505458761 /nfs/dbraw/zinc/45/87/61/505458761.db2.gz CBHUIKJDQQFEEB-HXUWFJFHSA-N 0 3 353.462 3.222 20 30 FGEDHN Cc1ccccc1COc1ccc([C@H](C)NCCn2cnc(C#N)n2)cc1 ZINC000552333999 505464436 /nfs/dbraw/zinc/46/44/36/505464436.db2.gz VERZEUNTJULWOS-KRWDZBQOSA-N 0 3 361.449 3.388 20 30 FGEDHN CN1CCN(Cc2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000564690313 505493068 /nfs/dbraw/zinc/49/30/68/505493068.db2.gz SWIGGPUZANCNAY-QHCPKHFHSA-N 0 3 360.505 3.083 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000552474120 505498869 /nfs/dbraw/zinc/49/88/69/505498869.db2.gz KDRHYFWLXSOZKG-SFHVURJKSA-N 0 3 357.841 3.253 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C(C)C)C2(CO)CCC2)c1C ZINC000555728307 505502426 /nfs/dbraw/zinc/50/24/26/505502426.db2.gz JMWBSGWKCGNUBE-OAQYLSRUSA-N 0 3 371.525 3.327 20 30 FGEDHN N#CCCC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000564796566 505522609 /nfs/dbraw/zinc/52/26/09/505522609.db2.gz NLONMKSCKSTXPA-LJQANCHMSA-N 0 3 361.436 3.472 20 30 FGEDHN CN(C)Cc1ccccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000552754794 505549318 /nfs/dbraw/zinc/54/93/18/505549318.db2.gz ASWQWHJDIGEUOF-KRWDZBQOSA-N 0 3 366.440 3.224 20 30 FGEDHN CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000559047249 505557075 /nfs/dbraw/zinc/55/70/75/505557075.db2.gz PRLUQIPVLQUAPH-RTWAWAEBSA-N 0 3 362.477 3.237 20 30 FGEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccccc1C#N ZINC000599262914 506390678 /nfs/dbraw/zinc/39/06/78/506390678.db2.gz BXQRJDBLADSVLS-QGZVFWFLSA-N 0 3 364.367 3.449 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN(CCc1ccc(F)cc1)C1CC1 ZINC000599295207 506401419 /nfs/dbraw/zinc/40/14/19/506401419.db2.gz ZIFYZRKLANRJLA-FQEVSTJZSA-N 0 3 354.425 3.144 20 30 FGEDHN N#Cc1cc2cccnc2nc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596437091 506404166 /nfs/dbraw/zinc/40/41/66/506404166.db2.gz RTUMAUPQPMOTFS-UHFFFAOYSA-N 0 3 358.449 3.221 20 30 FGEDHN CN(Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599312305 506406876 /nfs/dbraw/zinc/40/68/76/506406876.db2.gz PHXZFFRMIGAUGO-HNNXBMFYSA-N 0 3 372.387 3.088 20 30 FGEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000599350258 506422548 /nfs/dbraw/zinc/42/25/48/506422548.db2.gz PIEXDPMBHZHINQ-HOCLYGCPSA-N 0 3 368.424 3.400 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc2ccccc2n1CC#N ZINC000589104242 506442282 /nfs/dbraw/zinc/44/22/82/506442282.db2.gz FQLCCQYIJQRQSB-QGZVFWFLSA-N 0 3 360.461 3.415 20 30 FGEDHN COCC[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599433267 506454567 /nfs/dbraw/zinc/45/45/67/506454567.db2.gz PBHMUDONHVUBRY-CVEARBPZSA-N 0 3 356.388 3.427 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)CCCC(=O)N2)C(C)C ZINC000603287725 506476844 /nfs/dbraw/zinc/47/68/44/506476844.db2.gz FBZCLAUONJXBDO-HXUWFJFHSA-N 0 3 369.509 3.390 20 30 FGEDHN Cc1oc2ccccc2c1CCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000582901191 506479525 /nfs/dbraw/zinc/47/95/25/506479525.db2.gz QEAXRVPHMYEMOU-UHFFFAOYSA-N 0 3 368.458 3.219 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000596596254 506481122 /nfs/dbraw/zinc/48/11/22/506481122.db2.gz LVOVECGGIHSZTO-CBNMVNINSA-N 0 3 368.525 3.275 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000596596255 506481307 /nfs/dbraw/zinc/48/13/07/506481307.db2.gz LVOVECGGIHSZTO-XVAXZDLZSA-N 0 3 368.525 3.275 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)c3ncc(C#N)cc3[N+](=O)[O-])C2)s1 ZINC000603400110 506503516 /nfs/dbraw/zinc/50/35/16/506503516.db2.gz KAXVXKDFGUZHNH-CQSZACIVSA-N 0 3 371.466 3.190 20 30 FGEDHN COc1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)c(C#N)c1 ZINC000596638972 506503483 /nfs/dbraw/zinc/50/34/83/506503483.db2.gz GRUZCJFBIJHNHE-UHFFFAOYSA-N 0 3 352.434 3.069 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)C1 ZINC000596670229 506523865 /nfs/dbraw/zinc/52/38/65/506523865.db2.gz BPZBGMJNLYNZJX-OAQYLSRUSA-N 0 3 362.477 3.017 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599623800 506535644 /nfs/dbraw/zinc/53/56/44/506535644.db2.gz CDMXZIVMFRWQLC-FSIPBHDLSA-N 0 3 361.511 3.278 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)Nc3cccc(F)c3)CCOCC2)cc1 ZINC000599632235 506540042 /nfs/dbraw/zinc/54/00/42/506540042.db2.gz WQLYIIRSDMQURB-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN N#Cc1ccccc1S(=O)(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000603777327 506615914 /nfs/dbraw/zinc/61/59/14/506615914.db2.gz YHNNYLOIUZJXEB-UHFFFAOYSA-N 0 3 361.511 3.025 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000599793860 506640123 /nfs/dbraw/zinc/64/01/23/506640123.db2.gz WPUFWOZQKIOFFM-UONOGXRCSA-N 0 3 361.467 3.074 20 30 FGEDHN N#Cc1cccc(CN2CCC(Nc3cc(NCC4CC4)ncn3)CC2)c1 ZINC000593514972 506663437 /nfs/dbraw/zinc/66/34/37/506663437.db2.gz IJMJKETWNUKOIS-UHFFFAOYSA-N 0 3 362.481 3.247 20 30 FGEDHN N#C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1cccc(Br)c1 ZINC000612652814 506673507 /nfs/dbraw/zinc/67/35/07/506673507.db2.gz RUKUNZNJLNZKQW-HZPDHXFCSA-N 0 3 362.271 3.004 20 30 FGEDHN CC[C@@H](C#N)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593540385 506678627 /nfs/dbraw/zinc/67/86/27/506678627.db2.gz ULVSZHFNWPSABN-ZWKOTPCHSA-N 0 3 351.454 3.127 20 30 FGEDHN C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCN1Cc1ccccc1 ZINC000583339160 506724963 /nfs/dbraw/zinc/72/49/63/506724963.db2.gz WPCKBDBORXCGRV-HNNXBMFYSA-N 0 3 365.437 3.149 20 30 FGEDHN COc1ccc(C[C@H]2CCCCN2Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000593676963 506725755 /nfs/dbraw/zinc/72/57/55/506725755.db2.gz RKHVIQBRJOHDBO-LJQANCHMSA-N 0 3 361.449 3.207 20 30 FGEDHN N#Cc1cccc(CN2CCC(N[C@H](c3nc[nH]n3)c3ccccc3)CC2)c1 ZINC000593723374 506748152 /nfs/dbraw/zinc/74/81/52/506748152.db2.gz VBDRTDSQCJHWSV-NRFANRHFSA-N 0 3 372.476 3.020 20 30 FGEDHN COc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC000608983180 506758318 /nfs/dbraw/zinc/75/83/18/506758318.db2.gz OHYMZWVCLSJQJX-UHFFFAOYSA-N 0 3 356.857 3.374 20 30 FGEDHN N#CC1(CC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CCOCC1 ZINC000597114445 506783090 /nfs/dbraw/zinc/78/30/90/506783090.db2.gz GRYOLINFWCKTSE-LJQANCHMSA-N 0 3 355.482 3.040 20 30 FGEDHN COC(=O)c1oc(CNC2CCN(Cc3cccc(C#N)c3)CC2)cc1C ZINC000597158595 506804528 /nfs/dbraw/zinc/80/45/28/506804528.db2.gz VDMXNPIOXMNUIC-UHFFFAOYSA-N 0 3 367.449 3.001 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000597166064 506807951 /nfs/dbraw/zinc/80/79/51/506807951.db2.gz BOPRSQSBKQJILN-MRXNPFEDSA-N 0 3 352.519 3.147 20 30 FGEDHN C=CCCOCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000600170432 506819642 /nfs/dbraw/zinc/81/96/42/506819642.db2.gz AFJZSXKBZOPXDR-UHFFFAOYSA-N 0 3 350.890 3.357 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](C(=O)NC(C)C)C2)cc1OCCCC#N ZINC000597230479 506850172 /nfs/dbraw/zinc/85/01/72/506850172.db2.gz GUFLKYCWPSYLAS-GOSISDBHSA-N 0 3 373.497 3.114 20 30 FGEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000583568022 506853806 /nfs/dbraw/zinc/85/38/06/506853806.db2.gz UJOHJVWJUFVVAW-IEBWSBKVSA-N 0 3 372.375 3.280 20 30 FGEDHN C[C@H](O)[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000597249343 506859660 /nfs/dbraw/zinc/85/96/60/506859660.db2.gz QMXGVCFHIZXBMV-JXFKEZNVSA-N 0 3 361.449 3.070 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000593973141 506860437 /nfs/dbraw/zinc/86/04/37/506860437.db2.gz LVYOQIJBLMYNPV-KRWDZBQOSA-N 0 3 367.468 3.466 20 30 FGEDHN CC(C)OC(=O)C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000594041677 506902494 /nfs/dbraw/zinc/90/24/94/506902494.db2.gz OXGMKJOEBULZCQ-HNNXBMFYSA-N 0 3 365.861 3.106 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H](CC(=O)OC(C)C)C(C)C)c(C#N)c1C ZINC000594045539 506904495 /nfs/dbraw/zinc/90/44/95/506904495.db2.gz ITHNBDSXSGVYDA-OAHLLOKOSA-N 0 3 365.499 3.131 20 30 FGEDHN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCC(F)(F)CC1 ZINC000594045435 506904874 /nfs/dbraw/zinc/90/48/74/506904874.db2.gz YAQKUEDOTZZKNF-CYBMUJFWSA-N 0 3 356.438 3.136 20 30 FGEDHN Cc1nnc(NCc2ccc(OCCN3CCCC3)cc2)c(C#N)c1C ZINC000609513757 506905053 /nfs/dbraw/zinc/90/50/53/506905053.db2.gz LBHLEXJMMAXEAU-UHFFFAOYSA-N 0 3 351.454 3.052 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000590691265 506911788 /nfs/dbraw/zinc/91/17/88/506911788.db2.gz RUZCTORJBIDTIH-KRWDZBQOSA-N 0 3 371.282 3.426 20 30 FGEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccnc1 ZINC000609659971 506965051 /nfs/dbraw/zinc/96/50/51/506965051.db2.gz CNEQIINILLPLSY-QGZVFWFLSA-N 0 3 350.466 3.037 20 30 FGEDHN N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCN(C4CC4)C3)c2)cc1 ZINC000609660707 506965195 /nfs/dbraw/zinc/96/51/95/506965195.db2.gz MMCVPTNHWISFMY-LJQANCHMSA-N 0 3 361.445 3.104 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1C#N ZINC000590845960 506996587 /nfs/dbraw/zinc/99/65/87/506996587.db2.gz DPPBSLAXNLJLKW-KRWDZBQOSA-N 0 3 356.470 3.341 20 30 FGEDHN CCCN1CCN(c2ccc(NC(=O)[C@@H](C)CC#N)c(OCC)c2)CC1 ZINC000597545443 507002521 /nfs/dbraw/zinc/00/25/21/507002521.db2.gz OINOVMULQIKPAK-INIZCTEOSA-N 0 3 358.486 3.106 20 30 FGEDHN C[C@](CO)(NCCOc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000609799885 507006083 /nfs/dbraw/zinc/00/60/83/507006083.db2.gz QSQGVXXIXIFDPR-GOSISDBHSA-N 0 3 364.367 3.453 20 30 FGEDHN C[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCCC[C@@H]1C ZINC000594209865 507011621 /nfs/dbraw/zinc/01/16/21/507011621.db2.gz XJDQTFPKVNKBBN-DLBZAZTESA-N 0 3 354.498 3.500 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000613302213 507020126 /nfs/dbraw/zinc/02/01/26/507020126.db2.gz UYEMNNHASQSTTJ-SFHVURJKSA-N 0 3 364.449 3.305 20 30 FGEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000597604499 507026374 /nfs/dbraw/zinc/02/63/74/507026374.db2.gz JDJAZQQLZMRHSI-SFHVURJKSA-N 0 3 364.449 3.302 20 30 FGEDHN COc1cccc(NC(=O)CCN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000583895818 507037127 /nfs/dbraw/zinc/03/71/27/507037127.db2.gz ZWTOZOKCAIDLLF-UHFFFAOYSA-N 0 3 367.449 3.044 20 30 FGEDHN N#Cc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)nc2ccccc12 ZINC000609892923 507039969 /nfs/dbraw/zinc/03/99/69/507039969.db2.gz LCGCQSWORSSGGP-UHFFFAOYSA-N 0 3 372.472 3.097 20 30 FGEDHN N#Cc1ccc(CN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C2CC2)cc1 ZINC000594283991 507063613 /nfs/dbraw/zinc/06/36/13/507063613.db2.gz PNELQKGXQYEXON-PMACEKPBSA-N 0 3 352.482 3.249 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccc(F)cc1C(F)(F)F ZINC000600715236 507077987 /nfs/dbraw/zinc/07/79/87/507077987.db2.gz AODYUTIOVQRODX-HNNXBMFYSA-N 0 3 368.330 3.246 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000600720380 507081168 /nfs/dbraw/zinc/08/11/68/507081168.db2.gz PAUSWRVUHUJZHV-IBGZPJMESA-N 0 3 367.424 3.222 20 30 FGEDHN C[C@@H](CNC[C@H](O)COc1ccccc1C#N)Oc1ccccc1Cl ZINC000600722565 507081500 /nfs/dbraw/zinc/08/15/00/507081500.db2.gz HNZDOQBBUFZHMN-HOCLYGCPSA-N 0 3 360.841 3.008 20 30 FGEDHN CC(C)COc1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1 ZINC000600723110 507081572 /nfs/dbraw/zinc/08/15/72/507081572.db2.gz VRIMOQKCMKXOOD-LJQANCHMSA-N 0 3 354.450 3.123 20 30 FGEDHN CC1(C)C[C@H](NC[C@H](O)CC2(C#N)CCOCC2)c2ccc(F)cc2O1 ZINC000600724516 507083077 /nfs/dbraw/zinc/08/30/77/507083077.db2.gz AJYVTBCFDHDAMQ-WBVHZDCISA-N 0 3 362.445 3.089 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCCOc3cc(Cl)ccc32)CCOCC1 ZINC000600733260 507090071 /nfs/dbraw/zinc/09/00/71/507090071.db2.gz XYNBHIPJPGYYRV-RDJZCZTQSA-N 0 3 364.873 3.215 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2csc(C(F)(F)F)c2)cc1 ZINC000600757867 507103883 /nfs/dbraw/zinc/10/38/83/507103883.db2.gz MLKJDJNGWDKESA-CQSZACIVSA-N 0 3 370.396 3.362 20 30 FGEDHN COC(=O)[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)Cc2ccccc21 ZINC000600763800 507107492 /nfs/dbraw/zinc/10/74/92/507107492.db2.gz PIOHKJWNXPRMDC-XLIONFOSSA-N 0 3 362.429 3.058 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000594429040 507127082 /nfs/dbraw/zinc/12/70/82/507127082.db2.gz PYLFXDJZTFTCIX-INIZCTEOSA-N 0 3 364.287 3.351 20 30 FGEDHN Cc1nc(-c2ccc(CCNC(=O)[C@@H](N)CCCCC#N)cc2)cs1 ZINC000594431112 507129603 /nfs/dbraw/zinc/12/96/03/507129603.db2.gz HSKXLUMJLKMARA-KRWDZBQOSA-N 0 3 356.495 3.189 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000594435119 507131072 /nfs/dbraw/zinc/13/10/72/507131072.db2.gz ARHIHIXDPVANNL-HZPDHXFCSA-N 0 3 370.280 3.305 20 30 FGEDHN COc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1OC1CCCC1 ZINC000594434199 507131118 /nfs/dbraw/zinc/13/11/18/507131118.db2.gz LIALKOLZHMRQOQ-QGZVFWFLSA-N 0 3 359.470 3.044 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000594434444 507131876 /nfs/dbraw/zinc/13/18/76/507131876.db2.gz ZIEJJLDLQZPWQK-ZDUSSCGKSA-N 0 3 363.874 3.132 20 30 FGEDHN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594437104 507132358 /nfs/dbraw/zinc/13/23/58/507132358.db2.gz IATVBAXOWNUHEL-CRAIPNDOSA-N 0 3 353.470 3.131 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000594438378 507133125 /nfs/dbraw/zinc/13/31/25/507133125.db2.gz MZXRHMWYAWIGSL-GOSISDBHSA-N 0 3 371.481 3.488 20 30 FGEDHN C[C@@H](c1ccccc1Br)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594443807 507134675 /nfs/dbraw/zinc/13/46/75/507134675.db2.gz VBVKTGXNVLEZJV-WFASDCNBSA-N 0 3 352.276 3.380 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000594440994 507135291 /nfs/dbraw/zinc/13/52/91/507135291.db2.gz KMRAVMFDYVGKDR-MSOLQXFVSA-N 0 3 362.905 3.004 20 30 FGEDHN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@H](N)CCCCC#N ZINC000594444164 507136357 /nfs/dbraw/zinc/13/63/57/507136357.db2.gz YOLOOCAIZKFBHV-AWEZNQCLSA-N 0 3 372.694 3.472 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000594455594 507140780 /nfs/dbraw/zinc/14/07/80/507140780.db2.gz ZXUWGQWTTAVPIX-SFHVURJKSA-N 0 3 354.429 3.334 20 30 FGEDHN CCCc1c(NC(=O)[C@@H](N)CCCCC#N)cnn1-c1ccc(F)cc1 ZINC000594456852 507143313 /nfs/dbraw/zinc/14/33/13/507143313.db2.gz UGMYYFVDULQQEJ-INIZCTEOSA-N 0 3 357.433 3.314 20 30 FGEDHN C[C@@H]1CN(c2ccc(CNCc3ccc(C(C)(C)C#N)cc3)cn2)CCO1 ZINC000594494889 507154266 /nfs/dbraw/zinc/15/42/66/507154266.db2.gz KFJRLYOPJAQVTR-QGZVFWFLSA-N 0 3 364.493 3.398 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1 ZINC000594495428 507154453 /nfs/dbraw/zinc/15/44/53/507154453.db2.gz SALQBFMZQZZSEE-UHFFFAOYSA-N 0 3 350.466 3.009 20 30 FGEDHN C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551844 507181949 /nfs/dbraw/zinc/18/19/49/507181949.db2.gz SFFSOKQUMUQUHO-VHSSKADRSA-N 0 3 360.889 3.145 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3ccccc3CC#N)c(C)c2)CC1 ZINC000600952597 507205132 /nfs/dbraw/zinc/20/51/32/507205132.db2.gz PZAMOSFOKFMAOL-UHFFFAOYSA-N 0 3 362.477 3.455 20 30 FGEDHN C=CCCCN(C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000605740713 507281325 /nfs/dbraw/zinc/28/13/25/507281325.db2.gz UHSUWYPGIMPOOO-UHFFFAOYSA-N 0 3 358.482 3.241 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601187367 507291023 /nfs/dbraw/zinc/29/10/23/507291023.db2.gz LYXXFHIFWWVIFB-SFHVURJKSA-N 0 3 362.477 3.477 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000598200444 507311112 /nfs/dbraw/zinc/31/11/12/507311112.db2.gz WLNDLKSHRNAFJU-BHIFYINESA-N 0 3 362.473 3.384 20 30 FGEDHN N#CC1(c2ccc(CNCc3ccc(CN4CCOCC4)cc3)cc2)CC1 ZINC000594918329 507313793 /nfs/dbraw/zinc/31/37/93/507313793.db2.gz NVXVJGOWSUVSKO-UHFFFAOYSA-N 0 3 361.489 3.364 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598232505 507334326 /nfs/dbraw/zinc/33/43/26/507334326.db2.gz YLZOYFVNCLCBSC-AZUAARDMSA-N 0 3 352.409 3.498 20 30 FGEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594964701 507335227 /nfs/dbraw/zinc/33/52/27/507335227.db2.gz MHUYQUFXYYRGHU-UDCNLSRBSA-N 0 3 370.522 3.243 20 30 FGEDHN COc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cc(OC)c1 ZINC000594984625 507342025 /nfs/dbraw/zinc/34/20/25/507342025.db2.gz OQRHFPXXSIFVKU-UHFFFAOYSA-N 0 3 352.434 3.371 20 30 FGEDHN CSc1ccc(OC[C@H](O)CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764885 507352707 /nfs/dbraw/zinc/35/27/07/507352707.db2.gz OLWPBCWSKXITHJ-OXQOHEQNSA-N 0 3 354.475 3.297 20 30 FGEDHN CC(C)(C#N)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000614175616 507395322 /nfs/dbraw/zinc/39/53/22/507395322.db2.gz ZZEKAWQCFSACSL-QGZVFWFLSA-N 0 3 365.437 3.477 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2sc(C)nc2-c2cccs2)CC1 ZINC000592068735 507474661 /nfs/dbraw/zinc/47/46/61/507474661.db2.gz WERYUXVHNFAAST-UHFFFAOYSA-N 0 3 361.536 3.489 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000610998353 507476681 /nfs/dbraw/zinc/47/66/81/507476681.db2.gz YGSHWQILNYAOLV-UXHICEINSA-N 0 3 369.509 3.299 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000614402441 507498184 /nfs/dbraw/zinc/49/81/84/507498184.db2.gz YCMPIJZUDQWMFS-QGZVFWFLSA-N 0 3 367.415 3.490 20 30 FGEDHN CCOc1cc(CN(C)C[C@H](O)CC(C)(C)C#N)ccc1OC(F)F ZINC000598588284 507508735 /nfs/dbraw/zinc/50/87/35/507508735.db2.gz HPKXCEJEJKOTIM-CQSZACIVSA-N 0 3 356.413 3.419 20 30 FGEDHN COc1cc(CN(C)C[C@H](O)CC(C)(C)C#N)c(SC)cc1OC ZINC000598592788 507509859 /nfs/dbraw/zinc/50/98/59/507509859.db2.gz MZEUBSZCXIXCSQ-CQSZACIVSA-N 0 3 352.500 3.158 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000598597332 507512818 /nfs/dbraw/zinc/51/28/18/507512818.db2.gz ZNJWVHWGTTUDON-WBVHZDCISA-N 0 3 372.444 3.356 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H](O)CC(C)(C)C#N ZINC000598609084 507515692 /nfs/dbraw/zinc/51/56/92/507515692.db2.gz QDEYKCKDCCDSHF-NXOAAHMSSA-N 0 3 350.503 3.262 20 30 FGEDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598614690 507519582 /nfs/dbraw/zinc/51/95/82/507519582.db2.gz RNDITLOJZPPEJA-AEFFLSMTSA-N 0 3 352.482 3.046 20 30 FGEDHN C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000611112900 507520908 /nfs/dbraw/zinc/52/09/08/507520908.db2.gz YEPCVBCOMJXMRQ-LJQANCHMSA-N 0 3 356.422 3.195 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC3(C[C@@H]2C)CCOCC3)c1C ZINC000592181914 507526656 /nfs/dbraw/zinc/52/66/56/507526656.db2.gz JGNWCKCCBVKRCU-SFHVURJKSA-N 0 3 369.509 3.441 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592183033 507527914 /nfs/dbraw/zinc/52/79/14/507527914.db2.gz HTXYVFLTROMIRU-UONOGXRCSA-N 0 3 361.873 3.430 20 30 FGEDHN CCCCN(CC(=O)N(CC)C[C@H](C)C#N)[C@H]1CCc2ncsc2C1 ZINC000592187261 507529193 /nfs/dbraw/zinc/52/91/93/507529193.db2.gz ISACIHDDDQAHIP-CVEARBPZSA-N 0 3 362.543 3.111 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(NC(=O)c2ccccc2)c1 ZINC000598716109 507566751 /nfs/dbraw/zinc/56/67/51/507566751.db2.gz XLCUZDWWCFYYHH-IBGZPJMESA-N 0 3 351.450 3.329 20 30 FGEDHN CC(C)C[C@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000611251486 507582518 /nfs/dbraw/zinc/58/25/18/507582518.db2.gz USPLVEJVGDJVOD-SJLPKXTDSA-N 0 3 367.415 3.495 20 30 FGEDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000585726124 507606143 /nfs/dbraw/zinc/60/61/43/507606143.db2.gz VUFGQDDPCMIMCH-OLZOCXBDSA-N 0 3 360.255 3.222 20 30 FGEDHN Cc1sc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c(C#N)c1C ZINC000598800825 507607017 /nfs/dbraw/zinc/60/70/17/507607017.db2.gz BJUHWLKHVHNNGS-CMPLNLGQSA-N 0 3 362.373 3.159 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CCOCC2)CC1 ZINC000585755981 507617627 /nfs/dbraw/zinc/61/76/27/507617627.db2.gz VEFCBNBWRSEQTO-IDYZSHNDSA-N 0 3 361.530 3.198 20 30 FGEDHN CC(C)[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cn1 ZINC000585794424 507632416 /nfs/dbraw/zinc/63/24/16/507632416.db2.gz UANRVPBETQVYOH-HXUWFJFHSA-N 0 3 353.445 3.443 20 30 FGEDHN CS(=O)(=O)Cc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393934 507658619 /nfs/dbraw/zinc/65/86/19/507658619.db2.gz TZBQJGOZYSRGEJ-HXUWFJFHSA-N 0 3 354.475 3.270 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCCS(=O)(=O)c1ccccc1 ZINC000611391698 507658708 /nfs/dbraw/zinc/65/87/08/507658708.db2.gz AGKUOPUXXXOUHQ-FQEVSTJZSA-N 0 3 354.475 3.389 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)CCS2(=O)=O ZINC000611394345 507661280 /nfs/dbraw/zinc/66/12/80/507661280.db2.gz DDBZCMQICSGFKG-LJQANCHMSA-N 0 3 352.459 3.055 20 30 FGEDHN CC(C)Oc1ncccc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000586788683 507672821 /nfs/dbraw/zinc/67/28/21/507672821.db2.gz HARYTNSRFNUIEA-UHFFFAOYSA-N 0 3 350.466 3.499 20 30 FGEDHN CN1CC=C(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000611430870 507679272 /nfs/dbraw/zinc/67/92/72/507679272.db2.gz XCIVILAKPSJUNN-UHFFFAOYSA-N 0 3 363.421 3.129 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000586823736 507685123 /nfs/dbraw/zinc/68/51/23/507685123.db2.gz NOEIQJNCZXOTIX-SFHVURJKSA-N 0 3 356.857 3.420 20 30 FGEDHN CS[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(F)c32)C[C@@H]1N1CCCC1 ZINC000614977703 507712161 /nfs/dbraw/zinc/71/21/61/507712161.db2.gz CRZPGMGZEVRQBH-JKSUJKDBSA-N 0 3 374.460 3.401 20 30 FGEDHN N#Cc1cccc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000602522751 507736326 /nfs/dbraw/zinc/73/63/26/507736326.db2.gz WKFGUUBXBMXILI-CQSZACIVSA-N 0 3 371.282 3.332 20 30 FGEDHN Cc1cc(C)n(-c2ccc(CN[C@H](C)CC3(C#N)CCOCC3)cn2)n1 ZINC000602521883 507736945 /nfs/dbraw/zinc/73/69/45/507736945.db2.gz RNVLVBHYWIRLGG-MRXNPFEDSA-N 0 3 353.470 3.073 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)n1 ZINC000602549064 507746330 /nfs/dbraw/zinc/74/63/30/507746330.db2.gz BKJOMKHHHLUGDO-OAHLLOKOSA-N 0 3 362.355 3.220 20 30 FGEDHN CCC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736480358 598537242 /nfs/dbraw/zinc/53/72/42/598537242.db2.gz NVUISNIWOOKGLL-UHFFFAOYSA-N 0 3 362.437 3.181 20 30 FGEDHN CCC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736480358 598537243 /nfs/dbraw/zinc/53/72/43/598537243.db2.gz NVUISNIWOOKGLL-UHFFFAOYSA-N 0 3 362.437 3.181 20 30 FGEDHN CCC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736480358 598537245 /nfs/dbraw/zinc/53/72/45/598537245.db2.gz NVUISNIWOOKGLL-UHFFFAOYSA-N 0 3 362.437 3.181 20 30 FGEDHN CCC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736480358 598537246 /nfs/dbraw/zinc/53/72/46/598537246.db2.gz NVUISNIWOOKGLL-UHFFFAOYSA-N 0 3 362.437 3.181 20 30 FGEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106391 600597109 /nfs/dbraw/zinc/59/71/09/600597109.db2.gz LZTJHKMELIVOMI-PZJWPPBQSA-N 0 3 363.461 3.186 20 30 FGEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106391 600597112 /nfs/dbraw/zinc/59/71/12/600597112.db2.gz LZTJHKMELIVOMI-PZJWPPBQSA-N 0 3 363.461 3.186 20 30 FGEDHN CC[NH+](CC)Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829679629 601298219 /nfs/dbraw/zinc/29/82/19/601298219.db2.gz AFXAENAJCMEQNZ-FQEVSTJZSA-N 0 3 351.450 3.316 20 30 FGEDHN N#Cc1cccc([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C(=O)[O-])c1 ZINC000833076458 601299385 /nfs/dbraw/zinc/29/93/85/601299385.db2.gz VKUQBCCQSQEQKE-OAQYLSRUSA-N 0 3 363.461 3.460 20 30 FGEDHN COc1ccc(-c2nn[nH]n2)cc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000826182192 607519646 /nfs/dbraw/zinc/51/96/46/607519646.db2.gz CNNDXTUTLMNGOQ-UHFFFAOYSA-N 0 3 362.437 3.158 20 30 FGEDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000041510133 695762941 /nfs/dbraw/zinc/76/29/41/695762941.db2.gz PQHZOHHNEUFNLS-IUODEOHRSA-N 0 3 358.829 3.302 20 30 FGEDHN N#CC(C(=O)CC[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000111945286 700551787 /nfs/dbraw/zinc/55/17/87/700551787.db2.gz SEZGLDVONWDOJL-OLZOCXBDSA-N 0 3 352.793 3.476 20 30 FGEDHN N#CC(C(=O)CSCc1cccc(Cl)c1)C(=O)NC1CCCC1 ZINC000119744510 700637647 /nfs/dbraw/zinc/63/76/47/700637647.db2.gz WFWJYHJNCOMWCU-OAHLLOKOSA-N 0 3 350.871 3.341 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc2c1OCO2 ZINC000123453832 700704851 /nfs/dbraw/zinc/70/48/51/700704851.db2.gz NOVLTAFWAGKQKN-LLVKDONJSA-N 0 3 360.728 3.169 20 30 FGEDHN N#CC(C(=O)CCSc1nc2ccccc2s1)C(=O)N1CCCC1 ZINC000124728792 700724098 /nfs/dbraw/zinc/72/40/98/700724098.db2.gz JRSDHZUNECKEMK-GFCCVEGCSA-N 0 3 359.476 3.110 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000125719009 700738877 /nfs/dbraw/zinc/73/88/77/700738877.db2.gz NBQLUEWBIQVCSK-CYBMUJFWSA-N 0 3 354.809 3.263 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@H](C3OCCO3)C2)cc1 ZINC000178940840 705682155 /nfs/dbraw/zinc/68/21/55/705682155.db2.gz RMWSRUWVZKRDOG-HNNXBMFYSA-N 0 3 355.356 3.022 20 30 FGEDHN N#Cc1cc(Br)cnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309900420 713797085 /nfs/dbraw/zinc/79/70/85/713797085.db2.gz OTZZYGURBXFGDQ-MRXNPFEDSA-N 0 3 357.255 3.402 20 30 FGEDHN C#CCOc1ccc(Br)cc1CN[C@@H](CO)Cc1ccccc1 ZINC000320513035 713810716 /nfs/dbraw/zinc/81/07/16/713810716.db2.gz CZUYDEFCACHQSB-GOSISDBHSA-N 0 3 374.278 3.154 20 30 FGEDHN CN1C[C@H](NC(=O)c2cccc(SCC#N)c2)[C@@H](c2ccccc2)C1 ZINC000374299106 713911889 /nfs/dbraw/zinc/91/18/89/713911889.db2.gz XEWKPDKEWBMTOT-MOPGFXCFSA-N 0 3 351.475 3.130 20 30 FGEDHN C=CCOc1c(Cl)cc(CNCCC(=O)N2CCCCC2)cc1OC ZINC000623362248 715319062 /nfs/dbraw/zinc/31/90/62/715319062.db2.gz MAUZZHAFJJBEOL-UHFFFAOYSA-N 0 3 366.889 3.406 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2C[C@H](OCC)[C@H]2OC)cc1OC ZINC000628238907 716128305 /nfs/dbraw/zinc/12/83/05/716128305.db2.gz TVIYIYFVSPMFCX-HFTRVMKXSA-N 0 3 355.862 3.195 20 30 FGEDHN C=CCOc1c(Br)cc(CNC/C=C/CO)cc1OCC ZINC000657591474 719680815 /nfs/dbraw/zinc/68/08/15/719680815.db2.gz HVTWZKUXQYCPNZ-AATRIKPKSA-N 0 3 356.260 3.051 20 30 FGEDHN Cc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)ccc1CC#N ZINC001164857361 721006741 /nfs/dbraw/zinc/00/67/41/721006741.db2.gz DIOSYDNWVANYKT-MRXNPFEDSA-N 0 3 352.486 3.074 20 30 FGEDHN Cc1cc(C#N)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164906404 721527614 /nfs/dbraw/zinc/52/76/14/721527614.db2.gz KYTKTBRCDZSIFK-UYAOXDASSA-N 0 3 366.440 3.051 20 30 FGEDHN CCC#C[C@H](C)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479937 721897264 /nfs/dbraw/zinc/89/72/64/721897264.db2.gz RSZCRGUYUWXGIA-UONOGXRCSA-N 0 3 364.287 3.297 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](CO)c1ccc(Cl)cc1 ZINC000679831581 722049341 /nfs/dbraw/zinc/04/93/41/722049341.db2.gz CTZYRXTZJZTYJC-RTBURBONSA-N 0 3 361.869 3.131 20 30 FGEDHN COCC#CCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000682436219 722246631 /nfs/dbraw/zinc/24/66/31/722246631.db2.gz MRDKVJCUENWUED-UHFFFAOYSA-N 0 3 352.272 3.080 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSc3nncn3C(C)C)nc21 ZINC000735790113 722519256 /nfs/dbraw/zinc/51/92/56/722519256.db2.gz VAIFWQHWEPMOCG-LBPRGKRZSA-N 0 3 354.439 3.012 20 30 FGEDHN COc1cccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000752160277 722846837 /nfs/dbraw/zinc/84/68/37/722846837.db2.gz INIBFQINQAOYBB-LBPRGKRZSA-N 0 3 364.188 3.358 20 30 FGEDHN CCN(CCc1nccs1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000754364910 722935967 /nfs/dbraw/zinc/93/59/67/722935967.db2.gz DOQCPKJNVIXTIS-ZDUSSCGKSA-N 0 3 370.503 3.494 20 30 FGEDHN CCN(CCc1nccs1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000754364909 722935971 /nfs/dbraw/zinc/93/59/71/722935971.db2.gz DOQCPKJNVIXTIS-CYBMUJFWSA-N 0 3 370.503 3.494 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793446487 723439594 /nfs/dbraw/zinc/43/95/94/723439594.db2.gz VPVWLVADWJWJJL-UHFFFAOYSA-N 0 3 361.483 3.075 20 30 FGEDHN C=CCn1c(=S)n(CN2CC[C@@H](N3CC=CC3)C2)nc1-c1cccs1 ZINC000765035068 723471648 /nfs/dbraw/zinc/47/16/48/723471648.db2.gz JZLOHSHQDJXJTD-OAHLLOKOSA-N 0 3 373.551 3.232 20 30 FGEDHN CCCC[C@H](NC(=O)NCC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797571882 723836452 /nfs/dbraw/zinc/83/64/52/723836452.db2.gz WMLPPDYVAHAQCI-STQMWFEESA-N 0 3 364.515 3.495 20 30 FGEDHN CCCCCCCS(=O)(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000799639804 724073548 /nfs/dbraw/zinc/07/35/48/724073548.db2.gz HKAUNEWBFHXXNN-UHFFFAOYSA-N 0 3 367.559 3.146 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000776518063 724154325 /nfs/dbraw/zinc/15/43/25/724154325.db2.gz UTANTLGBTCQZDI-FRRDWIJNSA-N 0 3 364.829 3.120 20 30 FGEDHN O=C(OCC#Cc1ccc(C(F)(F)F)cc1)C1CCN(C2CC2)CC1 ZINC000801874887 724342661 /nfs/dbraw/zinc/34/26/61/724342661.db2.gz GBBYNCLVROHMPT-UHFFFAOYSA-N 0 3 351.368 3.475 20 30 FGEDHN C[C@@H](C#N)OCCN1CCC(Oc2cccc(Br)c2)CC1 ZINC000801941723 724348657 /nfs/dbraw/zinc/34/86/57/724348657.db2.gz VAVOJIFMBVPBHB-ZDUSSCGKSA-N 0 3 353.260 3.221 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc(C#N)s2)C1 ZINC000784732681 724875438 /nfs/dbraw/zinc/87/54/38/724875438.db2.gz RNWVGBIDDSIXTN-UHFFFAOYSA-N 0 3 355.463 3.001 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCOCC1 ZINC000786308639 724972266 /nfs/dbraw/zinc/97/22/66/724972266.db2.gz QVTNREWKOPFOQE-JQWIXIFHSA-N 0 3 355.221 3.457 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000813060165 726834375 /nfs/dbraw/zinc/83/43/75/726834375.db2.gz RKXNOSXGOLVTFL-ZYHUDNBSSA-N 0 3 369.234 3.315 20 30 FGEDHN COc1cccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813213120 726851127 /nfs/dbraw/zinc/85/11/27/726851127.db2.gz IVPPXBBXEICCAZ-CQSZACIVSA-N 0 3 350.296 3.364 20 30 FGEDHN C#CCNC(=O)CCN(CCC)[C@H](C)c1ccccc1Br ZINC000815021799 727021152 /nfs/dbraw/zinc/02/11/52/727021152.db2.gz UCYBZMQFKDPKGU-CQSZACIVSA-N 0 3 351.288 3.362 20 30 FGEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](CC)O1 ZINC000817280476 727235936 /nfs/dbraw/zinc/23/59/36/727235936.db2.gz HHXIVRSCTIDLBG-QLFBSQMISA-N 0 3 357.479 3.362 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1coc2c1cc(Br)cc2C ZINC000818611806 727316658 /nfs/dbraw/zinc/31/66/58/727316658.db2.gz DKVFDWNUICIRLS-UHFFFAOYSA-N 0 3 363.255 3.189 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC[C@H](n2ccnn2)C1 ZINC000819897523 728950865 /nfs/dbraw/zinc/95/08/65/728950865.db2.gz QTHJXKRJQLYHHP-HNNXBMFYSA-N 0 3 354.483 3.201 20 30 FGEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000823905880 729312416 /nfs/dbraw/zinc/31/24/16/729312416.db2.gz NYPDBYGSYQMJSL-OAHLLOKOSA-N 0 3 354.841 3.130 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)C#Cc1cccs1)c1cccc(OC)c1 ZINC000824237836 729326115 /nfs/dbraw/zinc/32/61/15/729326115.db2.gz WRWDORDWMULTLE-LJQANCHMSA-N 0 3 356.491 3.308 20 30 FGEDHN C#CCCN(CCOC)Cc1cc(Br)c(OCC)c(OC)c1 ZINC000827823836 729435587 /nfs/dbraw/zinc/43/55/87/729435587.db2.gz VWJQZGOVDBBQRE-UHFFFAOYSA-N 0 3 370.287 3.328 20 30 FGEDHN COC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000832745065 729729580 /nfs/dbraw/zinc/72/95/80/729729580.db2.gz IJMCGMZGALMYEY-CABCVRRESA-N 0 3 357.479 3.221 20 30 FGEDHN COC[C@]1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCOC1 ZINC000835073467 729856556 /nfs/dbraw/zinc/85/65/56/729856556.db2.gz MRXADRSBRZQDOR-MEDUHNTESA-N 0 3 350.827 3.179 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N)cc2C(F)(F)F)CC1 ZINC000841290581 730230507 /nfs/dbraw/zinc/23/05/07/730230507.db2.gz RUGIUWJWKWAFFZ-UHFFFAOYSA-N 0 3 356.392 3.450 20 30 FGEDHN CN(CCC(=O)Nc1ccccc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000844369992 730708528 /nfs/dbraw/zinc/70/85/28/730708528.db2.gz PEPYSJMKSYXOLH-SFHVURJKSA-N 0 3 357.841 3.206 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2CCCC#N)C1 ZINC000844461550 730722170 /nfs/dbraw/zinc/72/21/70/730722170.db2.gz KLVIWMQCAWDSQO-BRWVUGGUSA-N 0 3 351.491 3.217 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1ccnc1 ZINC000845442562 730850514 /nfs/dbraw/zinc/85/05/14/730850514.db2.gz MREKNXAADJMQSN-JQWIXIFHSA-N 0 3 365.220 3.489 20 30 FGEDHN COc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000846006274 730917762 /nfs/dbraw/zinc/91/77/62/730917762.db2.gz JXWUJBCUEOBSDC-KRWDZBQOSA-N 0 3 360.841 3.394 20 30 FGEDHN Cc1ncc(C(=O)OCC2(C#N)CCN(Cc3ccccc3)CC2)s1 ZINC000847748495 731087202 /nfs/dbraw/zinc/08/72/02/731087202.db2.gz ARBFJICQKQSJRF-UHFFFAOYSA-N 0 3 355.463 3.414 20 30 FGEDHN C#CC[C@H](CCOC)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000858333624 732204447 /nfs/dbraw/zinc/20/44/47/732204447.db2.gz LQZJNPULOQGWGB-OAHLLOKOSA-N 0 3 362.271 3.357 20 30 FGEDHN C=CCOCCN1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606967 732359974 /nfs/dbraw/zinc/35/99/74/732359974.db2.gz UAHNFEZWZAJZHA-KGLIPLIRSA-N 0 3 366.424 3.214 20 30 FGEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000860473807 732519725 /nfs/dbraw/zinc/51/97/25/732519725.db2.gz SBYCPKUEGIIUBG-DOMZBBRYSA-N 0 3 352.818 3.201 20 30 FGEDHN CCC(CC)(CNCCS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F ZINC000872225537 735605279 /nfs/dbraw/zinc/60/52/79/735605279.db2.gz CCVXKAGWEKVNDW-UHFFFAOYSA-N 0 3 362.417 3.290 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000876567462 736114692 /nfs/dbraw/zinc/11/46/92/736114692.db2.gz MMDZIVIDAKDFGK-CYBMUJFWSA-N 0 3 374.815 3.258 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000876618606 736122732 /nfs/dbraw/zinc/12/27/32/736122732.db2.gz ZWCKGGGOJPIUQJ-MFKMUULPSA-N 0 3 350.768 3.275 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000876660183 736128503 /nfs/dbraw/zinc/12/85/03/736128503.db2.gz PDHNPBGTYJIETD-OAHLLOKOSA-N 0 3 352.862 3.103 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000876704171 736134515 /nfs/dbraw/zinc/13/45/15/736134515.db2.gz VAPACBGGFPGFKR-IAGOWNOFSA-N 0 3 364.898 3.280 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC000877143534 736192415 /nfs/dbraw/zinc/19/24/15/736192415.db2.gz RCMXEAOWZOCGHN-GFCCVEGCSA-N 0 3 359.779 3.315 20 30 FGEDHN C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)[C@H](N)CCCC#N ZINC000877256100 736201568 /nfs/dbraw/zinc/20/15/68/736201568.db2.gz NHMKAOZIIZPPDN-SJLPKXTDSA-N 0 3 351.853 3.424 20 30 FGEDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1cc(C#N)cnc1Cl ZINC000877603987 736691620 /nfs/dbraw/zinc/69/16/20/736691620.db2.gz VKBGZWYPAGWYFQ-NEPJUHHUSA-N 0 3 352.866 3.388 20 30 FGEDHN C=CCOc1c(Cl)cc(CN2CCC3(CCNC3=O)CC2)cc1OC ZINC000877781975 736720605 /nfs/dbraw/zinc/72/06/05/736720605.db2.gz IIMMWDUBBJQSCA-UHFFFAOYSA-N 0 3 364.873 3.016 20 30 FGEDHN CN(C)C[C@@H](NC(=O)Nc1cccc(CC#N)n1)c1ccc(Cl)cc1 ZINC000881146732 737295032 /nfs/dbraw/zinc/29/50/32/737295032.db2.gz UXQHUSAGMOFETL-MRXNPFEDSA-N 0 3 357.845 3.225 20 30 FGEDHN Cc1ccc(-c2csc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)n2)cc1 ZINC000884048529 737628320 /nfs/dbraw/zinc/62/83/20/737628320.db2.gz NNWJVLBWRGQGGE-XAUUPUKJSA-N 0 3 352.463 3.196 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C2 ZINC000884421775 737663018 /nfs/dbraw/zinc/66/30/18/737663018.db2.gz CZGHJVWUDMYVLB-VOZQYIJBSA-N 0 3 373.762 3.316 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC1(c3cccc(Cl)c3)CCC1)C2 ZINC000884469111 737666546 /nfs/dbraw/zinc/66/65/46/737666546.db2.gz XAROYZNQYHNTGL-CZDRUDQFSA-N 0 3 357.885 3.017 20 30 FGEDHN C#CCN(C(=O)c1sc2ccc(OC)cc2c1C)C1CCN(C)CC1 ZINC000886581188 739272420 /nfs/dbraw/zinc/27/24/20/739272420.db2.gz MPFZWBWGQYPVSS-UHFFFAOYSA-N 0 3 356.491 3.388 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888288070 739497172 /nfs/dbraw/zinc/49/71/72/739497172.db2.gz ARNUMUVZYJCJNY-UHFFFAOYSA-N 0 3 352.822 3.329 20 30 FGEDHN N#CC(C(=O)C[C@H]1CCc2sccc2C1=O)C(=O)NC1CCCCC1 ZINC000892491836 740006294 /nfs/dbraw/zinc/00/62/94/740006294.db2.gz NZVOBAKOYBQAQU-DOMZBBRYSA-N 0 3 358.463 3.041 20 30 FGEDHN Cc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000892499352 740008199 /nfs/dbraw/zinc/00/81/99/740008199.db2.gz VUCUSYCFZFJLAK-NSHDSACASA-N 0 3 365.817 3.443 20 30 FGEDHN CCO/C=C/[C@](O)(CNCc1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000895717941 742446414 /nfs/dbraw/zinc/44/64/14/742446414.db2.gz OTIYXSRIEVGTJO-FVNWOWOISA-N 0 3 356.388 3.421 20 30 FGEDHN C[C@H](CCC#N)CN1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000896987385 742627200 /nfs/dbraw/zinc/62/72/00/742627200.db2.gz OLENDISEDOWBCM-MRXNPFEDSA-N 0 3 351.491 3.028 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Nc3nccs3)cc2F)CC1 ZINC000900599571 743134441 /nfs/dbraw/zinc/13/44/41/743134441.db2.gz SALUQGDEOZRSKN-UHFFFAOYSA-N 0 3 360.458 3.406 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1C[C@@]12CCOC2 ZINC000902203165 743721732 /nfs/dbraw/zinc/72/17/32/743721732.db2.gz KYNPZCDYHJMONQ-VQIMIIECSA-N 0 3 362.543 3.011 20 30 FGEDHN CC1/C(=C\c2cc(Cl)ccc2OC[C@H]2CCCO2)C(=O)c2ncnn21 ZINC000905087684 743992337 /nfs/dbraw/zinc/99/23/37/743992337.db2.gz YQCSKQWNULRVGT-LXOBWEIZSA-N 0 3 359.813 3.330 20 30 FGEDHN CC[C@H](C#N)Oc1cccc(CNC[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905116393 743994003 /nfs/dbraw/zinc/99/40/03/743994003.db2.gz DDNLOTYKNZFZGU-OCCSQVGLSA-N 0 3 366.330 3.406 20 30 FGEDHN CC[C@H](C#N)Oc1cc(CNC[C@@](O)(CC)C(F)(F)F)ccc1OC ZINC000905118258 743994009 /nfs/dbraw/zinc/99/40/09/743994009.db2.gz SQYBZINGTDEGAA-CJNGLKHVSA-N 0 3 360.376 3.169 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC(C(=O)N(C)C)CC1 ZINC000915836918 757991189 /nfs/dbraw/zinc/99/11/89/757991189.db2.gz XVTMRGUBUKDTPL-UHFFFAOYSA-N 0 3 358.511 3.072 20 30 FGEDHN S=C(NN=C[C@H]1CC=CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000916307232 758068307 /nfs/dbraw/zinc/06/83/07/758068307.db2.gz YLYBGDSHARWTFS-KRWDZBQOSA-N 0 3 356.539 3.457 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000916918594 758153781 /nfs/dbraw/zinc/15/37/81/758153781.db2.gz UFEKVEPYWXLZGT-AWEZNQCLSA-N 0 3 359.838 3.017 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000917091739 758176605 /nfs/dbraw/zinc/17/66/05/758176605.db2.gz BSMXPTUUPGRJQU-HNNXBMFYSA-N 0 3 363.399 3.103 20 30 FGEDHN Cc1ncc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)s1 ZINC000917152015 758184834 /nfs/dbraw/zinc/18/48/34/758184834.db2.gz UDRSFZUGRSUOBD-ZDUSSCGKSA-N 0 3 356.476 3.370 20 30 FGEDHN C#CCN(C(=O)NC1CC(c2cccc(Cl)c2)C1)C1CCN(C)CC1 ZINC000920536010 758568757 /nfs/dbraw/zinc/56/87/57/758568757.db2.gz YFUZYNARQBGIFO-UHFFFAOYSA-N 0 3 359.901 3.325 20 30 FGEDHN C=CC[C@@H](C)NCc1nc(Br)c(Br)n1CC ZINC000921756658 758786405 /nfs/dbraw/zinc/78/64/05/758786405.db2.gz YMUOYVSJOCUMHI-MRVPVSSYSA-N 0 3 351.086 3.482 20 30 FGEDHN C#CCC1(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000922267883 758882291 /nfs/dbraw/zinc/88/22/91/758882291.db2.gz ACIFKSICHPOPQX-UHFFFAOYSA-N 0 3 357.420 3.037 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)Cc1ccc(Cl)cc1 ZINC000960884978 762741907 /nfs/dbraw/zinc/74/19/07/762741907.db2.gz UCMAVKAXPSTFBS-QRVBRYPASA-N 0 3 362.901 3.354 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2sccc2Cl)C(C)(C)C1 ZINC000996330377 765000687 /nfs/dbraw/zinc/00/06/87/765000687.db2.gz LFCVOBBXIAABPW-IVMMDQJWSA-N 0 3 368.930 3.319 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998131541 765099986 /nfs/dbraw/zinc/09/99/86/765099986.db2.gz UFSJNLWPHNJYNC-OAGGEKHMSA-N 0 3 362.436 3.233 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)s1 ZINC000999210080 765147459 /nfs/dbraw/zinc/14/74/59/765147459.db2.gz TXRMKZNAZBWQHL-PASDCYSWSA-N 0 3 355.507 3.303 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001020710413 765885315 /nfs/dbraw/zinc/88/53/15/765885315.db2.gz CUWJTFRWWAMVGH-AAVRWANBSA-N 0 3 369.328 3.305 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001020726721 765887647 /nfs/dbraw/zinc/88/76/47/765887647.db2.gz UAJJDYHJKNWHKO-OVWQWFNUSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033961090 766229052 /nfs/dbraw/zinc/22/90/52/766229052.db2.gz OTWPKAHCKYFCIO-OTWHNJEPSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001040881514 766329290 /nfs/dbraw/zinc/32/92/90/766329290.db2.gz NPCRUIHWBZTFJC-SQNIBIBYSA-N 0 3 352.494 3.030 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001045938733 766576443 /nfs/dbraw/zinc/57/64/43/766576443.db2.gz KDUMLFGFCZYMHQ-QTFFLSGCSA-N 0 3 366.933 3.425 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001045938732 766576668 /nfs/dbraw/zinc/57/66/68/766576668.db2.gz KDUMLFGFCZYMHQ-LCHBTOBOSA-N 0 3 366.933 3.425 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccsc1 ZINC001049485362 766788071 /nfs/dbraw/zinc/78/80/71/766788071.db2.gz MVUWRPPSJFDPHG-MKXGPGLRSA-N 0 3 360.523 3.295 20 30 FGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001049552317 766792776 /nfs/dbraw/zinc/79/27/76/766792776.db2.gz MYMPOLNLCQDQOQ-WCXIOVBPSA-N 0 3 354.416 3.220 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2Cl)CC1 ZINC001052721339 766915917 /nfs/dbraw/zinc/91/59/17/766915917.db2.gz CUUZCXURYZFFCW-LMMKCTJWSA-N 0 3 362.901 3.402 20 30 FGEDHN COc1ccc2[nH]cc(C3CCN([C@H](C)C(=O)N(C)CCC#N)CC3)c2c1 ZINC000098136782 209205946 /nfs/dbraw/zinc/20/59/46/209205946.db2.gz PRYPHKTWEGPUPZ-OAHLLOKOSA-N 0 3 368.481 3.116 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000594432059 507129784 /nfs/dbraw/zinc/12/97/84/507129784.db2.gz WHKGEULOSPTXCL-CQSZACIVSA-N 0 3 358.269 3.290 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2C[C@@H](O)C2(C)C)c1C#N ZINC000576766585 505589928 /nfs/dbraw/zinc/58/99/28/505589928.db2.gz ZTKVSSMRWOOMNR-QZTJIDSGSA-N 0 3 372.513 3.169 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc(C#N)cs2)N(C)C)cc1 ZINC000579752311 505612847 /nfs/dbraw/zinc/61/28/47/505612847.db2.gz OCUSYNHEYSFGFV-KRWDZBQOSA-N 0 3 357.479 3.440 20 30 FGEDHN N#Cc1ccc(CNC2(Cc3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000576993675 505640951 /nfs/dbraw/zinc/64/09/51/505640951.db2.gz AZCCQZGFMYTGNZ-UHFFFAOYSA-N 0 3 369.396 3.487 20 30 FGEDHN Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000577002023 505643068 /nfs/dbraw/zinc/64/30/68/505643068.db2.gz LTNXVRTVVUVQHK-LBPRGKRZSA-N 0 3 366.331 3.203 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCCN2c3ccccc3C[C@H]2C1 ZINC000577030214 505648016 /nfs/dbraw/zinc/64/80/16/505648016.db2.gz QNJPFHKTTRNYGD-IBGZPJMESA-N 0 3 363.461 3.083 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](c3ncc[nH]3)C1)CCC2 ZINC000080960219 493800210 /nfs/dbraw/zinc/80/02/10/493800210.db2.gz UOTUYVDWKAKSOW-CYBMUJFWSA-N 0 3 369.494 3.040 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc(F)cc2)C(=S)[N-]C[C@@H]2CCCO2)c1 ZINC000028781975 493800763 /nfs/dbraw/zinc/80/07/63/493800763.db2.gz BXNDNJUQUFHXKS-KRWDZBQOSA-O 0 3 373.473 3.129 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000068884404 493888651 /nfs/dbraw/zinc/88/86/51/493888651.db2.gz YGRLWSGKASPLQO-MRXNPFEDSA-N 0 3 360.458 3.024 20 30 FGEDHN C[C@H](NC(C)(C)CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000068913563 493894200 /nfs/dbraw/zinc/89/42/00/493894200.db2.gz WFCIHLRINMIPGY-INIZCTEOSA-N 0 3 371.506 3.107 20 30 FGEDHN C=CCN(CC=C)[C@H](CNc1cc(C(F)(F)F)nc2ncnn21)C(C)C ZINC000051739027 493984225 /nfs/dbraw/zinc/98/42/25/493984225.db2.gz HJUNWZBJDKLECP-CYBMUJFWSA-N 0 3 368.407 3.254 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)CC1 ZINC000069703801 493999315 /nfs/dbraw/zinc/99/93/15/493999315.db2.gz ARDXWWMLSCGHPI-UHFFFAOYSA-N 0 3 356.445 3.008 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000076978606 494002208 /nfs/dbraw/zinc/00/22/08/494002208.db2.gz VSRWBXBRPYMTKY-KBXCAEBGSA-N 0 3 365.905 3.366 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000577257881 505695601 /nfs/dbraw/zinc/69/56/01/505695601.db2.gz AUARUFCGWJUBKW-HNNXBMFYSA-N 0 3 356.470 3.295 20 30 FGEDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C#N)c(C)c2)CC1 ZINC000070791298 494057703 /nfs/dbraw/zinc/05/77/03/494057703.db2.gz MGAVMCRQWCNGBW-UHFFFAOYSA-N 0 3 366.425 3.055 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1cccc(C#N)c1 ZINC000084455330 494072927 /nfs/dbraw/zinc/07/29/27/494072927.db2.gz MEGGGXCXXLQZDU-OAHLLOKOSA-N 0 3 356.495 3.454 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)s1 ZINC000580186937 505699073 /nfs/dbraw/zinc/69/90/73/505699073.db2.gz DIKWSLUAOLVTCV-QFBILLFUSA-N 0 3 366.490 3.036 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)COc2cccc(C#N)c2)CC1 ZINC000053215768 494105106 /nfs/dbraw/zinc/10/51/06/494105106.db2.gz BNJMOUIWNOLLNX-UHFFFAOYSA-N 0 3 363.461 3.026 20 30 FGEDHN CN(CCCOc1cccc(Cl)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000071950518 494111061 /nfs/dbraw/zinc/11/10/61/494111061.db2.gz OAHLMIHXWYHQNH-SFHVURJKSA-N 0 3 374.868 3.352 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000064311966 494113140 /nfs/dbraw/zinc/11/31/40/494113140.db2.gz IJKSIIHIDOJANN-UONOGXRCSA-N 0 3 372.538 3.403 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(C)C3(CCCCC3)C2)c(C#N)c1C ZINC000571294950 505700823 /nfs/dbraw/zinc/70/08/23/505700823.db2.gz KKVDVJXIXIKODY-HNNXBMFYSA-N 0 3 358.486 3.045 20 30 FGEDHN COc1ccc(CNCCC(=O)NC2CCCCC2)cc1OCCCC#N ZINC000064614220 494138187 /nfs/dbraw/zinc/13/81/87/494138187.db2.gz XUADUGOSCLCXQD-UHFFFAOYSA-N 0 3 373.497 3.306 20 30 FGEDHN CCN(CCC#N)C(=O)CN(C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801609 494253214 /nfs/dbraw/zinc/25/32/14/494253214.db2.gz XEPKDMPAEZRRON-UHFFFAOYSA-N 0 3 362.905 3.003 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000065930364 494257173 /nfs/dbraw/zinc/25/71/73/494257173.db2.gz PJXVULFVEUHILU-UHFFFAOYSA-N 0 3 374.444 3.417 20 30 FGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065987105 494265960 /nfs/dbraw/zinc/26/59/60/494265960.db2.gz PFZRAKLZJYTYLA-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(C(=O)N(C)C)cc1)C(C)C ZINC000043486774 494299845 /nfs/dbraw/zinc/29/98/45/494299845.db2.gz BTEQGNJREGFSJS-LJQANCHMSA-N 0 3 372.513 3.209 20 30 FGEDHN N#CCCN(CC1CC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000078533235 494315648 /nfs/dbraw/zinc/31/56/48/494315648.db2.gz QPYTVXIDJFXVHU-UHFFFAOYSA-N 0 3 372.538 3.435 20 30 FGEDHN CN(C)CCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000078565756 494321252 /nfs/dbraw/zinc/32/12/52/494321252.db2.gz USMUFMTWZHOBQD-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000055290646 494324102 /nfs/dbraw/zinc/32/41/02/494324102.db2.gz BUZXBYMSQSTJLN-OAQYLSRUSA-N 0 3 366.461 3.078 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000045432959 494428148 /nfs/dbraw/zinc/42/81/48/494428148.db2.gz TZHMYYAIIHLBQD-OAHLLOKOSA-N 0 3 367.415 3.088 20 30 FGEDHN COc1cc([C@@H](C)NCCOc2ccc(C#N)cc2)cc(OC)c1OC ZINC000090107679 494443232 /nfs/dbraw/zinc/44/32/32/494443232.db2.gz YAZTVWWJAFJWNX-CQSZACIVSA-N 0 3 356.422 3.314 20 30 FGEDHN Cc1nn(-c2ccccc2)cc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067011035 494454636 /nfs/dbraw/zinc/45/46/36/494454636.db2.gz HBFYMBDVYQJBSA-UHFFFAOYSA-N 0 3 372.476 3.206 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2ccccc2)CC1)C(C)C ZINC000079440209 494454758 /nfs/dbraw/zinc/45/47/58/494454758.db2.gz ZYLOZEPPJAHGBN-NRFANRHFSA-N 0 3 370.541 3.217 20 30 FGEDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000577430089 505724879 /nfs/dbraw/zinc/72/48/79/505724879.db2.gz ZQLUOWILAMLXTK-KGLIPLIRSA-N 0 3 360.401 3.022 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000074289013 494511332 /nfs/dbraw/zinc/51/13/32/494511332.db2.gz QTVWQBHUPWTAJQ-KRWDZBQOSA-N 0 3 364.367 3.449 20 30 FGEDHN COc1ccc([C@@H](CNc2nnc(C)c(C)c2C#N)N2CCCC2)cc1 ZINC000024053368 494600383 /nfs/dbraw/zinc/60/03/83/494600383.db2.gz AGOBDTZEUDQHMP-LJQANCHMSA-N 0 3 351.454 3.223 20 30 FGEDHN CN(CCOc1ccc(Cl)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867065 494784715 /nfs/dbraw/zinc/78/47/15/494784715.db2.gz INJMUJFRQJZISJ-SFHVURJKSA-N 0 3 374.868 3.157 20 30 FGEDHN CCN1CCN(c2ccc(NCc3cnc4ccc(C#N)cn34)c(C)c2)CC1 ZINC000092117492 494796180 /nfs/dbraw/zinc/79/61/80/494796180.db2.gz VKERAPUAZHYMPP-UHFFFAOYSA-N 0 3 374.492 3.268 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000047947978 494799121 /nfs/dbraw/zinc/79/91/21/494799121.db2.gz VDIMLCXERGXLBP-FQEVSTJZSA-N 0 3 350.466 3.441 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000132603170 494897802 /nfs/dbraw/zinc/89/78/02/494897802.db2.gz ALTZAEWOUDIJAZ-GOSISDBHSA-N 0 3 357.498 3.486 20 30 FGEDHN N#CC1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000127390338 494937458 /nfs/dbraw/zinc/93/74/58/494937458.db2.gz NDSNSKPMTJRHAV-UHFFFAOYSA-N 0 3 356.470 3.319 20 30 FGEDHN N#CCOc1ccc(CC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cc1 ZINC000110229898 494960028 /nfs/dbraw/zinc/96/00/28/494960028.db2.gz UNWDODYGRIVFMI-IBGZPJMESA-N 0 3 361.445 3.143 20 30 FGEDHN CCN(Cc1ccc(C(=O)Nc2nc3n(c2C#N)CCS3)cc1)C1CC1 ZINC000118224606 494984125 /nfs/dbraw/zinc/98/41/25/494984125.db2.gz FHISKOVBLYYMEO-UHFFFAOYSA-N 0 3 367.478 3.097 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000110709919 495002669 /nfs/dbraw/zinc/00/26/69/495002669.db2.gz IKJDNIJOYXIOTF-QGZVFWFLSA-N 0 3 365.477 3.377 20 30 FGEDHN CCN1CCN(c2ccccc2NCc2ccc(OC)c(C#N)c2)CC1 ZINC000128235403 495065079 /nfs/dbraw/zinc/06/50/79/495065079.db2.gz COCMEONIBAUKKB-UHFFFAOYSA-N 0 3 350.466 3.321 20 30 FGEDHN C[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N1[C@H](C)CC[C@@H]1C ZINC000101633238 495087838 /nfs/dbraw/zinc/08/78/38/495087838.db2.gz WBSVSCDVZGHRMO-ZNMIVQPWSA-N 0 3 352.400 3.434 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCCN1CC ZINC000111882762 495124483 /nfs/dbraw/zinc/12/44/83/495124483.db2.gz XAHSWIAOOVCDOK-GOSISDBHSA-N 0 3 360.458 3.167 20 30 FGEDHN CCC(=O)N1CC[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000134517755 495161541 /nfs/dbraw/zinc/16/15/41/495161541.db2.gz AWZLONWEMXPXND-FQEVSTJZSA-N 0 3 363.461 3.238 20 30 FGEDHN CN(C)c1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c2ccccc2n1 ZINC000123849263 495196722 /nfs/dbraw/zinc/19/67/22/495196722.db2.gz NQKMERCUIGADHZ-MRXNPFEDSA-N 0 3 374.448 3.109 20 30 FGEDHN CSC[C@@H](CCO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000124171577 495245682 /nfs/dbraw/zinc/24/56/82/495245682.db2.gz QKICNHHIULQXHE-LJQANCHMSA-N 0 3 356.491 3.341 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000135353858 495280917 /nfs/dbraw/zinc/28/09/17/495280917.db2.gz LMQFAUISEGYYAK-GOSISDBHSA-N 0 3 374.504 3.134 20 30 FGEDHN CCN(CC)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000104394359 495281689 /nfs/dbraw/zinc/28/16/89/495281689.db2.gz FSUNUAJMACXIEL-FQEVSTJZSA-N 0 3 351.450 3.288 20 30 FGEDHN C#CCCOc1ccc(CNCc2ccccc2CN2CCOCC2)cc1 ZINC000113314895 495295374 /nfs/dbraw/zinc/29/53/74/495295374.db2.gz OUMVWNMIQGTIJW-UHFFFAOYSA-N 0 3 364.489 3.211 20 30 FGEDHN C#CCOc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000113327067 495296476 /nfs/dbraw/zinc/29/64/76/495296476.db2.gz ZFSWXARNOSJHGD-UHFFFAOYSA-N 0 3 364.489 3.197 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000136495991 495384112 /nfs/dbraw/zinc/38/41/12/495384112.db2.gz VQRKZRIERUDLIU-ZDUSSCGKSA-N 0 3 370.396 3.459 20 30 FGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccc(OC)c(OC)c2)CCCCC1 ZINC000114501851 495386968 /nfs/dbraw/zinc/38/69/68/495386968.db2.gz WOMCYDUGOJPEPC-MRXNPFEDSA-N 0 3 360.498 3.186 20 30 FGEDHN C=CCNc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000125086765 495388540 /nfs/dbraw/zinc/38/85/40/495388540.db2.gz LBGVUNZFRQTNTE-UHFFFAOYSA-N 0 3 356.495 3.135 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000106036791 495406298 /nfs/dbraw/zinc/40/62/98/495406298.db2.gz RLPQGXDQUWWVRS-UHFFFAOYSA-N 0 3 356.445 3.090 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC000120592032 495412663 /nfs/dbraw/zinc/41/26/63/495412663.db2.gz BTTKKPFFMLCLTM-CRAIPNDOSA-N 0 3 363.527 3.260 20 30 FGEDHN N#Cc1ccc2ncc(CNc3cccc(CN4CCSCC4)c3)n2c1 ZINC000125284680 495420103 /nfs/dbraw/zinc/42/01/03/495420103.db2.gz SWLNXRKWISWDSI-UHFFFAOYSA-N 0 3 363.490 3.367 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2Cc2ccccc2OC)CC1 ZINC000106275701 495441809 /nfs/dbraw/zinc/44/18/09/495441809.db2.gz NWGLSKOTKHEDIJ-FQEVSTJZSA-N 0 3 371.525 3.452 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(NC(C)=O)ccc2Cl)CC1 ZINC000106322614 495445254 /nfs/dbraw/zinc/44/52/54/495445254.db2.gz QMPCNPNJVWBQJH-UHFFFAOYSA-N 0 3 364.877 3.460 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(-c3ccccc3)on2)CC1 ZINC000106338012 495445957 /nfs/dbraw/zinc/44/59/57/495445957.db2.gz WLMLDMHRKYNLJR-UHFFFAOYSA-N 0 3 354.454 3.181 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(CCCC)cc2)CC1 ZINC000106349517 495447640 /nfs/dbraw/zinc/44/76/40/495447640.db2.gz MEGMGLIYINTCFC-UHFFFAOYSA-N 0 3 357.498 3.124 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)N(C)C1CC1 ZINC000115360897 495494643 /nfs/dbraw/zinc/49/46/43/495494643.db2.gz LPMJTMNAMMOTBO-INIZCTEOSA-N 0 3 363.461 3.350 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115376193 495497222 /nfs/dbraw/zinc/49/72/22/495497222.db2.gz FIWWBUDSAOIRED-LJQANCHMSA-N 0 3 363.461 3.209 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1C)C(C)C ZINC000173715296 495660650 /nfs/dbraw/zinc/66/06/50/495660650.db2.gz JCKPHMITWALDMM-FQEVSTJZSA-N 0 3 367.497 3.004 20 30 FGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179649921 495676409 /nfs/dbraw/zinc/67/64/09/495676409.db2.gz LVRFNLCRXOWKDW-CQSZACIVSA-N 0 3 367.424 3.206 20 30 FGEDHN Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)c(OCCN(C)C)c1 ZINC000154646775 495683445 /nfs/dbraw/zinc/68/34/45/495683445.db2.gz FVZQNMIURBTBNX-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN CC(C)Oc1cccc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000179678204 495687741 /nfs/dbraw/zinc/68/77/41/495687741.db2.gz LHDYEXYMPJTPJH-LPHOPBHVSA-N 0 3 354.450 3.436 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000182750384 495688031 /nfs/dbraw/zinc/68/80/31/495688031.db2.gz JGGRGIJSOGJPCP-FXAWDEMLSA-N 0 3 359.514 3.187 20 30 FGEDHN C[C@H]1CCc2ccccc2[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000568873188 505797502 /nfs/dbraw/zinc/79/75/02/505797502.db2.gz MXEWBVUVUWXBIO-MGPUTAFESA-N 0 3 354.475 3.245 20 30 FGEDHN C=CCOc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1OC ZINC000179819894 495747902 /nfs/dbraw/zinc/74/79/02/495747902.db2.gz GNGQLRVQZIAHIF-UHFFFAOYSA-N 0 3 358.482 3.094 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000568891177 505801439 /nfs/dbraw/zinc/80/14/39/505801439.db2.gz QHXDEQKKJRNRFS-DLBZAZTESA-N 0 3 351.498 3.441 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174094982 495818582 /nfs/dbraw/zinc/81/85/82/495818582.db2.gz VKASZLDEQDZNGC-GFCCVEGCSA-N 0 3 354.376 3.383 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CCC(CC(N)=O)CC2)c1 ZINC000159829501 495819045 /nfs/dbraw/zinc/81/90/45/495819045.db2.gz FYQQOIBQKATHEJ-UHFFFAOYSA-N 0 3 363.461 3.225 20 30 FGEDHN CC[C@H]1Oc2cc([C@H](C)NCCOc3ccc(C#N)cc3)ccc2NC1=O ZINC000180019479 495825478 /nfs/dbraw/zinc/82/54/78/495825478.db2.gz FPEAZFQBRNKZPZ-IFXJQAMLSA-N 0 3 365.433 3.397 20 30 FGEDHN C[C@H](ON=C(N)c1ccccc1CN1CCCCC1)c1nc(C2CC2)no1 ZINC000174131594 495831309 /nfs/dbraw/zinc/83/13/09/495831309.db2.gz FPMUTVIFVZRFBB-AWEZNQCLSA-N 0 3 369.469 3.331 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000176955789 495856135 /nfs/dbraw/zinc/85/61/35/495856135.db2.gz LFAOQQOAQHRSEH-SNVBAGLBSA-N 0 3 357.262 3.456 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000176955394 495855725 /nfs/dbraw/zinc/85/57/25/495855725.db2.gz JVIZROHHXLWHET-LBPRGKRZSA-N 0 3 356.369 3.168 20 30 FGEDHN C=C(C)COCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000151532329 495869217 /nfs/dbraw/zinc/86/92/17/495869217.db2.gz YENMGMXKALIVCW-AZUAARDMSA-N 0 3 359.514 3.274 20 30 FGEDHN COc1ccc(CNCc2ccc(C(=O)N3CCCCC3)cc2)cc1C#N ZINC000174250485 495882748 /nfs/dbraw/zinc/88/27/48/495882748.db2.gz OJNMWDVQFYWHOJ-UHFFFAOYSA-N 0 3 363.461 3.483 20 30 FGEDHN Cn1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180207993 495907782 /nfs/dbraw/zinc/90/77/82/495907782.db2.gz JTUYEFVGKPLMAD-QGZVFWFLSA-N 0 3 366.465 3.122 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnc(-c3ccccc3)nc2)CC1 ZINC000171548153 495921916 /nfs/dbraw/zinc/92/19/16/495921916.db2.gz IUIYQXYQXYGDRF-UHFFFAOYSA-N 0 3 351.454 3.306 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000177149654 495949903 /nfs/dbraw/zinc/94/99/03/495949903.db2.gz DUWKDJGICRWJGL-FQEVSTJZSA-N 0 3 363.461 3.220 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000177163704 495955170 /nfs/dbraw/zinc/95/51/70/495955170.db2.gz KZNLPGMPWZXEKO-GOSISDBHSA-N 0 3 366.427 3.101 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C#N)c1 ZINC000151856769 495971660 /nfs/dbraw/zinc/97/16/60/495971660.db2.gz KVNSMMMXGUSTSA-FQEVSTJZSA-N 0 3 363.461 3.391 20 30 FGEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000151887898 495982998 /nfs/dbraw/zinc/98/29/98/495982998.db2.gz WJUGWUNISHGORX-JKSUJKDBSA-N 0 3 372.490 3.019 20 30 FGEDHN CN(Cc1cc(F)ccc1C#N)C1CCN(CCc2ccccn2)CC1 ZINC000160536634 495986944 /nfs/dbraw/zinc/98/69/44/495986944.db2.gz VBMBZPIWSNXYRY-UHFFFAOYSA-N 0 3 352.457 3.231 20 30 FGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)[nH]1 ZINC000151944907 495999616 /nfs/dbraw/zinc/99/96/16/495999616.db2.gz JPAIRQRATVPLEU-SFHVURJKSA-N 0 3 374.448 3.091 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC000171717636 496004655 /nfs/dbraw/zinc/00/46/55/496004655.db2.gz XUEPBCJGAYKQAG-UHFFFAOYSA-N 0 3 367.371 3.447 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000171718007 496005118 /nfs/dbraw/zinc/00/51/18/496005118.db2.gz QGOWELFBJRRLOY-UHFFFAOYSA-N 0 3 371.403 3.034 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000171718828 496005483 /nfs/dbraw/zinc/00/54/83/496005483.db2.gz AZIOIZIYYMIRBS-UHFFFAOYSA-N 0 3 357.498 3.458 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000171719627 496006211 /nfs/dbraw/zinc/00/62/11/496006211.db2.gz ZYPYJRASNKZZIM-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1ccc(OCC#N)cc1 ZINC000180554732 496042733 /nfs/dbraw/zinc/04/27/33/496042733.db2.gz ZDXZOKNTNOADCF-ZDUSSCGKSA-N 0 3 358.829 3.144 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(C#N)c1 ZINC000155757935 496058782 /nfs/dbraw/zinc/05/87/82/496058782.db2.gz ONCNGBCUUHGKOP-UHFFFAOYSA-N 0 3 350.466 3.268 20 30 FGEDHN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000180630601 496077679 /nfs/dbraw/zinc/07/76/79/496077679.db2.gz QHJLKNVMRULWHK-QGZVFWFLSA-N 0 3 371.481 3.183 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000186688349 496109175 /nfs/dbraw/zinc/10/91/75/496109175.db2.gz GUDKXBRPEMJRKY-UHFFFAOYSA-N 0 3 350.422 3.203 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000152518186 496175424 /nfs/dbraw/zinc/17/54/24/496175424.db2.gz QETSVEHSHGGQJY-VQIMIIECSA-N 0 3 355.482 3.248 20 30 FGEDHN N#Cc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000184023645 496206747 /nfs/dbraw/zinc/20/67/47/496206747.db2.gz ALBNTABTYOKJKL-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN COc1ccc(OC)c([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000161654852 496215040 /nfs/dbraw/zinc/21/50/40/496215040.db2.gz OMVDMOTYPUOAID-HNNXBMFYSA-N 0 3 366.465 3.290 20 30 FGEDHN CCN1CCN(Cc2ccc(NCc3ccc(OC)c(C#N)c3)cc2)CC1 ZINC000156353472 496222968 /nfs/dbraw/zinc/22/29/68/496222968.db2.gz YXGZGCPMERUYFN-UHFFFAOYSA-N 0 3 364.493 3.316 20 30 FGEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000156375860 496228464 /nfs/dbraw/zinc/22/84/64/496228464.db2.gz MPCXVWYIZBKUPD-GOSISDBHSA-N 0 3 357.498 3.201 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000181047821 496252834 /nfs/dbraw/zinc/25/28/34/496252834.db2.gz NNWLXGDVAGASGR-OAHLLOKOSA-N 0 3 371.506 3.247 20 30 FGEDHN COc1ccc(CNC[C@@](C)(O)c2cccs2)cc1OCCCC#N ZINC000153037660 496333348 /nfs/dbraw/zinc/33/33/48/496333348.db2.gz ZIGCDHBYCSXSJV-LJQANCHMSA-N 0 3 360.479 3.437 20 30 FGEDHN C[C@H]1CCC[C@@H](CO)N1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000181381632 496373677 /nfs/dbraw/zinc/37/36/77/496373677.db2.gz FTLWAHJXHFHJJL-KBPBESRZSA-N 0 3 361.511 3.062 20 30 FGEDHN CCCCN(C)C(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000178301595 496403475 /nfs/dbraw/zinc/40/34/75/496403475.db2.gz GWEUCKXLDKNREF-UHFFFAOYSA-N 0 3 357.498 3.298 20 30 FGEDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(C#N)cc1 ZINC000181509428 496425095 /nfs/dbraw/zinc/42/50/95/496425095.db2.gz BDUBASFCFCJONR-ZACQAIPSSA-N 0 3 350.466 3.418 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000175577828 496450054 /nfs/dbraw/zinc/45/00/54/496450054.db2.gz KCOJZXBXNJIXQN-UHFFFAOYSA-N 0 3 364.877 3.223 20 30 FGEDHN C=CCOc1cccc(NC(=O)NC2CCN(CCOC(C)C)CC2)c1 ZINC000175656421 496486540 /nfs/dbraw/zinc/48/65/40/496486540.db2.gz GZBYMQOSWLKGMI-UHFFFAOYSA-N 0 3 361.486 3.262 20 30 FGEDHN CC(C)(C)CN(CCC#N)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000163507686 496525665 /nfs/dbraw/zinc/52/56/65/496525665.db2.gz IDECGXNAPGYZIW-UHFFFAOYSA-N 0 3 371.525 3.293 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCC)[C@@H]2C[C@H](OCC)C2(C)C)CC1 ZINC000178669506 496534255 /nfs/dbraw/zinc/53/42/55/496534255.db2.gz SKMNKELTOJOKSX-MSOLQXFVSA-N 0 3 351.535 3.262 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000175766614 496535999 /nfs/dbraw/zinc/53/59/99/496535999.db2.gz DCCCVVMWHJMBSV-ZWKOTPCHSA-N 0 3 351.535 3.262 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C3(C#N)CC3)cc2)o1 ZINC000181811048 496554499 /nfs/dbraw/zinc/55/44/99/496554499.db2.gz PHYHNQPQDIOZIG-UHFFFAOYSA-N 0 3 351.450 3.347 20 30 FGEDHN CC(C)OC(=O)C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000181831442 496563952 /nfs/dbraw/zinc/56/39/52/496563952.db2.gz AUBUJYIKHYZUHM-UXHICEINSA-N 0 3 352.434 3.264 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)c2cc(C#N)cn2C)c2ccccc2)CC1 ZINC000175847098 496571196 /nfs/dbraw/zinc/57/11/96/496571196.db2.gz MLUCEHYIQGYWMA-FQEVSTJZSA-N 0 3 350.466 3.100 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187800598 496577216 /nfs/dbraw/zinc/57/72/16/496577216.db2.gz AHFBUPAPCGBRMZ-UHFFFAOYSA-N 0 3 365.315 3.457 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000173197134 496588794 /nfs/dbraw/zinc/58/87/94/496588794.db2.gz ARAZMFLQSOOFBW-KRWDZBQOSA-N 0 3 359.539 3.461 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000187966617 496635047 /nfs/dbraw/zinc/63/50/47/496635047.db2.gz KFGIXJZRTNRVRJ-OAQYLSRUSA-N 0 3 359.514 3.304 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)CC1 ZINC000178997601 496640251 /nfs/dbraw/zinc/64/02/51/496640251.db2.gz WXDAGSQLVPRAOZ-UHFFFAOYSA-N 0 3 352.482 3.376 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000158171375 496642974 /nfs/dbraw/zinc/64/29/74/496642974.db2.gz YKPRBZTWJZJTLO-INIZCTEOSA-N 0 3 360.527 3.047 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173350564 496654504 /nfs/dbraw/zinc/65/45/04/496654504.db2.gz DQPPJZSHSMHDIC-UHFFFAOYSA-N 0 3 374.876 3.046 20 30 FGEDHN CN1CCC[C@]2(CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)C2)C1 ZINC000580884242 505860786 /nfs/dbraw/zinc/86/07/86/505860786.db2.gz NEZSLDGPTQWIIM-FPOVZHCZSA-N 0 3 352.482 3.063 20 30 FGEDHN CCN(CC)[C@@H](CNc1ncncc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000580889696 505861762 /nfs/dbraw/zinc/86/17/62/505861762.db2.gz PGSMCLGRNQMICM-INIZCTEOSA-N 0 3 363.387 3.284 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000188404102 496778120 /nfs/dbraw/zinc/77/81/20/496778120.db2.gz DBXQIVFBPPSNJN-UWJYYQICSA-N 0 3 359.473 3.369 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2CCOC[C@@H]2C)c1C#N ZINC000277490611 496789930 /nfs/dbraw/zinc/78/99/30/496789930.db2.gz OSKNPWHMRCAOKI-IFXJQAMLSA-N 0 3 372.513 3.435 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273395661 496793343 /nfs/dbraw/zinc/79/33/43/496793343.db2.gz FXHFJUIEPJLJQL-HBFSDRIKSA-N 0 3 361.461 3.032 20 30 FGEDHN COc1cc(-c2noc(-c3cc(C#N)cs3)n2)ccc1OCCN(C)C ZINC000273707062 496880222 /nfs/dbraw/zinc/88/02/22/496880222.db2.gz HKCBBNZTCNLLFB-UHFFFAOYSA-N 0 3 370.434 3.286 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000264361096 496881842 /nfs/dbraw/zinc/88/18/42/496881842.db2.gz GJVDULZORKXTRV-UHFFFAOYSA-N 0 3 350.532 3.280 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)CCOc2ccccc2Cl)CC1 ZINC000264372073 496885218 /nfs/dbraw/zinc/88/52/18/496885218.db2.gz REOXUDWFTDJLHG-UHFFFAOYSA-N 0 3 351.878 3.011 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCCCOC)CC1 ZINC000264434276 496899990 /nfs/dbraw/zinc/89/99/90/496899990.db2.gz YEAUYSPCEQEGQI-UHFFFAOYSA-N 0 3 361.486 3.264 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000572025276 505872476 /nfs/dbraw/zinc/87/24/76/505872476.db2.gz XRIOMZLNAIEECR-BEFAXECRSA-N 0 3 374.529 3.462 20 30 FGEDHN CN1CC[C@H](NC(=O)c2cccc(SCC#N)c2)[C@H]1c1ccccc1 ZINC000247987452 496938127 /nfs/dbraw/zinc/93/81/27/496938127.db2.gz ILQTWLVMFHKRDH-RBUKOAKNSA-N 0 3 351.475 3.477 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)CCc2ccc(C#N)cc2)c1 ZINC000191949163 496940542 /nfs/dbraw/zinc/94/05/42/496940542.db2.gz MLTUYPKHAWRRGB-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1snnc1C(C)(C)C)C(C)C ZINC000191952693 496941112 /nfs/dbraw/zinc/94/11/12/496941112.db2.gz WZQVQQVRNMECAC-AWEZNQCLSA-N 0 3 350.532 3.264 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000569223271 505882626 /nfs/dbraw/zinc/88/26/26/505882626.db2.gz WEQBSSXMRJLZIM-PXAZEXFGSA-N 0 3 355.829 3.120 20 30 FGEDHN COC(=O)c1ccc(C(=O)C(C(=S)[N-]C(C)C)[n+]2ccc(C)cc2)cc1 ZINC000278338599 497080008 /nfs/dbraw/zinc/08/00/08/497080008.db2.gz UUUNTHCQLBDJLS-UHFFFAOYSA-O 0 3 371.482 3.006 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000274411796 497092040 /nfs/dbraw/zinc/09/20/40/497092040.db2.gz DPBASHBZYXPSLF-UHFFFAOYSA-N 0 3 369.494 3.163 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000278378399 497093515 /nfs/dbraw/zinc/09/35/15/497093515.db2.gz AJXXWEGENKMRRN-UHFFFAOYSA-N 0 3 359.214 3.108 20 30 FGEDHN CCCCO[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000248974668 497143348 /nfs/dbraw/zinc/14/33/48/497143348.db2.gz DQHJXTJRXHVXAX-SLFFLAALSA-N 0 3 369.509 3.233 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000249091895 497164203 /nfs/dbraw/zinc/16/42/03/497164203.db2.gz DIBNFNVDPBHQGM-KVSKMBFKSA-N 0 3 350.528 3.476 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000275016019 497218455 /nfs/dbraw/zinc/21/84/55/497218455.db2.gz SKQAEQKFHPHDDO-UHFFFAOYSA-N 0 3 365.481 3.135 20 30 FGEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278824873 497233682 /nfs/dbraw/zinc/23/36/82/497233682.db2.gz STKZXXLFYGJXJO-RTWAWAEBSA-N 0 3 363.461 3.409 20 30 FGEDHN C=CCC[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccco1 ZINC000278836954 497237925 /nfs/dbraw/zinc/23/79/25/497237925.db2.gz CXWFHLLJNNWHSZ-IBGZPJMESA-N 0 3 355.482 3.368 20 30 FGEDHN CC[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)[C@H](O)C(F)(F)F ZINC000271000066 497243118 /nfs/dbraw/zinc/24/31/18/497243118.db2.gz PSROXKZDAPEECM-CJNGLKHVSA-N 0 3 360.376 3.169 20 30 FGEDHN Cc1cccc2nc(C3CCN(CCC(=O)N(C)CCC#N)CC3)oc21 ZINC000189819396 497255906 /nfs/dbraw/zinc/25/59/06/497255906.db2.gz LZSCHSAAXMXAOY-UHFFFAOYSA-N 0 3 354.454 3.078 20 30 FGEDHN COCC1(O)CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000271165421 497278269 /nfs/dbraw/zinc/27/82/69/497278269.db2.gz FOVVVKBXZHANJQ-UHFFFAOYSA-N 0 3 366.461 3.111 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)C(C)C ZINC000252664101 497316797 /nfs/dbraw/zinc/31/67/97/497316797.db2.gz UVHYVERUBIYFMU-AQNXPRMDSA-N 0 3 373.545 3.174 20 30 FGEDHN C=CCOc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1OC ZINC000261777914 497449349 /nfs/dbraw/zinc/44/93/49/497449349.db2.gz SCQQWMKWATWXST-UHFFFAOYSA-N 0 3 356.397 3.297 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271824648 497461014 /nfs/dbraw/zinc/46/10/14/497461014.db2.gz POVORXBNCIRYGV-PWECECGKSA-N 0 3 358.463 3.034 20 30 FGEDHN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000271871417 497476428 /nfs/dbraw/zinc/47/64/28/497476428.db2.gz MSNOIZSWSLGHIG-KRWDZBQOSA-N 0 3 362.477 3.078 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000193847447 497500822 /nfs/dbraw/zinc/50/08/22/497500822.db2.gz HIVSBSABTCNPAE-MRXNPFEDSA-N 0 3 352.413 3.341 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)CCc1nc(-c2ccccc2)no1 ZINC000578310869 505911140 /nfs/dbraw/zinc/91/11/40/505911140.db2.gz JLVAGAGJAWASNQ-UHFFFAOYSA-N 0 3 362.433 3.299 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 ZINC000272018185 497514051 /nfs/dbraw/zinc/51/40/51/497514051.db2.gz MFNMPUJLCKLPII-OAHLLOKOSA-N 0 3 351.516 3.308 20 30 FGEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(CCC(C)(C)C#N)C(C)C)cc1 ZINC000272023510 497514969 /nfs/dbraw/zinc/51/49/69/497514969.db2.gz NLICYHNYGPSXBT-SFHVURJKSA-N 0 3 361.486 3.035 20 30 FGEDHN C[C@@H](CCc1ccccc1F)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190615351 497546527 /nfs/dbraw/zinc/54/65/27/497546527.db2.gz OTOJQXNGNOOTCA-HRAATJIYSA-N 0 3 365.452 3.409 20 30 FGEDHN COc1ccc(OC)c([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000279816287 497551816 /nfs/dbraw/zinc/55/18/16/497551816.db2.gz XSLOHZHQVKPEJI-PBHICJAKSA-N 0 3 363.417 3.135 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000578320894 505913860 /nfs/dbraw/zinc/91/38/60/505913860.db2.gz JKUKBPAGUARCKN-OAHLLOKOSA-N 0 3 358.829 3.274 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000272240171 497574484 /nfs/dbraw/zinc/57/44/84/497574484.db2.gz GSRBAUUYUYZQJE-KRWDZBQOSA-N 0 3 352.400 3.012 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000279951772 497599701 /nfs/dbraw/zinc/59/97/01/497599701.db2.gz HSBSWHVOOOILOX-ACRUOGEOSA-N 0 3 359.429 3.135 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(Cl)cc3c2OCC3)cc1 ZINC000279995526 497613858 /nfs/dbraw/zinc/61/38/58/497613858.db2.gz KTGNSOYIHZKLMJ-INIZCTEOSA-N 0 3 365.820 3.145 20 30 FGEDHN C=CCC(CC=C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000246086937 497616915 /nfs/dbraw/zinc/61/69/15/497616915.db2.gz IORMBQYRYVKQEG-OAQYLSRUSA-N 0 3 355.526 3.250 20 30 FGEDHN Cc1ccnc(OC2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1 ZINC000280139379 497662152 /nfs/dbraw/zinc/66/21/52/497662152.db2.gz VSJRXIOJIZHAJK-LJQANCHMSA-N 0 3 374.444 3.014 20 30 FGEDHN Cn1cc(CNC(C)(C)[C@H](O)c2ccc(Br)cc2)cc1C#N ZINC000276822864 497664108 /nfs/dbraw/zinc/66/41/08/497664108.db2.gz ZPTJDGOKBMXAQC-MRXNPFEDSA-N 0 3 362.271 3.261 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000280285110 497707960 /nfs/dbraw/zinc/70/79/60/497707960.db2.gz DWWXLFUVZRNDOJ-PBHICJAKSA-N 0 3 367.836 3.478 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)CC1 ZINC000268387262 497738815 /nfs/dbraw/zinc/73/88/15/497738815.db2.gz LCBUPSQRDUMTEN-UHFFFAOYSA-N 0 3 362.543 3.185 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000280417197 497747143 /nfs/dbraw/zinc/74/71/43/497747143.db2.gz LTOPYEQORARNPH-FGZHOGPDSA-N 0 3 373.456 3.306 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000268541582 497777098 /nfs/dbraw/zinc/77/70/98/497777098.db2.gz ZMUWWYNMECFDJJ-YOEHRIQHSA-N 0 3 351.410 3.184 20 30 FGEDHN COc1ccc(CNC[C@H](O)CCc2ccccc2)cc1OCCCC#N ZINC000273078988 497795663 /nfs/dbraw/zinc/79/56/63/497795663.db2.gz IRIHSZCSIPIVIV-HXUWFJFHSA-N 0 3 368.477 3.461 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000280604019 497823066 /nfs/dbraw/zinc/82/30/66/497823066.db2.gz GDJHDGXWXCIXAC-FGZHOGPDSA-N 0 3 373.456 3.213 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000280629362 497832903 /nfs/dbraw/zinc/83/29/03/497832903.db2.gz LVYQGYQTSUHZMS-UHFFFAOYSA-N 0 3 351.450 3.240 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(CC3CCCCC3)CC2)c(C#N)c1C ZINC000299521614 497833619 /nfs/dbraw/zinc/83/36/19/497833619.db2.gz YSMYKDYIVYYOAN-INIZCTEOSA-N 0 3 372.513 3.293 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(O)c(OC)cc1Br ZINC000280677247 497853237 /nfs/dbraw/zinc/85/32/37/497853237.db2.gz MVRJTNKBUATPTM-MEDUHNTESA-N 0 3 356.260 3.234 20 30 FGEDHN Cc1ccc(NC(=O)NC(=O)CN2C[C@H]3CCCCN3C[C@H]2C)c(C)c1 ZINC000329663133 497860484 /nfs/dbraw/zinc/86/04/84/497860484.db2.gz PTAAZXBYKLOLJU-IAGOWNOFSA-N 0 3 358.486 3.364 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292117428 497885011 /nfs/dbraw/zinc/88/50/11/497885011.db2.gz ACIRWIHAJJYPRX-DJJJIMSYSA-N 0 3 358.463 3.299 20 30 FGEDHN C[C@H]1[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000575208280 505942447 /nfs/dbraw/zinc/94/24/47/505942447.db2.gz CPQKENQEIORVIZ-LAUBAEHRSA-N 0 3 362.477 3.363 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000329799105 497905864 /nfs/dbraw/zinc/90/58/64/497905864.db2.gz HDONREILAXNHMO-HDICACEKSA-N 0 3 371.525 3.440 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296090160 497916808 /nfs/dbraw/zinc/91/68/08/497916808.db2.gz HKSUWNUXTIRYJP-OHHBCXFOSA-N 0 3 373.522 3.422 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccccc1 ZINC000581269017 505947992 /nfs/dbraw/zinc/94/79/92/505947992.db2.gz VBCZDSCAESOFSR-OAQYLSRUSA-N 0 3 364.493 3.483 20 30 FGEDHN COCC(=O)N1CCc2c1cccc2NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000329840907 497921973 /nfs/dbraw/zinc/92/19/73/497921973.db2.gz NHROUHHQYONIIF-IBGZPJMESA-N 0 3 371.481 3.217 20 30 FGEDHN Cn1cc(CN[C@@H]2C[C@H](CO)c3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000364386221 497932299 /nfs/dbraw/zinc/93/22/99/497932299.db2.gz QUQZQDOYPGHTHV-DYESRHJHSA-N 0 3 358.445 3.269 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000292310654 497964984 /nfs/dbraw/zinc/96/49/84/497964984.db2.gz OEDRMPOOSGZWSP-KDOFPFPSSA-N 0 3 363.527 3.090 20 30 FGEDHN C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1 ZINC000329954824 497968645 /nfs/dbraw/zinc/96/86/45/497968645.db2.gz NZAVBLKIVFDCRC-UTKZUKDTSA-N 0 3 352.482 3.413 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C#N)cn1 ZINC000578522454 505959805 /nfs/dbraw/zinc/95/98/05/505959805.db2.gz LUSISKZHZTWJCR-UHFFFAOYSA-N 0 3 368.510 3.051 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCc3c[nH]nc32)C1 ZINC000330062021 498007891 /nfs/dbraw/zinc/00/78/91/498007891.db2.gz ALGPMEZFBLUQME-JLSDUUJJSA-N 0 3 353.470 3.126 20 30 FGEDHN CC(C(=O)NCc1ccc(C2CC2)cc1)S(=O)(=O)C1CCOCC1 ZINC000330069365 498011365 /nfs/dbraw/zinc/01/13/65/498011365.db2.gz HCJUHUIHWGINDS-CYBMUJFWSA-N 0 3 351.468 3.003 20 30 FGEDHN Cc1ccccc1[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1CC1 ZINC000330091922 498017897 /nfs/dbraw/zinc/01/78/97/498017897.db2.gz YEMPSKQZPBSDAD-KBXCAEBGSA-N 0 3 365.495 3.385 20 30 FGEDHN CC(=O)N1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000330173577 498049282 /nfs/dbraw/zinc/04/92/82/498049282.db2.gz HMZKLSFVAYZXRL-PMACEKPBSA-N 0 3 357.498 3.285 20 30 FGEDHN CC1CCN(C[C@@H](O)CNC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000330381232 498121459 /nfs/dbraw/zinc/12/14/59/498121459.db2.gz VQBFLOIEFISEBB-JTQLQIEISA-N 0 3 351.299 3.452 20 30 FGEDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330463181 498137345 /nfs/dbraw/zinc/13/73/45/498137345.db2.gz CERYVZBOLRYYJN-MWLCHTKSSA-N 0 3 370.247 3.453 20 30 FGEDHN C[C@@H](CNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)N1CCC(C)CC1 ZINC000330487742 498140971 /nfs/dbraw/zinc/14/09/71/498140971.db2.gz GZNLPAAIMVDFNO-INIZCTEOSA-N 0 3 367.534 3.075 20 30 FGEDHN Cc1nc(C(C)(C)C)sc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000330812935 498198376 /nfs/dbraw/zinc/19/83/76/498198376.db2.gz NSBNKLOQQUDJLE-CQSZACIVSA-N 0 3 353.532 3.146 20 30 FGEDHN COc1ccc(C[C@@](C)(O)CN[C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000289574193 498200211 /nfs/dbraw/zinc/20/02/11/498200211.db2.gz AAOAKTZWRLRJBC-SPLOXXLWSA-N 0 3 372.440 3.359 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292999101 498229480 /nfs/dbraw/zinc/22/94/80/498229480.db2.gz SOSRPRDXVSWINP-DNVCBOLYSA-N 0 3 358.511 3.498 20 30 FGEDHN Cn1cc(CN2CCC[C@@H](c3ccncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000359910198 498230836 /nfs/dbraw/zinc/23/08/36/498230836.db2.gz ZTSZOAVQDPFEIG-GOSISDBHSA-N 0 3 358.449 3.128 20 30 FGEDHN CCN1CCN(C(=O)CC2CCN(CCC3(C#N)CCCCC3)CC2)CC1 ZINC000575770988 506000600 /nfs/dbraw/zinc/00/06/00/506000600.db2.gz FNVYCHLLRKRULZ-UHFFFAOYSA-N 0 3 374.573 3.117 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000285904459 498237188 /nfs/dbraw/zinc/23/71/88/498237188.db2.gz DARSOFLXLADORJ-GOSISDBHSA-N 0 3 357.841 3.253 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(Sc2ccccc2)cc1 ZINC000575797327 506007200 /nfs/dbraw/zinc/00/72/00/506007200.db2.gz TWOVZODJMFWNMX-SFHVURJKSA-N 0 3 355.507 3.134 20 30 FGEDHN Cc1ccc([C@H](c2ccccn2)N(C)CCC(=O)N(C)CCC#N)cc1 ZINC000360810569 498313705 /nfs/dbraw/zinc/31/37/05/498313705.db2.gz MGUPWNDUFKHPFR-OAQYLSRUSA-N 0 3 350.466 3.173 20 30 FGEDHN N#CC1(CCCN[C@H](Cn2ccccc2=O)c2ccccc2)CCOCC1 ZINC000281905690 498313996 /nfs/dbraw/zinc/31/39/96/498313996.db2.gz APNHVNVATRUPMJ-HXUWFJFHSA-N 0 3 365.477 3.280 20 30 FGEDHN N#CC1(CCC[NH+]2CCC(C(=O)Nc3ccccc3[O-])CC2)CCOCC1 ZINC000281910082 498314503 /nfs/dbraw/zinc/31/45/03/498314503.db2.gz GJXIFXFCGQIIAU-UHFFFAOYSA-N 0 3 371.481 3.143 20 30 FGEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000578758945 506014625 /nfs/dbraw/zinc/01/46/25/506014625.db2.gz GTVXXCCNEIQCHZ-WMZOPIPTSA-N 0 3 371.456 3.475 20 30 FGEDHN CC(C)Oc1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000581566992 506016892 /nfs/dbraw/zinc/01/68/92/506016892.db2.gz GNFDSUYWLFQQRU-IBGZPJMESA-N 0 3 354.450 3.069 20 30 FGEDHN CCN1CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289888828 498339217 /nfs/dbraw/zinc/33/92/17/498339217.db2.gz RQAZQIIHONJWON-UHFFFAOYSA-N 0 3 365.437 3.305 20 30 FGEDHN C=CCN1CCC(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)CC1 ZINC000569794429 506018693 /nfs/dbraw/zinc/01/86/93/506018693.db2.gz HVWHPFWZRLRBTJ-UHFFFAOYSA-N 0 3 374.488 3.470 20 30 FGEDHN Cc1ccc(NC(=O)NCC2CCC(C#N)CC2)c(OCCN(C)C)c1 ZINC000282125076 498391167 /nfs/dbraw/zinc/39/11/67/498391167.db2.gz GPVZXPNZNQFROZ-UHFFFAOYSA-N 0 3 358.486 3.387 20 30 FGEDHN C=CCN1CCC(Nc2cc(Nc3ccc(OC)cc3OC)ncn2)CC1 ZINC000302065745 498392527 /nfs/dbraw/zinc/39/25/27/498392527.db2.gz WAMHOBMLNODGAP-UHFFFAOYSA-N 0 3 369.469 3.300 20 30 FGEDHN COc1ccccc1C1CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000365311487 498399255 /nfs/dbraw/zinc/39/92/55/498399255.db2.gz XCHZJYMNRSTUGX-JLAWEPINSA-N 0 3 359.429 3.312 20 30 FGEDHN COc1ccc(CN(C)C[C@H](O)Cc2ccccc2)cc1OCCCC#N ZINC000293519661 498401988 /nfs/dbraw/zinc/40/19/88/498401988.db2.gz AXQVLAFWFXCOQO-HXUWFJFHSA-N 0 3 368.477 3.413 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000286451672 498402227 /nfs/dbraw/zinc/40/22/27/498402227.db2.gz JVUZIIARCAMYHU-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN C=CCn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000290114290 498433235 /nfs/dbraw/zinc/43/32/35/498433235.db2.gz FSXKHRAYJHQDKF-UHFFFAOYSA-N 0 3 374.492 3.238 20 30 FGEDHN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000282240915 498434717 /nfs/dbraw/zinc/43/47/17/498434717.db2.gz KCPAYNQMEKMCDH-IBGZPJMESA-N 0 3 362.481 3.067 20 30 FGEDHN C#CCNc1nc(N[C@H](C)c2ccccn2)nc(N[C@@H](C)c2ccccn2)n1 ZINC000286737250 498493723 /nfs/dbraw/zinc/49/37/23/498493723.db2.gz DZSJHTOZLQIDFS-GASCZTMLSA-N 0 3 374.452 3.053 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CC[C@H](N)c3cc(OC)ccc32)cc1OC ZINC000365490988 498494143 /nfs/dbraw/zinc/49/41/43/498494143.db2.gz KBUOZBRDHPDTSW-KRWDZBQOSA-N 0 3 368.433 3.319 20 30 FGEDHN C[C@H](CN1CCCCCC1)NC(=O)c1cccc(C#N)c1Br ZINC000331905730 498495834 /nfs/dbraw/zinc/49/58/34/498495834.db2.gz AEVAKTKLMRCIQQ-CYBMUJFWSA-N 0 3 364.287 3.315 20 30 FGEDHN C[C@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000282439001 498512613 /nfs/dbraw/zinc/51/26/13/498512613.db2.gz MWZDPKFVCWMLAP-YJBOKZPZSA-N 0 3 367.424 3.028 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000578892145 506046236 /nfs/dbraw/zinc/04/62/36/506046236.db2.gz MTWGANCOUVVXLN-YZGWKJHDSA-N 0 3 361.449 3.042 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000362620769 498525990 /nfs/dbraw/zinc/52/59/90/498525990.db2.gz HUEOBZFSCLNYSH-HXUWFJFHSA-N 0 3 354.498 3.013 20 30 FGEDHN COC[C@H](C)OC[C@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000365713955 498610291 /nfs/dbraw/zinc/61/02/91/498610291.db2.gz UNYGHYHZMGDLJG-GSHUGGBRSA-N 0 3 368.477 3.288 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2CCCN2c2cccnn2)cc1 ZINC000365724576 498614797 /nfs/dbraw/zinc/61/47/97/498614797.db2.gz VHUYLBSWSGUMMS-HKUYNNGSSA-N 0 3 351.454 3.089 20 30 FGEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000282758785 498643033 /nfs/dbraw/zinc/64/30/33/498643033.db2.gz BJMNIXMDYOUKEE-KPQYALRZSA-N 0 3 359.473 3.441 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000294554559 498729209 /nfs/dbraw/zinc/72/92/09/498729209.db2.gz IYEQGQYCQYEZHV-MRXNPFEDSA-N 0 3 357.281 3.184 20 30 FGEDHN C=CCn1c(SCCN(C)Cc2ccccc2)nnc1-c1cnccn1 ZINC000287641770 498822778 /nfs/dbraw/zinc/82/27/78/498822778.db2.gz WARGXUXZTRUREX-UHFFFAOYSA-N 0 3 366.494 3.145 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000579116176 506097856 /nfs/dbraw/zinc/09/78/56/506097856.db2.gz JFCOFTJJGCQGKZ-UWJYYQICSA-N 0 3 362.477 3.387 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000333069782 498888483 /nfs/dbraw/zinc/88/84/83/498888483.db2.gz UTVHYHXGIXOJBD-UHFFFAOYSA-N 0 3 350.466 3.479 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2COc3c2cccc3Cl)cc1 ZINC000366375630 498900176 /nfs/dbraw/zinc/90/01/76/498900176.db2.gz KTONUJUUWNIAAF-WMLDXEAASA-N 0 3 351.793 3.144 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000333112193 498902794 /nfs/dbraw/zinc/90/27/94/498902794.db2.gz XTMMRJQWQCULSZ-KMEYYKJISA-N 0 3 354.498 3.136 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000570193627 506111920 /nfs/dbraw/zinc/11/19/20/506111920.db2.gz XIZFXDNELQZMRL-UHFFFAOYSA-N 0 3 356.514 3.035 20 30 FGEDHN Cn1cc([C@H]2CN(CC#Cc3cccc(Cl)c3)CC23CCOCC3)cn1 ZINC000295176450 498933365 /nfs/dbraw/zinc/93/33/65/498933365.db2.gz QZZURSNGLCHFPS-HXUWFJFHSA-N 0 3 369.896 3.321 20 30 FGEDHN CC(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)c2ccccc21 ZINC000328800559 498943587 /nfs/dbraw/zinc/94/35/87/498943587.db2.gz ILHFXHPDILBWRW-AZUAARDMSA-N 0 3 371.481 3.084 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000283815574 498991112 /nfs/dbraw/zinc/99/11/12/498991112.db2.gz CRONKRFGBAKFIY-UHFFFAOYSA-N 0 3 366.440 3.471 20 30 FGEDHN CC1(C)CN(C2(CNC(=O)[C@@H]3CCn4cncc4C3)CCCCC2)CCO1 ZINC000329008382 499013720 /nfs/dbraw/zinc/01/37/20/499013720.db2.gz YURPBVCWHXZDGO-QGZVFWFLSA-N 0 3 374.529 3.216 20 30 FGEDHN CN(CCC#N)c1ccc(CNCc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000299300868 499017356 /nfs/dbraw/zinc/01/73/56/499017356.db2.gz AGZSJGRLAQFMQG-UHFFFAOYSA-N 0 3 362.477 3.218 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000295467357 499026724 /nfs/dbraw/zinc/02/67/24/499026724.db2.gz OTLYHMASGMRMEH-HRAATJIYSA-N 0 3 352.482 3.197 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000295665061 499075914 /nfs/dbraw/zinc/07/59/14/499075914.db2.gz QVVDOKJKSYMQCF-HNNXBMFYSA-N 0 3 352.438 3.330 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000284274051 499080466 /nfs/dbraw/zinc/08/04/66/499080466.db2.gz NAUIPJAMSBAKGL-YLJYHZDGSA-N 0 3 368.868 3.185 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000329236007 499080443 /nfs/dbraw/zinc/08/04/43/499080443.db2.gz NZCCDXBLXYGBHX-KGLIPLIRSA-N 0 3 372.391 3.127 20 30 FGEDHN Cc1cnn(CC(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000329267501 499087663 /nfs/dbraw/zinc/08/76/63/499087663.db2.gz GKPPRAGSEOLJAN-QGZVFWFLSA-N 0 3 354.454 3.136 20 30 FGEDHN CN1CC[C@@H](NCc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(F)c(F)c1 ZINC000366935566 499119141 /nfs/dbraw/zinc/11/91/41/499119141.db2.gz UBSHBRMSNJYJAE-UYAOXDASSA-N 0 3 367.403 3.019 20 30 FGEDHN CC1CCN(CCc2cccc(NC(=O)C3(S(C)(=O)=O)CC3)c2)CC1 ZINC000329425102 499119740 /nfs/dbraw/zinc/11/97/40/499119740.db2.gz ISUYSKIRJIGGMX-UHFFFAOYSA-N 0 3 364.511 3.126 20 30 FGEDHN CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329494431 499127840 /nfs/dbraw/zinc/12/78/40/499127840.db2.gz DEYPCFLCGSDQMN-IAGOWNOFSA-N 0 3 374.533 3.040 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000329511612 499128613 /nfs/dbraw/zinc/12/86/13/499128613.db2.gz KQPYRIWUFXHBRY-FQEVSTJZSA-N 0 3 368.481 3.309 20 30 FGEDHN CCN(C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000372771187 499173076 /nfs/dbraw/zinc/17/30/76/499173076.db2.gz YTFQZQOAHUAMIS-ICSRJNTNSA-N 0 3 351.450 3.092 20 30 FGEDHN CC1(C)C[C@H](N2CCC(n3cnc(C#N)n3)CC2)c2ccc(F)cc2O1 ZINC000367322156 499181353 /nfs/dbraw/zinc/18/13/53/499181353.db2.gz NZEIRONUUJNSNE-INIZCTEOSA-N 0 3 355.417 3.228 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000573189195 506139203 /nfs/dbraw/zinc/13/92/03/506139203.db2.gz YVYRCSCUZIIOOT-XYZKALLWSA-N 0 3 373.522 3.229 20 30 FGEDHN C[C@@H](O)c1cnc(CNCC2CCN(c3ccccc3C#N)CC2)s1 ZINC000368290503 499282320 /nfs/dbraw/zinc/28/23/20/499282320.db2.gz GONAXATUOFWYIU-CQSZACIVSA-N 0 3 356.495 3.074 20 30 FGEDHN CC(=O)N1CCCCC[C@H]1C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000371161466 499294799 /nfs/dbraw/zinc/29/47/99/499294799.db2.gz WQKYEZNQWIEWJE-VXKWHMMOSA-N 0 3 369.509 3.095 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCC12CCN(C)CC2 ZINC000371411851 499322935 /nfs/dbraw/zinc/32/29/35/499322935.db2.gz CZZHUVCQAUAQCC-UHFFFAOYSA-N 0 3 356.470 3.438 20 30 FGEDHN COCc1nccc([C@H]2CCCN(CCCOc3ccc(C#N)cc3)C2)n1 ZINC000371439023 499326634 /nfs/dbraw/zinc/32/66/34/499326634.db2.gz QNBXKNDXMRHEBB-SFHVURJKSA-N 0 3 366.465 3.143 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3nccn3CC(F)(F)F)CC2)cc1 ZINC000371551222 499341115 /nfs/dbraw/zinc/34/11/15/499341115.db2.gz TUFCCNSFSMQBCH-UHFFFAOYSA-N 0 3 363.387 3.076 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)s1 ZINC000371675018 499353727 /nfs/dbraw/zinc/35/37/27/499353727.db2.gz JROAXQTVDSUTRM-AWEZNQCLSA-N 0 3 353.426 3.122 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000369090649 499364836 /nfs/dbraw/zinc/36/48/36/499364836.db2.gz FZHDNYCPNYATLI-HXUWFJFHSA-N 0 3 357.413 3.262 20 30 FGEDHN Cn1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccn2)n1 ZINC000371796440 499366332 /nfs/dbraw/zinc/36/63/32/499366332.db2.gz QDYCYYKXJPVKEA-UHFFFAOYSA-N 0 3 372.476 3.430 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000369305167 499389615 /nfs/dbraw/zinc/38/96/15/499389615.db2.gz JUGJLKDWSMFBHJ-KBXCAEBGSA-N 0 3 371.400 3.168 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cnc([C@@H]4CCCO4)s3)CC2)nc1 ZINC000372308458 499419063 /nfs/dbraw/zinc/41/90/63/499419063.db2.gz QXTQEJOHSWEVLN-KRWDZBQOSA-N 0 3 369.494 3.020 20 30 FGEDHN C#CCCN1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000369589810 499423243 /nfs/dbraw/zinc/42/32/43/499423243.db2.gz AEKXSKWKAPULBG-UHFFFAOYSA-N 0 3 369.440 3.017 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCCC23CCOCC3)cc1C ZINC000372458333 499437270 /nfs/dbraw/zinc/43/72/70/499437270.db2.gz PBSLIGTWSKSUCS-UHFFFAOYSA-N 0 3 355.482 3.195 20 30 FGEDHN CC(C)(C#N)CCCCN1CCN(CCCCC(C)(C)C#N)CC(O)C1 ZINC000369735705 499439604 /nfs/dbraw/zinc/43/96/04/499439604.db2.gz IQJLGPKUBGEZBA-UHFFFAOYSA-N 0 3 362.562 3.405 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000373261399 499460334 /nfs/dbraw/zinc/46/03/34/499460334.db2.gz PKMCXFBDRLCWQO-NSISKUIASA-N 0 3 357.498 3.095 20 30 FGEDHN N#Cc1ncccc1NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000576394746 506148151 /nfs/dbraw/zinc/14/81/51/506148151.db2.gz WOWDMIXZHBGDRY-UHFFFAOYSA-N 0 3 350.466 3.436 20 30 FGEDHN COc1cc(CN[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1C#N ZINC000375621227 499538530 /nfs/dbraw/zinc/53/85/30/499538530.db2.gz QGGFMBDTVVDRLB-HXUWFJFHSA-N 0 3 367.424 3.289 20 30 FGEDHN C[C@@]1(CNC(=O)COc2ccccc2C#N)CCCN1Cc1ccccc1 ZINC000397978091 499565474 /nfs/dbraw/zinc/56/54/74/499565474.db2.gz GNKZXYCALLXFJE-QFIPXVFZSA-N 0 3 363.461 3.108 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)COc1ccccc1C#N ZINC000398187755 499567340 /nfs/dbraw/zinc/56/73/40/499567340.db2.gz VSXKRBCNUYCPPX-HXUWFJFHSA-N 0 3 365.477 3.210 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1cccnc1 ZINC000376097496 499582778 /nfs/dbraw/zinc/58/27/78/499582778.db2.gz ZCUQFUIZVFHFBM-YJBOKZPZSA-N 0 3 354.841 3.029 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c1 ZINC000376164545 499588159 /nfs/dbraw/zinc/58/81/59/499588159.db2.gz WEIQCZJOEQECGC-HXUWFJFHSA-N 0 3 367.493 3.052 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)CC1 ZINC000409655142 499612370 /nfs/dbraw/zinc/61/23/70/499612370.db2.gz FWEZAGJMQLQZKD-UHFFFAOYSA-N 0 3 362.424 3.281 20 30 FGEDHN N#CCCCn1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)c2ccccc21 ZINC000377053455 499657388 /nfs/dbraw/zinc/65/73/88/499657388.db2.gz SQZDDUDTAOLQKC-QGZVFWFLSA-N 0 3 350.466 3.255 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000377350607 499682201 /nfs/dbraw/zinc/68/22/01/499682201.db2.gz OFGOAZFNTSZUKF-PMACEKPBSA-N 0 3 368.525 3.480 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000377651234 499715677 /nfs/dbraw/zinc/71/56/77/499715677.db2.gz JLDCQBGEYPFYBF-OAQYLSRUSA-N 0 3 361.445 3.181 20 30 FGEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000377937614 499749709 /nfs/dbraw/zinc/74/97/09/499749709.db2.gz KIAHFORBHJKODY-NQIIRXRSSA-N 0 3 352.503 3.471 20 30 FGEDHN CN1CC[C@@H](CNc2nc3cc(Cl)ccn3c2C#N)[C@@H]1c1cccnc1 ZINC000377995577 499754225 /nfs/dbraw/zinc/75/42/25/499754225.db2.gz UTMBEUMLKNXWNB-KSSFIOAISA-N 0 3 366.856 3.359 20 30 FGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000411640981 499772142 /nfs/dbraw/zinc/77/21/42/499772142.db2.gz LERVIKVDBGOFAJ-CQSZACIVSA-N 0 3 353.894 3.115 20 30 FGEDHN CCOC(=O)c1nnc(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)[n-]1 ZINC000411643964 499772420 /nfs/dbraw/zinc/77/24/20/499772420.db2.gz MSJRWCNHROOXKB-UHFFFAOYSA-N 0 3 359.474 3.025 20 30 FGEDHN C=CCOc1c(Br)cc(CNc2nccn2C)cc1OC ZINC000414300671 499775365 /nfs/dbraw/zinc/77/53/65/499775365.db2.gz KZUGTVDBOMYPHE-UHFFFAOYSA-N 0 3 352.232 3.368 20 30 FGEDHN CCCN(CCN1CCCCC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000411729635 499783595 /nfs/dbraw/zinc/78/35/95/499783595.db2.gz WRHYKXDQGPCAHO-MRXNPFEDSA-N 0 3 360.502 3.293 20 30 FGEDHN COc1cc([C@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCC3)ccn1 ZINC000411742273 499785078 /nfs/dbraw/zinc/78/50/78/499785078.db2.gz QPFOHQNJCBPDMG-LBPRGKRZSA-N 0 3 370.478 3.191 20 30 FGEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)ccc1F ZINC000412011296 499812636 /nfs/dbraw/zinc/81/26/36/499812636.db2.gz NQYBAEPIDIQJPI-HXUWFJFHSA-N 0 3 354.425 3.317 20 30 FGEDHN C[C@](Cc1ccccc1)(NCC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000412097844 499823224 /nfs/dbraw/zinc/82/32/24/499823224.db2.gz PMRVFWCENFJFQT-HSZRJFAPSA-N 0 3 374.488 3.390 20 30 FGEDHN N#Cc1cc(F)cc(C2(C(=O)N3CCCN(CC4CCC4)CC3)CC2)c1 ZINC000412318908 499844431 /nfs/dbraw/zinc/84/44/31/499844431.db2.gz RIJNRMTXRJCCLR-UHFFFAOYSA-N 0 3 355.457 3.063 20 30 FGEDHN COc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc(OC)c1 ZINC000573287918 506161980 /nfs/dbraw/zinc/16/19/80/506161980.db2.gz BKIVOGKJIKPHEC-UHFFFAOYSA-N 0 3 353.466 3.139 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](N)c1ccccc1CC ZINC000415017427 499855405 /nfs/dbraw/zinc/85/54/05/499855405.db2.gz FIUOMLCLUFHSGL-KRWDZBQOSA-N 0 3 352.438 3.341 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415167038 499872502 /nfs/dbraw/zinc/87/25/02/499872502.db2.gz SACNDBLPMPYZEO-RISCZKNCSA-N 0 3 354.426 3.057 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415805924 499919797 /nfs/dbraw/zinc/91/97/97/499919797.db2.gz OIQDNDWTUGWADY-NWDGAFQWSA-N 0 3 368.275 3.228 20 30 FGEDHN C[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC000413290407 499937976 /nfs/dbraw/zinc/93/79/76/499937976.db2.gz ADGFWBWIAGYBOP-RSUWNVLCSA-N 0 3 364.287 3.391 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(OCCN(C)C)cc2F)CCOCC1 ZINC000424881638 499962294 /nfs/dbraw/zinc/96/22/94/499962294.db2.gz MUDLGHGJWTWURF-UHFFFAOYSA-N 0 3 350.434 3.078 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000573306678 506167247 /nfs/dbraw/zinc/16/72/47/506167247.db2.gz CAAHFKFGYNNFHW-UHFFFAOYSA-N 0 3 364.449 3.484 20 30 FGEDHN CC(C)(C)OC(=O)C(C)(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000424950463 499974346 /nfs/dbraw/zinc/97/43/46/499974346.db2.gz NCPXNODNRMYFJE-QGZVFWFLSA-N 0 3 369.465 3.115 20 30 FGEDHN CC(C)[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000570444787 506169106 /nfs/dbraw/zinc/16/91/06/506169106.db2.gz MYUWFLQEIPVQCN-HXUWFJFHSA-N 0 3 370.518 3.436 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000570445027 506169434 /nfs/dbraw/zinc/16/94/34/506169434.db2.gz UGGOFQNDJOVZLK-MJGOQNOKSA-N 0 3 372.465 3.397 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(C#N)c(F)c3)C2)c(F)c1 ZINC000421330972 500018919 /nfs/dbraw/zinc/01/89/19/500018919.db2.gz YUVVGOKXYPRSMV-KRWDZBQOSA-N 0 3 352.388 3.467 20 30 FGEDHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429229862 500027738 /nfs/dbraw/zinc/02/77/38/500027738.db2.gz WMHLNQATEPNDEE-IAQYHMDHSA-N 0 3 355.825 3.001 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000429298952 500046645 /nfs/dbraw/zinc/04/66/45/500046645.db2.gz XGJCMWGJRDPGPY-UHFFFAOYSA-N 0 3 362.905 3.003 20 30 FGEDHN N#Cc1ccc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000573328818 506172956 /nfs/dbraw/zinc/17/29/56/506172956.db2.gz ZVKGMIYUDXGZFA-PZJWPPBQSA-N 0 3 362.433 3.173 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c(F)c1 ZINC000413895418 500088781 /nfs/dbraw/zinc/08/87/81/500088781.db2.gz AFHCPGHYBSOREI-UHFFFAOYSA-N 0 3 367.424 3.308 20 30 FGEDHN COc1cccc(COC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425534889 500135930 /nfs/dbraw/zinc/13/59/30/500135930.db2.gz MLRSVSRPRDDQEK-OXJNMPFZSA-N 0 3 354.450 3.137 20 30 FGEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000425603160 500157606 /nfs/dbraw/zinc/15/76/06/500157606.db2.gz INIIAORFGYGPFZ-IBGZPJMESA-N 0 3 362.477 3.147 20 30 FGEDHN N#Cc1cccc(OCCN(CCc2ccccn2)Cc2cccnc2)c1 ZINC000430343351 500228906 /nfs/dbraw/zinc/22/89/06/500228906.db2.gz JACCMMBISQRNNH-UHFFFAOYSA-N 0 3 358.445 3.472 20 30 FGEDHN COc1cc(CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)ccc1C#N ZINC000418193223 500246969 /nfs/dbraw/zinc/24/69/69/500246969.db2.gz BMLZXIMSLFSRML-IBGZPJMESA-N 0 3 366.465 3.189 20 30 FGEDHN C[C@H](CC(=O)Nc1cccc(Br)c1)NCC1(CC#N)CC1 ZINC000430745528 500278780 /nfs/dbraw/zinc/27/87/80/500278780.db2.gz ZPFFIGHDEQJZGF-GFCCVEGCSA-N 0 3 350.260 3.450 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000427034904 500347142 /nfs/dbraw/zinc/34/71/42/500347142.db2.gz QHUJRDQSQDZRCE-SFTDATJTSA-N 0 3 359.473 3.423 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1COc1cccnc1C ZINC000419387679 500360275 /nfs/dbraw/zinc/36/02/75/500360275.db2.gz CPOGSMWYZPRBFG-SFHVURJKSA-N 0 3 367.449 3.193 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc2c(c1)COC2)C(C)C ZINC000431692418 500410223 /nfs/dbraw/zinc/41/02/23/500410223.db2.gz PDZDTPLXHNGLRV-HXUWFJFHSA-N 0 3 357.498 3.215 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000427717093 500423581 /nfs/dbraw/zinc/42/35/81/500423581.db2.gz AEJIGFHHSQVJLX-LJQANCHMSA-N 0 3 355.482 3.178 20 30 FGEDHN CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424070880 500447007 /nfs/dbraw/zinc/44/70/07/500447007.db2.gz SYUSZJTUUGHTGN-LLVKDONJSA-N 0 3 374.666 3.461 20 30 FGEDHN CCOc1ccc(-c2nc(NC(=O)[C@@H](N)CCCC#N)sc2C)cc1 ZINC000424073040 500447823 /nfs/dbraw/zinc/44/78/23/500447823.db2.gz DXBNGAOFGXKPLZ-HNNXBMFYSA-N 0 3 358.467 3.477 20 30 FGEDHN CC(C)(C)c1cc(NC(=O)[C@H](N)CCCC#N)n(Cc2ccccc2)n1 ZINC000424085290 500450245 /nfs/dbraw/zinc/45/02/45/500450245.db2.gz PEXBDYBHPYOKBZ-MRXNPFEDSA-N 0 3 353.470 3.189 20 30 FGEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000424107054 500453826 /nfs/dbraw/zinc/45/38/26/500453826.db2.gz YFDRSASPEFNDTO-BEFAXECRSA-N 0 3 364.449 3.137 20 30 FGEDHN COc1ccc(NC(=O)[C@H](N)CCCC#N)cc1NC(=O)C1CCCCC1 ZINC000424125590 500457607 /nfs/dbraw/zinc/45/76/07/500457607.db2.gz ODCOBZKTCBIVPU-MRXNPFEDSA-N 0 3 372.469 3.174 20 30 FGEDHN Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H](N)CCCC#N)C3)cs1 ZINC000424166804 500462421 /nfs/dbraw/zinc/46/24/21/500462421.db2.gz BJAFCDCMOGPDGF-ZDUSSCGKSA-N 0 3 360.508 3.086 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)c(OC)cc1Br ZINC000424171764 500463148 /nfs/dbraw/zinc/46/31/48/500463148.db2.gz LDUBSKMDTMLVDV-FZMZJTMJSA-N 0 3 356.260 3.147 20 30 FGEDHN COCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424187810 500465327 /nfs/dbraw/zinc/46/53/27/500465327.db2.gz WRQMEGHNIGQYJH-LSDHHAIUSA-N 0 3 358.269 3.208 20 30 FGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428535164 500522440 /nfs/dbraw/zinc/52/24/40/500522440.db2.gz KYLSQOWPEBOFMJ-AWEZNQCLSA-N 0 3 365.296 3.323 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000428546578 500524672 /nfs/dbraw/zinc/52/46/72/500524672.db2.gz LWUZUGVYDIDEBS-INIZCTEOSA-N 0 3 355.825 3.031 20 30 FGEDHN N#CCSc1cccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000428553800 500526588 /nfs/dbraw/zinc/52/65/88/500526588.db2.gz YBXDQODROFVIAK-GOSISDBHSA-N 0 3 367.474 3.121 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](CCO)CC1 ZINC000421025499 500558329 /nfs/dbraw/zinc/55/83/29/500558329.db2.gz YVLFNLKYKFAQFI-IRXDYDNUSA-N 0 3 350.528 3.136 20 30 FGEDHN C/C=C/C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000432914060 500589847 /nfs/dbraw/zinc/58/98/47/500589847.db2.gz CBPYVMGZCNSALW-GECPCNCSSA-N 0 3 355.482 3.010 20 30 FGEDHN C/C=C/C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000432914062 500590497 /nfs/dbraw/zinc/59/04/97/500590497.db2.gz CBPYVMGZCNSALW-HQMUEHRGSA-N 0 3 355.482 3.010 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000433011996 500606364 /nfs/dbraw/zinc/60/63/64/500606364.db2.gz IOADFUAKCVGMBH-GOSISDBHSA-N 0 3 365.433 3.056 20 30 FGEDHN COc1ccccc1CNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433019852 500607675 /nfs/dbraw/zinc/60/76/75/500607675.db2.gz PSPOROHKMNVJHY-LJQANCHMSA-N 0 3 351.450 3.336 20 30 FGEDHN N#CCCC[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000433028275 500609435 /nfs/dbraw/zinc/60/94/35/500609435.db2.gz BKRSMVCBPILAHM-KRWDZBQOSA-N 0 3 351.406 3.379 20 30 FGEDHN Cc1cccc(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1C#N ZINC000443073570 500675174 /nfs/dbraw/zinc/67/51/74/500675174.db2.gz CVRHKLQYRRPSSW-INIZCTEOSA-N 0 3 371.506 3.274 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000433340983 500676096 /nfs/dbraw/zinc/67/60/96/500676096.db2.gz GTPKHFAINSFKAA-SFHVURJKSA-N 0 3 350.418 3.237 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433342381 500676772 /nfs/dbraw/zinc/67/67/72/500676772.db2.gz JNQNGAOKMWJQGK-IBGZPJMESA-N 0 3 365.477 3.475 20 30 FGEDHN Cn1c(CCCNC(=O)C(C#N)CCc2ccccc2)nc2ccccc21 ZINC000433345830 500677224 /nfs/dbraw/zinc/67/72/24/500677224.db2.gz ZDZWFROFARVXRJ-SFHVURJKSA-N 0 3 360.461 3.395 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000433362632 500681251 /nfs/dbraw/zinc/68/12/51/500681251.db2.gz PTPIXDYUTRBEGS-RTWAWAEBSA-N 0 3 363.461 3.362 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000433362629 500681394 /nfs/dbraw/zinc/68/13/94/500681394.db2.gz PTPIXDYUTRBEGS-LEWJYISDSA-N 0 3 363.461 3.362 20 30 FGEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000433372351 500683548 /nfs/dbraw/zinc/68/35/48/500683548.db2.gz ADQYUJFCHOZDMA-GOSISDBHSA-N 0 3 373.460 3.391 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000437930533 500718185 /nfs/dbraw/zinc/71/81/85/500718185.db2.gz JHCUBWAXOZGCSX-MOPGFXCFSA-N 0 3 359.514 3.177 20 30 FGEDHN COc1cccc([C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)N(C)C)c1 ZINC000443410858 500720574 /nfs/dbraw/zinc/72/05/74/500720574.db2.gz PAMZZAVCCCILQY-INIZCTEOSA-N 0 3 364.371 3.117 20 30 FGEDHN COc1cccc([C@@H](CNc2ccc(C(F)(F)F)c(C#N)n2)N(C)C)c1 ZINC000443410859 500720839 /nfs/dbraw/zinc/72/08/39/500720839.db2.gz PAMZZAVCCCILQY-MRXNPFEDSA-N 0 3 364.371 3.117 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000438052858 500731752 /nfs/dbraw/zinc/73/17/52/500731752.db2.gz JSIYDSDUZUFGBB-NJYVYQBISA-N 0 3 371.525 3.412 20 30 FGEDHN Cc1cc(S(=O)(=O)NCC(C)(C)N[C@H](C)c2ccccc2)ccc1C#N ZINC000443906258 500776828 /nfs/dbraw/zinc/77/68/28/500776828.db2.gz IZAGRHAYPNROAZ-MRXNPFEDSA-N 0 3 371.506 3.274 20 30 FGEDHN CC1(C)CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@@H]1C#N ZINC000434031124 500784149 /nfs/dbraw/zinc/78/41/49/500784149.db2.gz LMWICFXQQPPGGD-HXUWFJFHSA-N 0 3 368.525 3.130 20 30 FGEDHN CC(C)[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000438500530 500793795 /nfs/dbraw/zinc/79/37/95/500793795.db2.gz QTZDPSQJAGDIHG-MRXNPFEDSA-N 0 3 352.400 3.151 20 30 FGEDHN C=CCN(CCN(C)c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444258534 500825156 /nfs/dbraw/zinc/82/51/56/500825156.db2.gz TYXANOBXTVHOMZ-SFHVURJKSA-N 0 3 362.481 3.348 20 30 FGEDHN CS[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H]1N(C)C ZINC000444331855 500835464 /nfs/dbraw/zinc/83/54/64/500835464.db2.gz QJELLZSVCJDIAG-OALUTQOASA-N 0 3 370.522 3.063 20 30 FGEDHN N#CC(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccncn1 ZINC000434643749 500871473 /nfs/dbraw/zinc/87/14/73/500871473.db2.gz RPBHGZCGCNWAFV-ZDUSSCGKSA-N 0 3 352.300 3.432 20 30 FGEDHN CC(C)(COc1ncccc1Br)NCc1cccc(C#N)n1 ZINC000602574650 506222013 /nfs/dbraw/zinc/22/20/13/506222013.db2.gz LAKVEHFFHHFMBX-UHFFFAOYSA-N 0 3 361.243 3.058 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C1(CC)CC ZINC000434862282 500903639 /nfs/dbraw/zinc/90/36/39/500903639.db2.gz REOSARPBFNJAHY-HRCADAONSA-N 0 3 361.511 3.298 20 30 FGEDHN C[C@H](NCc1cccc(C#N)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000602574043 506222343 /nfs/dbraw/zinc/22/23/43/506222343.db2.gz FMOOLZOZPZGXEL-KKSFZXQISA-N 0 3 351.450 3.368 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)c3ccc(C#N)cc3)cc2)CC1 ZINC000439923546 500955758 /nfs/dbraw/zinc/95/57/58/500955758.db2.gz NEILBBGWJCSIGG-UHFFFAOYSA-N 0 3 362.477 3.365 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1C#N ZINC000435549669 500990937 /nfs/dbraw/zinc/99/09/37/500990937.db2.gz BNAUJHNQEYAYHU-GOSISDBHSA-N 0 3 356.470 3.438 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)o1 ZINC000449547223 501029851 /nfs/dbraw/zinc/02/98/51/501029851.db2.gz HFIRICHYPYQJQQ-ZDUSSCGKSA-N 0 3 354.360 3.398 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000449550357 501030740 /nfs/dbraw/zinc/03/07/40/501030740.db2.gz CTGAQZIWIMSFIT-SFHLNBCPSA-N 0 3 364.493 3.447 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441044960 501079029 /nfs/dbraw/zinc/07/90/29/501079029.db2.gz XYYODHRZVJWPMU-YWZLYKJASA-N 0 3 352.434 3.270 20 30 FGEDHN COC[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000449779776 501085046 /nfs/dbraw/zinc/08/50/46/501085046.db2.gz UPUSPRLEYGHYOL-KRWDZBQOSA-N 0 3 353.470 3.107 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](CCCc2ccccc2)C1 ZINC000441187094 501100559 /nfs/dbraw/zinc/10/05/59/501100559.db2.gz YLXNXRVSKZCMTQ-OAQYLSRUSA-N 0 3 366.509 3.377 20 30 FGEDHN CSc1ccc([C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000450544596 501149881 /nfs/dbraw/zinc/14/98/81/501149881.db2.gz PVPSHEXPVKBYFH-MRXNPFEDSA-N 0 3 357.439 3.298 20 30 FGEDHN Cc1cccc2c1CCC[C@@H]2NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000596070297 506239558 /nfs/dbraw/zinc/23/95/58/506239558.db2.gz QLPDPFLFZDWANS-FQEVSTJZSA-N 0 3 354.475 3.308 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000455418963 501297622 /nfs/dbraw/zinc/29/76/22/501297622.db2.gz KDQGFMQVPWSMIX-RZUBCFFCSA-N 0 3 369.509 3.028 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O)C(C)C ZINC000457763013 501303873 /nfs/dbraw/zinc/30/38/73/501303873.db2.gz YUYSHSCCGKMMKH-UAFMIMERSA-N 0 3 363.546 3.020 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccsc1)c1ccc(C#N)cc1 ZINC000457810451 501314543 /nfs/dbraw/zinc/31/45/43/501314543.db2.gz AFXRZKPFTABJCE-OAHLLOKOSA-N 0 3 356.495 3.454 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000455547723 501330965 /nfs/dbraw/zinc/33/09/65/501330965.db2.gz RZLLOCPUFURANU-DNVCBOLYSA-N 0 3 366.440 3.160 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000455547721 501331024 /nfs/dbraw/zinc/33/10/24/501331024.db2.gz RZLLOCPUFURANU-BEFAXECRSA-N 0 3 366.440 3.160 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000451604725 501335153 /nfs/dbraw/zinc/33/51/53/501335153.db2.gz IHQJFNJUUSFFEA-DFBGVHRSSA-N 0 3 353.260 3.018 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453466330 501339604 /nfs/dbraw/zinc/33/96/04/501339604.db2.gz OTUROIJRCABNFK-QGZVFWFLSA-N 0 3 357.502 3.153 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000451679038 501349347 /nfs/dbraw/zinc/34/93/47/501349347.db2.gz FYUIOQRXVNFYPW-MJGOQNOKSA-N 0 3 366.465 3.011 20 30 FGEDHN CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@H](C)CCC#N ZINC000602659179 506249187 /nfs/dbraw/zinc/24/91/87/506249187.db2.gz ONZVHYIBFHMPEP-LBPRGKRZSA-N 0 3 372.332 3.389 20 30 FGEDHN N#Cc1ncc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000455758649 501380211 /nfs/dbraw/zinc/38/02/11/501380211.db2.gz QMVAUNCLKSAQTB-CQSZACIVSA-N 0 3 355.829 3.003 20 30 FGEDHN CN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000455797354 501387938 /nfs/dbraw/zinc/38/79/38/501387938.db2.gz VXEWYMSPDLJRAS-INIZCTEOSA-N 0 3 369.856 3.345 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(CC#N)c2)c1 ZINC000455906026 501412070 /nfs/dbraw/zinc/41/20/70/501412070.db2.gz MUJAFXKUWXZIPC-UHFFFAOYSA-N 0 3 366.465 3.357 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000451977309 501412338 /nfs/dbraw/zinc/41/23/38/501412338.db2.gz NGEWUVDPQDICDR-AZUAARDMSA-N 0 3 355.507 3.273 20 30 FGEDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000452034917 501421867 /nfs/dbraw/zinc/42/18/67/501421867.db2.gz MFYJDYAKDJDAER-ZHALLVOQSA-N 0 3 373.497 3.268 20 30 FGEDHN CN(CCC#N)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455948947 501423558 /nfs/dbraw/zinc/42/35/58/501423558.db2.gz VGERRZFCQUBNOQ-UHFFFAOYSA-N 0 3 350.850 3.190 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000458624265 501492006 /nfs/dbraw/zinc/49/20/06/501492006.db2.gz NXYIQIWWEYETTG-UHFFFAOYSA-N 0 3 350.466 3.365 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000456344551 501504444 /nfs/dbraw/zinc/50/44/44/501504444.db2.gz RLRSMVOTDQUFSS-QGZVFWFLSA-N 0 3 365.452 3.220 20 30 FGEDHN C=CC(C)(C)CNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000454410505 501537801 /nfs/dbraw/zinc/53/78/01/501537801.db2.gz UFZOLLFKGKBHLN-UHFFFAOYSA-N 0 3 359.514 3.419 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000459052746 501584057 /nfs/dbraw/zinc/58/40/57/501584057.db2.gz ZHLLKAIDSODQJG-WJMWBRGCSA-N 0 3 371.525 3.415 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459370773 501641202 /nfs/dbraw/zinc/64/12/02/501641202.db2.gz HPPDPVMAMOENGR-UHFFFAOYSA-N 0 3 352.438 3.467 20 30 FGEDHN Cc1ccc(NC(=O)NCc2ccc(C#N)c(F)c2)c(OCCN(C)C)c1 ZINC000454842559 501641472 /nfs/dbraw/zinc/64/14/72/501641472.db2.gz RWFAATDRHBUXSK-UHFFFAOYSA-N 0 3 370.428 3.268 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2cncc(F)c2)c(OC)c1 ZINC000459626147 501689169 /nfs/dbraw/zinc/68/91/69/501689169.db2.gz ZANQPPJDAWHZOM-KSSFIOAISA-N 0 3 360.429 3.048 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000457471561 501705089 /nfs/dbraw/zinc/70/50/89/501705089.db2.gz XEFLFXBCDZPKAV-SFTDATJTSA-N 0 3 356.510 3.447 20 30 FGEDHN CCOC[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459728307 501705352 /nfs/dbraw/zinc/70/53/52/501705352.db2.gz ZIEJVDVSLUWEEF-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000459741035 501706646 /nfs/dbraw/zinc/70/66/46/501706646.db2.gz BRTDDVWSYPVYOG-JCGIZDLHSA-N 0 3 373.522 3.424 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C(C)(C)C)cc1 ZINC000455244303 501715214 /nfs/dbraw/zinc/71/52/14/501715214.db2.gz BGWYGVJSVMMJFL-GFCCVEGCSA-N 0 3 351.472 3.319 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc2cc[nH]c2n1)C(C)C ZINC000460125890 501732932 /nfs/dbraw/zinc/73/29/32/501732932.db2.gz CKCGUZOPUGWKCC-SFHVURJKSA-N 0 3 355.486 3.061 20 30 FGEDHN O=C(CN1CCC[C@H]1C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000477628724 501742953 /nfs/dbraw/zinc/74/29/53/501742953.db2.gz VRAMBRHRUMCSAX-SFHVURJKSA-N 0 3 364.411 3.438 20 30 FGEDHN COCC[C@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000467271438 501754043 /nfs/dbraw/zinc/75/40/43/501754043.db2.gz NVTNRRJUMHYHLA-RTBURBONSA-N 0 3 357.498 3.460 20 30 FGEDHN CN1CCO[C@@H]([C@H](NCCc2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000467435405 501793755 /nfs/dbraw/zinc/79/37/55/501793755.db2.gz YCNLYMITONNIOM-NHCUHLMSSA-N 0 3 369.896 3.416 20 30 FGEDHN CCOC(=O)c1nn(-c2ccccc2)cc1CNCCc1cccc(C#N)c1 ZINC000467546380 501820732 /nfs/dbraw/zinc/82/07/32/501820732.db2.gz NMCMEOXMXBZMLY-UHFFFAOYSA-N 0 3 374.444 3.253 20 30 FGEDHN COc1cc(Cl)ccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470880151 501840719 /nfs/dbraw/zinc/84/07/19/501840719.db2.gz NRTJGVVDEFGDRQ-INIZCTEOSA-N 0 3 353.809 3.219 20 30 FGEDHN COC(=O)[C@@]1(C)CN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H]1C ZINC000602729092 506276849 /nfs/dbraw/zinc/27/68/49/506276849.db2.gz KTOAJKSUDDLABX-YWZLYKJASA-N 0 3 360.454 3.009 20 30 FGEDHN C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000588374304 506281640 /nfs/dbraw/zinc/28/16/40/506281640.db2.gz GOTNVQMTQXNEPY-AUUYWEPGSA-N 0 3 354.429 3.360 20 30 FGEDHN C=CCNC(=O)CN[C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481995897 501939140 /nfs/dbraw/zinc/93/91/40/501939140.db2.gz YHGNNTWZHHLRFB-HNNXBMFYSA-N 0 3 351.288 3.453 20 30 FGEDHN CCc1nc(C#N)cc(N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000596152687 506283142 /nfs/dbraw/zinc/28/31/42/506283142.db2.gz NQFSUSBYXKVXQJ-JOCHJYFZSA-N 0 3 361.493 3.403 20 30 FGEDHN CN(C(=O)c1ccc(NC(=O)CCCCCC#N)cc1)[C@H]1CCCN(C)C1 ZINC000588541719 506284606 /nfs/dbraw/zinc/28/46/06/506284606.db2.gz BBMNALLELWUEIY-IBGZPJMESA-N 0 3 370.497 3.265 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000485853167 501962332 /nfs/dbraw/zinc/96/23/32/501962332.db2.gz ZJPQCVOYQMQKDK-XJKSGUPXSA-N 0 3 353.447 3.258 20 30 FGEDHN C=C(C)COCCNC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000475072111 502044679 /nfs/dbraw/zinc/04/46/79/502044679.db2.gz ZJDZWDBXZVBMPA-QUCCMNQESA-N 0 3 359.514 3.446 20 30 FGEDHN CCCN(CCN(CC)CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000461353826 502079659 /nfs/dbraw/zinc/07/96/59/502079659.db2.gz WROSLAPAESYVDG-UHFFFAOYSA-N 0 3 350.532 3.229 20 30 FGEDHN CC[C@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000461358372 502080816 /nfs/dbraw/zinc/08/08/16/502080816.db2.gz FHUQTHCPCDVVPJ-FQEVSTJZSA-N 0 3 362.477 3.488 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2cccc(OCc3ccccc3C#N)c2)[C@H]1OC ZINC000482499381 502089315 /nfs/dbraw/zinc/08/93/15/502089315.db2.gz NVJLWQAJEJHNDD-BHDDXSALSA-N 0 3 366.461 3.419 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000475272160 502113215 /nfs/dbraw/zinc/11/32/15/502113215.db2.gz XPEUOLDMEOVHGQ-NVXWUHKLSA-N 0 3 357.498 3.076 20 30 FGEDHN N#Cc1ccc(C(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000461436582 502113897 /nfs/dbraw/zinc/11/38/97/502113897.db2.gz CSRYSTUXUYWOCK-IAGOWNOFSA-N 0 3 351.475 3.214 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468878960 502216466 /nfs/dbraw/zinc/21/64/66/502216466.db2.gz GMVBDPHHTFDTQN-HUUCEWRRSA-N 0 3 352.438 3.063 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)cc1 ZINC000475586345 502219979 /nfs/dbraw/zinc/21/99/79/502219979.db2.gz CWQWQHTXNNMCGB-HXUWFJFHSA-N 0 3 365.477 3.331 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCc2c[nH]c3ccccc23)cc1 ZINC000472099966 502231026 /nfs/dbraw/zinc/23/10/26/502231026.db2.gz MFRYXMBANICUFP-IBGZPJMESA-N 0 3 356.429 3.471 20 30 FGEDHN C=CCN(CC(F)(F)F)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000461969430 502257602 /nfs/dbraw/zinc/25/76/02/502257602.db2.gz HLTBJBBCLHLGLN-UHFFFAOYSA-N 0 3 369.431 3.084 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@H]2C#N)CCN1Cc1ccccc1 ZINC000461970574 502258320 /nfs/dbraw/zinc/25/83/20/502258320.db2.gz VYBKNMMANQUBOK-MDNKFWRPSA-N 0 3 354.498 3.373 20 30 FGEDHN CCc1ccc([C@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000469019117 502266650 /nfs/dbraw/zinc/26/66/50/502266650.db2.gz UPFATEPVQQSSMU-KUHUBIRLSA-N 0 3 370.474 3.018 20 30 FGEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475799073 502295240 /nfs/dbraw/zinc/29/52/40/502295240.db2.gz RJKUXHDIICJDHI-QGZVFWFLSA-N 0 3 369.575 3.280 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000487175386 502381149 /nfs/dbraw/zinc/38/11/49/502381149.db2.gz IAKMUKFYCIIEAO-KDOFPFPSSA-N 0 3 365.905 3.366 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C)[C@H](C(C)C)C2)c1 ZINC000488005788 502597543 /nfs/dbraw/zinc/59/75/43/502597543.db2.gz DCZFUFCVUZHPDC-CTNGQTDRSA-N 0 3 370.541 3.211 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000488343465 502689153 /nfs/dbraw/zinc/68/91/53/502689153.db2.gz YHKGUTJTTIJXEP-FQEVSTJZSA-N 0 3 369.440 3.137 20 30 FGEDHN CNC(=O)c1cc(O[C@H]2CCCN(CCCCC(C)(C)C#N)C2)ccn1 ZINC000602859237 506328727 /nfs/dbraw/zinc/32/87/27/506328727.db2.gz FNBYOAUTIQBBHS-KRWDZBQOSA-N 0 3 358.486 3.004 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H]1CCN(C)C1 ZINC000473792221 502708801 /nfs/dbraw/zinc/70/88/01/502708801.db2.gz LTPNUZNDFWZTRS-INIZCTEOSA-N 0 3 358.511 3.395 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463445725 502807683 /nfs/dbraw/zinc/80/76/83/502807683.db2.gz VHENPVDUDWKABD-DENIHFKCSA-N 0 3 358.526 3.117 20 30 FGEDHN C=CCN1CC[C@H](N(C)c2cc(C)nc3ccc(OC(F)F)cc32)C1=O ZINC000513045548 502838060 /nfs/dbraw/zinc/83/80/60/502838060.db2.gz DXXOOJZMMTVGSW-INIZCTEOSA-N 0 3 361.392 3.368 20 30 FGEDHN C=CCN1CC[C@@H](N(C)c2ccnc3cc(OCC)c(OCC)cc32)C1=O ZINC000513060605 502842273 /nfs/dbraw/zinc/84/22/73/502842273.db2.gz YHQPDBAKQFHVAZ-GOSISDBHSA-N 0 3 369.465 3.255 20 30 FGEDHN C=CCc1cc(CNCc2ccc(C[S@@](C)=O)cc2)cc(OC)c1O ZINC000513106355 502853038 /nfs/dbraw/zinc/85/30/38/502853038.db2.gz KXHRBLHRVOOMLD-RUZDIDTESA-N 0 3 359.491 3.298 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000509470208 502911707 /nfs/dbraw/zinc/91/17/07/502911707.db2.gz KPDXRIQNBYFYBG-UHFFFAOYSA-N 0 3 357.523 3.348 20 30 FGEDHN COc1ccccc1O[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000513417223 502933393 /nfs/dbraw/zinc/93/33/93/502933393.db2.gz UUNFLWGFEUVQTD-IBGZPJMESA-N 0 3 352.434 3.489 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000505626738 502953034 /nfs/dbraw/zinc/95/30/34/502953034.db2.gz WNWXFXBJBARBPX-IBGZPJMESA-N 0 3 369.509 3.124 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCc2cccc(OC)c2CC1 ZINC000489585993 502992322 /nfs/dbraw/zinc/99/23/22/502992322.db2.gz OALAXQMLDQMFRU-HXUWFJFHSA-N 0 3 367.489 3.264 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000509947973 503017049 /nfs/dbraw/zinc/01/70/49/503017049.db2.gz GNXMPZSCKLRRPI-LJQANCHMSA-N 0 3 366.461 3.021 20 30 FGEDHN C=C(CNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1)c1ccccc1 ZINC000510012214 503029791 /nfs/dbraw/zinc/02/97/91/503029791.db2.gz MNHSSVHNCAYLTD-UHFFFAOYSA-N 0 3 365.477 3.297 20 30 FGEDHN Cc1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000506335872 503096292 /nfs/dbraw/zinc/09/62/92/503096292.db2.gz AGABGLHHDOPMPX-HZPDHXFCSA-N 0 3 365.481 3.045 20 30 FGEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000514239799 503122496 /nfs/dbraw/zinc/12/24/96/503122496.db2.gz RZZSWMOUFIWNMX-KZNAEPCWSA-N 0 3 373.497 3.116 20 30 FGEDHN Cn1cc(CN2CC[C@H](Oc3ccncc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490433116 503173506 /nfs/dbraw/zinc/17/35/06/503173506.db2.gz NKTBYGRYCVWRQA-FQEVSTJZSA-N 0 3 359.433 3.007 20 30 FGEDHN C=C(C)CS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511262975 503289420 /nfs/dbraw/zinc/28/94/20/503289420.db2.gz VICOYULBQGENGO-LEWJYISDSA-N 0 3 370.518 3.150 20 30 FGEDHN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502940895 503312420 /nfs/dbraw/zinc/31/24/20/503312420.db2.gz RXUXXJVMYMFQRZ-LAUBAEHRSA-N 0 3 372.513 3.170 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)[C@H](C(F)(F)F)C1 ZINC000507757584 503361183 /nfs/dbraw/zinc/36/11/83/503361183.db2.gz JLXCPFWAWOKSAN-MCIONIFRSA-N 0 3 359.436 3.436 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccsc2Br)cc1 ZINC000511998137 503432087 /nfs/dbraw/zinc/43/20/87/503432087.db2.gz FSOLXCGWIVANBO-CQSZACIVSA-N 0 3 374.263 3.381 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1 ZINC000508429841 503492596 /nfs/dbraw/zinc/49/25/96/503492596.db2.gz YXLSUAJCOUJOIY-UHFFFAOYSA-N 0 3 371.481 3.426 20 30 FGEDHN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000508460580 503498941 /nfs/dbraw/zinc/49/89/41/503498941.db2.gz DDUHWOIQQIPEDI-UHFFFAOYSA-N 0 3 369.488 3.259 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1 ZINC000494216997 503504720 /nfs/dbraw/zinc/50/47/20/503504720.db2.gz SCUORJFRZUIPNU-UHFFFAOYSA-N 0 3 356.426 3.168 20 30 FGEDHN C=CC[C@H](CO)CNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494396155 503535281 /nfs/dbraw/zinc/53/52/81/503535281.db2.gz WNBPOLJYCGWGIR-HNNXBMFYSA-N 0 3 353.388 3.224 20 30 FGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000512409789 503541069 /nfs/dbraw/zinc/54/10/69/503541069.db2.gz OZUHUEWVJQOTGN-CTNGQTDRSA-N 0 3 370.541 3.056 20 30 FGEDHN C=CCOc1ccc(CN2CCC(CCN3CCOCC3)CC2)cc1OC ZINC000512473193 503563886 /nfs/dbraw/zinc/56/38/86/503563886.db2.gz BTGJXAMKSWTLKX-UHFFFAOYSA-N 0 3 374.525 3.194 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccco1 ZINC000504419588 503571403 /nfs/dbraw/zinc/57/14/03/503571403.db2.gz PHRMPAIAONJFEZ-MAUKXSAKSA-N 0 3 357.429 3.199 20 30 FGEDHN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508863638 503581742 /nfs/dbraw/zinc/58/17/42/503581742.db2.gz KSSPFXQXARCIKQ-LJQANCHMSA-N 0 3 369.488 3.259 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000508915657 503599557 /nfs/dbraw/zinc/59/95/57/503599557.db2.gz YAJIMPCLUNVXKI-UHFFFAOYSA-N 0 3 351.498 3.442 20 30 FGEDHN C[C@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000512652968 503603665 /nfs/dbraw/zinc/60/36/65/503603665.db2.gz CESHSINRAJQSTG-INIZCTEOSA-N 0 3 370.447 3.309 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508950972 503606456 /nfs/dbraw/zinc/60/64/56/503606456.db2.gz LDQDXUQURHNDHR-LJQANCHMSA-N 0 3 369.513 3.128 20 30 FGEDHN COC(=O)c1cccc(CNC(C)(C)CN(C)Cc2ccccc2)c1C#N ZINC000540217466 503714788 /nfs/dbraw/zinc/71/47/88/503714788.db2.gz QXNOLMGIWKJJFG-UHFFFAOYSA-N 0 3 365.477 3.345 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000517325711 503715821 /nfs/dbraw/zinc/71/58/21/503715821.db2.gz SOYQBBOZUOTGTO-UHFFFAOYSA-N 0 3 353.369 3.170 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000540322472 503735985 /nfs/dbraw/zinc/73/59/85/503735985.db2.gz PJAKWWGYYNGKED-ZJNRKIDTSA-N 0 3 353.413 3.382 20 30 FGEDHN COc1ccc([C@@H](NCC(=O)NCc2cccc(C#N)c2)C(C)C)cc1 ZINC000540343424 503743434 /nfs/dbraw/zinc/74/34/34/503743434.db2.gz RUORBGGAKXYKHY-NRFANRHFSA-N 0 3 351.450 3.170 20 30 FGEDHN COc1c(O)cccc1CNC1CCC(Oc2ncccc2C#N)CC1 ZINC000527364540 503778148 /nfs/dbraw/zinc/77/81/48/503778148.db2.gz OUBVYLOVZWJDHL-UHFFFAOYSA-N 0 3 353.422 3.147 20 30 FGEDHN COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000543479159 503789135 /nfs/dbraw/zinc/78/91/35/503789135.db2.gz RRTYERWVTZZHID-GOSISDBHSA-N 0 3 358.486 3.045 20 30 FGEDHN CO[C@H](C)c1nc(CN2CCCN(CCC(C)(C)C#N)CC2)cs1 ZINC000540688263 503856500 /nfs/dbraw/zinc/85/65/00/503856500.db2.gz VFGWFEWAJXSTJJ-OAHLLOKOSA-N 0 3 350.532 3.298 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CC#N)CC1 ZINC000543778367 503889279 /nfs/dbraw/zinc/88/92/79/503889279.db2.gz DNAZWXSENBBWOT-XLIONFOSSA-N 0 3 354.498 3.232 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)Cc2ccc(C#N)nc2)c2cccs2)CC1 ZINC000527683039 503894561 /nfs/dbraw/zinc/89/45/61/503894561.db2.gz NGADBTAKVSOOBZ-SFHVURJKSA-N 0 3 368.506 3.147 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000527768088 503933965 /nfs/dbraw/zinc/93/39/65/503933965.db2.gz FABQWUQWGXPNBG-JOCHJYFZSA-N 0 3 369.509 3.206 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C1CCOCC1)C(C)C ZINC000537565184 503957030 /nfs/dbraw/zinc/95/70/30/503957030.db2.gz BCCFQOXWEOAXQF-PMACEKPBSA-N 0 3 363.546 3.286 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)Cc3cccc(C#N)c3)c(C)c2)CC1 ZINC000530677097 504049852 /nfs/dbraw/zinc/04/98/52/504049852.db2.gz IBGHQYWIJAKNQB-UHFFFAOYSA-N 0 3 362.477 3.190 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000518769490 504058731 /nfs/dbraw/zinc/05/87/31/504058731.db2.gz XKSKBFLDLZDCRH-UONOGXRCSA-N 0 3 360.531 3.205 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518984445 504111032 /nfs/dbraw/zinc/11/10/32/504111032.db2.gz VYWZAEKUTCUNJQ-SFHVURJKSA-N 0 3 364.449 3.350 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 ZINC000530939623 504136784 /nfs/dbraw/zinc/13/67/84/504136784.db2.gz HGNJSPOLCZMIAX-IAGOWNOFSA-N 0 3 359.489 3.409 20 30 FGEDHN N#Cc1cccc(CN[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000530967460 504145936 /nfs/dbraw/zinc/14/59/36/504145936.db2.gz QINRTEYBKPSASG-INIZCTEOSA-N 0 3 359.351 3.472 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)[C@@H]2CCCOC2)c1C#N ZINC000544471376 504146563 /nfs/dbraw/zinc/14/65/63/504146563.db2.gz ZYMDQMUCMJYYLV-NVXWUHKLSA-N 0 3 372.513 3.435 20 30 FGEDHN N#Cc1ccc(CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C2CC2)cc1 ZINC000541489325 504147972 /nfs/dbraw/zinc/14/79/72/504147972.db2.gz WAGWSRPUICWQAD-NRFANRHFSA-N 0 3 374.488 3.356 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)c1ccccc1 ZINC000519213518 504166396 /nfs/dbraw/zinc/16/63/96/504166396.db2.gz JRPJEGWXZNLXRR-IBGZPJMESA-N 0 3 371.525 3.143 20 30 FGEDHN CS[C@@H]1CN(c2cc(C)c(C#N)c3nc4ccccc4n32)C[C@H]1N(C)C ZINC000534657606 504206582 /nfs/dbraw/zinc/20/65/82/504206582.db2.gz ARDLPAILAHGCAU-QZTJIDSGSA-N 0 3 365.506 3.149 20 30 FGEDHN Cc1ccccc1[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000538392802 504231683 /nfs/dbraw/zinc/23/16/83/504231683.db2.gz ORVXOBVGXMBKNX-HXUWFJFHSA-N 0 3 354.475 3.381 20 30 FGEDHN C=CCOc1cccc(CNC[C@@H](Cc2ccccc2Cl)C(N)=O)c1 ZINC000538517899 504271696 /nfs/dbraw/zinc/27/16/96/504271696.db2.gz BCTWBGIXJURRPV-QGZVFWFLSA-N 0 3 358.869 3.339 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000541895516 504294556 /nfs/dbraw/zinc/29/45/56/504294556.db2.gz DSYUOGIFLLAQQF-GOSISDBHSA-N 0 3 362.433 3.242 20 30 FGEDHN N#Cc1ccccc1OCCN[C@@H](CO)c1ccc(Br)cc1 ZINC000541984164 504323904 /nfs/dbraw/zinc/32/39/04/504323904.db2.gz VIVBNRKHTKVJAO-INIZCTEOSA-N 0 3 361.239 3.023 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528723894 504349646 /nfs/dbraw/zinc/34/96/46/504349646.db2.gz ZJKFIFOSWVSLHO-UHFFFAOYSA-N 0 3 353.422 3.055 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN(CCc1ccc(F)cc1)C1CCCC1 ZINC000531587899 504355857 /nfs/dbraw/zinc/35/58/57/504355857.db2.gz KICPJTIEBQGFGJ-UHFFFAOYSA-N 0 3 370.472 3.269 20 30 FGEDHN Cc1cc(F)ccc1[C@@H](O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778923 504376143 /nfs/dbraw/zinc/37/61/43/504376143.db2.gz PIRBASCCOGOECU-FQEVSTJZSA-N 0 3 354.425 3.335 20 30 FGEDHN C=CCOc1cccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000538876119 504401829 /nfs/dbraw/zinc/40/18/29/504401829.db2.gz RJIUDBMBLSRDCG-HNNXBMFYSA-N 0 3 358.388 3.425 20 30 FGEDHN COc1cccc([C@@H]2C[C@@H](C)CN2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000542254962 504424770 /nfs/dbraw/zinc/42/47/70/504424770.db2.gz PSAQPYMXCZENFC-WVBUVRCRSA-N 0 3 366.461 3.390 20 30 FGEDHN COC(=O)c1ccc(Nc2cccc(CN3CCSCC3)c2)c(C#N)n1 ZINC000520252944 504446231 /nfs/dbraw/zinc/44/62/31/504446231.db2.gz LKEJSYOWAXYKDQ-UHFFFAOYSA-N 0 3 368.462 3.032 20 30 FGEDHN C=CCN1CCC(NC(=O)CCCCC(=O)c2ccc(OC)cc2)CC1 ZINC000545379541 504466354 /nfs/dbraw/zinc/46/63/54/504466354.db2.gz UFZDKTDFWZPIRD-UHFFFAOYSA-N 0 3 358.482 3.205 20 30 FGEDHN CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC000528986964 504483691 /nfs/dbraw/zinc/48/36/91/504483691.db2.gz IMFGKSBIRDANOM-HSALFYBXSA-N 0 3 362.477 3.447 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](CC)c1c(C)nn(C)c1C ZINC000542521301 504524030 /nfs/dbraw/zinc/52/40/30/504524030.db2.gz BPTNAHITBICQIM-RTBURBONSA-N 0 3 357.498 3.246 20 30 FGEDHN C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1cccc(C#N)c1 ZINC000539497932 504590743 /nfs/dbraw/zinc/59/07/43/504590743.db2.gz AAYSVGFMNOTMOB-LPHOPBHVSA-N 0 3 354.523 3.259 20 30 FGEDHN CC(=O)c1ccc2c(c1)CCN(CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000535969856 504596315 /nfs/dbraw/zinc/59/63/15/504596315.db2.gz SYWDMGNIOLMFGU-UHFFFAOYSA-N 0 3 361.445 3.190 20 30 FGEDHN C=CCN(CCOc1ccccc1C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520939386 504613289 /nfs/dbraw/zinc/61/32/89/504613289.db2.gz ULPQZBIBVKQOLF-QGZVFWFLSA-N 0 3 374.448 3.162 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000545901237 504631650 /nfs/dbraw/zinc/63/16/50/504631650.db2.gz BVEFIAUXLSGPOK-LIRRHRJNSA-N 0 3 353.853 3.462 20 30 FGEDHN N#Cc1ccc(NCCCN2CCN(c3ccncc3)CC2)cc1Cl ZINC000521085262 504646937 /nfs/dbraw/zinc/64/69/37/504646937.db2.gz KULUYHYVFVDTDV-UHFFFAOYSA-N 0 3 355.873 3.231 20 30 FGEDHN C[C@@H](C(=O)N1CCC(CC#N)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000542905856 504652936 /nfs/dbraw/zinc/65/29/36/504652936.db2.gz GKTMLWBANNAUIW-SFHVURJKSA-N 0 3 353.510 3.482 20 30 FGEDHN Cc1nc(COc2cccc(C(=O)C(C#N)c3ccncn3)c2)cs1 ZINC000546153793 504727537 /nfs/dbraw/zinc/72/75/37/504727537.db2.gz YSDJLOITQKNJSC-INIZCTEOSA-N 0 3 350.403 3.311 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000532747210 504751079 /nfs/dbraw/zinc/75/10/79/504751079.db2.gz LMXDLYCWJMSLNJ-LWLVAEKPSA-N 0 3 361.530 3.054 20 30 FGEDHN CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)N(C)C)cc1 ZINC000549284109 504782536 /nfs/dbraw/zinc/78/25/36/504782536.db2.gz KIJCZYSWCSIBAT-MRXNPFEDSA-N 0 3 357.439 3.298 20 30 FGEDHN C=C(C)CN1CCC(N=c2[nH]oc3ccc(Br)cc32)CC1 ZINC000565131683 504803892 /nfs/dbraw/zinc/80/38/92/504803892.db2.gz OAUJRJZIDCIZPD-UHFFFAOYSA-N 0 3 350.260 3.465 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000553010795 504804313 /nfs/dbraw/zinc/80/43/13/504804313.db2.gz ZYBRPEUCRBKROA-OALUTQOASA-N 0 3 366.461 3.240 20 30 FGEDHN N#Cc1ccnc(NCc2ccc(OCCN3CCCC3)cc2)c1Cl ZINC000553054722 504814880 /nfs/dbraw/zinc/81/48/80/504814880.db2.gz PTZHNWUUCDZXCR-UHFFFAOYSA-N 0 3 356.857 3.115 20 30 FGEDHN Cc1cc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)ccc1C#N ZINC000559358908 504846635 /nfs/dbraw/zinc/84/66/35/504846635.db2.gz CHAUPHDYIUWVFP-UHFFFAOYSA-N 0 3 362.882 3.474 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)[C@H]1n1cccn1 ZINC000559360418 504847326 /nfs/dbraw/zinc/84/73/26/504847326.db2.gz DCKMTQFYVWKWAC-VAMGGRTRSA-N 0 3 354.454 3.074 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1C[C@H](C)O)C(C)C ZINC000562622408 504883640 /nfs/dbraw/zinc/88/36/40/504883640.db2.gz MUMSCNAQPMEDEQ-IPMKNSEASA-N 0 3 351.535 3.020 20 30 FGEDHN Cc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)N2CCCC2)o1 ZINC000553379267 504898193 /nfs/dbraw/zinc/89/81/93/504898193.db2.gz TZTMADWPIDAFRX-MRXNPFEDSA-N 0 3 355.398 3.199 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000553504137 504933667 /nfs/dbraw/zinc/93/36/67/504933667.db2.gz JAAGRDUYTTWPEC-UKRRQHHQSA-N 0 3 370.522 3.251 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1Cl ZINC000565681027 504956817 /nfs/dbraw/zinc/95/68/17/504956817.db2.gz SSZXZPJXHMNNEA-GOSISDBHSA-N 0 3 374.868 3.100 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)C1CC1 ZINC000560118909 504997531 /nfs/dbraw/zinc/99/75/31/504997531.db2.gz HDSGJQGBMVJICN-FQEVSTJZSA-N 0 3 351.425 3.338 20 30 FGEDHN N#Cc1c2c(cnc1NC[C@H]1CN(Cc3ccccc3)CCCO1)CCC2 ZINC000563019788 505022970 /nfs/dbraw/zinc/02/29/70/505022970.db2.gz ZVNPLPLEMZZUPY-IBGZPJMESA-N 0 3 362.477 3.145 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)ccc1OC ZINC000550327027 505023271 /nfs/dbraw/zinc/02/32/71/505023271.db2.gz RAXOAULHMIHERV-DUXKGJEZSA-N 0 3 371.481 3.355 20 30 FGEDHN CN(CCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)Cc1ccncc1 ZINC000566014432 505055001 /nfs/dbraw/zinc/05/50/01/505055001.db2.gz FJPMDJDFGYGTJE-LEWJYISDSA-N 0 3 362.477 3.037 20 30 FGEDHN CNC(=O)[C@H](CN[C@@H](C)c1ccc(C#N)cc1)Cc1ccc(F)cc1C ZINC000563126099 505055358 /nfs/dbraw/zinc/05/53/58/505055358.db2.gz RHDBPLAOBSSVHY-KXBFYZLASA-N 0 3 353.441 3.261 20 30 FGEDHN C=C(C)CN1CCC(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560529183 505116392 /nfs/dbraw/zinc/11/63/92/505116392.db2.gz KHTADKYCNCUHJJ-LJQANCHMSA-N 0 3 369.469 3.048 20 30 FGEDHN CCN(CCN1CCCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000554275261 505132040 /nfs/dbraw/zinc/13/20/40/505132040.db2.gz QSLPSXWWLJEYAM-UHFFFAOYSA-N 0 3 353.470 3.306 20 30 FGEDHN C[C@H](NCCn1cnc(C#N)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000560582528 505132877 /nfs/dbraw/zinc/13/28/77/505132877.db2.gz SXJLDYOPIGKXOF-LBPRGKRZSA-N 0 3 368.422 3.137 20 30 FGEDHN C[C@@H](NCCn1cnc(C#N)n1)c1ccc2ccccc2c1OC(F)F ZINC000560584988 505134341 /nfs/dbraw/zinc/13/43/41/505134341.db2.gz OXHAZSGHEXCGJK-GFCCVEGCSA-N 0 3 357.364 3.255 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000566326875 505144439 /nfs/dbraw/zinc/14/44/39/505144439.db2.gz IJQXBXOOUWHANF-KRWDZBQOSA-N 0 3 351.498 3.442 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000557740142 505218666 /nfs/dbraw/zinc/21/86/66/505218666.db2.gz OIOHWSAKIVAHIO-UHFFFAOYSA-N 0 3 353.466 3.312 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC(F)(c3cccnc3)CC2)c1 ZINC000551463577 505231756 /nfs/dbraw/zinc/23/17/56/505231756.db2.gz MZWRKRQHBDDGNX-UHFFFAOYSA-N 0 3 352.413 3.243 20 30 FGEDHN CCSc1cccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000566674017 505240484 /nfs/dbraw/zinc/24/04/84/505240484.db2.gz MOIQUQBYCGCDKS-GOSISDBHSA-N 0 3 356.491 3.394 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CNC[C@]1(C)OCCc2sccc21 ZINC000563953303 505286688 /nfs/dbraw/zinc/28/66/88/505286688.db2.gz HLQOLLPTMFPLRC-UWJYYQICSA-N 0 3 373.518 3.294 20 30 FGEDHN C=CCn1c(-c2cccc3cccnc32)nnc1N1CCCN(CC)CC1 ZINC000554932599 505302283 /nfs/dbraw/zinc/30/22/83/505302283.db2.gz KREZVMOBNIZSPZ-UHFFFAOYSA-N 0 3 362.481 3.211 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)c2ccc(F)c(C#N)c2)N(C)C)cc1 ZINC000558089565 505305160 /nfs/dbraw/zinc/30/51/60/505305160.db2.gz UZRNKCABLGJDTP-SFHVURJKSA-N 0 3 357.454 3.452 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3CCN(c4ccc(Cl)cc4)C3)n2c1 ZINC000551805099 505313123 /nfs/dbraw/zinc/31/31/23/505313123.db2.gz AAWUQMTUEFMWMR-MRXNPFEDSA-N 0 3 351.841 3.228 20 30 FGEDHN N#C[C@@H](C(=O)c1cccc(CN2CCCC2)c1)c1nnc2n1CCCCC2 ZINC000558190801 505331306 /nfs/dbraw/zinc/33/13/06/505331306.db2.gz LVCLKNRBUCWVQT-SFHVURJKSA-N 0 3 363.465 3.090 20 30 FGEDHN C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000561532085 505369784 /nfs/dbraw/zinc/36/97/84/505369784.db2.gz JXTAJSKIHSACBL-INIZCTEOSA-N 0 3 357.523 3.124 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555230411 505385123 /nfs/dbraw/zinc/38/51/23/505385123.db2.gz AFSGSLOZSRVDHI-IFXJQAMLSA-N 0 3 371.868 3.398 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000567179085 505386839 /nfs/dbraw/zinc/38/68/39/505386839.db2.gz YLGBIRKIGWIQCJ-NJYVYQBISA-N 0 3 359.473 3.354 20 30 FGEDHN CC(C)(C(=O)N1CCN(C2CCCCC2)CC1)c1cc(F)cc(C#N)c1 ZINC000552095769 505398070 /nfs/dbraw/zinc/39/80/70/505398070.db2.gz FOWODUAJMJAICL-UHFFFAOYSA-N 0 3 357.473 3.452 20 30 FGEDHN N#Cc1cscc1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000552372074 505476380 /nfs/dbraw/zinc/47/63/80/505476380.db2.gz OHNXDEKACUJVNT-FQEVSTJZSA-N 0 3 351.475 3.358 20 30 FGEDHN CC[C@@H](CNC[C@H](O)COc1ccc(C#N)cc1)Oc1ccccc1C ZINC000567682950 505534706 /nfs/dbraw/zinc/53/47/06/505534706.db2.gz CUVDRLJSCGFFJO-OALUTQOASA-N 0 3 354.450 3.054 20 30 FGEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Sc1ccccc1 ZINC000564847637 505537512 /nfs/dbraw/zinc/53/75/12/505537512.db2.gz AKWCIWJUEVAQQN-HNNXBMFYSA-N 0 3 360.504 3.102 20 30 FGEDHN C[C@@H](CNC[C@H](O)COc1ccc(CC#N)cc1)Oc1ccccc1Cl ZINC000564854872 505540854 /nfs/dbraw/zinc/54/08/54/505540854.db2.gz PJILVEINUDBAAE-RDJZCZTQSA-N 0 3 374.868 3.203 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000564859509 505541013 /nfs/dbraw/zinc/54/10/13/505541013.db2.gz FSMWHMYYLVLKAD-RXVVDRJESA-N 0 3 354.425 3.242 20 30 FGEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccccc1C#N ZINC000599262913 506390521 /nfs/dbraw/zinc/39/05/21/506390521.db2.gz BXQRJDBLADSVLS-KRWDZBQOSA-N 0 3 364.367 3.449 20 30 FGEDHN COc1cc(CN(C)C[C@H](O)COc2ccccc2C#N)ccc1SC ZINC000599274969 506394368 /nfs/dbraw/zinc/39/43/68/506394368.db2.gz IRDPUZRYJDDMFK-KRWDZBQOSA-N 0 3 372.490 3.160 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccc1OC(F)F ZINC000599347224 506421268 /nfs/dbraw/zinc/42/12/68/506421268.db2.gz FFHQKTJHIBNAQQ-DZGCQCFKSA-N 0 3 362.376 3.250 20 30 FGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000599351090 506423064 /nfs/dbraw/zinc/42/30/64/506423064.db2.gz XCNPKTFEQHANMZ-APWZRJJASA-N 0 3 351.450 3.366 20 30 FGEDHN CCC[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000599353847 506424517 /nfs/dbraw/zinc/42/45/17/506424517.db2.gz KQJZFCZQWWZBCZ-QAPCUYQASA-N 0 3 352.425 3.467 20 30 FGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(OC(F)F)c1 ZINC000599351511 506424779 /nfs/dbraw/zinc/42/47/79/506424779.db2.gz ZBLLCHTZPGCPEO-ZFWWWQNUSA-N 0 3 354.397 3.010 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000603128572 506430163 /nfs/dbraw/zinc/43/01/63/506430163.db2.gz JPXGLTJYDBAHIC-OXQOHEQNSA-N 0 3 363.465 3.470 20 30 FGEDHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599385939 506436175 /nfs/dbraw/zinc/43/61/75/506436175.db2.gz JQNVSFVUWTYLTD-AAEUAGOBSA-N 0 3 353.260 3.163 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000599390540 506438430 /nfs/dbraw/zinc/43/84/30/506438430.db2.gz MWKONUKJMSCWFW-BXUZGUMPSA-N 0 3 362.779 3.037 20 30 FGEDHN CN(C(=O)NCCc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000596671989 506524808 /nfs/dbraw/zinc/52/48/08/506524808.db2.gz JMNKTRQKIHBTBE-NRFANRHFSA-N 0 3 362.477 3.017 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000599657764 506558364 /nfs/dbraw/zinc/55/83/64/506558364.db2.gz LLZLMMUQLMFOFD-UTKZUKDTSA-N 0 3 358.530 3.013 20 30 FGEDHN CC(C)(C)C(=O)N1CCC[C@@H](CN2CCc3c(CC#N)cccc3C2)C1 ZINC000599677653 506575084 /nfs/dbraw/zinc/57/50/84/506575084.db2.gz IUXSREXRQQRVFX-KRWDZBQOSA-N 0 3 353.510 3.395 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C#N)CCCC1 ZINC000593370483 506580906 /nfs/dbraw/zinc/58/09/06/506580906.db2.gz LUBMQUCNVIKZEV-MJGOQNOKSA-N 0 3 354.498 3.280 20 30 FGEDHN CN(C(=O)NCC1(C#N)CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000593428030 506615207 /nfs/dbraw/zinc/61/52/07/506615207.db2.gz WQMRQSRPHUPVMT-UHFFFAOYSA-N 0 3 354.498 3.376 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1(C#N)CCCC1 ZINC000593427553 506615243 /nfs/dbraw/zinc/61/52/43/506615243.db2.gz OGHIVIVNIPBPTB-UHFFFAOYSA-N 0 3 364.440 3.122 20 30 FGEDHN Cc1csc([C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000596828011 506621905 /nfs/dbraw/zinc/62/19/05/506621905.db2.gz HCRUFWDVLBFKNS-OAHLLOKOSA-N 0 3 356.495 3.017 20 30 FGEDHN C[C@H]1Cc2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2O1 ZINC000596828932 506623116 /nfs/dbraw/zinc/62/31/16/506623116.db2.gz OIQKTYKRPSGVSL-INIZCTEOSA-N 0 3 363.461 3.086 20 30 FGEDHN COc1ccc([C@H](CNc2nc3c(cc2C#N)CCC3)N(C)C)cc1OC ZINC000603837184 506628760 /nfs/dbraw/zinc/62/87/60/506628760.db2.gz CDXBUGMGQNSRNV-SFHVURJKSA-N 0 3 366.465 3.174 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000589743983 506641073 /nfs/dbraw/zinc/64/10/73/506641073.db2.gz VNUBOACKZGQFIU-XCLNPWKQSA-N 0 3 355.482 3.148 20 30 FGEDHN N#Cc1nc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1Cl ZINC000593496631 506653088 /nfs/dbraw/zinc/65/30/88/506653088.db2.gz UQEBQXPMCXLSGV-RTBURBONSA-N 0 3 368.868 3.086 20 30 FGEDHN Cc1ccc(OC[C@@H](O)CN(C)CCOCc2ccc(C#N)cc2)c(C)c1 ZINC000583226575 506659635 /nfs/dbraw/zinc/65/96/35/506659635.db2.gz KDIUTLQDHBWADF-NRFANRHFSA-N 0 3 368.477 3.063 20 30 FGEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593525574 506670799 /nfs/dbraw/zinc/67/07/99/506670799.db2.gz ICLKLWSCIMCJCW-INIZCTEOSA-N 0 3 363.527 3.031 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(F)(F)C(C)(C)C ZINC000596940612 506689758 /nfs/dbraw/zinc/68/97/58/506689758.db2.gz YDSKNHHWXOOJRJ-UHFFFAOYSA-N 0 3 366.456 3.313 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000596972844 506705954 /nfs/dbraw/zinc/70/59/54/506705954.db2.gz LFSVTFBPLBDIHK-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000597001077 506725277 /nfs/dbraw/zinc/72/52/77/506725277.db2.gz PPNFYGKUDDDVJS-UEXGIBASSA-N 0 3 353.510 3.315 20 30 FGEDHN COc1ccc(C[C@@H]2CCCCN2Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000593676962 506725541 /nfs/dbraw/zinc/72/55/41/506725541.db2.gz RKHVIQBRJOHDBO-IBGZPJMESA-N 0 3 361.449 3.207 20 30 FGEDHN COc1ccc(OC)c(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593688885 506733270 /nfs/dbraw/zinc/73/32/70/506733270.db2.gz WUZAWJAUVUWJKF-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN COC(=O)c1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)oc1C ZINC000593703416 506741460 /nfs/dbraw/zinc/74/14/60/506741460.db2.gz USKUYJCQUIOHKU-UHFFFAOYSA-N 0 3 367.449 3.001 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1 ZINC000609165089 506800271 /nfs/dbraw/zinc/80/02/71/506800271.db2.gz CDEGAUWCKRHZFL-UHFFFAOYSA-N 0 3 362.433 3.358 20 30 FGEDHN C[C@@]1(CNC(=O)C(C#N)CCc2ccccc2)COc2ccccc2O1 ZINC000600173442 506821158 /nfs/dbraw/zinc/82/11/58/506821158.db2.gz PKYATPUYDJYKRH-LAUBAEHRSA-N 0 3 350.418 3.105 20 30 FGEDHN N#CCCn1cc(CN2CC[C@H]3CC[C@@H](C2)S3)c(-c2ccncc2)n1 ZINC000600187980 506831305 /nfs/dbraw/zinc/83/13/05/506831305.db2.gz BQBOGPDZKJKNAZ-MSOLQXFVSA-N 0 3 353.495 3.329 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1OCc2ccccc21 ZINC000593972402 506859040 /nfs/dbraw/zinc/85/90/40/506859040.db2.gz BZGPXLIXCMSQDC-NRFANRHFSA-N 0 3 363.461 3.110 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000609359095 506866092 /nfs/dbraw/zinc/86/60/92/506866092.db2.gz NMNYROFSAVYEQJ-LJQANCHMSA-N 0 3 372.538 3.061 20 30 FGEDHN CC[C@@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)[C@H]1CCCCO1 ZINC000594040714 506901427 /nfs/dbraw/zinc/90/14/27/506901427.db2.gz AZDMHZJCBAXUJJ-UYAOXDASSA-N 0 3 357.498 3.487 20 30 FGEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccnc1 ZINC000609660997 506964829 /nfs/dbraw/zinc/96/48/29/506964829.db2.gz ASMFYGXZFFIZPS-KRWDZBQOSA-N 0 3 350.466 3.037 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)CC3(N4CCOCC4)CCCC3)CCC2)cc1 ZINC000594143577 506970679 /nfs/dbraw/zinc/97/06/79/506970679.db2.gz FZVXKTUWLGHAAH-UHFFFAOYSA-N 0 3 367.493 3.089 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594198943 507003016 /nfs/dbraw/zinc/00/30/16/507003016.db2.gz WBMSUTDINZZUQT-PMACEKPBSA-N 0 3 355.482 3.240 20 30 FGEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCCCC2)O1 ZINC000594204476 507005498 /nfs/dbraw/zinc/00/54/98/507005498.db2.gz QSXQVAWTIDXELY-LPHOPBHVSA-N 0 3 351.450 3.191 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC1CCN(CCc3ccccc3)CC1)C2 ZINC000594216822 507016935 /nfs/dbraw/zinc/01/69/35/507016935.db2.gz YKJUKVPTPFHRBC-UHFFFAOYSA-N 0 3 374.488 3.291 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594238870 507035758 /nfs/dbraw/zinc/03/57/58/507035758.db2.gz JRBYTGCHHGPLMF-KKSFZXQISA-N 0 3 360.461 3.104 20 30 FGEDHN CC(C)N1C[C@H](NCc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000610010003 507070786 /nfs/dbraw/zinc/07/07/86/507070786.db2.gz ORFVPMNOXWUIPS-HXUWFJFHSA-N 0 3 363.461 3.236 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000600722880 507081308 /nfs/dbraw/zinc/08/13/08/507081308.db2.gz KMPQPUQWWZIXFC-IBGZPJMESA-N 0 3 364.449 3.475 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000600720650 507081593 /nfs/dbraw/zinc/08/15/93/507081593.db2.gz INKYSAMQWZXMAH-IBGZPJMESA-N 0 3 355.482 3.350 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC[C@@H](O)COc1ccccc1C#N ZINC000600727504 507084623 /nfs/dbraw/zinc/08/46/23/507084623.db2.gz WTARSVVMFTZYRJ-DJKXOVBDSA-N 0 3 374.868 3.317 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H]4C[C@H]3CS4)sc2C1 ZINC000591040941 507089886 /nfs/dbraw/zinc/08/98/86/507089886.db2.gz GSIHCCLPZSOEPQ-AVGNSLFASA-N 0 3 361.536 3.263 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000594359462 507092205 /nfs/dbraw/zinc/09/22/05/507092205.db2.gz KLGKHQLKZWQSIU-SFHVURJKSA-N 0 3 364.493 3.112 20 30 FGEDHN CSc1ccccc1OC[C@H](O)CN(Cc1ccnc(C#N)c1)C(C)C ZINC000591048609 507092794 /nfs/dbraw/zinc/09/27/94/507092794.db2.gz NKSGCDHTLOPKCB-GOSISDBHSA-N 0 3 371.506 3.325 20 30 FGEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000591051712 507094036 /nfs/dbraw/zinc/09/40/36/507094036.db2.gz CMSDAVOJJXZTFM-OAQYLSRUSA-N 0 3 350.462 3.487 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1csc(C(F)(F)F)c1 ZINC000600761467 507105271 /nfs/dbraw/zinc/10/52/71/507105271.db2.gz ZNCSAQCIYUENFU-ZDUSSCGKSA-N 0 3 356.369 3.168 20 30 FGEDHN N#CCc1cccc2c1CCN(C(=O)[C@H]1CCCN1Cc1ccccc1)C2 ZINC000600781553 507118032 /nfs/dbraw/zinc/11/80/32/507118032.db2.gz FPBWSAQEXNATET-JOCHJYFZSA-N 0 3 359.473 3.302 20 30 FGEDHN COc1ccc(C2(CNC(=O)[C@H](N)CCCCC#N)CCCCC2)cc1 ZINC000594431645 507128920 /nfs/dbraw/zinc/12/89/20/507128920.db2.gz PIFDWCMTMMCXEF-LJQANCHMSA-N 0 3 357.498 3.425 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000594440206 507133000 /nfs/dbraw/zinc/13/30/00/507133000.db2.gz WOLFLAYAQRWKOE-HNNXBMFYSA-N 0 3 353.388 3.264 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000594438389 507133064 /nfs/dbraw/zinc/13/30/64/507133064.db2.gz NDPQDTRLGYPMTH-SJORKVTESA-N 0 3 367.453 3.201 20 30 FGEDHN COCCOc1c(Cl)cc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594443770 507134910 /nfs/dbraw/zinc/13/49/10/507134910.db2.gz UPCWHFJYQLUDKP-AWEZNQCLSA-N 0 3 374.268 3.368 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c2ccccc2O1 ZINC000591204736 507153456 /nfs/dbraw/zinc/15/34/56/507153456.db2.gz YWQDHFMTIXOWQT-CEXWTWQISA-N 0 3 361.445 3.018 20 30 FGEDHN C[C@@H](CNc1cc(C#N)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000610275400 507171418 /nfs/dbraw/zinc/17/14/18/507171418.db2.gz FYJHAPJKLYJQDU-SFHVURJKSA-N 0 3 371.488 3.151 20 30 FGEDHN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1cc(C#N)nc2ccccc21 ZINC000610279192 507174439 /nfs/dbraw/zinc/17/44/39/507174439.db2.gz DEXDETRFOWFEOE-SFHVURJKSA-N 0 3 371.488 3.151 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)C3(C#N)CCOCC3)sc2c1)C1CC1 ZINC000598031464 507226298 /nfs/dbraw/zinc/22/62/98/507226298.db2.gz XECMNVLYJPNNHO-UHFFFAOYSA-N 0 3 370.478 3.149 20 30 FGEDHN CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCN(CC)C1 ZINC000598041835 507229730 /nfs/dbraw/zinc/22/97/30/507229730.db2.gz NQEPVRUSNRKGHE-KRWDZBQOSA-N 0 3 367.449 3.287 20 30 FGEDHN C[C@@H]1CN(CCCCNc2cccc(-n3cccn3)c2C#N)C[C@H](C)O1 ZINC000584241946 507234367 /nfs/dbraw/zinc/23/43/67/507234367.db2.gz ALTVRWSAYWMZSB-CALCHBBNSA-N 0 3 353.470 3.045 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000610433544 507238044 /nfs/dbraw/zinc/23/80/44/507238044.db2.gz QYFPGGXSBRJDGJ-FQEVSTJZSA-N 0 3 365.477 3.152 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C12CCC2 ZINC000594717402 507251515 /nfs/dbraw/zinc/25/15/15/507251515.db2.gz KIYKNELEMPTTOG-HRCADAONSA-N 0 3 373.522 3.441 20 30 FGEDHN C[C@H](NCc1ccc(OCCN2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000601108869 507262786 /nfs/dbraw/zinc/26/27/86/507262786.db2.gz NSVPYZNCXZVMBB-SFHVURJKSA-N 0 3 365.477 3.120 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000598194738 507305889 /nfs/dbraw/zinc/30/58/89/507305889.db2.gz HJOJRGBXJAHKJJ-DENIHFKCSA-N 0 3 351.494 3.236 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CCC[C@H]3C#N)c(C)c2)CC1 ZINC000601239506 507307445 /nfs/dbraw/zinc/30/74/45/507307445.db2.gz MENHWEVSSQVRSK-PXNSSMCTSA-N 0 3 369.513 3.293 20 30 FGEDHN N#CC1(c2ccc(CNCCNC(=O)c3c(F)cccc3F)cc2)CC1 ZINC000594922511 507314687 /nfs/dbraw/zinc/31/46/87/507314687.db2.gz GJBSLTXBPOZGPQ-UHFFFAOYSA-N 0 3 355.388 3.040 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc4ccncc4s3)C2=O)cc1 ZINC000594944679 507324639 /nfs/dbraw/zinc/32/46/39/507324639.db2.gz USEUFQAEXFQFRQ-SFHVURJKSA-N 0 3 362.458 3.453 20 30 FGEDHN COc1ccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1OCCCC#N ZINC000594959627 507331478 /nfs/dbraw/zinc/33/14/78/507331478.db2.gz FUDKCTWYYRJRPG-YPBQGGFRSA-N 0 3 364.511 3.157 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)ccc1OC ZINC000594960703 507333677 /nfs/dbraw/zinc/33/36/77/507333677.db2.gz KIRFGRODGGEZHV-KCYKTTMJSA-N 0 3 351.512 3.429 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)COCc1ccc(Cl)cc1 ZINC000591763909 507352378 /nfs/dbraw/zinc/35/23/78/507352378.db2.gz QMRAXEFQXOSTPI-AZUAARDMSA-N 0 3 356.853 3.366 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000591762637 507352757 /nfs/dbraw/zinc/35/27/57/507352757.db2.gz OOATXUXKHAECKE-ICSRJNTNSA-N 0 3 368.502 3.333 20 30 FGEDHN CN1CCO[C@H]([C@@H](NCCc2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000595056062 507371825 /nfs/dbraw/zinc/37/18/25/507371825.db2.gz QAZYIDZIEWDYDC-SFTDATJTSA-N 0 3 369.896 3.416 20 30 FGEDHN N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000595228289 507430662 /nfs/dbraw/zinc/43/06/62/507430662.db2.gz OXBQCWGYAQVNMI-IAGOWNOFSA-N 0 3 354.385 3.254 20 30 FGEDHN CC(C)(NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1cccc(C#N)c1 ZINC000595245143 507436534 /nfs/dbraw/zinc/43/65/34/507436534.db2.gz GSIDYXJLSBIJIX-LJQANCHMSA-N 0 3 364.449 3.276 20 30 FGEDHN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC000595258235 507442986 /nfs/dbraw/zinc/44/29/86/507442986.db2.gz AMAFUERGEBYDBW-HOTGVXAUSA-N 0 3 366.303 3.298 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCC[C@H]2CCOC2)CC1 ZINC000592066015 507472772 /nfs/dbraw/zinc/47/27/72/507472772.db2.gz CWLVRZLVLYVSOA-KRWDZBQOSA-N 0 3 350.466 3.045 20 30 FGEDHN CC(C)[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CCN1 ZINC000598572031 507494008 /nfs/dbraw/zinc/49/40/08/507494008.db2.gz KIIMAAIFERUSQU-OAQYLSRUSA-N 0 3 363.461 3.207 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)cc1 ZINC000598573657 507495448 /nfs/dbraw/zinc/49/54/48/507495448.db2.gz OKHVQSFSEOAHAQ-UXHICEINSA-N 0 3 356.429 3.389 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000598590635 507508847 /nfs/dbraw/zinc/50/88/47/507508847.db2.gz UQBCNPLDMZEXAD-FQEVSTJZSA-N 0 3 351.494 3.258 20 30 FGEDHN COc1ccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1Br ZINC000598600024 507512480 /nfs/dbraw/zinc/51/24/80/507512480.db2.gz MGBIKYXNNIYOGQ-AAEUAGOBSA-N 0 3 355.276 3.409 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611108190 507517850 /nfs/dbraw/zinc/51/78/50/507517850.db2.gz BQPHNZXAHKYZSY-PKOBYXMFSA-N 0 3 357.816 3.412 20 30 FGEDHN CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CO)CC=CC1 ZINC000592178035 507526351 /nfs/dbraw/zinc/52/63/51/507526351.db2.gz KPOJQHGWMJFNCX-GOSISDBHSA-N 0 3 361.873 3.093 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000595536676 507548916 /nfs/dbraw/zinc/54/89/16/507548916.db2.gz SCPWSTHQASTZLL-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN CC(C)C[C@@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000611251487 507582143 /nfs/dbraw/zinc/58/21/43/507582143.db2.gz USPLVEJVGDJVOD-WMZOPIPTSA-N 0 3 367.415 3.495 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000592293500 507598855 /nfs/dbraw/zinc/59/88/55/507598855.db2.gz NHOJRNNGZBLQFC-UHFFFAOYSA-N 0 3 367.440 3.170 20 30 FGEDHN C[C@H]1[C@H](NC(=O)NCCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595636758 507608089 /nfs/dbraw/zinc/60/80/89/507608089.db2.gz ISZFUBHDTNOTPF-LAUBAEHRSA-N 0 3 362.477 3.063 20 30 FGEDHN C[C@H](C#N)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000611300420 507611437 /nfs/dbraw/zinc/61/14/37/507611437.db2.gz ZXEXXAPPLVJNQG-GOSISDBHSA-N 0 3 362.477 3.149 20 30 FGEDHN CC(C)(C)N1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000595699049 507633295 /nfs/dbraw/zinc/63/32/95/507633295.db2.gz QVVVXCSTXINCAR-LJQANCHMSA-N 0 3 352.482 3.230 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(NC(C)=O)ccc2Cl)CC1 ZINC000592524157 507694449 /nfs/dbraw/zinc/69/44/49/507694449.db2.gz MRDGVECRADSINY-UHFFFAOYSA-N 0 3 350.850 3.070 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000602402516 507695940 /nfs/dbraw/zinc/69/59/40/507695940.db2.gz QMKJRDIBMDFWAO-UHFFFAOYSA-N 0 3 368.441 3.064 20 30 FGEDHN CCN1CCN(Cc2ccc(N[C@H](C)CC3(C#N)CCOCC3)cc2)CC1 ZINC000602485572 507722334 /nfs/dbraw/zinc/72/23/34/507722334.db2.gz VMXWBPYIOIZEKK-LJQANCHMSA-N 0 3 370.541 3.335 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000602490312 507726338 /nfs/dbraw/zinc/72/63/38/507726338.db2.gz QUCDWJDFXHHNAI-SFHVURJKSA-N 0 3 371.525 3.402 20 30 FGEDHN COc1ccccc1[C@H](CNCc1cccc(C#N)n1)N1CCCCC1 ZINC000602518341 507734568 /nfs/dbraw/zinc/73/45/68/507734568.db2.gz PUEQZJQYTKFNMW-FQEVSTJZSA-N 0 3 350.466 3.279 20 30 FGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cc(F)c(Br)cc1F ZINC000602526093 507738227 /nfs/dbraw/zinc/73/82/27/507738227.db2.gz KXVIGJLNXKVNJO-LKFCYVNXSA-N 0 3 374.229 3.316 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccccc3Br)C2)n1 ZINC000602544822 507744910 /nfs/dbraw/zinc/74/49/10/507744910.db2.gz ACSPJTFZYFPOJH-OAHLLOKOSA-N 0 3 357.255 3.084 20 30 FGEDHN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@H](N)CCCC#N ZINC000602562513 507749910 /nfs/dbraw/zinc/74/99/10/507749910.db2.gz TUPRIHHLYWTPPN-XNRPHZJLSA-N 0 3 364.287 3.175 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592695344 507766584 /nfs/dbraw/zinc/76/65/84/507766584.db2.gz ZUPCRXKUQDQFIL-HXUWFJFHSA-N 0 3 362.477 3.387 20 30 FGEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000190522287 527497423 /nfs/dbraw/zinc/49/74/23/527497423.db2.gz KYGKUEZFEGKMID-INIZCTEOSA-N 0 3 360.527 3.206 20 30 FGEDHN Cc1cc(=NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)[nH]n1CCC#N ZINC000540816693 562593754 /nfs/dbraw/zinc/59/37/54/562593754.db2.gz XXHPWRIUCMEJQL-SJLPKXTDSA-N 0 3 366.469 3.062 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736197904 599309244 /nfs/dbraw/zinc/30/92/44/599309244.db2.gz DEUWJFGVNRJPNA-MRXNPFEDSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736197904 599309247 /nfs/dbraw/zinc/30/92/47/599309247.db2.gz DEUWJFGVNRJPNA-MRXNPFEDSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736197904 599309251 /nfs/dbraw/zinc/30/92/51/599309251.db2.gz DEUWJFGVNRJPNA-MRXNPFEDSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736197904 599309254 /nfs/dbraw/zinc/30/92/54/599309254.db2.gz DEUWJFGVNRJPNA-MRXNPFEDSA-N 0 3 373.464 3.012 20 30 FGEDHN C#CCCCC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819693639 606951547 /nfs/dbraw/zinc/95/15/47/606951547.db2.gz UXDQUZMSTAUKSI-UHFFFAOYSA-N 0 3 361.449 3.339 20 30 FGEDHN C#CCCCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819693639 606951549 /nfs/dbraw/zinc/95/15/49/606951549.db2.gz UXDQUZMSTAUKSI-UHFFFAOYSA-N 0 3 361.449 3.339 20 30 FGEDHN C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(OCC#N)cc1 ZINC000824548418 608519410 /nfs/dbraw/zinc/51/94/10/608519410.db2.gz XFASQSZZJATPSH-JLTOFOAXSA-N 0 3 374.448 3.497 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000120084437 700647620 /nfs/dbraw/zinc/64/76/20/700647620.db2.gz FKJHACLGTGPPLG-SECBINFHSA-N 0 3 361.250 3.251 20 30 FGEDHN N#Cc1ccc2ncc(CNC[C@@H](O)c3ccc(Cl)cc3Cl)n2c1 ZINC000123721605 700709067 /nfs/dbraw/zinc/70/90/67/700709067.db2.gz XHKGKTZAVUEANF-MRXNPFEDSA-N 0 3 361.232 3.336 20 30 FGEDHN N#CC(C(=O)CSCc1cscn1)C(=O)Nc1ccc(Cl)cc1 ZINC000178759533 705675084 /nfs/dbraw/zinc/67/50/84/705675084.db2.gz BKOOWOCAKPQVKW-CYBMUJFWSA-N 0 3 365.867 3.377 20 30 FGEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000248857551 713659769 /nfs/dbraw/zinc/65/97/69/713659769.db2.gz QCAZOUUGZQAFIS-HXUWFJFHSA-N 0 3 355.869 3.457 20 30 FGEDHN C#CCOc1ccc(Br)cc1CN[C@H](CO)Cc1ccccc1 ZINC000320513037 713810835 /nfs/dbraw/zinc/81/08/35/713810835.db2.gz CZUYDEFCACHQSB-SFHVURJKSA-N 0 3 374.278 3.154 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@H](C(=O)NCC)C(C)C)cc1OC ZINC000623532575 715355677 /nfs/dbraw/zinc/35/56/77/715355677.db2.gz ZTRJKZFOTOIBCY-INIZCTEOSA-N 0 3 354.878 3.164 20 30 FGEDHN O=C1c2ccccc2C(=O)N1CC#CCN[C@H](c1cccs1)C1CC1 ZINC000625288002 715700097 /nfs/dbraw/zinc/70/00/97/715700097.db2.gz NNPMUARKAFCBLS-SFHVURJKSA-N 0 3 350.443 3.088 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccncc1C ZINC000629107794 716216652 /nfs/dbraw/zinc/21/66/52/716216652.db2.gz VADXRVPVSDPBJK-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc(C#N)ccc1Cl ZINC000795344371 723583452 /nfs/dbraw/zinc/58/34/52/723583452.db2.gz VPANFVANPMLUBQ-UHFFFAOYSA-N 0 3 355.869 3.458 20 30 FGEDHN C=CC[C@H](CO)CNCc1cc(OC(F)F)ccc1Br ZINC000647199200 718339558 /nfs/dbraw/zinc/33/95/58/718339558.db2.gz RFPOILZDMUATIA-JTQLQIEISA-N 0 3 350.203 3.325 20 30 FGEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000661415420 720244971 /nfs/dbraw/zinc/24/49/71/720244971.db2.gz RXHNRCKEIOHRLR-IEBWSBKVSA-N 0 3 351.535 3.310 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](NC)c2cccc(Cl)c2Cl)CC1 ZINC000662447886 720429447 /nfs/dbraw/zinc/42/94/47/720429447.db2.gz CBJCQZXJHUXLBK-INIZCTEOSA-N 0 3 356.297 3.021 20 30 FGEDHN C=CCN1CCC(NC(=S)Nc2ccc(Br)cc2)CC1 ZINC000783735498 724783781 /nfs/dbraw/zinc/78/37/81/724783781.db2.gz FIYDEQDWVJRAFE-UHFFFAOYSA-N 0 3 354.317 3.386 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCCOC1 ZINC000676235961 721792483 /nfs/dbraw/zinc/79/24/83/721792483.db2.gz KEBAYCNZDIENBA-MRXNPFEDSA-N 0 3 350.532 3.011 20 30 FGEDHN CCC#C[C@@H](C)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479936 721897353 /nfs/dbraw/zinc/89/73/53/721897353.db2.gz RSZCRGUYUWXGIA-KGLIPLIRSA-N 0 3 364.287 3.297 20 30 FGEDHN Cc1ncsc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000731214583 722474027 /nfs/dbraw/zinc/47/40/27/722474027.db2.gz UJHRUHPSUXKJPG-GFCCVEGCSA-N 0 3 356.476 3.370 20 30 FGEDHN CC(C)(C)CN(CCCO)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000732201530 722482276 /nfs/dbraw/zinc/48/22/76/722482276.db2.gz FIHLMROOADZTPL-AWEZNQCLSA-N 0 3 359.495 3.203 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1cccc(O)c1 ZINC000748816568 722705706 /nfs/dbraw/zinc/70/57/06/722705706.db2.gz GWRMLUCNILAHRB-HNNXBMFYSA-N 0 3 351.431 3.310 20 30 FGEDHN C#CCNC(=S)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000758210701 722986240 /nfs/dbraw/zinc/98/62/40/722986240.db2.gz UIHWPHIGHSTIGQ-HNNXBMFYSA-N 0 3 357.445 3.186 20 30 FGEDHN C#CCNC(=S)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000758233678 722986673 /nfs/dbraw/zinc/98/66/73/722986673.db2.gz KWZRDAPNQZBHIP-GDBMZVCRSA-N 0 3 369.456 3.186 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(Cl)cs2)cc1OC ZINC000759432771 723004413 /nfs/dbraw/zinc/00/44/13/723004413.db2.gz ZLLZTJHYSLAOCN-NSHDSACASA-N 0 3 364.810 3.380 20 30 FGEDHN C=C(C)CN1CCC(N2C(=O)N[C@@H](c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000761250293 723137187 /nfs/dbraw/zinc/13/71/87/723137187.db2.gz NDPWDDPDGZBAAM-INIZCTEOSA-N 0 3 365.836 3.113 20 30 FGEDHN C=CCCN(C)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790441546 723140621 /nfs/dbraw/zinc/14/06/21/723140621.db2.gz LFAYYYCEEPOCGD-UHFFFAOYSA-N 0 3 352.232 3.051 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCC1=NNC(=S)Nc1ccccn1 ZINC000767806461 723635130 /nfs/dbraw/zinc/63/51/30/723635130.db2.gz ZTQDIMKSDHHCOJ-HNNXBMFYSA-N 0 3 353.495 3.266 20 30 FGEDHN Cn1ccc(CCC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000796745795 723653158 /nfs/dbraw/zinc/65/31/58/723653158.db2.gz MTLGNJWXFQWENJ-AWEZNQCLSA-N 0 3 365.220 3.007 20 30 FGEDHN C=CCNC(=S)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000771847260 723743563 /nfs/dbraw/zinc/74/35/63/723743563.db2.gz GJRIYGNXDOKDJW-KRWDZBQOSA-N 0 3 355.511 3.111 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC1CCN(CC(F)(F)F)CC1 ZINC000778160698 724305015 /nfs/dbraw/zinc/30/50/15/724305015.db2.gz GALZFNDTAOVAOO-UHFFFAOYSA-N 0 3 360.807 3.468 20 30 FGEDHN C[C@H](C#N)OCCN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000801931255 724347137 /nfs/dbraw/zinc/34/71/37/724347137.db2.gz VNJIIRGHDZBATR-ZACQAIPSSA-N 0 3 351.491 3.169 20 30 FGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000802044914 724354796 /nfs/dbraw/zinc/35/47/96/724354796.db2.gz ATYPDIAPHVDTAG-UONOGXRCSA-N 0 3 356.319 3.484 20 30 FGEDHN COC(=O)CCN1CCC(=NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000788720562 725083367 /nfs/dbraw/zinc/08/33/67/725083367.db2.gz NTQWUTNCFDRITK-UHFFFAOYSA-N 0 3 358.360 3.237 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCOC(=O)C(C)(C)C ZINC000788809413 725089155 /nfs/dbraw/zinc/08/91/55/725089155.db2.gz WMBKBBBCWMSTDK-UHFFFAOYSA-N 0 3 366.531 3.131 20 30 FGEDHN CC(C)(C)N1CC[C@](F)(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000809967970 725279213 /nfs/dbraw/zinc/27/92/13/725279213.db2.gz XSUMESVRSAWODO-LJQANCHMSA-N 0 3 363.502 3.120 20 30 FGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(NS(C)(=O)=O)c1 ZINC000810213754 725297245 /nfs/dbraw/zinc/29/72/45/725297245.db2.gz HGWYSLXGYXYUOQ-DJJJIMSYSA-N 0 3 355.463 3.268 20 30 FGEDHN C=CCC(F)(F)C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCCN1CC ZINC000815875343 727103149 /nfs/dbraw/zinc/10/31/49/727103149.db2.gz RTQPOPGBFBEZCE-MRXNPFEDSA-N 0 3 352.425 3.417 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000821918186 729131904 /nfs/dbraw/zinc/13/19/04/729131904.db2.gz OWRTYACJVPTXPS-QGZVFWFLSA-N 0 3 357.479 3.441 20 30 FGEDHN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCN(CC(F)(F)F)C1 ZINC000832278614 729701887 /nfs/dbraw/zinc/70/18/87/729701887.db2.gz TUONJAZNJRSPJY-OAHLLOKOSA-N 0 3 355.404 3.143 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000835057866 729853956 /nfs/dbraw/zinc/85/39/56/729853956.db2.gz UXRPRJPULRDLNH-CABCVRRESA-N 0 3 360.479 3.335 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C#CC(C)(C)C ZINC000837372258 730022695 /nfs/dbraw/zinc/02/26/95/730022695.db2.gz KXUOIYGLJJPZJF-UHFFFAOYSA-N 0 3 365.315 3.389 20 30 FGEDHN CSc1ccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)[NH+](C)C)cc1 ZINC000840706935 730164577 /nfs/dbraw/zinc/16/45/77/730164577.db2.gz QFKZULBZKKFGSW-HGMDMCOWSA-N 0 3 359.495 3.032 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](CC(C)C)OC)cc1Cl ZINC000842289968 730481275 /nfs/dbraw/zinc/48/12/75/730481275.db2.gz VHCLVMLKGATOED-SWLSCSKDSA-N 0 3 352.818 3.057 20 30 FGEDHN N#CCOc1cc(F)ccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844426130 730716137 /nfs/dbraw/zinc/71/61/37/730716137.db2.gz HGQMFDUWYQUWDL-NEPJUHHUSA-N 0 3 360.307 3.414 20 30 FGEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000845633085 730873340 /nfs/dbraw/zinc/87/33/40/730873340.db2.gz HTQNBUNUPTWSPM-CYBMUJFWSA-N 0 3 359.392 3.285 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000850459875 731359179 /nfs/dbraw/zinc/35/91/79/731359179.db2.gz IRJAYNUPLJTWTR-NSHDSACASA-N 0 3 369.836 3.480 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731848 731627220 /nfs/dbraw/zinc/62/72/20/731627220.db2.gz MXBDOKIOEQJVDW-OALUTQOASA-N 0 3 350.890 3.188 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@@H]2CCN(C)C2)s1 ZINC000855363110 731921949 /nfs/dbraw/zinc/92/19/49/731921949.db2.gz VXHNXKVNBSKGQF-CYBMUJFWSA-N 0 3 373.975 3.391 20 30 FGEDHN CC1C(NN=c2[nH]c3cccnc3s2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000857219217 732112902 /nfs/dbraw/zinc/11/29/02/732112902.db2.gz ZYOPKUYSEBSLCF-SECBINFHSA-N 0 3 361.427 3.015 20 30 FGEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000858296315 732201206 /nfs/dbraw/zinc/20/12/06/732201206.db2.gz SIKHMYOETNHIBX-RDJZCZTQSA-N 0 3 350.256 3.118 20 30 FGEDHN CC[C@@H](C(=O)C(C#N)C(=O)NC(C)C)c1ccc(Br)cc1 ZINC000860472551 732518868 /nfs/dbraw/zinc/51/88/68/732518868.db2.gz KPFIYWUKIJWEGU-KGLIPLIRSA-N 0 3 351.244 3.176 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2c2ccco2)cc1Cl ZINC000860472811 732519039 /nfs/dbraw/zinc/51/90/39/732519039.db2.gz FIBSHRIWNGCXJD-JHJVBQTASA-N 0 3 358.781 3.393 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@H]2CC=C(C(=O)OC)C2)cc1OC ZINC000862467646 732838379 /nfs/dbraw/zinc/83/83/79/732838379.db2.gz PLKMHYWFGOXMAO-AWEZNQCLSA-N 0 3 351.830 3.265 20 30 FGEDHN C=C(Cl)C[C@H]1NC(=O)N(C[C@@H]2CCCN(Cc3cccs3)C2)C1=O ZINC000865301425 733176487 /nfs/dbraw/zinc/17/64/87/733176487.db2.gz LQTGQCHHRBETRX-UKRRQHHQSA-N 0 3 367.902 3.023 20 30 FGEDHN N#Cc1ccc2[nH]c(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000871071677 733912638 /nfs/dbraw/zinc/91/26/38/733912638.db2.gz DMCOUBXZPYOKLE-QWRGUYRKSA-N 0 3 352.316 3.121 20 30 FGEDHN CCC(CC)(CNCCS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F ZINC000872226762 735605264 /nfs/dbraw/zinc/60/52/64/735605264.db2.gz VBUSQKKXKBPHEX-UHFFFAOYSA-N 0 3 362.417 3.290 20 30 FGEDHN C[C@@]1(C(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCC(=O)N1 ZINC000873498992 735770311 /nfs/dbraw/zinc/77/03/11/735770311.db2.gz WAEWPXZWPZXEGU-SJCJKPOMSA-N 0 3 359.838 3.308 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C ZINC000876621486 736122895 /nfs/dbraw/zinc/12/28/95/736122895.db2.gz AGVWBEGPLJTXNW-LRDDRELGSA-N 0 3 363.889 3.276 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000876641356 736125618 /nfs/dbraw/zinc/12/56/18/736125618.db2.gz MOODCMKTBWPBQO-UONOGXRCSA-N 0 3 363.672 3.363 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000876895627 736159422 /nfs/dbraw/zinc/15/94/22/736159422.db2.gz GXSDUYMDLZTDMY-CHWSQXEVSA-N 0 3 353.919 3.198 20 30 FGEDHN Cc1cc([C@@H](N)CC(=O)N(C)CCc2cccc(C#N)c2)cc(Cl)n1 ZINC000877224351 736199563 /nfs/dbraw/zinc/19/95/63/736199563.db2.gz WRRCRQSILQWFBY-KRWDZBQOSA-N 0 3 356.857 3.006 20 30 FGEDHN Cn1nc(C(F)(F)F)c(CN[C@H]2Cc3ccc(C#N)cc3C2)c1Cl ZINC000877766498 736717032 /nfs/dbraw/zinc/71/70/32/736717032.db2.gz CYVHARGEMBXVSG-LBPRGKRZSA-N 0 3 354.763 3.221 20 30 FGEDHN CC(C)(C)OC(=O)NCCCOC1CCN(CC2(CC#N)CC2)CC1 ZINC000878266375 736796910 /nfs/dbraw/zinc/79/69/10/736796910.db2.gz VPJVDEZFISIKAF-UHFFFAOYSA-N 0 3 351.491 3.076 20 30 FGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1C#N ZINC000880878062 737247843 /nfs/dbraw/zinc/24/78/43/737247843.db2.gz PAFQNZGLFZRINF-UHFFFAOYSA-N 0 3 358.467 3.224 20 30 FGEDHN CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884054168 737628787 /nfs/dbraw/zinc/62/87/87/737628787.db2.gz TYVYXNXPEUESGQ-UIORMTCPSA-N 0 3 352.265 3.091 20 30 FGEDHN CCCN(Cc1c(F)cccc1Cl)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884087078 737631699 /nfs/dbraw/zinc/63/16/99/737631699.db2.gz REQXPXCENDCVJG-BIWSTMPVSA-N 0 3 363.864 3.357 20 30 FGEDHN CC(C)c1nc2ccc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)cc2s1 ZINC000884106193 737633873 /nfs/dbraw/zinc/63/38/73/737633873.db2.gz JUANTGORLCWBEJ-FWHMADFJSA-N 0 3 354.479 3.498 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NCC1(c3cccs3)CCCCC1)C2 ZINC000884150286 737638007 /nfs/dbraw/zinc/63/80/07/737638007.db2.gz IGOSIQBKYPSWGX-NGEICVOHSA-N 0 3 357.523 3.206 20 30 FGEDHN Cc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc(C)c1Br ZINC000884322499 737655464 /nfs/dbraw/zinc/65/54/64/737655464.db2.gz OKFGWPGURUALRW-UIORMTCPSA-N 0 3 362.271 3.144 20 30 FGEDHN C#CCN(C(=O)/C=C\c1csc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000886573816 739271119 /nfs/dbraw/zinc/27/11/19/739271119.db2.gz XRWCOORDPLSKJF-PLNGDYQASA-N 0 3 356.413 3.336 20 30 FGEDHN C#CCN(C(=O)c1cc(Cl)cc(Br)c1)C1CCN(C)CC1 ZINC000886580076 739271999 /nfs/dbraw/zinc/27/19/99/739271999.db2.gz UOECJZHWNMBSKI-UHFFFAOYSA-N 0 3 369.690 3.272 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3nnc(C4CC4)s3)CC2)c1 ZINC000895188849 742385111 /nfs/dbraw/zinc/38/51/11/742385111.db2.gz UUOSGFNFNODXEO-UHFFFAOYSA-N 0 3 353.495 3.041 20 30 FGEDHN C=CCCOCCCCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899048827 742861034 /nfs/dbraw/zinc/86/10/34/742861034.db2.gz MTUVWCJGRRWLIU-UHFFFAOYSA-N 0 3 364.877 3.413 20 30 FGEDHN C[C@H](NCc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(C#N)cc1 ZINC000901700481 743622713 /nfs/dbraw/zinc/62/27/13/743622713.db2.gz ULDNTOFAAURUGZ-AWEZNQCLSA-N 0 3 355.463 3.313 20 30 FGEDHN C[C@H](NC[C@H]1CSCCN1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902972131 743794738 /nfs/dbraw/zinc/79/47/38/743794738.db2.gz ABKONHJWQDHBEB-LPHOPBHVSA-N 0 3 352.507 3.221 20 30 FGEDHN CC[C@H](C#N)Oc1cccc(CNC[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905116394 743993941 /nfs/dbraw/zinc/99/39/41/743993941.db2.gz DDNLOTYKNZFZGU-TZMCWYRMSA-N 0 3 366.330 3.406 20 30 FGEDHN COc1ccc(C(C)=NNC(=S)NC(C)(C)C)cc1CN1CCCC1 ZINC000916343309 758073437 /nfs/dbraw/zinc/07/34/37/758073437.db2.gz BFZRHZHPXHUBQV-UHFFFAOYSA-N 0 3 362.543 3.278 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000916876509 758149567 /nfs/dbraw/zinc/14/95/67/758149567.db2.gz AOAYBYXPSKPTBX-INIZCTEOSA-N 0 3 355.463 3.368 20 30 FGEDHN C#CCN(C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(C)CC1 ZINC000921374893 758700698 /nfs/dbraw/zinc/70/06/98/758700698.db2.gz BOUIAKRKYAZFOJ-CABCVRRESA-N 0 3 359.436 3.094 20 30 FGEDHN CCS(=O)(=O)c1ccccc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000926908069 759842956 /nfs/dbraw/zinc/84/29/56/759842956.db2.gz HBSPTBNMTCSGQT-CQSZACIVSA-N 0 3 360.454 3.384 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cncc(Br)c2C)CC1 ZINC000934248558 761570296 /nfs/dbraw/zinc/57/02/96/761570296.db2.gz FBFZTRDYUCRFAM-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)Cc1cccc(Cl)c1 ZINC000960884442 762741694 /nfs/dbraw/zinc/74/16/94/762741694.db2.gz PXEKGFHYUWWIOR-OTWHNJEPSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNCc2ccc(F)cc2Cl)C1 ZINC000962321773 762759992 /nfs/dbraw/zinc/75/99/92/762759992.db2.gz MTEFFAHOAZQHTB-RVOIXBIKSA-N 0 3 366.864 3.055 20 30 FGEDHN CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1NCc1ccc(C#N)s1 ZINC000996396952 765008056 /nfs/dbraw/zinc/00/80/56/765008056.db2.gz YANZTNHSBSLZGN-RCCFBDPRSA-N 0 3 357.523 3.383 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001028549699 766122980 /nfs/dbraw/zinc/12/29/80/766122980.db2.gz VOBQBFKEYHGVEH-UHOSZYNNSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC001039132496 766292629 /nfs/dbraw/zinc/29/26/29/766292629.db2.gz MUBVOCUTXRKHNB-FHWLQOOXSA-N 0 3 368.949 3.361 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001045938730 766576628 /nfs/dbraw/zinc/57/66/28/766576628.db2.gz KDUMLFGFCZYMHQ-FZSWNZPRSA-N 0 3 366.933 3.425 20 30 FGEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001052655709 766914585 /nfs/dbraw/zinc/91/45/85/766914585.db2.gz HIRHOCAWBIJHAV-RRFJBIMHSA-N 0 3 350.915 3.499 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000048709760 257343887 /nfs/dbraw/zinc/34/38/87/257343887.db2.gz CKGJTOFAWFJIHS-FQEVSTJZSA-N 0 3 355.869 3.375 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000576899090 505619602 /nfs/dbraw/zinc/61/96/02/505619602.db2.gz XNUQFYAXQDIUED-FQEVSTJZSA-N 0 3 352.482 3.231 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000580038058 505667376 /nfs/dbraw/zinc/66/73/76/505667376.db2.gz GPKLUUCYSTUOSO-AEFFLSMTSA-N 0 3 357.479 3.380 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000068201740 493777644 /nfs/dbraw/zinc/77/76/44/493777644.db2.gz UCCOROYUKMQGGD-IBGZPJMESA-N 0 3 351.425 3.226 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)[C@@H]1Oc1ccccc1 ZINC000571210402 505680403 /nfs/dbraw/zinc/68/04/03/505680403.db2.gz DXVYHHDTSIFOOO-NRSPTQNISA-N 0 3 352.434 3.281 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000068885306 493889152 /nfs/dbraw/zinc/88/91/52/493889152.db2.gz LFMRGJZEXSQARA-GOSISDBHSA-N 0 3 354.498 3.376 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000058911852 493893150 /nfs/dbraw/zinc/89/31/50/493893150.db2.gz XHIRUAMOMWKVHQ-ICSRJNTNSA-N 0 3 355.482 3.048 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000076545296 493918513 /nfs/dbraw/zinc/91/85/13/493918513.db2.gz DHGKKTJKHYPBCM-GFCCVEGCSA-N 0 3 352.385 3.156 20 30 FGEDHN N#CC(C(=O)c1cccc(Br)c1)c1nnc2n1CCCCC2 ZINC000060851139 493956929 /nfs/dbraw/zinc/95/69/29/493956929.db2.gz HKBRXKFTMGPWGV-CYBMUJFWSA-N 0 3 359.227 3.257 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000069520522 493979018 /nfs/dbraw/zinc/97/90/18/493979018.db2.gz FGAAHMJDGJYSRR-NRFANRHFSA-N 0 3 363.461 3.275 20 30 FGEDHN CCNC(=O)c1cccc(CNCc2ccc(N(C)CCC#N)cc2)c1 ZINC000069833174 494021008 /nfs/dbraw/zinc/02/10/08/494021008.db2.gz NPUUYZYNTZXEMI-UHFFFAOYSA-N 0 3 350.466 3.076 20 30 FGEDHN COc1ccc([C@H]2CCN(CCOc3ccc(C#N)cc3OC)C2)cc1 ZINC000077275069 494046137 /nfs/dbraw/zinc/04/61/37/494046137.db2.gz XGZYKHLGFAKQBU-SFHVURJKSA-N 0 3 352.434 3.444 20 30 FGEDHN N#Cc1ccccc1OCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000007850117 494047528 /nfs/dbraw/zinc/04/75/28/494047528.db2.gz WGJXEYCIKKUZRI-UHFFFAOYSA-N 0 3 363.461 3.239 20 30 FGEDHN C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N1CCCC1 ZINC000052641569 494049113 /nfs/dbraw/zinc/04/91/13/494049113.db2.gz VUAVWNKDHVCVLQ-QGZVFWFLSA-N 0 3 363.461 3.351 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000077457041 494087748 /nfs/dbraw/zinc/08/77/48/494087748.db2.gz BSJGLQUJEAUXKP-SJORKVTESA-N 0 3 367.511 3.096 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000087116366 494173487 /nfs/dbraw/zinc/17/34/87/494173487.db2.gz MKLZSMKMURBSNR-QGZVFWFLSA-N 0 3 356.514 3.297 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccccn1 ZINC000087208413 494182960 /nfs/dbraw/zinc/18/29/60/494182960.db2.gz MMMLNAITBFSJLM-UHFFFAOYSA-N 0 3 368.506 3.026 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000041855933 494183694 /nfs/dbraw/zinc/18/36/94/494183694.db2.gz NVAITCWVQKEOMT-KRWDZBQOSA-N 0 3 363.889 3.093 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccccc1F ZINC000065930824 494257162 /nfs/dbraw/zinc/25/71/62/494257162.db2.gz ZSOWNLVKZXYDJC-UHFFFAOYSA-N 0 3 369.440 3.057 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1Cl ZINC000065931301 494258300 /nfs/dbraw/zinc/25/83/00/494258300.db2.gz MTAYCTQHYRNGKI-UHFFFAOYSA-N 0 3 371.868 3.181 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000577352480 505710768 /nfs/dbraw/zinc/71/07/68/505710768.db2.gz XXIYEWAOVHLRFW-NBYUQASBSA-N 0 3 357.498 3.072 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000016468864 494391152 /nfs/dbraw/zinc/39/11/52/494391152.db2.gz WQFXYOFUIZQGPQ-HXUWFJFHSA-N 0 3 351.450 3.136 20 30 FGEDHN COCCN(CCC(=O)NCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000066873020 494430015 /nfs/dbraw/zinc/43/00/15/494430015.db2.gz XVLXPEMBOFRSNX-UHFFFAOYSA-N 0 3 357.498 3.093 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)CC1 ZINC000074132466 494485852 /nfs/dbraw/zinc/48/58/52/494485852.db2.gz DUAXXUHJWQSJHB-YLJYHZDGSA-N 0 3 357.498 3.117 20 30 FGEDHN COc1ccc([C@@H](NC[C@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000023677629 494575312 /nfs/dbraw/zinc/57/53/12/494575312.db2.gz XZDPHUMUVOENGC-RXVVDRJESA-N 0 3 354.450 3.293 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1nnc(C(F)F)s1)C(C)C ZINC000067586646 494575510 /nfs/dbraw/zinc/57/55/10/494575510.db2.gz AAKQSSCIHSGQIJ-NSHDSACASA-N 0 3 359.446 3.296 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000080079652 494588629 /nfs/dbraw/zinc/58/86/29/494588629.db2.gz NHUWXIQLAIFMEC-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccccc3OC)C2)CC1 ZINC000125972909 494592255 /nfs/dbraw/zinc/59/22/55/494592255.db2.gz YWBQSRQUGYHWCG-KRWDZBQOSA-N 0 3 357.498 3.235 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000047011645 494616304 /nfs/dbraw/zinc/61/63/04/494616304.db2.gz WEBORGQAQHQQNH-SFTDATJTSA-N 0 3 365.452 3.391 20 30 FGEDHN N#CC1(c2ccccc2)CC(NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000126101867 494636718 /nfs/dbraw/zinc/63/67/18/494636718.db2.gz XMOXVEACJVTXIA-UHFFFAOYSA-N 0 3 368.502 3.205 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025308630 494719426 /nfs/dbraw/zinc/71/94/26/494719426.db2.gz KESSXGWXMAZEKE-TZIWHRDSSA-N 0 3 354.425 3.469 20 30 FGEDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092010917 494753881 /nfs/dbraw/zinc/75/38/81/494753881.db2.gz GNRBMAISTMGSNU-QUCCMNQESA-N 0 3 368.481 3.048 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000108707401 494768219 /nfs/dbraw/zinc/76/82/19/494768219.db2.gz DQCOAFUUSZRZSO-ZDUSSCGKSA-N 0 3 354.372 3.108 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000092056489 494772025 /nfs/dbraw/zinc/77/20/25/494772025.db2.gz GAVQCRGEUDFGDK-UHFFFAOYSA-N 0 3 354.494 3.313 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000025946926 494792649 /nfs/dbraw/zinc/79/26/49/494792649.db2.gz WLERCCVCSFWUJO-UHFFFAOYSA-N 0 3 361.445 3.482 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000121610873 494820093 /nfs/dbraw/zinc/82/00/93/494820093.db2.gz MSHMWASMCOCXHH-MRXNPFEDSA-N 0 3 369.387 3.012 20 30 FGEDHN CC(C)c1nc2n(n1)C[C@@H](NCc1cccc(OCCCC#N)c1)CC2 ZINC000109074198 494828112 /nfs/dbraw/zinc/82/81/12/494828112.db2.gz FNEUXSMVFABOBQ-KRWDZBQOSA-N 0 3 353.470 3.189 20 30 FGEDHN C=CCc1cc(CN2CCC(OC3CCOCC3)CC2)cc(OC)c1O ZINC000093140361 494833374 /nfs/dbraw/zinc/83/33/74/494833374.db2.gz OLHGYCWOICATMR-UHFFFAOYSA-N 0 3 361.482 3.289 20 30 FGEDHN C=CC[C@@H](C)NC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000116946392 494874358 /nfs/dbraw/zinc/87/43/58/494874358.db2.gz GDAKIIHLRIKQLO-LJQANCHMSA-N 0 3 358.530 3.161 20 30 FGEDHN CCn1cc(NC(=O)C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cn1 ZINC000118394810 494999797 /nfs/dbraw/zinc/99/97/97/494999797.db2.gz LQMQCTWRRFQLBQ-OAHLLOKOSA-N 0 3 351.454 3.186 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2n2cccn2)cc1Cl ZINC000128052090 495037351 /nfs/dbraw/zinc/03/73/51/495037351.db2.gz WTOQETDKXNREIK-IAGOWNOFSA-N 0 3 357.845 3.120 20 30 FGEDHN CN(C)c1cccc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000118867702 495051011 /nfs/dbraw/zinc/05/10/11/495051011.db2.gz RFKVVSCBUUMXHR-RBBKRZOGSA-N 0 3 365.477 3.201 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCC1(c2ccccc2C)CCOCC1 ZINC000098123400 495059231 /nfs/dbraw/zinc/05/92/31/495059231.db2.gz TUAOYMNFEQEISY-IBGZPJMESA-N 0 3 358.526 3.446 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000133947517 495085603 /nfs/dbraw/zinc/08/56/03/495085603.db2.gz WVJSUBBFOGTCRL-UXHICEINSA-N 0 3 354.475 3.258 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000123143039 495086789 /nfs/dbraw/zinc/08/67/89/495086789.db2.gz OETPMXUXEKLLSO-UTKZUKDTSA-N 0 3 363.461 3.258 20 30 FGEDHN C=CCc1ccc(OCC(=O)NCc2ccc(CN(C)C)cc2)c(OC)c1 ZINC000128557281 495116439 /nfs/dbraw/zinc/11/64/39/495116439.db2.gz BWLQAGMGHBBOSW-UHFFFAOYSA-N 0 3 368.477 3.181 20 30 FGEDHN Cc1cc(CN(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)ccc1C#N ZINC000571569291 505763293 /nfs/dbraw/zinc/76/32/93/505763293.db2.gz YJXWBRZXVUNJIN-PGRDOPGGSA-N 0 3 350.462 3.409 20 30 FGEDHN COc1ccc([C@@H](CCO)NCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000128747793 495144397 /nfs/dbraw/zinc/14/43/97/495144397.db2.gz WWDNQMNYBLUIIY-OAQYLSRUSA-N 0 3 353.466 3.258 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(CN(C)C)c1 ZINC000129429236 495244134 /nfs/dbraw/zinc/24/41/34/495244134.db2.gz FAWXXHFXQCQPMX-NRFANRHFSA-N 0 3 365.477 3.340 20 30 FGEDHN N#CC(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccccn1 ZINC000103798362 495257121 /nfs/dbraw/zinc/25/71/21/495257121.db2.gz XEBWBHCMHWIRCI-LLVKDONJSA-N 0 3 353.275 3.246 20 30 FGEDHN C[C@@H](NC1(CNC(=O)c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000113235573 495287310 /nfs/dbraw/zinc/28/73/10/495287310.db2.gz WDABLSRLHWFDAD-QGZVFWFLSA-N 0 3 363.461 3.188 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc2ccccc21 ZINC000129884379 495310071 /nfs/dbraw/zinc/31/00/71/495310071.db2.gz KXFLHSVNLLVSHK-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000129954028 495319208 /nfs/dbraw/zinc/31/92/08/495319208.db2.gz BXIHUFXFEJIFAD-UHFFFAOYSA-N 0 3 371.359 3.384 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2ccccc2OCC#N)[C@@H]1c1cccs1 ZINC000129955332 495319490 /nfs/dbraw/zinc/31/94/90/495319490.db2.gz SNBZPEWVDQWUSW-DNVCBOLYSA-N 0 3 369.490 3.463 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114642646 495403301 /nfs/dbraw/zinc/40/33/01/495403301.db2.gz ABFOTVXCRQCMHB-XLIONFOSSA-N 0 3 363.461 3.106 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114644402 495403835 /nfs/dbraw/zinc/40/38/35/495403835.db2.gz INIQPSCANLYYIV-FXAWDEMLSA-N 0 3 363.461 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCOc2ccc(OCC)cc2)CC1 ZINC000106039405 495406931 /nfs/dbraw/zinc/40/69/31/495406931.db2.gz DPKFFOWPYAZAKT-UHFFFAOYSA-N 0 3 360.498 3.401 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114689292 495409793 /nfs/dbraw/zinc/40/97/93/495409793.db2.gz HEOALAWHKSRMJK-GOSISDBHSA-N 0 3 363.461 3.209 20 30 FGEDHN N#C[C@@H](NC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CCCCC1 ZINC000120694570 495436900 /nfs/dbraw/zinc/43/69/00/495436900.db2.gz AQZNAGGDIBXUQB-OAQYLSRUSA-N 0 3 369.509 3.093 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2nc3ccccc3[nH]2)CC1 ZINC000106275016 495441718 /nfs/dbraw/zinc/44/17/18/495441718.db2.gz XVDQEVOOJCNCMP-MRXNPFEDSA-N 0 3 355.486 3.354 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000139061296 495472197 /nfs/dbraw/zinc/47/21/97/495472197.db2.gz HALHBBXXTQASLD-QZTJIDSGSA-N 0 3 351.535 3.262 20 30 FGEDHN C[C@H](O)[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000106864902 495502827 /nfs/dbraw/zinc/50/28/27/495502827.db2.gz HYLFGMQEUSTJQY-XJKSGUPXSA-N 0 3 361.511 3.062 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C2CCC(C)CC2)CC1 ZINC000115567334 495518419 /nfs/dbraw/zinc/51/84/19/495518419.db2.gz LJKRDZXBQJEFJP-TVRKMHQQSA-N 0 3 354.498 3.082 20 30 FGEDHN C=CCN1CCC(NC(=O)CN(Cc2ccccc2)c2ccccc2)CC1 ZINC000179312707 495538285 /nfs/dbraw/zinc/53/82/85/495538285.db2.gz XUZMCGTUKYQKGA-UHFFFAOYSA-N 0 3 363.505 3.460 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CC)CCO)cc1OCC ZINC000158655051 495559854 /nfs/dbraw/zinc/55/98/54/495559854.db2.gz AHISVMMZWLADLL-UHFFFAOYSA-N 0 3 358.276 3.227 20 30 FGEDHN COc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1OCCCC#N ZINC000147225330 495573163 /nfs/dbraw/zinc/57/31/63/495573163.db2.gz DIKLZRPGEWXLSK-QGZVFWFLSA-N 0 3 367.449 3.233 20 30 FGEDHN COc1ccc(CNC[C@@H]2Cc3ccccc3O2)cc1OCCCC#N ZINC000147141034 495573251 /nfs/dbraw/zinc/57/32/51/495573251.db2.gz TXPZAXUMRGCMCD-SFHVURJKSA-N 0 3 352.434 3.471 20 30 FGEDHN COc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000574526665 505793252 /nfs/dbraw/zinc/79/32/52/505793252.db2.gz ADERNCRLNSJJJR-CQSZACIVSA-N 0 3 353.422 3.082 20 30 FGEDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1COc2ccccc21 ZINC000185606555 495641465 /nfs/dbraw/zinc/64/14/65/495641465.db2.gz XJKHQTCYSPGWMQ-BLLLJJGKSA-N 0 3 355.825 3.304 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000179666613 495682750 /nfs/dbraw/zinc/68/27/50/495682750.db2.gz WBSBUBAJVJOWQW-OAQYLSRUSA-N 0 3 364.493 3.429 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000182767798 495695496 /nfs/dbraw/zinc/69/54/96/495695496.db2.gz AURXTYRGCQMVKX-OAHLLOKOSA-N 0 3 360.326 3.030 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3nc(C(F)(F)F)cs3)n2c1 ZINC000173845029 495717374 /nfs/dbraw/zinc/71/73/74/495717374.db2.gz PDUYWQUXGCCRMW-UHFFFAOYSA-N 0 3 351.357 3.014 20 30 FGEDHN CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000171123848 495733381 /nfs/dbraw/zinc/73/33/81/495733381.db2.gz BFLHREXLYKNWKL-OAQYLSRUSA-N 0 3 365.433 3.255 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000185849383 495748908 /nfs/dbraw/zinc/74/89/08/495748908.db2.gz UKBOESKFELTBTB-HNNXBMFYSA-N 0 3 358.486 3.443 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CCC(=O)OCC)cc2)CC1 ZINC000159653295 495778872 /nfs/dbraw/zinc/77/88/72/495778872.db2.gz JFZCFMRBBFSXLU-UHFFFAOYSA-N 0 3 373.497 3.344 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000159955624 495849060 /nfs/dbraw/zinc/84/90/60/495849060.db2.gz XZUSVWQYFYTKFT-UWJYYQICSA-N 0 3 362.477 3.363 20 30 FGEDHN COc1ccc(CNCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1C#N ZINC000174304391 495902354 /nfs/dbraw/zinc/90/23/54/495902354.db2.gz LMOWYSZVDXCISQ-KRWDZBQOSA-N 0 3 365.477 3.077 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)CC1 ZINC000180287224 495937798 /nfs/dbraw/zinc/93/77/98/495937798.db2.gz GLPIMBSXIOOZMG-UHFFFAOYSA-N 0 3 352.482 3.259 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000171717606 496004731 /nfs/dbraw/zinc/00/47/31/496004731.db2.gz GOFJFTDYCIRXKN-UHFFFAOYSA-N 0 3 365.433 3.110 20 30 FGEDHN C=CCN1CCC(NC(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000171718663 496004792 /nfs/dbraw/zinc/00/47/92/496004792.db2.gz DXXSZOJLJYCBKY-UHFFFAOYSA-N 0 3 353.466 3.431 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2csc(-c3cccc(C)c3)n2)CC1 ZINC000171722664 496007357 /nfs/dbraw/zinc/00/73/57/496007357.db2.gz LHTNFNVZFBQLEB-UHFFFAOYSA-N 0 3 355.507 3.428 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 ZINC000171738223 496014487 /nfs/dbraw/zinc/01/44/87/496014487.db2.gz JYXAPHXHJAGDHW-UHFFFAOYSA-N 0 3 370.497 3.003 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2csc(Br)c2)CC1 ZINC000171739843 496014641 /nfs/dbraw/zinc/01/46/41/496014641.db2.gz XCEGKUCCJGJMQJ-UHFFFAOYSA-N 0 3 372.332 3.302 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000171738302 496014654 /nfs/dbraw/zinc/01/46/54/496014654.db2.gz MRPSNFBBDYETCE-LJQANCHMSA-N 0 3 359.470 3.016 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2-n2nc(C)cc2C)CC1 ZINC000171737549 496014958 /nfs/dbraw/zinc/01/49/58/496014958.db2.gz IWJAWILWBAIYFG-UHFFFAOYSA-N 0 3 353.470 3.261 20 30 FGEDHN COC(=O)[C@@H](C)[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000152046482 496031959 /nfs/dbraw/zinc/03/19/59/496031959.db2.gz VAECKOWDHJEWSB-GUYCJALGSA-N 0 3 371.462 3.088 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)CNc2cccc(C#N)c2)N2CCCC2)cc1 ZINC000155816036 496077483 /nfs/dbraw/zinc/07/74/83/496077483.db2.gz RAFNMOKGBOPBFR-OAQYLSRUSA-N 0 3 362.477 3.232 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000174769599 496099028 /nfs/dbraw/zinc/09/90/28/496099028.db2.gz SGOSWYCKZQRIOQ-QGZVFWFLSA-N 0 3 367.497 3.273 20 30 FGEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000177686706 496159627 /nfs/dbraw/zinc/15/96/27/496159627.db2.gz LFPAVXYTCCTNSI-ZDUSSCGKSA-N 0 3 355.463 3.128 20 30 FGEDHN N#CCCn1cc(CNCc2ccc(CO)c(F)c2)c(-c2ccccc2)n1 ZINC000172115480 496172155 /nfs/dbraw/zinc/17/21/55/496172155.db2.gz ZTEUSKZTEZNMMY-UHFFFAOYSA-N 0 3 364.424 3.385 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000574677798 505829252 /nfs/dbraw/zinc/82/92/52/505829252.db2.gz KRHQILPLKMRLHN-GMAHTHKFSA-N 0 3 366.505 3.224 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000180954378 496216766 /nfs/dbraw/zinc/21/67/66/496216766.db2.gz LXLKSHRITYMPQP-KRWDZBQOSA-N 0 3 357.498 3.472 20 30 FGEDHN CC1(c2ccccc2)CC(N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000571859084 505830583 /nfs/dbraw/zinc/83/05/83/505830583.db2.gz UECKVBFOTBNLKJ-QKDPSFTKSA-N 0 3 359.473 3.369 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000180983212 496228872 /nfs/dbraw/zinc/22/88/72/496228872.db2.gz WWBNAHKVDHYDID-MSOLQXFVSA-N 0 3 363.889 3.120 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000181047801 496252270 /nfs/dbraw/zinc/25/22/70/496252270.db2.gz NNWLXGDVAGASGR-HNNXBMFYSA-N 0 3 371.506 3.247 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181225135 496319062 /nfs/dbraw/zinc/31/90/62/496319062.db2.gz ZXTKDSQNBJLOMF-CBQOVEMMSA-N 0 3 366.461 3.055 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000184303429 496328093 /nfs/dbraw/zinc/32/80/93/496328093.db2.gz CZDZPEWVQSFABU-MRXNPFEDSA-N 0 3 356.470 3.460 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000181258721 496331029 /nfs/dbraw/zinc/33/10/29/496331029.db2.gz VUHQJVANHRVHKM-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](c3ccncc3)C2)c(OC)c1 ZINC000580783813 505837998 /nfs/dbraw/zinc/83/79/98/505837998.db2.gz WJWZCNNMKLQQRX-VQTJNVASSA-N 0 3 368.477 3.048 20 30 FGEDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000178322269 496412613 /nfs/dbraw/zinc/41/26/13/496412613.db2.gz KHHBTNHREUHQDH-HNAYVOBHSA-N 0 3 373.497 3.217 20 30 FGEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(OC(C)(C)C)cc1 ZINC000157254841 496439505 /nfs/dbraw/zinc/43/95/05/496439505.db2.gz OZUBAIWMJBZTGS-ORIGZDJFSA-N 0 3 357.454 3.041 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NC[C@H](C#N)CCC#N)CC1 ZINC000181628932 496476644 /nfs/dbraw/zinc/47/66/44/496476644.db2.gz UUGWDSATFVPAPQ-IRXDYDNUSA-N 0 3 357.477 3.062 20 30 FGEDHN C=CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)Cc1cccs1 ZINC000181641169 496482249 /nfs/dbraw/zinc/48/22/49/496482249.db2.gz BQWPBIORQCOODC-IBGZPJMESA-N 0 3 357.523 3.155 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccc(F)c1 ZINC000173028664 496526154 /nfs/dbraw/zinc/52/61/54/496526154.db2.gz YBRSSWYVZWAALV-INIZCTEOSA-N 0 3 353.441 3.391 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000178669558 496534066 /nfs/dbraw/zinc/53/40/66/496534066.db2.gz QGMNYNHCFAXKOG-RBUKOAKNSA-N 0 3 363.546 3.406 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000157944017 496592481 /nfs/dbraw/zinc/59/24/81/496592481.db2.gz WLRNMRNWGCRXPK-AWEZNQCLSA-N 0 3 353.470 3.498 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC(Cn2nc(C)cc2C)CC1 ZINC000157982889 496601137 /nfs/dbraw/zinc/60/11/37/496601137.db2.gz GXOSZMDZOSJXDD-UHFFFAOYSA-N 0 3 368.481 3.171 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnn(-c3ccccc3F)c2C)CC1 ZINC000178988387 496636295 /nfs/dbraw/zinc/63/62/95/496636295.db2.gz BZZASUDDZZZIKR-UHFFFAOYSA-N 0 3 357.433 3.092 20 30 FGEDHN CN(C(=O)c1cccc(F)c1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000187995909 496644709 /nfs/dbraw/zinc/64/47/09/496644709.db2.gz BKNDABJMVAXUKJ-UHFFFAOYSA-N 0 3 351.425 3.434 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1cccs1 ZINC000173359138 496658168 /nfs/dbraw/zinc/65/81/68/496658168.db2.gz KCPKHYCDOWDZKP-RHSMWYFYSA-N 0 3 372.498 3.063 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cnn(C)c1 ZINC000273243895 496751655 /nfs/dbraw/zinc/75/16/55/496751655.db2.gz AQMYEECWQLRPTD-CYBMUJFWSA-N 0 3 371.510 3.302 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000188419457 496783614 /nfs/dbraw/zinc/78/36/14/496783614.db2.gz JIDLBNQZSNERLA-HXUWFJFHSA-N 0 3 362.539 3.445 20 30 FGEDHN C[C@@H]1CN(CCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000277616433 496830200 /nfs/dbraw/zinc/83/02/00/496830200.db2.gz WUAQTFKMOQLGHR-MRXNPFEDSA-N 0 3 358.486 3.110 20 30 FGEDHN CCOC(=O)c1ccc(N2CCCN(CCCCC(C)(C)C#N)CC2)nc1 ZINC000277664506 496845944 /nfs/dbraw/zinc/84/59/44/496845944.db2.gz JIPURNPFMLRGLZ-UHFFFAOYSA-N 0 3 372.513 3.490 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(OCCCC#N)c2)[C@]12CCCO2 ZINC000273599767 496850948 /nfs/dbraw/zinc/85/09/48/496850948.db2.gz LNFYZTIRWPSFOC-PWRODBHTSA-N 0 3 374.481 3.194 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2ccccc2OCC#N)[C@H]1c1cccs1 ZINC000247477470 496867240 /nfs/dbraw/zinc/86/72/40/496867240.db2.gz SNBZPEWVDQWUSW-BEFAXECRSA-N 0 3 369.490 3.463 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)CC1 ZINC000264344038 496876704 /nfs/dbraw/zinc/87/67/04/496876704.db2.gz CZZMVUNGEZKRPK-INIZCTEOSA-N 0 3 372.513 3.377 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000264374067 496884963 /nfs/dbraw/zinc/88/49/63/496884963.db2.gz RXMCXSPXAWRIHK-KRWDZBQOSA-N 0 3 363.527 3.089 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000572022267 505871954 /nfs/dbraw/zinc/87/19/54/505871954.db2.gz SXHFRMIPFWNLRX-QFIPXVFZSA-N 0 3 364.445 3.415 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC000264394251 496890482 /nfs/dbraw/zinc/89/04/82/496890482.db2.gz OIQOPKUHNIIEGU-GOSISDBHSA-N 0 3 357.498 3.235 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)OCC)cc2)CC1 ZINC000264421575 496897288 /nfs/dbraw/zinc/89/72/88/496897288.db2.gz UIZQTIUEZJHJQB-UHFFFAOYSA-N 0 3 360.458 3.417 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000264484356 496910594 /nfs/dbraw/zinc/91/05/94/496910594.db2.gz MCKJIJFXRWZYIU-UHFFFAOYSA-N 0 3 350.466 3.130 20 30 FGEDHN CN(Cc1ccc(OCC#N)cc1)Cc1ccccc1N1CCOCC1 ZINC000264534051 496922456 /nfs/dbraw/zinc/92/24/56/496922456.db2.gz FMRYSVGFLHPYPD-UHFFFAOYSA-N 0 3 351.450 3.058 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000191969676 496948752 /nfs/dbraw/zinc/94/87/52/496948752.db2.gz YTQIMOSXSCZCIY-HNNXBMFYSA-N 0 3 357.498 3.076 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000189016004 496979376 /nfs/dbraw/zinc/97/93/76/496979376.db2.gz DIBNFNVDPBHQGM-HHXXYDBFSA-N 0 3 350.528 3.476 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000248398069 496994251 /nfs/dbraw/zinc/99/42/51/496994251.db2.gz MNIAXOWHAZWTBT-VQIMIIECSA-N 0 3 358.449 3.386 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000192157378 497016458 /nfs/dbraw/zinc/01/64/58/497016458.db2.gz GGILFUVAQQJALS-IEBWSBKVSA-N 0 3 357.816 3.412 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000227419804 497089372 /nfs/dbraw/zinc/08/93/72/497089372.db2.gz OFBSTQGKMGGYJH-FUHIMQAGSA-N 0 3 357.498 3.198 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000189444167 497119334 /nfs/dbraw/zinc/11/93/34/497119334.db2.gz GMNNMLXEOCTLGB-KRWDZBQOSA-N 0 3 365.525 3.409 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC000278514170 497140157 /nfs/dbraw/zinc/14/01/57/497140157.db2.gz BTELBZWICZOVIY-QWHCGFSZSA-N 0 3 361.423 3.190 20 30 FGEDHN C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000249042251 497153955 /nfs/dbraw/zinc/15/39/55/497153955.db2.gz VBGQJLULDBUEMK-YNVMFWSZSA-N 0 3 355.482 3.108 20 30 FGEDHN CC(C)(O)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000274817176 497173180 /nfs/dbraw/zinc/17/31/80/497173180.db2.gz RUIZBZGZCKQKFO-HXUWFJFHSA-N 0 3 363.461 3.071 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnn(-c3ccc(C)cc3C)c2)CC1 ZINC000189647949 497195042 /nfs/dbraw/zinc/19/50/42/497195042.db2.gz OHXXYIIIPKEJEM-UHFFFAOYSA-N 0 3 353.470 3.261 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000265880513 497200256 /nfs/dbraw/zinc/20/02/56/497200256.db2.gz YKPRBZTWJZJTLO-MRXNPFEDSA-N 0 3 360.527 3.047 20 30 FGEDHN Cc1nc(Cl)ccc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000270871233 497217590 /nfs/dbraw/zinc/21/75/90/497217590.db2.gz BQLITADNKTZVRG-UHFFFAOYSA-N 0 3 370.884 3.048 20 30 FGEDHN C#CCCCN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000270897854 497222401 /nfs/dbraw/zinc/22/24/01/497222401.db2.gz IXFMCKSXBWKSRU-IBGZPJMESA-N 0 3 363.429 3.461 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)cc(OC)c1OC ZINC000237346277 497223195 /nfs/dbraw/zinc/22/31/95/497223195.db2.gz YOVLONSERMJMPA-MGPUTAFESA-N 0 3 368.477 3.385 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC2(CCOCC2)C1 ZINC000266049854 497241402 /nfs/dbraw/zinc/24/14/02/497241402.db2.gz YKBJKICQIMRDCL-SFHVURJKSA-N 0 3 355.482 3.214 20 30 FGEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278866929 497247569 /nfs/dbraw/zinc/24/75/69/497247569.db2.gz WSAXZXGFOBIURH-NHCUHLMSSA-N 0 3 358.445 3.272 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccc(F)cc2)CC1 ZINC000271328351 497321849 /nfs/dbraw/zinc/32/18/49/497321849.db2.gz FHAKLTUVPXXDGL-BEFAXECRSA-N 0 3 363.477 3.241 20 30 FGEDHN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279201430 497366377 /nfs/dbraw/zinc/36/63/77/497366377.db2.gz AUXZXRJVERUPRV-XJKSGUPXSA-N 0 3 369.371 3.102 20 30 FGEDHN CN(CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1F ZINC000279296718 497397271 /nfs/dbraw/zinc/39/72/71/497397271.db2.gz LPTZJEQMXZBFSH-SFHVURJKSA-N 0 3 364.424 3.022 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccco1 ZINC000279438336 497439146 /nfs/dbraw/zinc/43/91/46/497439146.db2.gz FBUBXBXQBKLOMJ-RTBURBONSA-N 0 3 364.449 3.033 20 30 FGEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000271827606 497462487 /nfs/dbraw/zinc/46/24/87/497462487.db2.gz WPCDWRXCLOMOTC-QGZVFWFLSA-N 0 3 366.465 3.073 20 30 FGEDHN COc1cc(C#N)ccc1OCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267070471 497480414 /nfs/dbraw/zinc/48/04/14/497480414.db2.gz NRYODLVRUCSKLN-UHFFFAOYSA-N 0 3 364.405 3.257 20 30 FGEDHN C[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271911813 497485815 /nfs/dbraw/zinc/48/58/15/497485815.db2.gz FCHNMZFTMIRRDG-QGZVFWFLSA-N 0 3 366.484 3.296 20 30 FGEDHN Cc1ccc([C@@H](CN[C@H](C)c2ccc(C#N)c(F)c2)N2CCOCC2)o1 ZINC000271955666 497495939 /nfs/dbraw/zinc/49/59/39/497495939.db2.gz SEYDRYNCWMGHMK-DNVCBOLYSA-N 0 3 357.429 3.323 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@]2(C)CCCO)c1C ZINC000272045521 497521030 /nfs/dbraw/zinc/52/10/30/497521030.db2.gz SDIUHXCBCZSZJN-NRFANRHFSA-N 0 3 357.498 3.177 20 30 FGEDHN C[C@@H](CCc1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190604622 497541763 /nfs/dbraw/zinc/54/17/63/497541763.db2.gz YQBBHQLJHQUCDY-HRAATJIYSA-N 0 3 365.452 3.409 20 30 FGEDHN C[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190606939 497543578 /nfs/dbraw/zinc/54/35/78/497543578.db2.gz VEMIUSJLBHCMND-MGPUTAFESA-N 0 3 351.425 3.019 20 30 FGEDHN C[C@H](CCc1ccccc1F)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190615410 497546616 /nfs/dbraw/zinc/54/66/16/497546616.db2.gz OTOJQXNGNOOTCA-IERDGZPVSA-N 0 3 365.452 3.409 20 30 FGEDHN C[C@H](CCc1ccccc1F)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190615365 497546759 /nfs/dbraw/zinc/54/67/59/497546759.db2.gz OTOJQXNGNOOTCA-IIBYNOLFSA-N 0 3 365.452 3.409 20 30 FGEDHN CCCCO[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000190618010 497548262 /nfs/dbraw/zinc/54/82/62/497548262.db2.gz DQHJXTJRXHVXAX-VAMGGRTRSA-N 0 3 369.509 3.233 20 30 FGEDHN N=C(NCc1nnc2n1CCCC2)Nc1cccc(Oc2ccccc2)c1 ZINC000262538923 497572111 /nfs/dbraw/zinc/57/21/11/497572111.db2.gz QTAJMZHWYWNQHX-UHFFFAOYSA-N 0 3 362.437 3.334 20 30 FGEDHN C=CCC[C@H](NC1CCN(S(=O)(=O)CC(C)C)CC1)c1ccco1 ZINC000276431404 497573144 /nfs/dbraw/zinc/57/31/44/497573144.db2.gz IXJKKFDEPDIXQC-KRWDZBQOSA-N 0 3 354.516 3.327 20 30 FGEDHN COC1CCN(C2(CNC(=O)[C@]3(C#N)CC34CCCC4)CCCC2)CC1 ZINC000575083156 505916811 /nfs/dbraw/zinc/91/68/11/505916811.db2.gz HRLZXPYNIWPFRI-OAQYLSRUSA-N 0 3 359.514 3.000 20 30 FGEDHN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279945461 497598221 /nfs/dbraw/zinc/59/82/21/497598221.db2.gz GKUQNUMSPUQSMO-LIVBEALHSA-N 0 3 365.408 3.272 20 30 FGEDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1[O-] ZINC000190838558 497618713 /nfs/dbraw/zinc/61/87/13/497618713.db2.gz YPRPWQWWQRSORZ-SFHVURJKSA-N 0 3 369.852 3.116 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC000272425135 497625118 /nfs/dbraw/zinc/62/51/18/497625118.db2.gz DTQWFXFZQRYNHG-HKUYNNGSSA-N 0 3 354.498 3.375 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3CCCO3)sc2C1 ZINC000246189587 497654047 /nfs/dbraw/zinc/65/40/47/497654047.db2.gz WFZMOCPXVXXMAZ-UONOGXRCSA-N 0 3 361.511 3.184 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194426561 497662406 /nfs/dbraw/zinc/66/24/06/497662406.db2.gz CGGRVYBZUKGSCR-OAQYLSRUSA-N 0 3 362.477 3.222 20 30 FGEDHN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280279247 497705948 /nfs/dbraw/zinc/70/59/48/497705948.db2.gz DLFKDJHSUCVFOJ-CZAAIQMYSA-N 0 3 359.429 3.229 20 30 FGEDHN CCCn1ccnc1CCCN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000277048141 497725962 /nfs/dbraw/zinc/72/59/62/497725962.db2.gz CFQUEMYBPQWUNA-UHFFFAOYSA-N 0 3 367.497 3.104 20 30 FGEDHN Cc1sc(NC(=O)CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000246420454 497728163 /nfs/dbraw/zinc/72/81/63/497728163.db2.gz CACNCTZWUOCMHE-YJBOKZPZSA-N 0 3 372.538 3.124 20 30 FGEDHN CC(C)n1c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc2ccccc21 ZINC000280365381 497731735 /nfs/dbraw/zinc/73/17/35/497731735.db2.gz LPPPRYXMJOYODQ-SFHVURJKSA-N 0 3 371.444 3.488 20 30 FGEDHN CN(Cc1nc2c(s1)CCCC2)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280451385 497757755 /nfs/dbraw/zinc/75/77/55/497757755.db2.gz RMORHGFUPHWDOQ-MRXNPFEDSA-N 0 3 364.474 3.234 20 30 FGEDHN CC(C(=O)N[C@@]1(C)CCCc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000329544799 497825641 /nfs/dbraw/zinc/82/56/41/497825641.db2.gz GHIVNJSLBXKFEB-KUHUBIRLSA-N 0 3 365.495 3.177 20 30 FGEDHN CC1(C)C[C@H]([NH+]=C([O-])N[C@H]2CCc3nc[nH]c3C2)c2ccc(F)cc2O1 ZINC000329599758 497840804 /nfs/dbraw/zinc/84/08/04/497840804.db2.gz JWJBGODVCQGBTA-LRDDRELGSA-N 0 3 358.417 3.212 20 30 FGEDHN CC1(C)C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH]cnc3C2)c2ccc(F)cc2O1 ZINC000329599758 497840806 /nfs/dbraw/zinc/84/08/06/497840806.db2.gz JWJBGODVCQGBTA-LRDDRELGSA-N 0 3 358.417 3.212 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3occc32)c(OC)c1 ZINC000575174761 505936727 /nfs/dbraw/zinc/93/67/27/505936727.db2.gz RTCQRAKDKUUNHC-FUHWJXTLSA-N 0 3 357.450 3.424 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000569447519 505937974 /nfs/dbraw/zinc/93/79/74/505937974.db2.gz USPYUBSDBBUFNX-DWLFOUALSA-N 0 3 353.462 3.057 20 30 FGEDHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCC2(CCOCC2)[C@H]1C ZINC000329668341 497863058 /nfs/dbraw/zinc/86/30/58/497863058.db2.gz LTHBYCSPYJKMJM-BRWVUGGUSA-N 0 3 374.481 3.062 20 30 FGEDHN C=CCN(C(=O)NCc1c(C)noc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364278619 497877594 /nfs/dbraw/zinc/87/75/94/497877594.db2.gz JIVJDDFCULVIBT-LJQANCHMSA-N 0 3 368.481 3.264 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@@H](O)c3ccccc3F)CC2)c1 ZINC000299656243 497883639 /nfs/dbraw/zinc/88/36/39/497883639.db2.gz QLUFZLPRWFDULA-HXUWFJFHSA-N 0 3 367.424 3.081 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000280751162 497884257 /nfs/dbraw/zinc/88/42/57/497884257.db2.gz MJNGEWUEADMZSP-UHFFFAOYSA-N 0 3 364.449 3.244 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)s1 ZINC000288773285 497895350 /nfs/dbraw/zinc/89/53/50/497895350.db2.gz DQGKEMHMSNFZQT-UHFFFAOYSA-N 0 3 364.478 3.040 20 30 FGEDHN C[C@@H]1CC[C@H](C)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329771395 497896855 /nfs/dbraw/zinc/89/68/55/497896855.db2.gz JUKPZPIEGORBOW-UONOGXRCSA-N 0 3 361.442 3.470 20 30 FGEDHN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000329804063 497906617 /nfs/dbraw/zinc/90/66/17/497906617.db2.gz LUFDBXJNCKAOQX-KSZLIROESA-N 0 3 358.486 3.249 20 30 FGEDHN Cc1ncc2n1CC[C@@H](C(=O)NCC1(N3CCSCC3)CCCC1)C2 ZINC000329806842 497908578 /nfs/dbraw/zinc/90/85/78/497908578.db2.gz BHMYCGFSAFQBOQ-MRXNPFEDSA-N 0 3 362.543 3.072 20 30 FGEDHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)CC2 ZINC000329851745 497927618 /nfs/dbraw/zinc/92/76/18/497927618.db2.gz UBGJLDPQXCXNSA-CYZMBNFOSA-N 0 3 370.419 3.348 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@](C)(O)CC2)[C@@H]1c1cccs1 ZINC000329909127 497949563 /nfs/dbraw/zinc/94/95/63/497949563.db2.gz MGYBKOIRAXLFEQ-SUMDDJOVSA-N 0 3 365.543 3.282 20 30 FGEDHN CCOc1ccc([C@@H]2C[C@H]2NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000280938897 497958602 /nfs/dbraw/zinc/95/86/02/497958602.db2.gz GDTRCNFKQOKIRO-HLAWJBBLSA-N 0 3 359.429 3.312 20 30 FGEDHN C=CCN1CCC(Nc2nc(C)nc3sc(C(=O)OC)c(C)c32)CC1 ZINC000301174144 497984426 /nfs/dbraw/zinc/98/44/26/497984426.db2.gz LIDBPVOPWXIVBC-UHFFFAOYSA-N 0 3 360.483 3.157 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3nc4ccccc4cc3CO)CC2)cc1 ZINC000301175859 497984819 /nfs/dbraw/zinc/98/48/19/497984819.db2.gz IGWPVJGOHKNXFG-UHFFFAOYSA-N 0 3 372.472 3.311 20 30 FGEDHN CC(C(=O)N[C@@H](c1ccccc1)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000330051855 498004519 /nfs/dbraw/zinc/00/45/19/498004519.db2.gz ODBZYLISOZULFN-DYVFJYSZSA-N 0 3 351.468 3.077 20 30 FGEDHN CC(C(=O)N[C@H]1CCc2c1cccc2Cl)S(=O)(=O)C1CCOCC1 ZINC000330131382 498032746 /nfs/dbraw/zinc/03/27/46/498032746.db2.gz FQMALOLIYOPICM-BZNIZROVSA-N 0 3 371.886 3.266 20 30 FGEDHN Cc1ccn2cc(CNC(=O)N3CCN(C4CCCCC4)CC3)nc2c1 ZINC000330136106 498035268 /nfs/dbraw/zinc/03/52/68/498035268.db2.gz NBKWSNJJNPIVRD-UHFFFAOYSA-N 0 3 355.486 3.007 20 30 FGEDHN Cc1cccnc1[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(C)C ZINC000330146209 498038949 /nfs/dbraw/zinc/03/89/49/498038949.db2.gz HTVOTJQCKFRFLG-GDBMZVCRSA-N 0 3 368.499 3.026 20 30 FGEDHN CSCc1cc(F)ccc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000575377189 505969647 /nfs/dbraw/zinc/96/96/47/505969647.db2.gz GUHQUGDUDCHVLY-IBGZPJMESA-N 0 3 374.481 3.284 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(OCCCO)cc3)CC2)cc1 ZINC000289271908 498085635 /nfs/dbraw/zinc/08/56/35/498085635.db2.gz GKLJSCWHEMKQPK-UHFFFAOYSA-N 0 3 365.477 3.396 20 30 FGEDHN C[C@H](CNC(=O)N[C@H]1CCOC2(CCCCC2)C1)N1CCC[C@@H](C)C1 ZINC000330270066 498088362 /nfs/dbraw/zinc/08/83/62/498088362.db2.gz SUODDUMBWSVDPP-KURKYZTESA-N 0 3 351.535 3.492 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC(F)F)c(F)c2)CC1 ZINC000296555242 498092837 /nfs/dbraw/zinc/09/28/37/498092837.db2.gz GAPLUGBOSJIOKS-UHFFFAOYSA-N 0 3 371.403 3.267 20 30 FGEDHN C#CCOc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000364723029 498112756 /nfs/dbraw/zinc/11/27/56/498112756.db2.gz MLEGQILGHNXVTB-OAQYLSRUSA-N 0 3 366.505 3.313 20 30 FGEDHN C#CCOc1ccccc1CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000364722490 498113788 /nfs/dbraw/zinc/11/37/88/498113788.db2.gz KUWVJMONRSYEOO-HXUWFJFHSA-N 0 3 366.505 3.313 20 30 FGEDHN CCC[C@H](CCc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000578619212 505982598 /nfs/dbraw/zinc/98/25/98/505982598.db2.gz FPYKYDWRHIFCBX-LJQANCHMSA-N 0 3 371.506 3.118 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1C[C@H](N2CCCC2)C[C@@H]1C ZINC000285547792 498125356 /nfs/dbraw/zinc/12/53/56/498125356.db2.gz MAFXCASAGAOHOV-DLBZAZTESA-N 0 3 359.539 3.462 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ccc(Cl)c(C#N)n3)CC2)C[C@H](C)O1 ZINC000301521875 498146287 /nfs/dbraw/zinc/14/62/87/498146287.db2.gz DMYYYOJWKUCXFF-GASCZTMLSA-N 0 3 362.905 3.322 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNc2ccc(F)cc2C#N)CC1 ZINC000301556090 498161918 /nfs/dbraw/zinc/16/19/18/498161918.db2.gz WOZPFKZAWCYAEX-UHFFFAOYSA-N 0 3 352.457 3.447 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CN[C@]1(CO)CCc2ccccc21 ZINC000364843469 498169641 /nfs/dbraw/zinc/16/96/41/498169641.db2.gz XPKOOOPHRWIDLY-QHCPKHFHSA-N 0 3 357.457 3.332 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285697256 498175235 /nfs/dbraw/zinc/17/52/35/498175235.db2.gz VRLXAYVTZYCOSY-KEYYUXOJSA-N 0 3 360.889 3.097 20 30 FGEDHN N#Cc1cccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000285832682 498214223 /nfs/dbraw/zinc/21/42/23/498214223.db2.gz HGWQOIXRBMWSDI-HKBOAZHASA-N 0 3 361.445 3.001 20 30 FGEDHN CN1CCC[C@H](CNC(=O)NC[C@H](O)C(C)(C)C)[C@@H]1c1cccs1 ZINC000330997474 498233019 /nfs/dbraw/zinc/23/30/19/498233019.db2.gz XYTBUWWOCQBFBW-VNQPRFMTSA-N 0 3 353.532 3.042 20 30 FGEDHN C[C@H](NC1(Cc2ccccc2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000578715855 506003418 /nfs/dbraw/zinc/00/34/18/506003418.db2.gz HUQLEQVEMYIVMM-SFHVURJKSA-N 0 3 369.509 3.099 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC(n2cc(Cl)cn2)CC1 ZINC000365020888 498260034 /nfs/dbraw/zinc/26/00/34/498260034.db2.gz QEAPVDHWSHSOCV-UHFFFAOYSA-N 0 3 360.845 3.133 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)C[C@@H](C)O1 ZINC000289749723 498276149 /nfs/dbraw/zinc/27/61/49/498276149.db2.gz LANHMDVURCIPAS-HUUCEWRRSA-N 0 3 374.460 3.050 20 30 FGEDHN CC1(C#N)CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000360643180 498292992 /nfs/dbraw/zinc/29/29/92/498292992.db2.gz SHMQRHHKECUIJV-LJQANCHMSA-N 0 3 354.498 3.234 20 30 FGEDHN CN1Cc2ccccc2[C@@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790553 498308090 /nfs/dbraw/zinc/30/80/90/498308090.db2.gz BGQGSNFVZBNGIB-QHCPKHFHSA-N 0 3 360.505 3.299 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000331423503 498328210 /nfs/dbraw/zinc/32/82/10/498328210.db2.gz RWWWOPLZLXYKDW-VAMGGRTRSA-N 0 3 369.509 3.270 20 30 FGEDHN COc1ccc(-c2nc(CCNCc3cnc4ccc(C#N)cn34)co2)cc1 ZINC000361070666 498341377 /nfs/dbraw/zinc/34/13/77/498341377.db2.gz XPKFRIXEVYKJIC-UHFFFAOYSA-N 0 3 373.416 3.202 20 30 FGEDHN C=CCN1CCC(NCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000282002795 498352992 /nfs/dbraw/zinc/35/29/92/498352992.db2.gz MFPOBQHJCJNFPK-UHFFFAOYSA-N 0 3 352.504 3.230 20 30 FGEDHN Cn1cc(CN2CC[C@@]3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000365234610 498365344 /nfs/dbraw/zinc/36/53/44/498365344.db2.gz OPWXPEQSJSPXGA-XLIONFOSSA-N 0 3 358.486 3.166 20 30 FGEDHN CC1(C)CN(c2cc(C#N)ncn2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000581589081 506022206 /nfs/dbraw/zinc/02/22/06/506022206.db2.gz FBAODJWSTGDFNW-NRFANRHFSA-N 0 3 361.493 3.475 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)N(C)[C@@H](C)C3)sc2C1 ZINC000293454389 498390401 /nfs/dbraw/zinc/39/04/01/498390401.db2.gz PQIRFFUXPZLBRJ-KFWWJZLASA-N 0 3 374.554 3.098 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331657465 498411071 /nfs/dbraw/zinc/41/10/71/498411071.db2.gz XSEDXSJWONUPDJ-XEGUMIITSA-N 0 3 355.482 3.147 20 30 FGEDHN N#Cc1ncc(C(F)(F)F)cc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000572701360 506032210 /nfs/dbraw/zinc/03/22/10/506032210.db2.gz DFUOMCZWOJIUKV-HNNXBMFYSA-N 0 3 368.403 3.053 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc2cc(C#N)ccc2n1 ZINC000302440515 498485842 /nfs/dbraw/zinc/48/58/42/498485842.db2.gz MWNDNGUNMZFDRM-HSZRJFAPSA-N 0 3 372.472 3.180 20 30 FGEDHN C[C@@H](CNC[C@H](O)COc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000572752752 506044057 /nfs/dbraw/zinc/04/40/57/506044057.db2.gz GWGFPFIMOYZXRA-YOEHRIQHSA-N 0 3 360.841 3.008 20 30 FGEDHN CCC(CC)(CCO)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000282463594 498523407 /nfs/dbraw/zinc/52/34/07/498523407.db2.gz NAOSJTRLUQMGCM-UHFFFAOYSA-N 0 3 351.878 3.117 20 30 FGEDHN C[C@@]1(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCCN1Cc1ccccc1 ZINC000581709478 506049672 /nfs/dbraw/zinc/04/96/72/506049672.db2.gz STEMOTIBQSNKPA-CUWPLCDZSA-N 0 3 354.498 3.423 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000332157904 498583297 /nfs/dbraw/zinc/58/32/97/498583297.db2.gz OVXCTKYTHUFJAG-KRWDZBQOSA-N 0 3 361.461 3.378 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000569973670 506059630 /nfs/dbraw/zinc/05/96/30/506059630.db2.gz LGASGIUXENCTNS-LIRRHRJNSA-N 0 3 352.413 3.482 20 30 FGEDHN C=C(C)COc1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000290599391 498614455 /nfs/dbraw/zinc/61/44/55/498614455.db2.gz VVSJZTKYERAUMO-SFHVURJKSA-N 0 3 358.482 3.094 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)N(C)CCC#N ZINC000287133165 498642563 /nfs/dbraw/zinc/64/25/63/498642563.db2.gz GYKPWYCXLGNIMG-HZPDHXFCSA-N 0 3 352.438 3.285 20 30 FGEDHN Cc1sc(NC(=O)CN2CCC[C@H](N3CCCCC3)C2)c(C#N)c1C ZINC000365904053 498692724 /nfs/dbraw/zinc/69/27/24/498692724.db2.gz TVROADIPKWHUJZ-INIZCTEOSA-N 0 3 360.527 3.125 20 30 FGEDHN Cc1csc(CCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000282895140 498700269 /nfs/dbraw/zinc/70/02/69/498700269.db2.gz CINLHVJHPBWHJL-UHFFFAOYSA-N 0 3 370.522 3.236 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000365932841 498705807 /nfs/dbraw/zinc/70/58/07/498705807.db2.gz XYTWHLCDPNHDND-MRXNPFEDSA-N 0 3 367.428 3.126 20 30 FGEDHN CN(C)CCOC1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000576103136 506078140 /nfs/dbraw/zinc/07/81/40/506078140.db2.gz KAQSWFKKSVOPMV-UHFFFAOYSA-N 0 3 358.873 3.307 20 30 FGEDHN CC(C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCCCC1 ZINC000332560714 498726459 /nfs/dbraw/zinc/72/64/59/498726459.db2.gz RCQBNMQSKOHSEB-OAQYLSRUSA-N 0 3 369.509 3.439 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccc(Cl)c1 ZINC000363360020 498779493 /nfs/dbraw/zinc/77/94/93/498779493.db2.gz BJDHWFCZDFWCIH-YJBOKZPZSA-N 0 3 356.857 3.353 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nccn2-c2ccccc2)CC1 ZINC000287514507 498782313 /nfs/dbraw/zinc/78/23/13/498782313.db2.gz VCBBZCFLFUVFMD-QGZVFWFLSA-N 0 3 367.497 3.273 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 ZINC000294746218 498791890 /nfs/dbraw/zinc/79/18/90/498791890.db2.gz VOXNJDUSPQEIAA-AXHNFQJDSA-N 0 3 365.458 3.121 20 30 FGEDHN N#CCc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000363403638 498802040 /nfs/dbraw/zinc/80/20/40/498802040.db2.gz DFJXTZSHMAJLSP-IBGZPJMESA-N 0 3 363.465 3.181 20 30 FGEDHN N#CCCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(F)cc1 ZINC000573034469 506103318 /nfs/dbraw/zinc/10/33/18/506103318.db2.gz XKKPJQNMHHZBHW-GOSISDBHSA-N 0 3 366.440 3.380 20 30 FGEDHN CC(C)c1nccn1C[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000363567919 498881792 /nfs/dbraw/zinc/88/17/92/498881792.db2.gz LLVICWXEAIDGIZ-INIZCTEOSA-N 0 3 371.510 3.433 20 30 FGEDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N[C@H]1CCOc2ccccc21 ZINC000328639995 498885159 /nfs/dbraw/zinc/88/51/59/498885159.db2.gz CHIXWTDRLQEJDY-WOUAJJJCSA-N 0 3 356.466 3.404 20 30 FGEDHN CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000328653431 498890330 /nfs/dbraw/zinc/89/03/30/498890330.db2.gz WVYHBEFSDPJZJX-QGZVFWFLSA-N 0 3 354.479 3.141 20 30 FGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291332127 498897616 /nfs/dbraw/zinc/89/76/16/498897616.db2.gz VVDBCAWNYHLEKW-MRXNPFEDSA-N 0 3 364.449 3.208 20 30 FGEDHN Cn1cc(CN2CC[C@](CO)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000291337246 498900315 /nfs/dbraw/zinc/90/03/15/498900315.db2.gz VKYQZANMAXRBJQ-QHCPKHFHSA-N 0 3 372.472 3.095 20 30 FGEDHN Cc1ccc2c(c1)nc(CNC(=O)N1CCN(C3CCCCC3)CC1)n2C ZINC000328720300 498913870 /nfs/dbraw/zinc/91/38/70/498913870.db2.gz WBWMJEINXQGZFH-UHFFFAOYSA-N 0 3 369.513 3.246 20 30 FGEDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cn2c(n1)CCCC2 ZINC000328730243 498918215 /nfs/dbraw/zinc/91/82/15/498918215.db2.gz WIKWUTILERGPAJ-OAHLLOKOSA-N 0 3 358.511 3.498 20 30 FGEDHN O=C(N[C@@H]1CCn2ccnc2C1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328737835 498921787 /nfs/dbraw/zinc/92/17/87/498921787.db2.gz LWEXLZKKYIJCAB-OLZOCXBDSA-N 0 3 356.392 3.166 20 30 FGEDHN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C12CCCN1CCC2 ZINC000328752929 498926440 /nfs/dbraw/zinc/92/64/40/498926440.db2.gz DCWVOTWXYFHRAS-HNNXBMFYSA-N 0 3 365.836 3.169 20 30 FGEDHN C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)NCCN1CCCCC1 ZINC000328755063 498927990 /nfs/dbraw/zinc/92/79/90/498927990.db2.gz FALXCYAIIQQZGZ-NVXWUHKLSA-N 0 3 359.470 3.340 20 30 FGEDHN C=CC[C@@H](C)NCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295242110 498953165 /nfs/dbraw/zinc/95/31/65/498953165.db2.gz STUFUQVKFKJXFV-NEPJUHHUSA-N 0 3 355.276 3.017 20 30 FGEDHN Cc1ncncc1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000328847620 498959459 /nfs/dbraw/zinc/95/94/59/498959459.db2.gz SQYMNXHVVGJNGP-KRWDZBQOSA-N 0 3 352.438 3.078 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccccc1O2 ZINC000328848761 498960412 /nfs/dbraw/zinc/96/04/12/498960412.db2.gz RDRVNCRYHTUFQY-ZBFHGGJFSA-N 0 3 357.454 3.298 20 30 FGEDHN CS[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1N(C)C ZINC000579214685 506121158 /nfs/dbraw/zinc/12/11/58/506121158.db2.gz SRRPQJXIRZAHFY-KGLIPLIRSA-N 0 3 364.877 3.381 20 30 FGEDHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)cc2)CC1 ZINC000328904719 498980668 /nfs/dbraw/zinc/98/06/68/498980668.db2.gz AIPCXMMDRLSKFN-FXAWDEMLSA-N 0 3 371.525 3.286 20 30 FGEDHN CC(C)c1ccc2ncc(C#N)c(N3CCN(C[C@@H]4CCOC4)CC3)c2c1 ZINC000333334364 498982467 /nfs/dbraw/zinc/98/24/67/498982467.db2.gz RNBWLYNAKWPTNL-KRWDZBQOSA-N 0 3 364.493 3.388 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000328936140 498991575 /nfs/dbraw/zinc/99/15/75/498991575.db2.gz JJXHREQFGAWTGZ-QXCFHYIPSA-N 0 3 368.481 3.290 20 30 FGEDHN Cc1ccc(C)c(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cccc(CO)c2)c1 ZINC000283988964 499025500 /nfs/dbraw/zinc/02/55/00/499025500.db2.gz GXXDQHHRZYMUKJ-UHFFFAOYSA-O 0 3 369.510 3.164 20 30 FGEDHN C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ncc(Br)cn1 ZINC000329112305 499045439 /nfs/dbraw/zinc/04/54/39/499045439.db2.gz KOIHPWVSIWDDSP-GWCFXTLKSA-N 0 3 353.264 3.131 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000333658846 499051586 /nfs/dbraw/zinc/05/15/86/499051586.db2.gz GMLIMJPSQGXWNY-MSOLQXFVSA-N 0 3 364.449 3.389 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329200463 499070387 /nfs/dbraw/zinc/07/03/87/499070387.db2.gz VHZILMLDHQOMFR-JTJHWIPRSA-N 0 3 363.546 3.323 20 30 FGEDHN CCc1nc(CNC(=O)NCC2(N3CCSCC3)CCCC2)cs1 ZINC000329367130 499109898 /nfs/dbraw/zinc/10/98/98/499109898.db2.gz IRWJNIXDMJYVRN-UHFFFAOYSA-N 0 3 368.572 3.071 20 30 FGEDHN C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC12CCC2 ZINC000329462010 499124722 /nfs/dbraw/zinc/12/47/22/499124722.db2.gz PXVUEPULDYHXEJ-XLIONFOSSA-N 0 3 371.525 3.179 20 30 FGEDHN COc1cc(CN(C)C2CCN(c3cc(C)nc(C)n3)CC2)ccc1C#N ZINC000367036043 499137591 /nfs/dbraw/zinc/13/75/91/499137591.db2.gz MCLIJHBXOYAYRJ-UHFFFAOYSA-N 0 3 365.481 3.075 20 30 FGEDHN C=CCN(Cc1nc([C@H](C)OC)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000370037428 499169785 /nfs/dbraw/zinc/16/97/85/499169785.db2.gz NGIFDKMMQJLLKJ-WMZOPIPTSA-N 0 3 356.470 3.040 20 30 FGEDHN N#CC1CCC(CNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000370184796 499194731 /nfs/dbraw/zinc/19/47/31/499194731.db2.gz OWEFOBDSVYEBCX-QLOJAFMTSA-N 0 3 354.498 3.138 20 30 FGEDHN CN1CC[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1cccs1 ZINC000370327676 499210047 /nfs/dbraw/zinc/21/00/47/499210047.db2.gz WFTCYRWIBJFRKM-PXAZEXFGSA-N 0 3 361.417 3.321 20 30 FGEDHN C=CCC[C@H](NC1CCC(N2CCCS2(=O)=O)CC1)c1ccco1 ZINC000367547857 499211132 /nfs/dbraw/zinc/21/11/32/499211132.db2.gz AZLDAXXXIPQJJE-JCYILVPMSA-N 0 3 352.500 3.223 20 30 FGEDHN CN1CCC(Oc2ccc(NC(=O)c3cc(C#N)ccc3Cl)cn2)CC1 ZINC000370576419 499233141 /nfs/dbraw/zinc/23/31/41/499233141.db2.gz SCOUFSDEHFSTGA-UHFFFAOYSA-N 0 3 370.840 3.332 20 30 FGEDHN COc1ccc(C2=CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1OC ZINC000371464763 499330481 /nfs/dbraw/zinc/33/04/81/499330481.db2.gz WKDJUXGBSJPBMM-HXUWFJFHSA-N 0 3 364.445 3.398 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369003046 499355669 /nfs/dbraw/zinc/35/56/69/499355669.db2.gz STQQQYYBMGUROP-MRXNPFEDSA-N 0 3 353.426 3.430 20 30 FGEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000369363384 499395590 /nfs/dbraw/zinc/39/55/90/499395590.db2.gz KXXBPTYSEWJDMT-UWWQBHOKSA-N 0 3 350.890 3.430 20 30 FGEDHN C#CC[C@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000372080540 499396751 /nfs/dbraw/zinc/39/67/51/499396751.db2.gz PZJCFJLWLKEXOI-LPHOPBHVSA-N 0 3 365.481 3.172 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000576388189 506146456 /nfs/dbraw/zinc/14/64/56/506146456.db2.gz YDCWNQYSLHVXQA-ZWKOTPCHSA-N 0 3 369.513 3.005 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378379667 499509269 /nfs/dbraw/zinc/50/92/69/499509269.db2.gz SQNZLWFCASLVJS-OALUTQOASA-N 0 3 371.481 3.082 20 30 FGEDHN Cc1nc(CO[C@@H]2CCN(CCCOc3cccc(C#N)c3)C2)cs1 ZINC000375395296 499513810 /nfs/dbraw/zinc/51/38/10/499513810.db2.gz RLXYIMIXVFNRMD-LJQANCHMSA-N 0 3 357.479 3.383 20 30 FGEDHN COc1cccc(N2C[C@@H](N[C@@H](C)c3ccc(OCC#N)cc3)CC2=O)c1 ZINC000378450812 499518386 /nfs/dbraw/zinc/51/83/86/499518386.db2.gz INXOUMRJDLAYEM-RDJZCZTQSA-N 0 3 365.433 3.054 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000378651548 499541042 /nfs/dbraw/zinc/54/10/42/499541042.db2.gz YSQXXRZMMKXZMG-JSNMRZPZSA-N 0 3 373.522 3.424 20 30 FGEDHN CC(C)n1ncc2c1[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000375668411 499543450 /nfs/dbraw/zinc/54/34/50/499543450.db2.gz GEHQBMGXXPHNJR-RTBURBONSA-N 0 3 361.449 3.212 20 30 FGEDHN CCc1nnc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c(C#N)c1CC ZINC000383089821 499546777 /nfs/dbraw/zinc/54/67/77/499546777.db2.gz QPPRPRSGQOKUEE-SFHVURJKSA-N 0 3 363.509 3.431 20 30 FGEDHN CN(CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1CC1 ZINC000375955093 499571394 /nfs/dbraw/zinc/57/13/94/499571394.db2.gz UYDJLBSYVMZJJA-UHFFFAOYSA-N 0 3 374.916 3.029 20 30 FGEDHN C=C(CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000377028612 499655130 /nfs/dbraw/zinc/65/51/30/499655130.db2.gz HAUUDNFICVVSHF-PMACEKPBSA-N 0 3 350.466 3.087 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c(Cl)ccc(C)c2C)CC1 ZINC000411233336 499714969 /nfs/dbraw/zinc/71/49/69/499714969.db2.gz XSEKQHWKHWIKSU-UHFFFAOYSA-N 0 3 363.889 3.052 20 30 FGEDHN C=CCC[C@@H](NCC(=O)N1CCC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC000411476672 499745613 /nfs/dbraw/zinc/74/56/13/499745613.db2.gz VEJFFTIBKMRJDC-RTBURBONSA-N 0 3 358.482 3.085 20 30 FGEDHN CO[C@@H]([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000414183599 499766583 /nfs/dbraw/zinc/76/65/83/499766583.db2.gz NIFJEFFZJMJQPZ-ZWOKBUDYSA-N 0 3 357.498 3.342 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(CCOCC2)[C@H]1C(C)C ZINC000414189108 499767253 /nfs/dbraw/zinc/76/72/53/499767253.db2.gz QZEIFGOQHDJBOC-PZJWPPBQSA-N 0 3 359.510 3.292 20 30 FGEDHN CCCN(CCN1CCCC1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411721237 499782856 /nfs/dbraw/zinc/78/28/56/499782856.db2.gz RXLKNLZVCPTJDO-GOSISDBHSA-N 0 3 374.504 3.269 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@]34CCOC4)sc2C1 ZINC000411764188 499787971 /nfs/dbraw/zinc/78/79/71/499787971.db2.gz DRCCRRFXUKINMU-XOBRGWDASA-N 0 3 373.522 3.328 20 30 FGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)CN1CCOCC1 ZINC000412089557 499822192 /nfs/dbraw/zinc/82/21/92/499822192.db2.gz IVAQXLXGFXJZOE-UHFFFAOYSA-N 0 3 354.416 3.100 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1F ZINC000412414761 499852579 /nfs/dbraw/zinc/85/25/79/499852579.db2.gz IEXAKUYNJGZZJN-ZWKOTPCHSA-N 0 3 367.424 3.380 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000414999959 499853406 /nfs/dbraw/zinc/85/34/06/499853406.db2.gz JRDGYQAHBASMMM-ZWKOTPCHSA-N 0 3 364.449 3.304 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H]2NCCc3ccccc32)cc1C#N ZINC000415309397 499885314 /nfs/dbraw/zinc/88/53/14/499885314.db2.gz SEJIMDVXHUINFG-IBGZPJMESA-N 0 3 364.449 3.354 20 30 FGEDHN CN1CCC[C@@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000570418793 506163848 /nfs/dbraw/zinc/16/38/48/506163848.db2.gz STVZCKWEVZMOFO-UXHICEINSA-N 0 3 360.461 3.224 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1cncs1 ZINC000412992668 499903112 /nfs/dbraw/zinc/90/31/12/499903112.db2.gz VRAJHMKDNIEQSN-UHFFFAOYSA-N 0 3 363.556 3.284 20 30 FGEDHN COc1cc(NC(=O)c2ccc(C#N)cc2C)ccc1OCCN(C)C ZINC000416345085 500022500 /nfs/dbraw/zinc/02/25/00/500022500.db2.gz WOBZSISHGPLOOR-UHFFFAOYSA-N 0 3 353.422 3.068 20 30 FGEDHN CCCN1CCN(c2ccccc2CNCc2ccc(C#N)s2)CC1 ZINC000421354553 500024510 /nfs/dbraw/zinc/02/45/10/500024510.db2.gz RYYSYQNMXYQNOG-UHFFFAOYSA-N 0 3 354.523 3.442 20 30 FGEDHN C=CCN1CC[C@H](N[C@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000429271615 500039314 /nfs/dbraw/zinc/03/93/14/500039314.db2.gz IEZHPIYPNOSDPD-HOTGVXAUSA-N 0 3 363.299 3.449 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000425415424 500097773 /nfs/dbraw/zinc/09/77/73/500097773.db2.gz JRJDUSFFCXSNJC-QGZVFWFLSA-N 0 3 350.466 3.393 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000425419984 500100051 /nfs/dbraw/zinc/10/00/51/500100051.db2.gz RLPKBQZSDFUVHO-HBMCJLEFSA-N 0 3 371.525 3.350 20 30 FGEDHN C=CCN(C)CCN(CC)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000429706612 500127086 /nfs/dbraw/zinc/12/70/86/500127086.db2.gz GPYBQTOOTUARHO-UHFFFAOYSA-N 0 3 369.263 3.032 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429718679 500130245 /nfs/dbraw/zinc/13/02/45/500130245.db2.gz SSZUCRYXEMFUKW-QGZVFWFLSA-N 0 3 365.481 3.068 20 30 FGEDHN COc1ccc(COC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425539297 500138709 /nfs/dbraw/zinc/13/87/09/500138709.db2.gz TZCGWYXHUKOUKH-UZLBHIALSA-N 0 3 354.450 3.137 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000425664752 500174429 /nfs/dbraw/zinc/17/44/29/500174429.db2.gz UUHXCCROFLXJAS-UWJYYQICSA-N 0 3 364.493 3.434 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425680784 500179883 /nfs/dbraw/zinc/17/98/83/500179883.db2.gz CTAOKHWGCPSICU-QGZVFWFLSA-N 0 3 372.513 3.150 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(C#N)s2)c1 ZINC000422211450 500234660 /nfs/dbraw/zinc/23/46/60/500234660.db2.gz CYLQESQIOOYLFD-UHFFFAOYSA-N 0 3 356.495 3.202 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000426145129 500241219 /nfs/dbraw/zinc/24/12/19/500241219.db2.gz YCEHMKQOTBABRY-UHFFFAOYSA-N 0 3 372.856 3.474 20 30 FGEDHN Cc1cscc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000426282925 500256441 /nfs/dbraw/zinc/25/64/41/500256441.db2.gz KXLGAVUQKYHUDY-UHFFFAOYSA-N 0 3 356.495 3.202 20 30 FGEDHN O=C(CN1CC[C@@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426461818 500275064 /nfs/dbraw/zinc/27/50/64/500275064.db2.gz PNGAXBXJGSLVTG-RDJZCZTQSA-N 0 3 350.384 3.048 20 30 FGEDHN CC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CC1(C)C ZINC000419319051 500352209 /nfs/dbraw/zinc/35/22/09/500352209.db2.gz ODRTVNJZKFRIAQ-IAGOWNOFSA-N 0 3 351.454 3.097 20 30 FGEDHN Cc1ncccc1OC[C@@H]1CCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000419400629 500361847 /nfs/dbraw/zinc/36/18/47/500361847.db2.gz MWGSGYBYYDSEBR-IBGZPJMESA-N 0 3 364.449 3.134 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCC2(C#N)CCC2)N(C)C)cc1 ZINC000419518193 500373980 /nfs/dbraw/zinc/37/39/80/500373980.db2.gz YGOCACIYCKLZMK-GOSISDBHSA-N 0 3 358.486 3.070 20 30 FGEDHN CN(C)CCN(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 ZINC000419629679 500386246 /nfs/dbraw/zinc/38/62/46/500386246.db2.gz CAWRLHOHWBQBJM-FQEVSTJZSA-N 0 3 354.498 3.451 20 30 FGEDHN C=CCC[C@H]1NC(=O)N(C[C@H](c2cccs2)N2CCC(C)CC2)C1=O ZINC000419929464 500407710 /nfs/dbraw/zinc/40/77/10/500407710.db2.gz VSBDGBJNGWPFOY-HZPDHXFCSA-N 0 3 361.511 3.408 20 30 FGEDHN C=CCCCCCN(C)C(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420054633 500417148 /nfs/dbraw/zinc/41/71/48/500417148.db2.gz LHSCIYSXWFOSSC-FQEVSTJZSA-N 0 3 367.493 3.161 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(C#N)s2)[C@H](C(F)(F)F)C1 ZINC000582354189 506194570 /nfs/dbraw/zinc/19/45/70/506194570.db2.gz RERMVNNQMRDTAF-CHWSQXEVSA-N 0 3 359.417 3.145 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000427942329 500448124 /nfs/dbraw/zinc/44/81/24/500448124.db2.gz UJYUKPHCRWTINB-SIKLNZKXSA-N 0 3 369.553 3.363 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000424104776 500453844 /nfs/dbraw/zinc/45/38/44/500453844.db2.gz UKEBPCPKFRTQJE-LSDHHAIUSA-N 0 3 350.260 3.134 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000424112155 500455212 /nfs/dbraw/zinc/45/52/12/500455212.db2.gz IYBSJOUGGKUNKQ-HXUWFJFHSA-N 0 3 363.461 3.316 20 30 FGEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cccc1C(=O)Nc1ccccc1 ZINC000424114394 500455900 /nfs/dbraw/zinc/45/59/00/500455900.db2.gz QUSGDAOUUUFEHZ-QGZVFWFLSA-N 0 3 350.422 3.207 20 30 FGEDHN CC[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(C(F)(F)F)c1 ZINC000424128192 500458227 /nfs/dbraw/zinc/45/82/27/500458227.db2.gz WHRSDMAFORGWDM-UKRRQHHQSA-N 0 3 357.376 3.000 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000424137098 500459287 /nfs/dbraw/zinc/45/92/87/500459287.db2.gz OKOYXHLTZASCHA-CYBMUJFWSA-N 0 3 354.376 3.265 20 30 FGEDHN CCc1sc(NC(=O)[C@@H](N)CCCC#N)nc1-c1ccc(OC)cc1 ZINC000424138887 500459473 /nfs/dbraw/zinc/45/94/73/500459473.db2.gz NDMYDNBMXODHFA-AWEZNQCLSA-N 0 3 358.467 3.341 20 30 FGEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1C(F)(F)F ZINC000424156112 500461128 /nfs/dbraw/zinc/46/11/28/500461128.db2.gz QIAYOXQLRDRQKK-JSGCOSHPSA-N 0 3 357.376 3.000 20 30 FGEDHN Cc1cc(CN)cc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c1 ZINC000424418666 500500569 /nfs/dbraw/zinc/50/05/69/500500569.db2.gz BXTHTZHOLFXPMS-UHFFFAOYSA-N 0 3 352.438 3.006 20 30 FGEDHN Cc1cccc(C)c1OCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428806158 500559796 /nfs/dbraw/zinc/55/97/96/500559796.db2.gz KBZDYRRZSVTSMX-IBGZPJMESA-N 0 3 351.450 3.492 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(NCCCN3CCCO[C@H](C)C3)c2c1 ZINC000432870840 500581251 /nfs/dbraw/zinc/58/12/51/500581251.db2.gz IMZSCCAPNBPHSF-QGZVFWFLSA-N 0 3 352.482 3.058 20 30 FGEDHN C[C@@H]1CN(CCCNc2ccc(Br)cc2C#N)CCCO1 ZINC000432878717 500582982 /nfs/dbraw/zinc/58/29/82/500582982.db2.gz NCMYDEBFMMFIRQ-CYBMUJFWSA-N 0 3 352.276 3.234 20 30 FGEDHN C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432922548 500591195 /nfs/dbraw/zinc/59/11/95/500591195.db2.gz AGIPYYAHTUJDBP-UHFFFAOYSA-N 0 3 350.509 3.187 20 30 FGEDHN C=CC[C@H]1N(C(=O)C(=O)Nc2ccccc2CCN(C)C)CCCC1(C)C ZINC000447420747 500603934 /nfs/dbraw/zinc/60/39/34/500603934.db2.gz CNUJFBGHPHCGBH-LJQANCHMSA-N 0 3 371.525 3.323 20 30 FGEDHN N#CCCC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000433025837 500608499 /nfs/dbraw/zinc/60/84/99/500608499.db2.gz BFNMJWBLEORENA-HXUWFJFHSA-N 0 3 367.474 3.357 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000433224696 500650528 /nfs/dbraw/zinc/65/05/28/500650528.db2.gz CBZCMCNDKDVLAB-YADHBBJMSA-N 0 3 372.472 3.168 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000433301388 500665889 /nfs/dbraw/zinc/66/58/89/500665889.db2.gz VJHFYBKNYQJHDO-GOSISDBHSA-N 0 3 369.490 3.442 20 30 FGEDHN CCCCN(C)C(=O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433304741 500667871 /nfs/dbraw/zinc/66/78/71/500667871.db2.gz OIWHPFHTOLFPIM-HXUWFJFHSA-N 0 3 369.509 3.256 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000437614566 500669406 /nfs/dbraw/zinc/66/94/06/500669406.db2.gz FMWDSUOKMBAYSI-PZJWPPBQSA-N 0 3 371.525 3.453 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000433350292 500678303 /nfs/dbraw/zinc/67/83/03/500678303.db2.gz BNGKDENSFHOKKK-GOSISDBHSA-N 0 3 372.428 3.062 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000433385638 500685013 /nfs/dbraw/zinc/68/50/13/500685013.db2.gz MPELHJKLXBHQQB-MRXNPFEDSA-N 0 3 353.491 3.453 20 30 FGEDHN C[C@@H](Cc1ccccc1F)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000437805702 500699330 /nfs/dbraw/zinc/69/93/30/500699330.db2.gz VFVHDJZARBGASV-MGPUTAFESA-N 0 3 351.425 3.414 20 30 FGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000448015527 500708673 /nfs/dbraw/zinc/70/86/73/500708673.db2.gz QTRGYARAGNWRBX-OAHLLOKOSA-N 0 3 366.412 3.402 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448253478 500739578 /nfs/dbraw/zinc/73/95/78/500739578.db2.gz AXDVGBVBQDZRPU-IBGZPJMESA-N 0 3 354.498 3.376 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000438195278 500753444 /nfs/dbraw/zinc/75/34/44/500753444.db2.gz BORAGRSKZILECQ-AABGKKOBSA-N 0 3 359.514 3.132 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(n2ccc(C)n2)CC1)C(C)C ZINC000433943442 500768973 /nfs/dbraw/zinc/76/89/73/500768973.db2.gz ZJQRKUAVCBMFSY-HXUWFJFHSA-N 0 3 373.545 3.237 20 30 FGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cccc(C#N)c1Br ZINC000448932038 500872657 /nfs/dbraw/zinc/87/26/57/500872657.db2.gz FYPRLGJMYGMNIN-BETUJISGSA-N 0 3 364.287 3.313 20 30 FGEDHN N#C[C@@]1(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC12CCCC2 ZINC000448956925 500880688 /nfs/dbraw/zinc/88/06/88/500880688.db2.gz SGHDBARXWICSKD-JOCHJYFZSA-N 0 3 367.493 3.251 20 30 FGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1CCN(c2cnccn2)CC1 ZINC000434734662 500885557 /nfs/dbraw/zinc/88/55/57/500885557.db2.gz GHAYJIQFVSCSJW-UHFFFAOYSA-N 0 3 373.407 3.050 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)c1ccccn1 ZINC000602580852 506222702 /nfs/dbraw/zinc/22/27/02/506222702.db2.gz IIQYAGBNXYUYBY-QUCCMNQESA-N 0 3 350.466 3.283 20 30 FGEDHN COc1cc(CNC[C@H]2CSCCN2Cc2ccccc2)ccc1C#N ZINC000440628794 501031023 /nfs/dbraw/zinc/03/10/23/501031023.db2.gz LDKQJDDYXYYGFQ-FQEVSTJZSA-N 0 3 367.518 3.274 20 30 FGEDHN COc1cc(CN[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000440631752 501031738 /nfs/dbraw/zinc/03/17/38/501031738.db2.gz AWLFRWBPIYGGAR-AZUAARDMSA-N 0 3 357.404 3.380 20 30 FGEDHN COc1cc(CNc2ccc(N3CCN(C)CC3)cc2C)ccc1C#N ZINC000440806426 501050531 /nfs/dbraw/zinc/05/05/31/501050531.db2.gz RGWOWXKYJAUBDR-UHFFFAOYSA-N 0 3 350.466 3.239 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(F)ccc(F)c1OC)C(C)C ZINC000446112204 501076151 /nfs/dbraw/zinc/07/61/51/501076151.db2.gz FGNBPHDMVMPVJZ-INIZCTEOSA-N 0 3 352.425 3.402 20 30 FGEDHN C=CCOc1ccc(CC(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000449936247 501130858 /nfs/dbraw/zinc/13/08/58/501130858.db2.gz VCUFJPLGLXNANP-UHFFFAOYSA-N 0 3 364.489 3.009 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1OC ZINC000446601701 501140365 /nfs/dbraw/zinc/14/03/65/501140365.db2.gz YDUBJJRABZYKGM-UHFFFAOYSA-N 0 3 358.438 3.057 20 30 FGEDHN CSc1ccc([C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000450544595 501149975 /nfs/dbraw/zinc/14/99/75/501149975.db2.gz PVPSHEXPVKBYFH-INIZCTEOSA-N 0 3 357.439 3.298 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000447079639 501202230 /nfs/dbraw/zinc/20/22/30/501202230.db2.gz QBSQFHOYXULMLK-XPKDYRNWSA-N 0 3 362.271 3.226 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC2(C)C)cc1 ZINC000455264534 501258365 /nfs/dbraw/zinc/25/83/65/501258365.db2.gz ZUUYNDCXNCYKMX-UONOGXRCSA-N 0 3 363.483 3.320 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000451504665 501308139 /nfs/dbraw/zinc/30/81/39/501308139.db2.gz SCERGWBXMHJYPD-NRSPTQNISA-N 0 3 367.493 3.097 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453424741 501328772 /nfs/dbraw/zinc/32/87/72/501328772.db2.gz JWELDBQBVTYRMV-SFHVURJKSA-N 0 3 369.513 3.006 20 30 FGEDHN C=CCn1c(COCC)nnc1N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000453454991 501336594 /nfs/dbraw/zinc/33/65/94/501336594.db2.gz XINVCMWLPXTXMB-UHFFFAOYSA-N 0 3 363.550 3.337 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(C2CCCC2)CC1 ZINC000453470766 501340738 /nfs/dbraw/zinc/34/07/38/501340738.db2.gz QZYCHOHIVDLFHZ-WMZOPIPTSA-N 0 3 359.518 3.159 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000451655636 501345106 /nfs/dbraw/zinc/34/51/06/501345106.db2.gz YSAFGGNXTIFUHF-KURKYZTESA-N 0 3 350.890 3.430 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@]4(CCSC4)C3)C2=O)cc1 ZINC000451977319 501412225 /nfs/dbraw/zinc/41/22/25/501412225.db2.gz NGEWUVDPQDICDR-QUCCMNQESA-N 0 3 355.507 3.273 20 30 FGEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452024868 501420224 /nfs/dbraw/zinc/42/02/24/501420224.db2.gz ZOXCDLIRPHLMNV-HZPDHXFCSA-N 0 3 361.511 3.374 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000452113957 501438033 /nfs/dbraw/zinc/43/80/33/501438033.db2.gz JBEHZISZBJEPCM-QGZVFWFLSA-N 0 3 352.482 3.152 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000456427090 501523550 /nfs/dbraw/zinc/52/35/50/501523550.db2.gz KRAUTZBNGUGIBX-HOCLYGCPSA-N 0 3 369.346 3.462 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000456478255 501533950 /nfs/dbraw/zinc/53/39/50/501533950.db2.gz NLZABUXFTQPADN-ICSRJNTNSA-N 0 3 352.409 3.498 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2cc(F)cc(OC)c2)CC1 ZINC000454458166 501550365 /nfs/dbraw/zinc/55/03/65/501550365.db2.gz FXLQVHSGJIOMST-HNNXBMFYSA-N 0 3 363.477 3.105 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccc(F)c(Cl)c2)CC1 ZINC000454462248 501550741 /nfs/dbraw/zinc/55/07/41/501550741.db2.gz KINQCEUYLMBZGN-UHFFFAOYSA-N 0 3 369.868 3.198 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000452829779 501569709 /nfs/dbraw/zinc/56/97/09/501569709.db2.gz YXWBIOWIGTVRRE-IBGZPJMESA-N 0 3 361.445 3.049 20 30 FGEDHN CCOc1cccc(CN(CCO)C(=O)C(C#N)CCc2ccccc2)c1 ZINC000456972365 501628048 /nfs/dbraw/zinc/62/80/48/501628048.db2.gz XFYSCAFFWAUQQP-FQEVSTJZSA-N 0 3 366.461 3.179 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000459486494 501662048 /nfs/dbraw/zinc/66/20/48/501662048.db2.gz UYFFURAMFBWPGS-ULQDDVLXSA-N 0 3 374.554 3.291 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000459577548 501680315 /nfs/dbraw/zinc/68/03/15/501680315.db2.gz GWEPEWKXBIZVNK-BBRMVZONSA-N 0 3 369.494 3.498 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000457426509 501696147 /nfs/dbraw/zinc/69/61/47/501696147.db2.gz SBXBPCXHMXXIEH-PMACEKPBSA-N 0 3 356.510 3.311 20 30 FGEDHN Cc1c(Cl)cncc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000457494202 501709954 /nfs/dbraw/zinc/70/99/54/501709954.db2.gz GJQZEAVRNXYIMU-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C(C)(C)C)cc1 ZINC000455244304 501715136 /nfs/dbraw/zinc/71/51/36/501715136.db2.gz BGWYGVJSVMMJFL-LBPRGKRZSA-N 0 3 351.472 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)CC1 ZINC000457545788 501719295 /nfs/dbraw/zinc/71/92/95/501719295.db2.gz RXODDWGGAFVWIP-UHFFFAOYSA-N 0 3 358.482 3.331 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000460050248 501725527 /nfs/dbraw/zinc/72/55/27/501725527.db2.gz IJGJAKMYCJLWRZ-XJKSGUPXSA-N 0 3 354.841 3.172 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000463532500 501752990 /nfs/dbraw/zinc/75/29/90/501752990.db2.gz NAIGWPIUOQXOCG-SFHVURJKSA-N 0 3 368.477 3.163 20 30 FGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)CC3 ZINC000485275009 501774554 /nfs/dbraw/zinc/77/45/54/501774554.db2.gz SPHFYTFUBSZYIS-HRAATJIYSA-N 0 3 358.445 3.022 20 30 FGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460385127 501811235 /nfs/dbraw/zinc/81/12/35/501811235.db2.gz FSZPCUIAMQYPFZ-DLBZAZTESA-N 0 3 361.534 3.057 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481619799 501834543 /nfs/dbraw/zinc/83/45/43/501834543.db2.gz KTWOOHHWJKPYGZ-UHFFFAOYSA-N 0 3 354.425 3.146 20 30 FGEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(CC)CC ZINC000470976741 501879816 /nfs/dbraw/zinc/87/98/16/501879816.db2.gz TUWVPLOPUBGRFM-GBESFXJTSA-N 0 3 353.466 3.341 20 30 FGEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470981423 501881291 /nfs/dbraw/zinc/88/12/91/501881291.db2.gz CPAKYZZUOLMMER-GUDVDZBRSA-N 0 3 353.466 3.198 20 30 FGEDHN N#CCCCCCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000588375910 506281664 /nfs/dbraw/zinc/28/16/64/506281664.db2.gz SAGOXTAQWSLKRE-UHFFFAOYSA-N 0 3 361.461 3.259 20 30 FGEDHN Cc1nn(-c2ccccc2)cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471104656 501921227 /nfs/dbraw/zinc/92/12/27/501921227.db2.gz RKVWCFZDZKFPCX-LJQANCHMSA-N 0 3 369.428 3.051 20 30 FGEDHN CC(C)[C@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464313896 501951683 /nfs/dbraw/zinc/95/16/83/501951683.db2.gz UVQWMVXZIMJUNA-DOTOQJQBSA-N 0 3 353.388 3.105 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2[nH]ccc2s1 ZINC000474910864 501988465 /nfs/dbraw/zinc/98/84/65/501988465.db2.gz WPPYFHZGKAESST-UHFFFAOYSA-N 0 3 352.463 3.305 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000468253701 502006622 /nfs/dbraw/zinc/00/66/22/502006622.db2.gz YCJVMIXREWHKDN-UHFFFAOYSA-N 0 3 360.417 3.205 20 30 FGEDHN CN1C[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000592879742 506288277 /nfs/dbraw/zinc/28/82/77/506288277.db2.gz BZTXYHCADBJSAT-AEFFLSMTSA-N 0 3 353.853 3.287 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000475058590 502040349 /nfs/dbraw/zinc/04/03/49/502040349.db2.gz ZQIHQGRYFUPIKI-UTKZUKDTSA-N 0 3 362.477 3.268 20 30 FGEDHN CCCCO[C@@H]1C[C@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000482654671 502141008 /nfs/dbraw/zinc/14/10/08/502141008.db2.gz GHOCVTZWAWEEBA-CEXWTWQISA-N 0 3 355.482 3.237 20 30 FGEDHN N#C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000486432407 502152706 /nfs/dbraw/zinc/15/27/06/502152706.db2.gz KCHYZUSYNWGNJM-INIZCTEOSA-N 0 3 351.372 3.261 20 30 FGEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479317693 502223588 /nfs/dbraw/zinc/22/35/88/502223588.db2.gz RZIOHKYHZZRETF-ICSRJNTNSA-N 0 3 351.425 3.419 20 30 FGEDHN CO[C@]1(C)C[C@H](N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000465401111 502252262 /nfs/dbraw/zinc/25/22/62/502252262.db2.gz DGOHQCILTDYFBY-VZMUKZCBSA-N 0 3 361.511 3.229 20 30 FGEDHN CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000465411193 502254212 /nfs/dbraw/zinc/25/42/12/502254212.db2.gz VSLIUEUTHWABLT-WIBUTAKZSA-N 0 3 361.461 3.254 20 30 FGEDHN COc1cc(CN2CC[C@](C)(O)C2)ccc1OCc1cccc(C#N)c1 ZINC000483056387 502258876 /nfs/dbraw/zinc/25/88/76/502258876.db2.gz KONRTEFGUZDOQZ-NRFANRHFSA-N 0 3 352.434 3.103 20 30 FGEDHN COC[C@@H](Cc1ccccc1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000475728532 502268624 /nfs/dbraw/zinc/26/86/24/502268624.db2.gz UCBJMZMQPRXZEW-HXUWFJFHSA-N 0 3 351.450 3.076 20 30 FGEDHN COCCSc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000469036767 502273126 /nfs/dbraw/zinc/27/31/26/502273126.db2.gz PSPXWODMNJHVFN-HUUCEWRRSA-N 0 3 361.511 3.027 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@@H]1c1ccccc1)C(C)C ZINC000465537722 502297101 /nfs/dbraw/zinc/29/71/01/502297101.db2.gz DJFYAEFQRVPQPE-LEWJYISDSA-N 0 3 371.525 3.468 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465539199 502298787 /nfs/dbraw/zinc/29/87/87/502298787.db2.gz JBTCHRBCEVQPFU-HOJAQTOUSA-N 0 3 354.498 3.200 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000465545455 502300336 /nfs/dbraw/zinc/30/03/36/502300336.db2.gz NJTDFTLBDGMQOQ-WJFTUGDTSA-N 0 3 363.546 3.188 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000462243624 502365043 /nfs/dbraw/zinc/36/50/43/502365043.db2.gz BOBREUYUFCJDIC-INIZCTEOSA-N 0 3 353.441 3.391 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000462269935 502374934 /nfs/dbraw/zinc/37/49/34/502374934.db2.gz MYCGSEAMFADVTC-KUHUBIRLSA-N 0 3 352.413 3.339 20 30 FGEDHN CN(C)C1(CNC(=O)C[C@@H](CC#N)c2ccccc2)Cc2ccccc2C1 ZINC000476135264 502395511 /nfs/dbraw/zinc/39/55/11/502395511.db2.gz GACIJUFNDFTEKI-LJQANCHMSA-N 0 3 361.489 3.289 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2OC)CC1 ZINC000465858032 502404635 /nfs/dbraw/zinc/40/46/35/502404635.db2.gz IEHODNVLGHQUKC-CTNGQTDRSA-N 0 3 357.498 3.065 20 30 FGEDHN CN(C)CCOC1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000476210400 502415396 /nfs/dbraw/zinc/41/53/96/502415396.db2.gz XAMSUXCEWLAYHX-UHFFFAOYSA-N 0 3 358.873 3.307 20 30 FGEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469458476 502425180 /nfs/dbraw/zinc/42/51/80/502425180.db2.gz FZZXTOMHZXLLDT-APWZRJJASA-N 0 3 352.482 3.357 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CCN(C)C2CC2)c1C#N ZINC000473111349 502520774 /nfs/dbraw/zinc/52/07/74/502520774.db2.gz KCQQNTKSOODVOU-UHFFFAOYSA-N 0 3 371.529 3.056 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000469734242 502523238 /nfs/dbraw/zinc/52/32/38/502523238.db2.gz OFVBIEUZCDIRGH-WOJBJXKFSA-N 0 3 357.498 3.137 20 30 FGEDHN C=CCC[C@H](NCC(=O)Nc1cccc(C(=O)OC)n1)c1ccccc1 ZINC000469786904 502545780 /nfs/dbraw/zinc/54/57/80/502545780.db2.gz QEGHCKOIHLJEOL-INIZCTEOSA-N 0 3 353.422 3.104 20 30 FGEDHN Cc1cc(CNCc2cc(C#N)n(C)c2)ccc1I ZINC000466365732 502548851 /nfs/dbraw/zinc/54/88/51/502548851.db2.gz ZBIFMBKJWRSDCG-UHFFFAOYSA-N 0 3 365.218 3.100 20 30 FGEDHN COc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(Br)c1[O-] ZINC000466411753 502562856 /nfs/dbraw/zinc/56/28/56/502562856.db2.gz GEXQTTMRXCQZJW-UHFFFAOYSA-N 0 3 361.239 3.367 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)NCC#Cc1ccccc1)C1CC1 ZINC000476723180 502572611 /nfs/dbraw/zinc/57/26/11/502572611.db2.gz VMTZIWSZFWVYGP-JOCHJYFZSA-N 0 3 361.489 3.248 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCCCc2ccc(F)c(F)c2)CC1 ZINC000477042694 502658165 /nfs/dbraw/zinc/65/81/65/502658165.db2.gz JSGCEWIUVPFYIK-UHFFFAOYSA-N 0 3 351.441 3.237 20 30 FGEDHN CN(CCCOCc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000466766760 502670641 /nfs/dbraw/zinc/67/06/41/502670641.db2.gz NQCLVBSZAWWYHJ-OAQYLSRUSA-N 0 3 361.445 3.306 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466778878 502674923 /nfs/dbraw/zinc/67/49/23/502674923.db2.gz QZGSIQWTUOSWQH-JXFKEZNVSA-N 0 3 354.498 3.209 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858300 506330075 /nfs/dbraw/zinc/33/00/75/506330075.db2.gz AARGYKXBKWUYKV-IAGOWNOFSA-N 0 3 350.466 3.087 20 30 FGEDHN COc1cnccc1N1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000481031098 502734164 /nfs/dbraw/zinc/73/41/64/502734164.db2.gz BOQBLDFBPDNIMD-UHFFFAOYSA-N 0 3 362.355 3.307 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC(C)(C)C2)cc1 ZINC000481030041 502734262 /nfs/dbraw/zinc/73/42/62/502734262.db2.gz DJEBVCZVDYCESV-HIFRSBDPSA-N 0 3 363.483 3.415 20 30 FGEDHN CCCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC(C)(C)O ZINC000470364222 502751080 /nfs/dbraw/zinc/75/10/80/502751080.db2.gz SGGRKRLZDJMHHV-UHFFFAOYSA-N 0 3 365.905 3.378 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463437314 502803864 /nfs/dbraw/zinc/80/38/64/502803864.db2.gz PDYQTXYEACMZHA-JOCHJYFZSA-N 0 3 350.462 3.254 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000495440515 502838856 /nfs/dbraw/zinc/83/88/56/502838856.db2.gz UCASQTSYEMOYSL-GOSISDBHSA-N 0 3 364.449 3.353 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H](c3ccc4cccnc4n3)C2)c1 ZINC000602887481 506337704 /nfs/dbraw/zinc/33/77/04/506337704.db2.gz LMMSLYGHNOMVAE-SFHVURJKSA-N 0 3 371.444 3.320 20 30 FGEDHN COC(=O)C[C@](C)(NCCOc1ccccc1C#N)c1cccc(F)c1 ZINC000513134375 502861166 /nfs/dbraw/zinc/86/11/66/502861166.db2.gz XNIJVGJYZGIHBW-FQEVSTJZSA-N 0 3 356.397 3.144 20 30 FGEDHN CNC(=O)CC[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000513178204 502869950 /nfs/dbraw/zinc/86/99/50/502869950.db2.gz MDYBPGOQSMOLOD-QGZVFWFLSA-N 0 3 352.400 3.438 20 30 FGEDHN CC[C@@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCc2ccccc2C1 ZINC000505349400 502892912 /nfs/dbraw/zinc/89/29/12/502892912.db2.gz KRHUGVVRXRCKAS-IBGZPJMESA-N 0 3 365.452 3.193 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000509608264 502947000 /nfs/dbraw/zinc/94/70/00/502947000.db2.gz BJWILIVGXNTZNX-YJBOKZPZSA-N 0 3 354.454 3.422 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC#Cc1ccccc1 ZINC000489401388 502948557 /nfs/dbraw/zinc/94/85/57/502948557.db2.gz WRRAABMFVUHOOG-KNQAVFIVSA-N 0 3 361.489 3.248 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)N(C)C ZINC000510512594 503129718 /nfs/dbraw/zinc/12/97/18/503129718.db2.gz PHWPOBSUGBKOFA-ZNLUXHQJSA-N 0 3 374.488 3.357 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000498363641 503169361 /nfs/dbraw/zinc/16/93/61/503169361.db2.gz KVNMOXXDDQYGMQ-NHCUHLMSSA-N 0 3 363.461 3.142 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000490832681 503233579 /nfs/dbraw/zinc/23/35/79/503233579.db2.gz BCSUPLDEXBFKJU-UHFFFAOYSA-N 0 3 357.454 3.483 20 30 FGEDHN COc1cc(CNC[C@@H](O)COc2cccc3ccccc32)ccc1C#N ZINC000514989666 503243524 /nfs/dbraw/zinc/24/35/24/503243524.db2.gz KEQPZXQCMOEGLG-LJQANCHMSA-N 0 3 362.429 3.250 20 30 FGEDHN CN(CCC(=O)Nc1sccc1C#N)CCc1ccccc1[N+](=O)[O-] ZINC000511064083 503244990 /nfs/dbraw/zinc/24/49/90/503244990.db2.gz JDPZAZGJSZFAIK-UHFFFAOYSA-N 0 3 358.423 3.031 20 30 FGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2n[nH]cc2c1 ZINC000507214236 503252043 /nfs/dbraw/zinc/25/20/43/503252043.db2.gz QEMYCPQLGWURIA-XOBRGWDASA-N 0 3 359.433 3.281 20 30 FGEDHN CC(C)(NCCCOc1cccc(C#N)c1)C(=O)NCC1CCCCC1 ZINC000502743923 503261495 /nfs/dbraw/zinc/26/14/95/503261495.db2.gz NIOCQEVTHPKBMY-UHFFFAOYSA-N 0 3 357.498 3.392 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000507702816 503350334 /nfs/dbraw/zinc/35/03/34/503350334.db2.gz RSRDVZFNJKWLIO-UHFFFAOYSA-N 0 3 367.424 3.308 20 30 FGEDHN Cc1cccc(S(=O)(=O)N(C)C(C)(C)CN2CCCCCC2)c1C#N ZINC000492287585 503363383 /nfs/dbraw/zinc/36/33/83/503363383.db2.gz AAVHTQBGPIPEQV-UHFFFAOYSA-N 0 3 363.527 3.142 20 30 FGEDHN Cn1cc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000499253439 503365631 /nfs/dbraw/zinc/36/56/31/503365631.db2.gz HYYHNVCNDXKPEK-RBUKOAKNSA-N 0 3 352.482 3.188 20 30 FGEDHN N#Cc1cccc(NC(=O)CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938758 506367965 /nfs/dbraw/zinc/36/79/65/506367965.db2.gz WHAGMTCGSZUXMY-NRFANRHFSA-N 0 3 362.477 3.314 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCc1ccc(C#N)cc1 ZINC000499355904 503386441 /nfs/dbraw/zinc/38/64/41/503386441.db2.gz GZVGFULUUZNEMI-UHFFFAOYSA-N 0 3 371.431 3.359 20 30 FGEDHN C[C@@H]1C[C@]1(NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000503404260 503402019 /nfs/dbraw/zinc/40/20/19/503402019.db2.gz FZVAHYXPNFYTJJ-HEFCMCLBSA-N 0 3 356.853 3.476 20 30 FGEDHN CN(C)CCn1nccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000516107321 503447371 /nfs/dbraw/zinc/44/73/71/503447371.db2.gz XCIUQOOVTQDLRY-UHFFFAOYSA-N 0 3 374.448 3.312 20 30 FGEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](C)N(C)C)cc1 ZINC000508238473 503460257 /nfs/dbraw/zinc/46/02/57/503460257.db2.gz BSTNKWIZLDKJDO-CQSZACIVSA-N 0 3 368.437 3.431 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000508238810 503461067 /nfs/dbraw/zinc/46/10/67/503461067.db2.gz XETAGYKSYOIAQO-HXUWFJFHSA-N 0 3 366.465 3.389 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CSC[C@H]2C)ccc1Cl ZINC000512147956 503469747 /nfs/dbraw/zinc/46/97/47/503469747.db2.gz MNIKFQJRZGPLMX-CJNGLKHVSA-N 0 3 351.903 3.236 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccco1 ZINC000516334866 503496643 /nfs/dbraw/zinc/49/66/43/503496643.db2.gz RUTYAGLXWYVEBK-HDMKZQKVSA-N 0 3 355.438 3.164 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCCc2cccc(C#N)c2)[C@H](C(F)(F)F)C1 ZINC000512328322 503520410 /nfs/dbraw/zinc/52/04/10/503520410.db2.gz MIQFGDLWBZASSK-HZPDHXFCSA-N 0 3 367.415 3.126 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494497890 503552624 /nfs/dbraw/zinc/55/26/24/503552624.db2.gz SWOOWZLPLSCOEA-CNDLSXRNSA-N 0 3 363.889 3.203 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000494684111 503591570 /nfs/dbraw/zinc/59/15/70/503591570.db2.gz HTQGZRLTFZSPOO-LEWJYISDSA-N 0 3 370.541 3.115 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000512675586 503609888 /nfs/dbraw/zinc/60/98/88/503609888.db2.gz OLPPSAHJKAEBKA-UHFFFAOYSA-N 0 3 363.461 3.271 20 30 FGEDHN C=C(CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000512676496 503610255 /nfs/dbraw/zinc/61/02/55/503610255.db2.gz CWRSDXDCKTYQRH-OALUTQOASA-N 0 3 371.525 3.231 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000494869970 503626522 /nfs/dbraw/zinc/62/65/22/503626522.db2.gz GIEZUNFBGDZXHF-JTQLQIEISA-N 0 3 362.421 3.173 20 30 FGEDHN CCN(C(=O)c1ncc(C#N)cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546209140 503671043 /nfs/dbraw/zinc/67/10/43/503671043.db2.gz YFNOJLPHVAAEDG-KRWDZBQOSA-N 0 3 368.868 3.343 20 30 FGEDHN N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3CCN3C3CCCCC3)CC2)c1 ZINC000529715174 503673302 /nfs/dbraw/zinc/67/33/02/503673302.db2.gz CJJOQWSSTFUCSW-IBGZPJMESA-N 0 3 355.457 3.252 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N=c2[nH]n(C3CCCCC3)cc2C)CC1 ZINC000543327082 503725583 /nfs/dbraw/zinc/72/55/83/503725583.db2.gz NTGXNZFWBPHDHD-UHFFFAOYSA-N 0 3 359.518 3.281 20 30 FGEDHN COc1ccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000529836367 503726664 /nfs/dbraw/zinc/72/66/64/503726664.db2.gz SMYNBGZNQJUTQU-WMLDXEAASA-N 0 3 363.417 3.135 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000517441789 503746321 /nfs/dbraw/zinc/74/63/21/503746321.db2.gz FZMBLKJHZUOENP-IFXJQAMLSA-N 0 3 352.413 3.339 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncc(-c3ccccc3)o2)cc1 ZINC000527450314 503792778 /nfs/dbraw/zinc/79/27/78/503792778.db2.gz WVRWRGHYLZKZLG-SFHVURJKSA-N 0 3 356.385 3.212 20 30 FGEDHN Cc1nn(-c2ccncc2)cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000527531054 503828347 /nfs/dbraw/zinc/82/83/47/503828347.db2.gz IHQAIPIYAQWORU-UHFFFAOYSA-N 0 3 373.460 3.491 20 30 FGEDHN Cc1ccc([C@@H](CNCc2ccc(C#N)cc2F)N2CCOCC2)cc1 ZINC000533448532 503850971 /nfs/dbraw/zinc/85/09/71/503850971.db2.gz RHRCYZZQNFLMNK-OAQYLSRUSA-N 0 3 353.441 3.169 20 30 FGEDHN N#Cc1ccc(CNC(=O)CNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000533511061 503869519 /nfs/dbraw/zinc/86/95/19/503869519.db2.gz DMGISNYGJACXHX-UHFFFAOYSA-N 0 3 351.425 3.373 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N([C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530210659 503878228 /nfs/dbraw/zinc/87/82/28/503878228.db2.gz HEXHBXXPNROBHL-LSDHHAIUSA-N 0 3 370.280 3.483 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000533539664 503882426 /nfs/dbraw/zinc/88/24/26/503882426.db2.gz AVHNPRBAVXBMFR-KURKYZTESA-N 0 3 373.472 3.209 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000533545935 503882966 /nfs/dbraw/zinc/88/29/66/503882966.db2.gz LSLAZABCMWVECC-XUVXKRRUSA-N 0 3 369.509 3.297 20 30 FGEDHN C=CCOc1cccc(CNc2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000527765313 503932892 /nfs/dbraw/zinc/93/28/92/503932892.db2.gz VNPDWPPRWWKFLO-UHFFFAOYSA-N 0 3 353.466 3.155 20 30 FGEDHN CN(CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000540929421 503942515 /nfs/dbraw/zinc/94/25/15/503942515.db2.gz VYVCXCYXPGOZJG-UHFFFAOYSA-N 0 3 361.367 3.095 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000537615180 503975528 /nfs/dbraw/zinc/97/55/28/503975528.db2.gz WERVLJSZYPFQIS-QZTJIDSGSA-N 0 3 359.477 3.301 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cnc(OCC3CC3)c(Cl)c2)nc(C)n1 ZINC000544150296 504028327 /nfs/dbraw/zinc/02/83/27/504028327.db2.gz YFYNNTIEIMEQGG-CQSZACIVSA-N 0 3 356.813 3.421 20 30 FGEDHN COC(=O)c1ccc(N2CCN(Cc3ccc(CC#N)cc3)[C@@H](C)C2)cc1 ZINC000541272235 504068566 /nfs/dbraw/zinc/06/85/66/504068566.db2.gz PXNADDLJEKQULU-KRWDZBQOSA-N 0 3 363.461 3.250 20 30 FGEDHN COC[C@]1(CN[C@@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000519036812 504125108 /nfs/dbraw/zinc/12/51/08/504125108.db2.gz HXIWAYRPZGUCOQ-BTYIYWSLSA-N 0 3 354.425 3.463 20 30 FGEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc2ccccc2s1 ZINC000538097523 504131899 /nfs/dbraw/zinc/13/18/99/504131899.db2.gz IRRXAJDIPZHCPY-LBPRGKRZSA-N 0 3 351.387 3.329 20 30 FGEDHN CCOC(=O)C1(CNCc2cn(CCC#N)nc2-c2ccccc2)CCC1 ZINC000541554997 504175494 /nfs/dbraw/zinc/17/54/94/504175494.db2.gz GEHCIJKWTFLXIJ-UHFFFAOYSA-N 0 3 366.465 3.287 20 30 FGEDHN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000538386955 504229460 /nfs/dbraw/zinc/22/94/60/504229460.db2.gz GKKZNVRCQOKKAO-IQGLISFBSA-N 0 3 354.475 3.155 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](COc1ccccc1F)C(C)(C)C ZINC000538390020 504230613 /nfs/dbraw/zinc/23/06/13/504230613.db2.gz MXSHSLMJSIPHDI-XLIONFOSSA-N 0 3 363.477 3.263 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CNCc2cccc3cc[nH]c32)c(OC)c1 ZINC000519595407 504267048 /nfs/dbraw/zinc/26/70/48/504267048.db2.gz NVKMCXUJIRQICU-IBGZPJMESA-N 0 3 366.461 3.435 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1cccs1 ZINC000541969041 504318714 /nfs/dbraw/zinc/31/87/14/504318714.db2.gz YEXJZMSRPHIQAG-FUHWJXTLSA-N 0 3 360.527 3.466 20 30 FGEDHN C=CCn1c(C)nnc1N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000519756046 504328814 /nfs/dbraw/zinc/32/88/14/504328814.db2.gz QRQBOXAFMMPESV-NRFANRHFSA-N 0 3 351.498 3.265 20 30 FGEDHN C[C@H]1CCCC[C@@H]1N(C)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778846 504376840 /nfs/dbraw/zinc/37/68/40/504376840.db2.gz NQXZJGVOWNRAOB-PXNSSMCTSA-N 0 3 369.509 3.191 20 30 FGEDHN C[C@H]1CCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000519971390 504391928 /nfs/dbraw/zinc/39/19/28/504391928.db2.gz OXDQUQMIYBSEPN-PXNSSMCTSA-N 0 3 356.514 3.458 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1Cl ZINC000548304925 504393084 /nfs/dbraw/zinc/39/30/84/504393084.db2.gz HPLSCKDCKKHNNK-UHFFFAOYSA-N 0 3 369.852 3.421 20 30 FGEDHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000539082856 504467410 /nfs/dbraw/zinc/46/74/10/504467410.db2.gz BHJMLJNOXNEQKS-CQSZACIVSA-N 0 3 353.422 3.255 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000528962702 504471604 /nfs/dbraw/zinc/47/16/04/504471604.db2.gz ICEGDROPYNNCGK-CQSZACIVSA-N 0 3 364.396 3.298 20 30 FGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545518845 504513795 /nfs/dbraw/zinc/51/37/95/504513795.db2.gz AEDJUJOJPOWHOU-NRFANRHFSA-N 0 3 362.477 3.093 20 30 FGEDHN CC(C)CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000520557433 504528153 /nfs/dbraw/zinc/52/81/53/504528153.db2.gz OVJJCJBAMGOENU-MRXNPFEDSA-N 0 3 351.516 3.167 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000520686705 504556156 /nfs/dbraw/zinc/55/61/56/504556156.db2.gz HOVWGNZQIIYNPX-UHFFFAOYSA-N 0 3 352.482 3.376 20 30 FGEDHN C=CCCOCCCCC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539397207 504557007 /nfs/dbraw/zinc/55/70/07/504557007.db2.gz VVQVENWEWZMXCJ-RTBURBONSA-N 0 3 366.546 3.097 20 30 FGEDHN N#CCC1(CNC[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000520799121 504585121 /nfs/dbraw/zinc/58/51/21/504585121.db2.gz FSPYLLARPNGZRI-GFCCVEGCSA-N 0 3 373.678 3.126 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)o1 ZINC000539511030 504594467 /nfs/dbraw/zinc/59/44/67/504594467.db2.gz VDVGWZNWUYWLPF-GFCCVEGCSA-N 0 3 351.328 3.418 20 30 FGEDHN N#Cc1ccccc1Oc1ccc(NC(=O)NCCNc2ccncc2)cc1 ZINC000536017707 504610198 /nfs/dbraw/zinc/61/01/98/504610198.db2.gz NDMMLTQVOAGJPC-UHFFFAOYSA-N 0 3 373.416 3.401 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(c3ccccc3)CCCC2)c1 ZINC000548908215 504614574 /nfs/dbraw/zinc/61/45/74/504614574.db2.gz LVHUKDNIQOYLTO-UHFFFAOYSA-N 0 3 368.502 3.434 20 30 FGEDHN CC(C)[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000548908217 504614983 /nfs/dbraw/zinc/61/49/83/504614983.db2.gz LZKVXTADLQFIQF-FQEVSTJZSA-N 0 3 356.491 3.361 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CCC(CC#N)CC1)c1cccc(OC)c1 ZINC000542847883 504633831 /nfs/dbraw/zinc/63/38/31/504633831.db2.gz VMXSAIHMDFGMOZ-FQEVSTJZSA-N 0 3 372.513 3.413 20 30 FGEDHN C[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000532571845 504695628 /nfs/dbraw/zinc/69/56/28/504695628.db2.gz HTKPZXLRVFLDGP-GJZGRUSLSA-N 0 3 352.400 3.294 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNCc2ccc(C#N)cc2F)CC1 ZINC000532587974 504703133 /nfs/dbraw/zinc/70/31/33/504703133.db2.gz HWTTYJAOWCBCQP-UHFFFAOYSA-N 0 3 366.484 3.125 20 30 FGEDHN C=CCN(CCOC)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549201358 504722758 /nfs/dbraw/zinc/72/27/58/504722758.db2.gz IXMNNYLXWXYSAE-IBGZPJMESA-N 0 3 359.514 3.131 20 30 FGEDHN CN(C[C@H]1COc2ccccc2O1)C(=O)C(C#N)CCc1ccccc1 ZINC000539935648 504743089 /nfs/dbraw/zinc/74/30/89/504743089.db2.gz PARGRPXXBGVVTM-MSOLQXFVSA-N 0 3 350.418 3.057 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(CCC(C)C)cc2)CC1 ZINC000552940382 504791219 /nfs/dbraw/zinc/79/12/19/504791219.db2.gz VBZOVGQOEKEYJD-UHFFFAOYSA-N 0 3 371.525 3.370 20 30 FGEDHN CC(C)N1CCC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000562374275 504798523 /nfs/dbraw/zinc/79/85/23/504798523.db2.gz SMVOYLUJFNUBBJ-GOSISDBHSA-N 0 3 365.481 3.066 20 30 FGEDHN N#Cc1ccc(OCCN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000565173325 504816440 /nfs/dbraw/zinc/81/64/40/504816440.db2.gz SYGDSNPFYRZQKB-MXVIHJGJSA-N 0 3 366.461 3.448 20 30 FGEDHN N#Cc1ccc(NC(=O)CNC2(Cc3cccc(F)c3)CCOCC2)cc1 ZINC000559334163 504838055 /nfs/dbraw/zinc/83/80/55/504838055.db2.gz MNIJKWAWKBBYGU-UHFFFAOYSA-N 0 3 367.424 3.017 20 30 FGEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549608401 504858571 /nfs/dbraw/zinc/85/85/71/504858571.db2.gz ZQMKVEGAZRHFSZ-JHJVBQTASA-N 0 3 368.403 3.068 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000549654657 504868603 /nfs/dbraw/zinc/86/86/03/504868603.db2.gz BAZPVGGXVFNINV-JLAWEPINSA-N 0 3 373.545 3.059 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000549669474 504870677 /nfs/dbraw/zinc/87/06/77/504870677.db2.gz ISEPAUINZJNPGY-GOSISDBHSA-N 0 3 369.513 3.306 20 30 FGEDHN C=CCn1cccc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000556581607 504910509 /nfs/dbraw/zinc/91/05/09/504910509.db2.gz RMFHHHBVJWGAGS-UHFFFAOYSA-N 0 3 353.466 3.077 20 30 FGEDHN COc1ccc([C@@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 ZINC000562703552 504915204 /nfs/dbraw/zinc/91/52/04/504915204.db2.gz KIKXVYCWBZEMPA-SFTDATJTSA-N 0 3 361.445 3.413 20 30 FGEDHN N#Cc1cccc(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000553449835 504918712 /nfs/dbraw/zinc/91/87/12/504918712.db2.gz AGWBPTXUJSQPIK-QHCPKHFHSA-N 0 3 374.488 3.366 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000553478794 504926196 /nfs/dbraw/zinc/92/61/96/504926196.db2.gz UEOATGCZFOOPBQ-IDCJVQTKSA-N 0 3 361.461 3.110 20 30 FGEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000565576121 504926431 /nfs/dbraw/zinc/92/64/31/504926431.db2.gz XFQVWQCNZMCWEO-AWEZNQCLSA-N 0 3 372.446 3.482 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(C2CCCC2)CC1 ZINC000562824603 504956398 /nfs/dbraw/zinc/95/63/98/504956398.db2.gz RZLOCUKFJCQFRD-FQEVSTJZSA-N 0 3 352.482 3.205 20 30 FGEDHN CN1C(=O)C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000565863461 505008714 /nfs/dbraw/zinc/00/87/14/505008714.db2.gz ZHOARZNXLDVQMD-DYXWJJEUSA-N 0 3 367.399 3.385 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(C#N)n1 ZINC000563098628 505047388 /nfs/dbraw/zinc/04/73/88/505047388.db2.gz KWFMVVIFUXRAJR-GOSISDBHSA-N 0 3 351.454 3.231 20 30 FGEDHN CNC(=O)[C@@H](CN[C@H](C)c1ccc(C#N)cc1)Cc1ccc(F)cc1C ZINC000563126092 505055412 /nfs/dbraw/zinc/05/54/12/505055412.db2.gz RHDBPLAOBSSVHY-DNVCBOLYSA-N 0 3 353.441 3.261 20 30 FGEDHN N#CC1(NC(=O)CN(CCN2CCCCCC2)C2CCC2)CCCCC1 ZINC000553980877 505059815 /nfs/dbraw/zinc/05/98/15/505059815.db2.gz OQQIJKJSNMJXPJ-UHFFFAOYSA-N 0 3 360.546 3.060 20 30 FGEDHN N#Cc1c2c(cnc1NC[C@H]1CCCN(Cc3cccs3)C1)CCC2 ZINC000566135960 505093128 /nfs/dbraw/zinc/09/31/28/505093128.db2.gz VNPKZYHFRPPIRO-OAHLLOKOSA-N 0 3 352.507 3.249 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)CN1Cc1ccccc1 ZINC000560555798 505125354 /nfs/dbraw/zinc/12/53/54/505125354.db2.gz DXDIEEPAYCJIFD-MAUKXSAKSA-N 0 3 351.425 3.019 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000566295073 505136685 /nfs/dbraw/zinc/13/66/85/505136685.db2.gz NERHSSSCOCUZSF-LJQANCHMSA-N 0 3 355.413 3.298 20 30 FGEDHN CCOc1cccc([C@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000557500745 505151153 /nfs/dbraw/zinc/15/11/53/505151153.db2.gz CSFWLPXNDHVNFL-QFBILLFUSA-N 0 3 354.450 3.242 20 30 FGEDHN CCN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000560639131 505151790 /nfs/dbraw/zinc/15/17/90/505151790.db2.gz ASDLXTPGXRYUIG-IBGZPJMESA-N 0 3 365.452 3.363 20 30 FGEDHN CN(CCCN(C)c1nc2cc(Cl)ccn2c1C#N)Cc1ccco1 ZINC000557752440 505221060 /nfs/dbraw/zinc/22/10/60/505221060.db2.gz UMABNRZDFAUZHW-UHFFFAOYSA-N 0 3 357.845 3.411 20 30 FGEDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)cc1OC ZINC000551417340 505221707 /nfs/dbraw/zinc/22/17/07/505221707.db2.gz AJSWTPQOHYWYBD-HNAYVOBHSA-N 0 3 352.434 3.077 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000557754147 505221857 /nfs/dbraw/zinc/22/18/57/505221857.db2.gz POEXNTOIXNNZPI-FQEVSTJZSA-N 0 3 374.488 3.369 20 30 FGEDHN Cc1ccc(C#N)cc1S(=O)(=O)N(CCN1CCCCCC1)C(C)C ZINC000557854794 505246633 /nfs/dbraw/zinc/24/66/33/505246633.db2.gz IBAJVBSNTPUBLX-UHFFFAOYSA-N 0 3 363.527 3.142 20 30 FGEDHN COc1ccc(CN2CCC(CNc3nccc(C#N)c3Cl)CC2)cc1 ZINC000561159165 505267864 /nfs/dbraw/zinc/26/78/64/505267864.db2.gz NBERLDOLAOSYDJ-UHFFFAOYSA-N 0 3 370.884 3.361 20 30 FGEDHN N#CCSCCCN1CCN(c2cccc(Br)c2)CC1 ZINC000551708471 505288095 /nfs/dbraw/zinc/28/80/95/505288095.db2.gz UKMPKGWPYXWIPB-UHFFFAOYSA-N 0 3 354.317 3.218 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000555115024 505353978 /nfs/dbraw/zinc/35/39/78/505353978.db2.gz PVBQSKCXGDJSIU-GOSISDBHSA-N 0 3 356.857 3.314 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC#Cc1cccc(F)c1 ZINC000555214073 505381046 /nfs/dbraw/zinc/38/10/46/505381046.db2.gz JJXSRVBZHVGRMK-UHFFFAOYSA-N 0 3 367.468 3.387 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000552258776 505443105 /nfs/dbraw/zinc/44/31/05/505443105.db2.gz XTLNOGBXRNJKMV-HXUPBZAASA-N 0 3 371.525 3.370 20 30 FGEDHN CCN(CC)[C@@H](CNc1cc(C#N)ncn1)c1ccc(C(F)(F)F)cc1 ZINC000567446609 505465811 /nfs/dbraw/zinc/46/58/11/505465811.db2.gz GKPVHWMIZUBUNH-INIZCTEOSA-N 0 3 363.387 3.284 20 30 FGEDHN N#CCC[C@H](C#N)CNC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000558750728 505482723 /nfs/dbraw/zinc/48/27/23/505482723.db2.gz OYMOWLLZALYOFE-CYBMUJFWSA-N 0 3 351.376 3.102 20 30 FGEDHN C=CCNC(=O)CN[C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564741505 505507963 /nfs/dbraw/zinc/50/79/63/505507963.db2.gz PZPHZUONLRYVJA-WMZOPIPTSA-N 0 3 367.896 3.285 20 30 FGEDHN N#Cc1ccc(CNCCC(=O)NCc2ccccc2)c(C(F)(F)F)c1 ZINC000562068650 505509009 /nfs/dbraw/zinc/50/90/09/505509009.db2.gz ZAPOBJLKTMHLLZ-UHFFFAOYSA-N 0 3 361.367 3.373 20 30 FGEDHN CC(=O)N1CCN(c2ccccc2CN[C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000562095979 505518114 /nfs/dbraw/zinc/51/81/14/505518114.db2.gz NVHIMIGQEVBLSI-QFIPXVFZSA-N 0 3 374.488 3.004 20 30 FGEDHN CCN(C[C@H](O)COc1ccccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000599270152 506391382 /nfs/dbraw/zinc/39/13/82/506391382.db2.gz AURVVSWILKQGLR-LPHOPBHVSA-N 0 3 354.450 3.390 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000596436039 506403809 /nfs/dbraw/zinc/40/38/09/506403809.db2.gz IEZVGIBHRJLDKN-UHFFFAOYSA-N 0 3 351.410 3.186 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](CSc2ccccc2)C1 ZINC000599303195 506404105 /nfs/dbraw/zinc/40/41/05/506404105.db2.gz LXZAJRNZWRAFGX-IEBWSBKVSA-N 0 3 368.502 3.412 20 30 FGEDHN N#CC1(C[C@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)CCOCC1 ZINC000599326689 506413284 /nfs/dbraw/zinc/41/32/84/506413284.db2.gz MPSPYDSDGLYWFG-INIZCTEOSA-N 0 3 368.399 3.355 20 30 FGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000599345644 506421450 /nfs/dbraw/zinc/42/14/50/506421450.db2.gz TUKVBSSOXXMPHS-BBRMVZONSA-N 0 3 356.388 3.427 20 30 FGEDHN CN1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000589284822 506507224 /nfs/dbraw/zinc/50/72/24/506507224.db2.gz ZIMDICXMFFBOAC-IEBWSBKVSA-N 0 3 374.916 3.017 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@]1(CO)CCCN(Cc3ccccc3)C1)CC2 ZINC000589342747 506523536 /nfs/dbraw/zinc/52/35/36/506523536.db2.gz JEKFXIGMJBOHNK-DHIUTWEWSA-N 0 3 361.489 3.162 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000589344420 506524102 /nfs/dbraw/zinc/52/41/02/506524102.db2.gz LIOKBFNYRXKEBW-AWEZNQCLSA-N 0 3 373.478 3.179 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599623802 506535127 /nfs/dbraw/zinc/53/51/27/506535127.db2.gz CDMXZIVMFRWQLC-GELUBGBASA-N 0 3 361.511 3.278 20 30 FGEDHN N#Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)ccc1Cl ZINC000596708154 506552065 /nfs/dbraw/zinc/55/20/65/506552065.db2.gz MQRGDFVUDOAIPP-VXGBXAGGSA-N 0 3 362.735 3.134 20 30 FGEDHN C[C@@]1(NC(=O)NCc2ccc(C#N)cc2F)CCN(Cc2ccccc2)C1 ZINC000593338586 506553441 /nfs/dbraw/zinc/55/34/41/506553441.db2.gz JGXVZEORZJUEEN-OAQYLSRUSA-N 0 3 366.440 3.161 20 30 FGEDHN N#CCc1cccc2c1CCN(CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000599679650 506574118 /nfs/dbraw/zinc/57/41/18/506574118.db2.gz WLOQRCUXJSFFPV-UHFFFAOYSA-N 0 3 351.406 3.488 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000589743985 506640853 /nfs/dbraw/zinc/64/08/53/506640853.db2.gz VNUBOACKZGQFIU-XLNTUCKNSA-N 0 3 355.482 3.148 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1(C#N)CCCCC1 ZINC000596973526 506706118 /nfs/dbraw/zinc/70/61/18/506706118.db2.gz KSPXQRQPZDLYEJ-UHFFFAOYSA-N 0 3 352.482 3.313 20 30 FGEDHN N#Cc1cccc(CN2CCC(N[C@@H](c3ncc[nH]3)c3cccnc3)CC2)c1 ZINC000593721923 506747924 /nfs/dbraw/zinc/74/79/24/506747924.db2.gz NVBLDRJXLYZCEQ-OAQYLSRUSA-N 0 3 372.476 3.020 20 30 FGEDHN COc1ccc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)nc1 ZINC000593760044 506765376 /nfs/dbraw/zinc/76/53/76/506765376.db2.gz MQMAYCNWOJXQPG-IBGZPJMESA-N 0 3 374.444 3.050 20 30 FGEDHN CCN1C[C@H](CN(C)CCOc2ccccc2C#N)Oc2ccccc21 ZINC000604271937 506771351 /nfs/dbraw/zinc/77/13/51/506771351.db2.gz GKSZNYVRTRSCGW-SFHVURJKSA-N 0 3 351.450 3.156 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000590303389 506787487 /nfs/dbraw/zinc/78/74/87/506787487.db2.gz YOEGPSBDTPPBEX-INIZCTEOSA-N 0 3 369.490 3.065 20 30 FGEDHN CN(C)CCn1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cn1 ZINC000604511278 506855513 /nfs/dbraw/zinc/85/55/13/506855513.db2.gz QOTLGMJMBQWCPH-UHFFFAOYSA-N 0 3 359.433 3.236 20 30 FGEDHN COC(=O)[C@H]1C[C@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597242497 506856784 /nfs/dbraw/zinc/85/67/84/506856784.db2.gz NKPPEIXFTCGXDH-WGSAOQKQSA-N 0 3 350.418 3.178 20 30 FGEDHN Cc1ccccc1[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000583588269 506863305 /nfs/dbraw/zinc/86/33/05/506863305.db2.gz WSAVSPLALSBJFM-IBGZPJMESA-N 0 3 357.479 3.022 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)Cc1ccc(C#N)cc1Br ZINC000594001546 506876326 /nfs/dbraw/zinc/87/63/26/506876326.db2.gz VWMXASVOAWKRIF-UHFFFAOYSA-N 0 3 373.298 3.280 20 30 FGEDHN CCC(C)(C)N1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000594021611 506888835 /nfs/dbraw/zinc/88/88/35/506888835.db2.gz XFKKXVOOJGZVTP-UHFFFAOYSA-N 0 3 370.541 3.356 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000594040698 506900863 /nfs/dbraw/zinc/90/08/63/506900863.db2.gz APVXTCMYXMCADY-INIZCTEOSA-N 0 3 355.507 3.389 20 30 FGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)CC#N ZINC000597416567 506941483 /nfs/dbraw/zinc/94/14/83/506941483.db2.gz SLNQYWIJUSHRLX-YJBOKZPZSA-N 0 3 351.454 3.127 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc(N2CCOCC2)c(F)c1 ZINC000613242585 506990473 /nfs/dbraw/zinc/99/04/73/506990473.db2.gz IDXPKJFLMGIZGA-HXUWFJFHSA-N 0 3 366.440 3.096 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)NC[C@H]3CCCCN3C3CC3)CCC2)cc1 ZINC000594242188 507036710 /nfs/dbraw/zinc/03/67/10/507036710.db2.gz MLDBHUZZMZBPCB-LJQANCHMSA-N 0 3 352.482 3.254 20 30 FGEDHN C[C@H]1[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000597655089 507047926 /nfs/dbraw/zinc/04/79/26/507047926.db2.gz ZJXACBQLPZTIBF-ORAYPTAESA-N 0 3 355.388 3.229 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)CC1 ZINC000605055622 507063392 /nfs/dbraw/zinc/06/33/92/507063392.db2.gz DYHIXZUIKMXESR-IBGZPJMESA-N 0 3 374.504 3.053 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000594302114 507070507 /nfs/dbraw/zinc/07/05/07/507070507.db2.gz CWBCWZCIQOSKGA-XMSQKQJNSA-N 0 3 361.489 3.470 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCSc2c(F)cccc21 ZINC000600716998 507080488 /nfs/dbraw/zinc/08/04/88/507080488.db2.gz IESPLLUYETYSGB-RHSMWYFYSA-N 0 3 358.438 3.264 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000591062228 507095914 /nfs/dbraw/zinc/09/59/14/507095914.db2.gz YGUZLAVDTWWMFD-SJLPKXTDSA-N 0 3 355.482 3.452 20 30 FGEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000610134167 507111294 /nfs/dbraw/zinc/11/12/94/507111294.db2.gz RQXVYLXIEZUZLT-RTBURBONSA-N 0 3 357.498 3.090 20 30 FGEDHN CN(C(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1)C1CCCCC1 ZINC000594425693 507126064 /nfs/dbraw/zinc/12/60/64/507126064.db2.gz BJGNLTXSRMNSRX-IBGZPJMESA-N 0 3 370.497 3.441 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000594426338 507127466 /nfs/dbraw/zinc/12/74/66/507127466.db2.gz CGEZEWNRZKVODY-HNNXBMFYSA-N 0 3 364.421 3.362 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000594427520 507127767 /nfs/dbraw/zinc/12/77/67/507127767.db2.gz VAWMHFGNRNNAIE-QGZVFWFLSA-N 0 3 366.469 3.021 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000594425843 507127852 /nfs/dbraw/zinc/12/78/52/507127852.db2.gz AXJJSCZCHVUPMC-AWEZNQCLSA-N 0 3 356.451 3.095 20 30 FGEDHN Cc1cc(Br)cc(C)c1CNC(=O)[C@@H](N)CCCCC#N ZINC000594432184 507129107 /nfs/dbraw/zinc/12/91/07/507129107.db2.gz ZIZFVWCCAGACNE-HNNXBMFYSA-N 0 3 352.276 3.093 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000594429600 507129502 /nfs/dbraw/zinc/12/95/02/507129502.db2.gz ULRJWOLTBTUMOO-SUMWQHHRSA-N 0 3 351.853 3.424 20 30 FGEDHN CC(C)(CO)[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000597847395 507130636 /nfs/dbraw/zinc/13/06/36/507130636.db2.gz USFLBDKCHNQXDI-HKUYNNGSSA-N 0 3 351.450 3.030 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000594432751 507131858 /nfs/dbraw/zinc/13/18/58/507131858.db2.gz BBFMJQFEZDONLF-OAHLLOKOSA-N 0 3 363.824 3.074 20 30 FGEDHN CCCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594440445 507132447 /nfs/dbraw/zinc/13/24/47/507132447.db2.gz CKFDBQXIBXNWHT-NHCUHLMSSA-N 0 3 370.541 3.301 20 30 FGEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594437106 507133256 /nfs/dbraw/zinc/13/32/56/507133256.db2.gz IATVBAXOWNUHEL-QAPCUYQASA-N 0 3 353.470 3.131 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000594441818 507135512 /nfs/dbraw/zinc/13/55/12/507135512.db2.gz XEOGCPHPUVJWOZ-QGZVFWFLSA-N 0 3 356.401 3.040 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCCc1ccc(OCCN(C)C)cc1 ZINC000610276138 507172856 /nfs/dbraw/zinc/17/28/56/507172856.db2.gz UFTIIZSJIKWNPX-UHFFFAOYSA-N 0 3 374.488 3.432 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000584151521 507179698 /nfs/dbraw/zinc/17/96/98/507179698.db2.gz YEOZETWVKFRQSM-WQANXHIZSA-N 0 3 373.472 3.254 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C3CCC3)C2)cc1 ZINC000591340895 507210121 /nfs/dbraw/zinc/21/01/21/507210121.db2.gz APMUMMNSFXRIJN-HIFRSBDPSA-N 0 3 361.467 3.026 20 30 FGEDHN CCC(C)(C)N1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000594611535 507210785 /nfs/dbraw/zinc/21/07/85/507210785.db2.gz HBPAYRMLDHMPNR-UHFFFAOYSA-N 0 3 366.513 3.165 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000610458437 507248736 /nfs/dbraw/zinc/24/87/36/507248736.db2.gz RZCJLXUINPUKMR-GOSISDBHSA-N 0 3 362.477 3.364 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCc2ccc(Cl)cc2)cc1 ZINC000584286766 507259961 /nfs/dbraw/zinc/25/99/61/507259961.db2.gz GVUAHTBFPJLBOK-UHFFFAOYSA-N 0 3 362.882 3.208 20 30 FGEDHN CC(C)(CNCc1cccc(OCc2cccc(C#N)c2)c1)S(C)(=O)=O ZINC000610511641 507271481 /nfs/dbraw/zinc/27/14/81/507271481.db2.gz UUHAPUZWVQZGJA-UHFFFAOYSA-N 0 3 372.490 3.050 20 30 FGEDHN C[C@@H](COc1c(F)cccc1F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598153455 507282228 /nfs/dbraw/zinc/28/22/28/507282228.db2.gz KUCIWONGGUFXCS-XJKSGUPXSA-N 0 3 369.371 3.102 20 30 FGEDHN C=CCCCN(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000605880782 507293964 /nfs/dbraw/zinc/29/39/64/507293964.db2.gz ORFDPSCTQMUOCD-UHFFFAOYSA-N 0 3 358.530 3.196 20 30 FGEDHN N#CC1(c2ccc(CNC[C@H]3CN(Cc4ccccc4)CCO3)cc2)CC1 ZINC000594919168 507313134 /nfs/dbraw/zinc/31/31/34/507313134.db2.gz PQDNRQTYTQKSHF-QFIPXVFZSA-N 0 3 361.489 3.232 20 30 FGEDHN N#CC1(c2ccc(CN[C@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1 ZINC000594941522 507322840 /nfs/dbraw/zinc/32/28/40/507322840.db2.gz UVDLXSLYPRVZMX-IBGZPJMESA-N 0 3 352.482 3.012 20 30 FGEDHN COc1cccc([C@@]2(C)CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)c1 ZINC000598226132 507327548 /nfs/dbraw/zinc/32/75/48/507327548.db2.gz SRHMLRDONXTNQU-CVDCTZTESA-N 0 3 373.456 3.439 20 30 FGEDHN C=CCCn1cc(CN[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)nn1 ZINC000594952544 507329320 /nfs/dbraw/zinc/32/93/20/507329320.db2.gz WIJDTMGPPXVZED-HYVNUMGLSA-N 0 3 362.518 3.336 20 30 FGEDHN COC[C@]1(CNCc2ccc(C3(C#N)CC3)cc2)OCCc2ccccc21 ZINC000594960912 507332889 /nfs/dbraw/zinc/33/28/89/507332889.db2.gz ZBFZFRVLXHPLCG-QHCPKHFHSA-N 0 3 362.473 3.446 20 30 FGEDHN COc1cccc(OC)c1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594968585 507336715 /nfs/dbraw/zinc/33/67/15/507336715.db2.gz STSLOQRNHVGARX-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN C[C@H](NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073195 507379448 /nfs/dbraw/zinc/37/94/48/507379448.db2.gz SYGVWVVBMGFWIZ-HNAYVOBHSA-N 0 3 353.441 3.115 20 30 FGEDHN N#CCN1CCC(N[C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000610813450 507400100 /nfs/dbraw/zinc/40/01/00/507400100.db2.gz HRLAMLGUEYVNSJ-INIZCTEOSA-N 0 3 364.287 3.240 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(-c3ccccc3OC)n2)CC1 ZINC000592069165 507474463 /nfs/dbraw/zinc/47/44/63/507474463.db2.gz NCZJVBMSGPVQQL-UHFFFAOYSA-N 0 3 357.479 3.199 20 30 FGEDHN N#Cc1ccc(CCN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000595407515 507483174 /nfs/dbraw/zinc/48/31/74/507483174.db2.gz BSJXKDZLFOADPT-HXUWFJFHSA-N 0 3 351.494 3.215 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@](C)(C#N)C2)c2ccccc2)CC1 ZINC000595469273 507513047 /nfs/dbraw/zinc/51/30/47/507513047.db2.gz WGGAVDNAWMICNT-TZIWHRDSSA-N 0 3 354.498 3.405 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611108188 507517955 /nfs/dbraw/zinc/51/79/55/507517955.db2.gz BQPHNZXAHKYZSY-IEBWSBKVSA-N 0 3 357.816 3.412 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000592183607 507527575 /nfs/dbraw/zinc/52/75/75/507527575.db2.gz KQSZCUKLGMTSLM-HXUWFJFHSA-N 0 3 368.525 3.055 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592183034 507528335 /nfs/dbraw/zinc/52/83/35/507528335.db2.gz HTXYVFLTROMIRU-ZIAGYGMSSA-N 0 3 361.873 3.430 20 30 FGEDHN CN1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000611162122 507541135 /nfs/dbraw/zinc/54/11/35/507541135.db2.gz WMVXQFDSMDYAKB-FDFHNCONSA-N 0 3 374.488 3.089 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000598667524 507542447 /nfs/dbraw/zinc/54/24/47/507542447.db2.gz DPRXIZWKROZEKN-ZDUSSCGKSA-N 0 3 374.229 3.068 20 30 FGEDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000611205327 507561624 /nfs/dbraw/zinc/56/16/24/507561624.db2.gz VAIORIVFXRKFPB-OALUTQOASA-N 0 3 357.498 3.297 20 30 FGEDHN CCOC(=O)[C@@H]1CC[C@H](C)N(CCC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000595560238 507562440 /nfs/dbraw/zinc/56/24/40/507562440.db2.gz SZZPIJKURKRICR-GZBFAFLISA-N 0 3 363.483 3.000 20 30 FGEDHN CCN(CC)[C@@H](CNc1ccc(C#N)nn1)c1ccc(C(F)(F)F)cc1 ZINC000611240023 507575451 /nfs/dbraw/zinc/57/54/51/507575451.db2.gz YZODPSGNJRXTIW-INIZCTEOSA-N 0 3 363.387 3.284 20 30 FGEDHN C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000595603063 507585216 /nfs/dbraw/zinc/58/52/16/507585216.db2.gz XIBQYXOZSKKLHG-NQIIRXRSSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000595605060 507586284 /nfs/dbraw/zinc/58/62/84/507586284.db2.gz UMRZOKJIXRAGLR-BBRMVZONSA-N 0 3 355.438 3.347 20 30 FGEDHN N#Cc1sccc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000595629555 507601633 /nfs/dbraw/zinc/60/16/33/507601633.db2.gz GLKOAMQFQHZVGK-SFHVURJKSA-N 0 3 352.507 3.016 20 30 FGEDHN N#Cc1sccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000595629553 507602028 /nfs/dbraw/zinc/60/20/28/507602028.db2.gz GLKOAMQFQHZVGK-GOSISDBHSA-N 0 3 352.507 3.016 20 30 FGEDHN C[C@@H](Cn1cc(Br)ccc1=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000585726542 507606371 /nfs/dbraw/zinc/60/63/71/507606371.db2.gz KFYVWCSVISKNGX-SJCJKPOMSA-N 0 3 372.266 3.148 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595636761 507607009 /nfs/dbraw/zinc/60/70/09/507607009.db2.gz ISZFUBHDTNOTPF-UTKZUKDTSA-N 0 3 362.477 3.063 20 30 FGEDHN N#Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c(Cl)c1 ZINC000598818151 507619168 /nfs/dbraw/zinc/61/91/68/507619168.db2.gz HUCUIUXHZMTDQX-QWRGUYRKSA-N 0 3 362.735 3.134 20 30 FGEDHN CN1CCN(Cc2ccc(CN[C@@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611391165 507659664 /nfs/dbraw/zinc/65/96/64/507659664.db2.gz XVXJKKUFDFGXSM-XMMPIXPASA-N 0 3 374.532 3.473 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595746552 507661016 /nfs/dbraw/zinc/66/10/16/507661016.db2.gz CCPCICWEQBCTCK-ZWKOTPCHSA-N 0 3 369.490 3.046 20 30 FGEDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611395077 507661012 /nfs/dbraw/zinc/66/10/12/507661012.db2.gz KANISJPFDDSANX-BTYIYWSLSA-N 0 3 358.445 3.324 20 30 FGEDHN CN(C)CCOc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000611395255 507661094 /nfs/dbraw/zinc/66/10/94/507661094.db2.gz YZERGYDJGJBVAD-FQEVSTJZSA-N 0 3 350.466 3.061 20 30 FGEDHN Cn1ccnc1[C@H](NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1 ZINC000611410114 507670599 /nfs/dbraw/zinc/67/05/99/507670599.db2.gz IXNCVPVYLCVLQM-FAFZWHIHSA-N 0 3 351.454 3.118 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000614843043 507672396 /nfs/dbraw/zinc/67/23/96/507672396.db2.gz IIAKSOGSSPMNES-NRFANRHFSA-N 0 3 359.473 3.323 20 30 FGEDHN N#Cc1cnn2cc(CN3CCC[C@H](c4nc5ccccc5o4)C3)cnc12 ZINC000592496690 507680117 /nfs/dbraw/zinc/68/01/17/507680117.db2.gz DOKDNVYCPNJDME-HNNXBMFYSA-N 0 3 358.405 3.122 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(COc2ccc(F)cc2)cc1 ZINC000592568655 507707329 /nfs/dbraw/zinc/70/73/29/507707329.db2.gz TZHQWZRQVREDEX-LJQANCHMSA-N 0 3 355.413 3.042 20 30 FGEDHN COc1ccc(CCC(=O)N2CCCN(C[C@H](C)CCC#N)CC2)cc1 ZINC000602453182 507714755 /nfs/dbraw/zinc/71/47/55/507714755.db2.gz GLJAMTRWHLPSMW-GOSISDBHSA-N 0 3 357.498 3.102 20 30 FGEDHN Cc1cc(C#N)cc(NCCCOC2CCN(Cc3ccccc3)CC2)n1 ZINC000587991457 507725768 /nfs/dbraw/zinc/72/57/68/507725768.db2.gz ACEHGTMMOHPCFE-UHFFFAOYSA-N 0 3 364.493 3.167 20 30 FGEDHN N#Cc1ccc(NCC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000587991890 507726537 /nfs/dbraw/zinc/72/65/37/507726537.db2.gz HPFFZZYBTBFZKM-QHCPKHFHSA-N 0 3 374.488 3.095 20 30 FGEDHN Cc1cc(Br)ccc1NC(=O)CNC1CCC(C#N)CC1 ZINC000602526798 507738167 /nfs/dbraw/zinc/73/81/67/507738167.db2.gz GDXMKEDGPQHYPT-UHFFFAOYSA-N 0 3 350.260 3.368 20 30 FGEDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722684 601321893 /nfs/dbraw/zinc/32/18/93/601321893.db2.gz HOGUENOZTQDXRD-TZIWHRDSSA-N 0 3 363.461 3.138 20 30 FGEDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722684 601321895 /nfs/dbraw/zinc/32/18/95/601321895.db2.gz HOGUENOZTQDXRD-TZIWHRDSSA-N 0 3 363.461 3.138 20 30 FGEDHN C#CCCCC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819692326 606951681 /nfs/dbraw/zinc/95/16/81/606951681.db2.gz CJGXHNABGNZRGJ-UHFFFAOYSA-N 0 3 361.449 3.339 20 30 FGEDHN C#CCCCC[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819692326 606951682 /nfs/dbraw/zinc/95/16/82/606951682.db2.gz CJGXHNABGNZRGJ-UHFFFAOYSA-N 0 3 361.449 3.339 20 30 FGEDHN C[C@H](CSCc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000122687851 700693961 /nfs/dbraw/zinc/69/39/61/700693961.db2.gz TXTBQTCMTZYIQV-GDBMZVCRSA-N 0 3 353.447 3.298 20 30 FGEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1ccc(Cl)cc1Cl ZINC000124338237 700718596 /nfs/dbraw/zinc/71/85/96/700718596.db2.gz LMMDQGDWZRPJQG-CQSZACIVSA-N 0 3 371.264 3.178 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSc2ccccc2C)c1 ZINC000127033725 700756364 /nfs/dbraw/zinc/75/63/64/700756364.db2.gz URPMFDDVUOARMF-INIZCTEOSA-N 0 3 354.431 3.443 20 30 FGEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000138693569 704875053 /nfs/dbraw/zinc/87/50/53/704875053.db2.gz FFLDLILHBKRNKX-OAHLLOKOSA-N 0 3 356.809 3.247 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1ccsc1 ZINC000152563722 704965914 /nfs/dbraw/zinc/96/59/14/704965914.db2.gz OSHZEEINMYRPET-OAHLLOKOSA-N 0 3 366.280 3.346 20 30 FGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCc2cccs2)cc1 ZINC000155050538 705061461 /nfs/dbraw/zinc/06/14/61/705061461.db2.gz ZFBIZTOACFBLRT-QGZVFWFLSA-N 0 3 356.447 3.105 20 30 FGEDHN C=CCN1CCC(NC(=O)/C=C(\C)c2ccccc2OC(F)F)CC1 ZINC000175385726 705545078 /nfs/dbraw/zinc/54/50/78/705545078.db2.gz BWRUZPTZTSMWCC-BUHFOSPRSA-N 0 3 350.409 3.458 20 30 FGEDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2nc(C)cc(C)c2C#N)C1 ZINC000192790641 712873414 /nfs/dbraw/zinc/87/34/14/712873414.db2.gz IXRZZFOQDCJMMF-MRXNPFEDSA-N 0 3 355.511 3.293 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000193381898 712889219 /nfs/dbraw/zinc/88/92/19/712889219.db2.gz NVIGWUFKCQBUCR-CQSZACIVSA-N 0 3 359.451 3.269 20 30 FGEDHN CS(=O)(=O)CC1(CN=C(Nc2ccccc2)N2CCCCC2)CCC1 ZINC000263212367 713740756 /nfs/dbraw/zinc/74/07/56/713740756.db2.gz ZHJDFADRRDZPKC-UHFFFAOYSA-N 0 3 363.527 3.155 20 30 FGEDHN C=CC1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000523605821 714243449 /nfs/dbraw/zinc/24/34/49/714243449.db2.gz VTHARBPEDAQWGM-UHFFFAOYSA-N 0 3 351.288 3.306 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCCC(F)(F)CC2)c(OC)c1 ZINC000625767229 715786460 /nfs/dbraw/zinc/78/64/60/715786460.db2.gz OTJMULMWWVOPNC-INIZCTEOSA-N 0 3 355.425 3.285 20 30 FGEDHN CC(C)CN1CCN(c2ccc([C@@H](C#N)c3ccccc3F)nn2)CC1 ZINC001164654039 719335132 /nfs/dbraw/zinc/33/51/32/719335132.db2.gz LQDQJKWSFMVWFD-KRWDZBQOSA-N 0 3 353.445 3.049 20 30 FGEDHN C=CCOCCNCc1cn(-c2cccc(Br)c2)nc1C ZINC000655757376 719335407 /nfs/dbraw/zinc/33/54/07/719335407.db2.gz GDLCSUITSFCVRL-UHFFFAOYSA-N 0 3 350.260 3.235 20 30 FGEDHN C=CCC1(NCc2csc(-c3c(C)c(C)nn(C)c3=O)n2)CCCC1 ZINC000661851758 720331891 /nfs/dbraw/zinc/33/18/91/720331891.db2.gz DNPMFYVRMBENED-UHFFFAOYSA-N 0 3 358.511 3.499 20 30 FGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000662082134 720373536 /nfs/dbraw/zinc/37/35/36/720373536.db2.gz YFVCYJJBLIFFJJ-IYBDPMFKSA-N 0 3 350.409 3.429 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1Cl ZINC000783358052 724749071 /nfs/dbraw/zinc/74/90/71/724749071.db2.gz WWDWJAAUWYGQDB-DMDPSCGWSA-N 0 3 362.813 3.001 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000783536307 724762652 /nfs/dbraw/zinc/76/26/52/724762652.db2.gz KRHREZGGZLRABF-NWDGAFQWSA-N 0 3 366.310 3.340 20 30 FGEDHN N#CC(C(=O)c1cnc2ncc(Br)cc2c1)c1ccccn1 ZINC000682012790 722231521 /nfs/dbraw/zinc/23/15/21/722231521.db2.gz QZFOUHUAEKOBDW-CYBMUJFWSA-N 0 3 353.179 3.277 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(C)ccn1 ZINC000682848736 722267783 /nfs/dbraw/zinc/26/77/83/722267783.db2.gz IKZFWINRUUJXEI-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)NCCc1cccs1 ZINC000727699471 722446693 /nfs/dbraw/zinc/44/66/93/722446693.db2.gz SLJVBNZIWLSCTF-UHFFFAOYSA-N 0 3 372.563 3.101 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CCSCC2)cc1Cl ZINC000733054152 722491780 /nfs/dbraw/zinc/49/17/80/722491780.db2.gz YWLOGDQCAPJTDM-GFCCVEGCSA-N 0 3 352.843 3.139 20 30 FGEDHN C[C@@H](C#N)CN(Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000753978083 722921383 /nfs/dbraw/zinc/92/13/83/722921383.db2.gz VADULBJQTMQXRO-LBPRGKRZSA-N 0 3 360.255 3.346 20 30 FGEDHN C=CCOc1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1Cl ZINC000754081995 722926321 /nfs/dbraw/zinc/92/63/21/722926321.db2.gz QQLPVTNIJJBQOY-PKOBYXMFSA-N 0 3 361.869 3.479 20 30 FGEDHN C#C[C@@H](CCC)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000791744960 723276957 /nfs/dbraw/zinc/27/69/57/723276957.db2.gz FBZIMSBSJBBYRK-FUHWJXTLSA-N 0 3 352.400 3.359 20 30 FGEDHN C=CCN1CCC(NC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000765268896 723500555 /nfs/dbraw/zinc/50/05/55/723500555.db2.gz CCIYPYUCPYOQRT-UHFFFAOYSA-N 0 3 364.287 3.125 20 30 FGEDHN C#CCN(CCn1ccnc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244361 723564379 /nfs/dbraw/zinc/56/43/79/723564379.db2.gz USKSNWBENWXOJK-QGZVFWFLSA-N 0 3 374.282 3.413 20 30 FGEDHN CC1C(NN=c2nc[nH]c3sccc32)=CC(=O)N1C(=O)OC(C)(C)C ZINC000766429349 723573834 /nfs/dbraw/zinc/57/38/34/723573834.db2.gz CIYVUISQJSETDZ-VIFPVBQESA-N 0 3 361.427 3.015 20 30 FGEDHN N#CC(C(=O)CCc1cncnc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000796748739 723653248 /nfs/dbraw/zinc/65/32/48/723653248.db2.gz WAARGPVIZSIKNA-AWEZNQCLSA-N 0 3 363.204 3.064 20 30 FGEDHN CC[C@@H](CSC)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773704514 723815371 /nfs/dbraw/zinc/81/53/71/723815371.db2.gz XJSYOYBGZPTJLW-GJZGRUSLSA-N 0 3 354.479 3.297 20 30 FGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)SC)cc1 ZINC000773772501 723822329 /nfs/dbraw/zinc/82/23/29/723822329.db2.gz WBLPVNIWWIXPNF-IUODEOHRSA-N 0 3 362.451 3.042 20 30 FGEDHN CCC(=O)N[C@H](CCSC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567757 723835984 /nfs/dbraw/zinc/83/59/84/723835984.db2.gz BETKINVIKDMSRT-NWDGAFQWSA-N 0 3 367.540 3.265 20 30 FGEDHN C[C@H]1CCOCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000775569064 724001291 /nfs/dbraw/zinc/00/12/91/724001291.db2.gz LLKIHGBUDKADGQ-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNCC1([C@H](O)C(C)C)CC1 ZINC000776494896 724151197 /nfs/dbraw/zinc/15/11/97/724151197.db2.gz QMWGCLNWTJRXQJ-QGZVFWFLSA-N 0 3 366.299 3.348 20 30 FGEDHN C#CCCCN(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000786450414 724979996 /nfs/dbraw/zinc/97/99/96/724979996.db2.gz KWANCFUTQNJSDT-UHFFFAOYSA-N 0 3 354.288 3.444 20 30 FGEDHN C=CCCOCC(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000787049847 725014893 /nfs/dbraw/zinc/01/48/93/725014893.db2.gz IIKFIYZRFVEHNB-RISCZKNCSA-N 0 3 369.248 3.472 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc([S@@](C)=O)cc3)nc21 ZINC000805884474 725102200 /nfs/dbraw/zinc/10/22/00/725102200.db2.gz PUAYCTWXVFWNHB-SGANQWHYSA-N 0 3 351.431 3.028 20 30 FGEDHN N#CC(C(=O)Cn1cc(Cl)cn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000808980190 725222039 /nfs/dbraw/zinc/22/20/39/725222039.db2.gz WCKQADFVJXVFAD-LBPRGKRZSA-N 0 3 371.611 3.191 20 30 FGEDHN C#C[C@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)C(C)(C)C ZINC000809782453 725268348 /nfs/dbraw/zinc/26/83/48/725268348.db2.gz UWPNYMYRFHMIAM-IBGZPJMESA-N 0 3 364.917 3.189 20 30 FGEDHN N#CC(C(=O)CCc1ncccn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000813059696 726834547 /nfs/dbraw/zinc/83/45/47/726834547.db2.gz FXTNDHMQOBKXOU-LLVKDONJSA-N 0 3 363.204 3.064 20 30 FGEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000813250905 726855308 /nfs/dbraw/zinc/85/53/08/726855308.db2.gz VPMCFAYHYSMYRT-INIZCTEOSA-N 0 3 368.250 3.472 20 30 FGEDHN N#CC(C(=O)CCc1cncs1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815909068 727106531 /nfs/dbraw/zinc/10/65/31/727106531.db2.gz QAHCCRSBYPJBPT-LLVKDONJSA-N 0 3 351.790 3.216 20 30 FGEDHN C#CCN(C)CCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000818593233 727315630 /nfs/dbraw/zinc/31/56/30/727315630.db2.gz PYVIVLUGXUFAOF-BXXOZEPKSA-N 0 3 356.432 3.207 20 30 FGEDHN N#CCc1ccnc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000871719586 735538350 /nfs/dbraw/zinc/53/83/50/735538350.db2.gz YQPNVIVHPSIZBF-HNNXBMFYSA-N 0 3 355.467 3.168 20 30 FGEDHN C#C[C@@H](NC(=O)N(CCC)[C@@H]1CCN(C)C1)c1ccc(Cl)cc1F ZINC000820756222 729027171 /nfs/dbraw/zinc/02/71/71/729027171.db2.gz ZXKMBLXEDOQTMB-RHSMWYFYSA-N 0 3 351.853 3.279 20 30 FGEDHN CCCCCCCS(=O)(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000828121671 729440265 /nfs/dbraw/zinc/44/02/65/729440265.db2.gz HGFAGHZOXDSDIJ-MOPGFXCFSA-N 0 3 352.544 3.222 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)C#Cc2cccs2)N(C)C)cc1 ZINC000832692607 729727655 /nfs/dbraw/zinc/72/76/55/729727655.db2.gz WJEOIOAFBKUXSF-LJQANCHMSA-N 0 3 356.491 3.306 20 30 FGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(Cl)n(C)n1 ZINC000835064744 729855029 /nfs/dbraw/zinc/85/50/29/729855029.db2.gz YKSSSMBXXMVWCF-CYBMUJFWSA-N 0 3 358.829 3.159 20 30 FGEDHN CC[C@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC(C)C ZINC000842287847 730480857 /nfs/dbraw/zinc/48/08/57/730480857.db2.gz CMQKKNVDSANZKW-UKRRQHHQSA-N 0 3 365.271 3.251 20 30 FGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCc1scnc1C)c1ccccc1 ZINC000842343301 730487793 /nfs/dbraw/zinc/48/77/93/730487793.db2.gz VMOFATYWWDOPOG-HOTGVXAUSA-N 0 3 355.463 3.361 20 30 FGEDHN N#CC(C(=O)c1ccc(N2CCOCC2)cc1)c1nc(C2CC2)cs1 ZINC000842940353 730560176 /nfs/dbraw/zinc/56/01/76/730560176.db2.gz BWQFDWLKNVINBS-INIZCTEOSA-N 0 3 353.447 3.347 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CC1 ZINC000843721140 730647941 /nfs/dbraw/zinc/64/79/41/730647941.db2.gz MSGODNILPQXGOO-UHFFFAOYSA-N 0 3 360.870 3.142 20 30 FGEDHN C=CCN(Cc1cccs1)C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000844267588 730696488 /nfs/dbraw/zinc/69/64/88/730696488.db2.gz HCDYPCTYCQCXEA-SFHVURJKSA-N 0 3 354.516 3.354 20 30 FGEDHN C=CCN(C(=S)NC1CCN(Cc2ccccc2)CC1)[C@H](C)COC ZINC000849277214 731240859 /nfs/dbraw/zinc/24/08/59/731240859.db2.gz RUXAKBDCTMMQEF-QGZVFWFLSA-N 0 3 361.555 3.048 20 30 FGEDHN Cc1nc(SCC(C)C)sc1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000850753383 731384895 /nfs/dbraw/zinc/38/48/95/731384895.db2.gz YOWDAIJFQUZCTC-CYBMUJFWSA-N 0 3 365.524 3.073 20 30 FGEDHN C#CC[C@@H](COC)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000858333767 732204333 /nfs/dbraw/zinc/20/43/33/732204333.db2.gz AOQBILGTACDFMT-INIZCTEOSA-N 0 3 362.271 3.071 20 30 FGEDHN N#CC(C(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)NC1CC1 ZINC000870143732 733816362 /nfs/dbraw/zinc/81/63/62/733816362.db2.gz XUNWDNUISVTOPL-LLVKDONJSA-N 0 3 351.189 3.270 20 30 FGEDHN CC(C)(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc(Cl)n1 ZINC000870162833 733818995 /nfs/dbraw/zinc/81/89/95/733818995.db2.gz NZLYCQSCOPBVRG-LBPRGKRZSA-N 0 3 356.813 3.389 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000876565036 736114758 /nfs/dbraw/zinc/11/47/58/736114758.db2.gz FFTSJNAXTQSGDH-CABZTGNLSA-N 0 3 361.667 3.105 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000876703543 736134571 /nfs/dbraw/zinc/13/45/71/736134571.db2.gz YYJIJWSHZOFUBI-BXKDBHETSA-N 0 3 355.225 3.037 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000876995995 736172636 /nfs/dbraw/zinc/17/26/36/736172636.db2.gz ZFHYDDYDVRVPJC-ZDUSSCGKSA-N 0 3 364.877 3.343 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC(C)(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877432235 736218818 /nfs/dbraw/zinc/21/88/18/736218818.db2.gz SBIQJUBZDCXWOQ-UHFFFAOYSA-N 0 3 364.877 3.486 20 30 FGEDHN C=CCC[C@H](O)CN1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000879678988 737031264 /nfs/dbraw/zinc/03/12/64/737031264.db2.gz DWULBWGBVFVKOO-HNNXBMFYSA-N 0 3 352.500 3.135 20 30 FGEDHN O[C@@H](CNCc1c[nH]nc1-c1c(F)cccc1F)C(F)(F)C(F)(F)F ZINC000883367069 737559163 /nfs/dbraw/zinc/55/91/63/737559163.db2.gz HGCBYFVEKBWZST-JTQLQIEISA-N 0 3 371.256 3.003 20 30 FGEDHN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884110255 737634487 /nfs/dbraw/zinc/63/44/87/737634487.db2.gz DLDDWNOEEOQUHM-FLLOGLIKSA-N 0 3 366.292 3.180 20 30 FGEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccc(Cl)c1Cl ZINC000884144239 737637681 /nfs/dbraw/zinc/63/76/81/737637681.db2.gz FJMUPCIKJBXNOL-CPJULBENSA-N 0 3 352.265 3.310 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCCc1c(Cl)cccc1Cl)C2 ZINC000884389948 737659786 /nfs/dbraw/zinc/65/97/86/737659786.db2.gz JZNXMBSIHRTAMB-YNAXMUEKSA-N 0 3 366.292 3.182 20 30 FGEDHN C#Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c(Cl)c1 ZINC000885669798 739178275 /nfs/dbraw/zinc/17/82/75/739178275.db2.gz MLDOTXLURSYJET-NEPJUHHUSA-N 0 3 361.747 3.244 20 30 FGEDHN C#CCN(C(=O)c1cccc(Br)c1Cl)C1CCN(C)CC1 ZINC000886578513 739271457 /nfs/dbraw/zinc/27/14/57/739271457.db2.gz AAGPFXPYNRUFEO-UHFFFAOYSA-N 0 3 369.690 3.272 20 30 FGEDHN C#CCN(C(=O)c1cc2c(cccc2Br)[nH]1)C1CCN(C)CC1 ZINC000886582020 739272524 /nfs/dbraw/zinc/27/25/24/739272524.db2.gz CLYSFCODJGAMCS-UHFFFAOYSA-N 0 3 374.282 3.100 20 30 FGEDHN C#CCN1CCC(C(=O)NC[C@H](C)c2ccc(Br)cc2)CC1 ZINC000887409154 739370689 /nfs/dbraw/zinc/37/06/89/739370689.db2.gz ZDRXRMRUQUEXQA-AWEZNQCLSA-N 0 3 363.299 3.014 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892498129 740007200 /nfs/dbraw/zinc/00/72/00/740007200.db2.gz FAWUNQSNRWUYGB-YPMHNXCESA-N 0 3 364.804 3.476 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\C=C(Cl)Cl ZINC000900244816 743080649 /nfs/dbraw/zinc/08/06/49/743080649.db2.gz BUZVBQSPFIGDOO-HYXAFXHYSA-N 0 3 352.265 3.324 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000916878517 758149894 /nfs/dbraw/zinc/14/98/94/758149894.db2.gz ZRBIMCCSOAHGPE-CQSZACIVSA-N 0 3 356.344 3.099 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2cccc(Cl)c2)c1 ZINC000916893397 758151075 /nfs/dbraw/zinc/15/10/75/758151075.db2.gz ASQFQRDEELTHPC-INIZCTEOSA-N 0 3 358.781 3.075 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Cc3nccs3)C2)CC1 ZINC000917097556 758177011 /nfs/dbraw/zinc/17/70/11/758177011.db2.gz AXLIMDKRCKXVMA-MRXNPFEDSA-N 0 3 362.543 3.148 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)C1(C#N)CCSCC1)c1ccsc1 ZINC000930218564 760557012 /nfs/dbraw/zinc/55/70/12/760557012.db2.gz QUWSEESUYCSJHF-HNNXBMFYSA-N 0 3 351.541 3.284 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(CCCc2ccsc2)C1 ZINC000969691958 762860440 /nfs/dbraw/zinc/86/04/40/762860440.db2.gz JJWKWOYFQMSAEU-IPELMVKDSA-N 0 3 362.539 3.098 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC000970559756 762879682 /nfs/dbraw/zinc/87/96/82/762879682.db2.gz DVDTWLPHFSYOFQ-JVPBZIDWSA-N 0 3 362.539 3.283 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2cc(F)ccc2Cl)C1 ZINC000999427102 765160531 /nfs/dbraw/zinc/16/05/31/765160531.db2.gz FSFNCTVFDDTALR-IOTAOYMUSA-N 0 3 366.864 3.149 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021404944 765936727 /nfs/dbraw/zinc/93/67/27/765936727.db2.gz QUOUKPVZIZXTSZ-VPNNGKRCSA-N 0 3 352.906 3.222 20 30 FGEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001027415299 766091612 /nfs/dbraw/zinc/09/16/12/766091612.db2.gz IPEUPRBTFRKONI-YOTSKQKMSA-N 0 3 356.432 3.157 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cc(C)sc2C)C1 ZINC001027584878 766098878 /nfs/dbraw/zinc/09/88/78/766098878.db2.gz VEKMUHBPTYXWGB-OTWHNJEPSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033498828 766221131 /nfs/dbraw/zinc/22/11/31/766221131.db2.gz DUXMYGXYTPXZED-QYZOEREBSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1 ZINC001039147441 766293565 /nfs/dbraw/zinc/29/35/65/766293565.db2.gz WDSZJSFHZQVCHE-QRVBRYPASA-N 0 3 366.933 3.115 20 30 FGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC001040243835 766300976 /nfs/dbraw/zinc/30/09/76/766300976.db2.gz CPZVLPNTPAOLOV-JFIYKMOQSA-N 0 3 356.432 3.303 20 30 FGEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001045535031 766548652 /nfs/dbraw/zinc/54/86/52/766548652.db2.gz RZUACOTZMMLTTK-ZIAGYGMSSA-N 0 3 350.915 3.499 20 30 FGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001049551478 766793104 /nfs/dbraw/zinc/79/31/04/766793104.db2.gz GPSNKXBLUMCMAL-TWMKSMIVSA-N 0 3 356.432 3.444 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000097036355 209168717 /nfs/dbraw/zinc/16/87/17/209168717.db2.gz OXQWMKVAWMMAPW-UHFFFAOYSA-N 0 3 352.413 3.483 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000022817075 257334448 /nfs/dbraw/zinc/33/44/48/257334448.db2.gz JVWIZGDPTMZVHG-INIZCTEOSA-N 0 3 371.506 3.440 20 30 FGEDHN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C(C#N)CCc1ccccc1 ZINC000567941180 505579885 /nfs/dbraw/zinc/57/98/85/505579885.db2.gz NPDCXPIJYOQFJS-IAGOWNOFSA-N 0 3 351.454 3.125 20 30 FGEDHN C[C@H]1[C@H](NC(=O)NCc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000579587008 505581604 /nfs/dbraw/zinc/58/16/04/505581604.db2.gz QOIZGJSRXWBDLV-LAUBAEHRSA-N 0 3 362.477 3.215 20 30 FGEDHN CC(C)(C)c1csc(CCNC[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000570837262 505591819 /nfs/dbraw/zinc/59/18/19/505591819.db2.gz QAXOYWULZZDWLD-MRXNPFEDSA-N 0 3 373.522 3.079 20 30 FGEDHN C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1cc2n(n1)CCC2 ZINC000576804445 505599115 /nfs/dbraw/zinc/59/91/15/505599115.db2.gz GJVNBPIKFVTUAG-NXVRBGIVSA-N 0 3 351.454 3.137 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000576914114 505622760 /nfs/dbraw/zinc/62/27/60/505622760.db2.gz VCIFYCQLYTVCHU-HKBOAZHASA-N 0 3 372.509 3.462 20 30 FGEDHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598618133 507519105 /nfs/dbraw/zinc/51/91/05/507519105.db2.gz VCBKARIGSUWKFP-AAEUAGOBSA-N 0 3 355.276 3.409 20 30 FGEDHN CCc1nc(C)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000050316090 493909353 /nfs/dbraw/zinc/90/93/53/493909353.db2.gz NCOWOHSBRCGULL-UHFFFAOYSA-N 0 3 356.495 3.090 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081533029 493911514 /nfs/dbraw/zinc/91/15/14/493911514.db2.gz WIKBXDSFMQDIRZ-UTKZUKDTSA-N 0 3 362.477 3.092 20 30 FGEDHN CCN(C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000081582332 493922980 /nfs/dbraw/zinc/92/29/80/493922980.db2.gz QPJNUANQYLNJSF-INIZCTEOSA-N 0 3 355.404 3.143 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1Cc2ccccc2S1 ZINC000060576021 493946075 /nfs/dbraw/zinc/94/60/75/493946075.db2.gz VYJHLZRKABGJIL-HXUWFJFHSA-N 0 3 365.502 3.165 20 30 FGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000076812274 493974850 /nfs/dbraw/zinc/97/48/50/493974850.db2.gz JUQZWXDCXIHTNF-BPAFIMBUSA-N 0 3 354.425 3.315 20 30 FGEDHN COc1ccccc1COC[C@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000069520444 493978574 /nfs/dbraw/zinc/97/85/74/493978574.db2.gz AIWCFOUNYIYVKX-OAQYLSRUSA-N 0 3 368.477 3.355 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3sccc3C#N)cc2)CC1 ZINC000052035047 494001624 /nfs/dbraw/zinc/00/16/24/494001624.db2.gz FQROTPFZABZANM-UHFFFAOYSA-N 0 3 354.479 3.010 20 30 FGEDHN CCN(CCOc1ccc(C#N)cc1OC)Cc1ccc2c(c1)OCO2 ZINC000077248371 494041915 /nfs/dbraw/zinc/04/19/15/494041915.db2.gz HOVUSHXVYPAKTJ-UHFFFAOYSA-N 0 3 354.406 3.196 20 30 FGEDHN N#Cc1cccc(CNC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000070693456 494048517 /nfs/dbraw/zinc/04/85/17/494048517.db2.gz MKIQFUYBUQZKSU-AWEZNQCLSA-N 0 3 351.233 3.395 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000052705870 494054458 /nfs/dbraw/zinc/05/44/58/494054458.db2.gz MUDZQYMBQBLPAH-QFBILLFUSA-N 0 3 354.450 3.390 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052801477 494062188 /nfs/dbraw/zinc/06/21/88/494062188.db2.gz NKWXNBZTAJSSGJ-UHFFFAOYSA-N 0 3 350.422 3.221 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077498813 494097584 /nfs/dbraw/zinc/09/75/84/494097584.db2.gz LZMIBRLJWBEVSN-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN C[C@H](Sc1ccccn1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000084922431 494105668 /nfs/dbraw/zinc/10/56/68/494105668.db2.gz LVBVFJLDIPWNEI-INIZCTEOSA-N 0 3 368.506 3.024 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC#Cc1ccccc1 ZINC000077530084 494106273 /nfs/dbraw/zinc/10/62/73/494106273.db2.gz IDZSMFXGVIXZRI-HXUWFJFHSA-N 0 3 361.489 3.344 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000043024073 494258591 /nfs/dbraw/zinc/25/85/91/494258591.db2.gz GNKNFIQHGSHDMA-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN C=CCN(CC=C)C(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000072960596 494291666 /nfs/dbraw/zinc/29/16/66/494291666.db2.gz HEQYGEYFTAVBOH-UHFFFAOYSA-N 0 3 356.466 3.017 20 30 FGEDHN N#Cc1ccc(OCCNc2ccccc2CN2CCC(CO)CC2)cc1 ZINC000078404964 494292708 /nfs/dbraw/zinc/29/27/08/494292708.db2.gz FPXNYDKGKPKQLR-UHFFFAOYSA-N 0 3 365.477 3.253 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000066390380 494325028 /nfs/dbraw/zinc/32/50/28/494325028.db2.gz YVAGEOFIGYMQSE-QGZVFWFLSA-N 0 3 362.489 3.277 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2n1C ZINC000055388389 494335664 /nfs/dbraw/zinc/33/56/64/494335664.db2.gz MDRBJFZJZVUHLI-UHFFFAOYSA-N 0 3 360.461 3.254 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCCO[C@H]2CCCc3ccccc32)CC1 ZINC000073216076 494339650 /nfs/dbraw/zinc/33/96/50/494339650.db2.gz ZSQQPWQZDAXLTK-NRFANRHFSA-N 0 3 371.525 3.420 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1scnc1C)C(C)C ZINC000066699944 494389075 /nfs/dbraw/zinc/38/90/75/494389075.db2.gz IWNRBRYJORDZRD-INIZCTEOSA-N 0 3 350.532 3.292 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCN1CCCC1 ZINC000089900220 494396656 /nfs/dbraw/zinc/39/66/56/494396656.db2.gz IIBHUQYTYVIPSD-MRXNPFEDSA-N 0 3 360.527 3.047 20 30 FGEDHN COc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)cc1NC(C)=O ZINC000090107253 494442896 /nfs/dbraw/zinc/44/28/96/494442896.db2.gz NSDNWCMYRDHPEZ-CQSZACIVSA-N 0 3 353.422 3.255 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(C#N)cc1 ZINC000066984148 494451042 /nfs/dbraw/zinc/45/10/42/494451042.db2.gz ZQJVULQVKOCGHY-UHFFFAOYSA-N 0 3 364.493 3.264 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079504173 494468416 /nfs/dbraw/zinc/46/84/16/494468416.db2.gz NRZINJNVRYODKP-NRFANRHFSA-N 0 3 362.477 3.364 20 30 FGEDHN Cc1cc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000577395142 505720073 /nfs/dbraw/zinc/72/00/73/505720073.db2.gz JQJAMJSWVGAAEB-IBGZPJMESA-N 0 3 353.491 3.378 20 30 FGEDHN Cc1ccc(SC[C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000571397653 505724586 /nfs/dbraw/zinc/72/45/86/505724586.db2.gz NQUDFDZEMPCWLO-SJLPKXTDSA-N 0 3 356.491 3.377 20 30 FGEDHN C=CCn1c2ccccc2nc1SCC(=O)NC1CCN(C2CC2)CC1 ZINC000022351128 494520254 /nfs/dbraw/zinc/52/02/54/494520254.db2.gz CXGXXWDLITXENW-UHFFFAOYSA-N 0 3 370.522 3.057 20 30 FGEDHN CNC(=O)[C@H](CC(C)C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000067503072 494553957 /nfs/dbraw/zinc/55/39/57/494553957.db2.gz BSBRUQVBWJCUQZ-NRFANRHFSA-N 0 3 365.477 3.388 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCCCCC1 ZINC000074566114 494560536 /nfs/dbraw/zinc/56/05/36/494560536.db2.gz TVNFERNGYGOMMW-KRWDZBQOSA-N 0 3 355.482 3.193 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)N1CCCCC1 ZINC000046766237 494563371 /nfs/dbraw/zinc/56/33/71/494563371.db2.gz VSXLTBHKWBWULA-UHFFFAOYSA-N 0 3 373.497 3.107 20 30 FGEDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000023674163 494574909 /nfs/dbraw/zinc/57/49/09/494574909.db2.gz FFEIKMSHXSFUTM-RHSMWYFYSA-N 0 3 360.404 3.464 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023738118 494578008 /nfs/dbraw/zinc/57/80/08/494578008.db2.gz LKMUEUQDBIXMJC-UWJYYQICSA-N 0 3 363.461 3.279 20 30 FGEDHN C[C@H]1CN(c2ccc(CNC3CC(C#N)(c4ccccc4)C3)cn2)CCO1 ZINC000125940705 494582773 /nfs/dbraw/zinc/58/27/73/494582773.db2.gz FCIQOUZNOMMWOA-RYHLMMNBSA-N 0 3 362.477 3.020 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)C(C)C ZINC000046905630 494583064 /nfs/dbraw/zinc/58/30/64/494583064.db2.gz BALYKDNOIRDJIR-HXUWFJFHSA-N 0 3 354.498 3.398 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000047008961 494614695 /nfs/dbraw/zinc/61/46/95/494614695.db2.gz KHBPCUADFSALFX-UHFFFAOYSA-N 0 3 372.538 3.061 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000047008967 494614875 /nfs/dbraw/zinc/61/48/75/494614875.db2.gz NXDXIOUJCJBKTQ-UHFFFAOYSA-N 0 3 372.538 3.061 20 30 FGEDHN C=CCc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc(OC)c1OC ZINC000121146941 494616830 /nfs/dbraw/zinc/61/68/30/494616830.db2.gz ROHWJIQTZNYKRH-GOSISDBHSA-N 0 3 358.482 3.133 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)N(C)C)cc1 ZINC000067705312 494617225 /nfs/dbraw/zinc/61/72/25/494617225.db2.gz ONYNXAGGKVTGFA-HXUWFJFHSA-N 0 3 350.466 3.311 20 30 FGEDHN Cc1cccc(O[C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010560 494617525 /nfs/dbraw/zinc/61/75/25/494617525.db2.gz CLMBIGOHIJXBDY-SFHVURJKSA-N 0 3 365.477 3.224 20 30 FGEDHN CC(C)[C@H](CNc1cc(C#N)ccc1C(F)(F)F)N1CCN(C)CC1 ZINC000121153452 494620958 /nfs/dbraw/zinc/62/09/58/494620958.db2.gz DTGUKRHMZKWWGZ-KRWDZBQOSA-N 0 3 354.420 3.261 20 30 FGEDHN C=C(C)CN(CC)C(=O)CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000107898850 494621416 /nfs/dbraw/zinc/62/14/16/494621416.db2.gz DFOIEMLGZNZCSV-UHFFFAOYSA-N 0 3 350.890 3.360 20 30 FGEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000091619524 494629220 /nfs/dbraw/zinc/62/92/20/494629220.db2.gz BIIVMVLMBRWCLW-LJQANCHMSA-N 0 3 355.526 3.328 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)CC1 ZINC000126108002 494637740 /nfs/dbraw/zinc/63/77/40/494637740.db2.gz DQMUCRUTKPRHPU-UHFFFAOYSA-N 0 3 360.429 3.065 20 30 FGEDHN COc1cc(C)c(CN(C)CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000024805165 494665165 /nfs/dbraw/zinc/66/51/65/494665165.db2.gz WHRACAWMLVZNOC-UHFFFAOYSA-N 0 3 367.449 3.345 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000126212876 494674706 /nfs/dbraw/zinc/67/47/06/494674706.db2.gz MCCFYXCVPIPTER-AWEZNQCLSA-N 0 3 359.364 3.388 20 30 FGEDHN C[C@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1ccc(C#N)cc1 ZINC000057202364 494678094 /nfs/dbraw/zinc/67/80/94/494678094.db2.gz KJINDQYEXYVMAD-JXFKEZNVSA-N 0 3 350.466 3.091 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000108339715 494684202 /nfs/dbraw/zinc/68/42/02/494684202.db2.gz GNYKAEMVGPJSGA-QGZVFWFLSA-N 0 3 363.461 3.209 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](N2CCCCC2)C1 ZINC000108378012 494693139 /nfs/dbraw/zinc/69/31/39/494693139.db2.gz AOHJJYDNFQQIHA-QGZVFWFLSA-N 0 3 360.889 3.100 20 30 FGEDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000057371709 494723518 /nfs/dbraw/zinc/72/35/18/494723518.db2.gz WGPQEQCTEINEOP-KRWDZBQOSA-N 0 3 364.367 3.449 20 30 FGEDHN CC(C)N(C)C(=O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000091952458 494732558 /nfs/dbraw/zinc/73/25/58/494732558.db2.gz GJQHMWKKEHSALO-UHFFFAOYSA-N 0 3 357.498 3.448 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2CCCC[C@@H]2O)cc1OC ZINC000116343373 494765056 /nfs/dbraw/zinc/76/50/56/494765056.db2.gz QRGCJGWRHWLGDR-GJZGRUSLSA-N 0 3 370.287 3.416 20 30 FGEDHN Cc1ccccc1CN1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000026249707 494812968 /nfs/dbraw/zinc/81/29/68/494812968.db2.gz ZBYZXLJFCXQLQS-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000027207933 494856536 /nfs/dbraw/zinc/85/65/36/494856536.db2.gz ZUPKVGNQCQYOEU-FQEVSTJZSA-N 0 3 366.461 3.167 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000127003949 494877619 /nfs/dbraw/zinc/87/76/19/494877619.db2.gz SFMHAJQYPWOVBA-MAUKXSAKSA-N 0 3 374.529 3.462 20 30 FGEDHN N#Cc1ccsc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000127026963 494882429 /nfs/dbraw/zinc/88/24/29/494882429.db2.gz TZNOHKNAMCGUFX-UHFFFAOYSA-N 0 3 355.463 3.076 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000132508287 494885393 /nfs/dbraw/zinc/88/53/93/494885393.db2.gz RVFLWBKJBZSXCP-INIZCTEOSA-N 0 3 368.481 3.302 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000110257760 494962299 /nfs/dbraw/zinc/96/22/99/494962299.db2.gz MLAKSFICYNOIKA-UHFFFAOYSA-N 0 3 362.477 3.408 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000110710447 495002414 /nfs/dbraw/zinc/00/24/14/495002414.db2.gz RZAFLGITVBVRKR-UHFFFAOYSA-N 0 3 365.477 3.030 20 30 FGEDHN C[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000111504908 495083614 /nfs/dbraw/zinc/08/36/14/495083614.db2.gz IMPYTKTXZACSOS-KRWDZBQOSA-N 0 3 350.466 3.220 20 30 FGEDHN O=C(Nc1cccc(C#Cc2ccccn2)c1)NC1CCN(C2CC2)CC1 ZINC000111770123 495110095 /nfs/dbraw/zinc/11/00/95/495110095.db2.gz YVJXJWFZYFQXMH-UHFFFAOYSA-N 0 3 360.461 3.230 20 30 FGEDHN C=CC1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000111911943 495129468 /nfs/dbraw/zinc/12/94/68/495129468.db2.gz BZKFUQLWSRKTFM-UHFFFAOYSA-N 0 3 355.482 3.036 20 30 FGEDHN Cc1cc(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)ccc1C#N ZINC000571569290 505763208 /nfs/dbraw/zinc/76/32/08/505763208.db2.gz YJXWBRZXVUNJIN-GCJKJVERSA-N 0 3 350.462 3.409 20 30 FGEDHN N#Cc1ccc2ncc(CNCCOc3ncc(Cl)cc3Cl)n2c1 ZINC000134476556 495155669 /nfs/dbraw/zinc/15/56/69/495155669.db2.gz RSQVQCVHHHBQLA-UHFFFAOYSA-N 0 3 362.220 3.076 20 30 FGEDHN CCCCN(C)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000112310116 495173343 /nfs/dbraw/zinc/17/33/43/495173343.db2.gz ALKNWRVVDBSUHS-UHFFFAOYSA-N 0 3 355.438 3.192 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1C#N ZINC000134979065 495233903 /nfs/dbraw/zinc/23/39/03/495233903.db2.gz WHQUUBPNAZMKQK-QGZVFWFLSA-N 0 3 365.481 3.264 20 30 FGEDHN CCN(CC)CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000104394363 495282355 /nfs/dbraw/zinc/28/23/55/495282355.db2.gz FSUNUAJMACXIEL-HXUWFJFHSA-N 0 3 351.450 3.288 20 30 FGEDHN COc1ccc(CNC[C@@H](O)c2ccccc2F)cc1OCCCC#N ZINC000120001072 495286087 /nfs/dbraw/zinc/28/60/87/495286087.db2.gz LWKWGVCPPQJOHK-GOSISDBHSA-N 0 3 358.413 3.340 20 30 FGEDHN N#Cc1cc(F)c(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)c(F)c1 ZINC000129946142 495318429 /nfs/dbraw/zinc/31/84/29/495318429.db2.gz DVCDCOGCSULMTC-MRXNPFEDSA-N 0 3 355.388 3.231 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114644400 495404236 /nfs/dbraw/zinc/40/42/36/495404236.db2.gz INIQPSCANLYYIV-XLIONFOSSA-N 0 3 363.461 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(C)=O)c(SC)c2)CC1 ZINC000106036001 495405660 /nfs/dbraw/zinc/40/56/60/495405660.db2.gz IBADMZHWOCHICI-UHFFFAOYSA-N 0 3 361.511 3.137 20 30 FGEDHN N#C[C@H](NC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CCCCC1 ZINC000120694459 495437348 /nfs/dbraw/zinc/43/73/48/495437348.db2.gz AQZNAGGDIBXUQB-NRFANRHFSA-N 0 3 369.509 3.093 20 30 FGEDHN C=CCC[C@H](NC(=O)NC[C@H](O)CN1CCC(C)CC1)c1ccccc1 ZINC000130976685 495474081 /nfs/dbraw/zinc/47/40/81/495474081.db2.gz BGAGALVXDVCSKL-PMACEKPBSA-N 0 3 359.514 3.086 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000115253995 495480732 /nfs/dbraw/zinc/48/07/32/495480732.db2.gz AIRWQGATAYDXKM-QFIPXVFZSA-N 0 3 361.489 3.135 20 30 FGEDHN C=CCOc1ccc(CN2CCC(C(=O)NCCCC)CC2)cc1OC ZINC000179330804 495545006 /nfs/dbraw/zinc/54/50/06/495545006.db2.gz LDDQWRREURVUTF-UHFFFAOYSA-N 0 3 360.498 3.388 20 30 FGEDHN Cc1cc(C)c(C#N)c(SC[C@H](O)CN2CCc3ccccc3C2)n1 ZINC000145313086 495554998 /nfs/dbraw/zinc/55/49/98/495554998.db2.gz CKUYVSBIFOJIHX-GOSISDBHSA-N 0 3 353.491 3.081 20 30 FGEDHN CCn1c(NC(=O)C2Oc3ccccc3O[C@@H]2C)nc2cc(C#N)ccc21 ZINC000179534257 495631634 /nfs/dbraw/zinc/63/16/34/495631634.db2.gz GZTYUSKVXZWHRF-XIKOKIGWSA-N 0 3 362.389 3.095 20 30 FGEDHN N#Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000154572468 495657754 /nfs/dbraw/zinc/65/77/54/495657754.db2.gz OMRGJTQQMFUHKV-UHFFFAOYSA-N 0 3 353.853 3.390 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Oc2ccccc2Cl)CC1 ZINC000176498778 495674168 /nfs/dbraw/zinc/67/41/68/495674168.db2.gz WXVDDOVZXXEZKE-HNNXBMFYSA-N 0 3 365.905 3.447 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCC(=O)OC(C)(C)C ZINC000150935021 495685922 /nfs/dbraw/zinc/68/59/22/495685922.db2.gz OYEQRAVKTIHHHO-UHFFFAOYSA-N 0 3 365.861 3.204 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000182750404 495687218 /nfs/dbraw/zinc/68/72/18/495687218.db2.gz JGGRGIJSOGJPCP-YLJYHZDGSA-N 0 3 359.514 3.187 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000171144992 495742745 /nfs/dbraw/zinc/74/27/45/495742745.db2.gz YOKHIXBPKHBKEN-UHFFFAOYSA-N 0 3 353.470 3.498 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3nnco3)ccc2C)CC1 ZINC000151173478 495761437 /nfs/dbraw/zinc/76/14/37/495761437.db2.gz AUXIAEGTRZWOOG-UHFFFAOYSA-N 0 3 355.442 3.207 20 30 FGEDHN N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(C2CCOCC2)CC1 ZINC000176742655 495769405 /nfs/dbraw/zinc/76/94/05/495769405.db2.gz SWCMMNAEZDEAMT-UHFFFAOYSA-N 0 3 374.847 3.200 20 30 FGEDHN Cn1cc(CN2CCN(C3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179913288 495780576 /nfs/dbraw/zinc/78/05/76/495780576.db2.gz GPQXSGAGBYLARC-UHFFFAOYSA-N 0 3 363.509 3.409 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnc(OCC(C)C)c(Cl)c2)CC1 ZINC000183101374 495834506 /nfs/dbraw/zinc/83/45/06/495834506.db2.gz KRDFTAAOWPAIJU-UHFFFAOYSA-N 0 3 351.878 3.150 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNCc2ccc(C#N)s2)CC1 ZINC000176949028 495853125 /nfs/dbraw/zinc/85/31/25/495853125.db2.gz FUSCVIUSUFEVGO-UHFFFAOYSA-N 0 3 354.523 3.047 20 30 FGEDHN C=CCN1CCC(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000174200354 495860792 /nfs/dbraw/zinc/86/07/92/495860792.db2.gz XPGFOPVAYCRORK-AWEZNQCLSA-N 0 3 358.511 3.124 20 30 FGEDHN Cn1ncc2c1CCC[C@H]2N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160197629 495906725 /nfs/dbraw/zinc/90/67/25/495906725.db2.gz SANHAEIWIQTGIH-MAUKXSAKSA-N 0 3 353.445 3.067 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCSCc2ccccc2C#N)CC1 ZINC000171553203 495924276 /nfs/dbraw/zinc/92/42/76/495924276.db2.gz ILWBTWXJCULLTQ-UHFFFAOYSA-N 0 3 372.538 3.131 20 30 FGEDHN Cc1noc(C2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000171631999 495956747 /nfs/dbraw/zinc/95/67/47/495956747.db2.gz FQHFGSXBQALYAC-UHFFFAOYSA-N 0 3 373.844 3.111 20 30 FGEDHN Cn1cc(CNC[C@@](C)(O)c2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180349359 495962487 /nfs/dbraw/zinc/96/24/87/495962487.db2.gz QVGIEIWEEUAUQI-OAQYLSRUSA-N 0 3 364.424 3.095 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000177239877 495989485 /nfs/dbraw/zinc/98/94/85/495989485.db2.gz WGEWRDHJUHZNPL-UHFFFAOYSA-N 0 3 371.403 3.377 20 30 FGEDHN CN(Cc1ccc(F)cc1C#N)C1CCN(CCc2ccccn2)CC1 ZINC000177259133 495996764 /nfs/dbraw/zinc/99/67/64/495996764.db2.gz ZNTHFWHBMJPZML-UHFFFAOYSA-N 0 3 352.457 3.231 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000171722320 496007568 /nfs/dbraw/zinc/00/75/68/496007568.db2.gz DTMQPPNXYFCHQJ-UHFFFAOYSA-N 0 3 356.297 3.486 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2cc(OC)ccc2OC)C2CC2)CC1 ZINC000171737199 496013403 /nfs/dbraw/zinc/01/34/03/496013403.db2.gz QVICGYYDRSROPA-UHFFFAOYSA-N 0 3 373.497 3.028 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000580703657 505818920 /nfs/dbraw/zinc/81/89/20/505818920.db2.gz HHTHVMUASJSGOG-UYAOXDASSA-N 0 3 352.482 3.252 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000155718924 496046348 /nfs/dbraw/zinc/04/63/48/496046348.db2.gz SXWCVFMCHQSOMV-UHFFFAOYSA-N 0 3 364.405 3.460 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000183680805 496077003 /nfs/dbraw/zinc/07/70/03/496077003.db2.gz XKWGHBFNDFQYQH-YOEHRIQHSA-N 0 3 363.527 3.406 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183686255 496079056 /nfs/dbraw/zinc/07/90/56/496079056.db2.gz FFZNQQYZOFWCAC-IAGOWNOFSA-N 0 3 352.482 3.420 20 30 FGEDHN Cc1ccccc1NC(=O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000174732128 496081199 /nfs/dbraw/zinc/08/11/99/496081199.db2.gz YMTPJLFAUKVELR-UHFFFAOYSA-N 0 3 362.477 3.408 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3ccc(F)cc3C#N)CC2)C[C@@H](C)O1 ZINC000177500813 496087747 /nfs/dbraw/zinc/08/77/47/496087747.db2.gz KHZAASFGBDIAMN-IAGOWNOFSA-N 0 3 359.489 3.409 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180853168 496171958 /nfs/dbraw/zinc/17/19/58/496171958.db2.gz WWVJPKKHJHAPQA-MRXNPFEDSA-N 0 3 362.433 3.482 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C#N)cc3C)cc2)CC1 ZINC000161493930 496186451 /nfs/dbraw/zinc/18/64/51/496186451.db2.gz IFLLWVQKDRQJDV-UHFFFAOYSA-N 0 3 362.477 3.257 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cccc1F ZINC000161781368 496237136 /nfs/dbraw/zinc/23/71/36/496237136.db2.gz PJRRZOBTUXVFEP-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@@H](C)O1 ZINC000177916318 496250581 /nfs/dbraw/zinc/25/05/81/496250581.db2.gz JETOIOMXAWSCPE-HUUCEWRRSA-N 0 3 374.460 3.050 20 30 FGEDHN C=C(C)[C@H](CC(=O)N1CCN(c2ccnc3ccccc32)CC1)OCC ZINC000574699058 505834951 /nfs/dbraw/zinc/83/49/51/505834951.db2.gz LSOIZXWGKKFPHJ-FQEVSTJZSA-N 0 3 353.466 3.255 20 30 FGEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cnnn2)cc1 ZINC000181213393 496314181 /nfs/dbraw/zinc/31/41/81/496314181.db2.gz JKZFCBKCHWKOBX-CQSZACIVSA-N 0 3 371.366 3.383 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CC1 ZINC000172503610 496320312 /nfs/dbraw/zinc/32/03/12/496320312.db2.gz LZOVKXUFAKHCJN-UHFFFAOYSA-N 0 3 373.497 3.325 20 30 FGEDHN N#Cc1ccc(CN(C[C@H](O)COc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000178091333 496326394 /nfs/dbraw/zinc/32/63/94/496326394.db2.gz YYNVVSATAOPRBJ-IBGZPJMESA-N 0 3 361.445 3.444 20 30 FGEDHN Cc1cccc(NC2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000153033216 496332582 /nfs/dbraw/zinc/33/25/82/496332582.db2.gz LKWNTNIOLQJSRE-OAQYLSRUSA-N 0 3 365.477 3.183 20 30 FGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181294615 496343871 /nfs/dbraw/zinc/34/38/71/496343871.db2.gz KIPDQGSKSFYPQV-OAHLLOKOSA-N 0 3 351.406 3.244 20 30 FGEDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(C#N)c1 ZINC000181509548 496424811 /nfs/dbraw/zinc/42/48/11/496424811.db2.gz AITVLHHROSUIGJ-BBWFWOEESA-N 0 3 350.466 3.418 20 30 FGEDHN COc1cc(CN2CC[C@@H](NCc3ccc(C#N)s3)C2)cc(OC)c1 ZINC000153362866 496431267 /nfs/dbraw/zinc/43/12/67/496431267.db2.gz FWVIRWJNLCKGAM-OAHLLOKOSA-N 0 3 357.479 3.001 20 30 FGEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCN(C)C ZINC000181585608 496457800 /nfs/dbraw/zinc/45/78/00/496457800.db2.gz BBWXTQMFTYMXDW-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000181621994 496473673 /nfs/dbraw/zinc/47/36/73/496473673.db2.gz WHGVKAXJKOMYPI-UHFFFAOYSA-N 0 3 365.315 3.457 20 30 FGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000599348411 506423306 /nfs/dbraw/zinc/42/33/06/506423306.db2.gz KJLZWOJPYHUCFA-KGLIPLIRSA-N 0 3 354.397 3.010 20 30 FGEDHN COC[C@@](C)(CCO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000175853905 496573638 /nfs/dbraw/zinc/57/36/38/496573638.db2.gz RNGWDRITTJCGBG-OAQYLSRUSA-N 0 3 354.450 3.014 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000173199474 496590356 /nfs/dbraw/zinc/59/03/56/496590356.db2.gz VYPDGCJKDSTCAC-FPOVZHCZSA-N 0 3 371.525 3.412 20 30 FGEDHN N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CNCCC3(F)F)cc2)cc1 ZINC000580880551 505859706 /nfs/dbraw/zinc/85/97/06/505859706.db2.gz UUUHRMSBUQBTKK-QGZVFWFLSA-N 0 3 372.375 3.469 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC#N)CCN1Cc1ccccc1 ZINC000176120720 496692024 /nfs/dbraw/zinc/69/20/24/496692024.db2.gz GKTXDYFMHPUQIL-MJGOQNOKSA-N 0 3 363.461 3.372 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)c2ccccc2OCC#N)CCN1Cc1ccccc1 ZINC000176120706 496692819 /nfs/dbraw/zinc/69/28/19/496692819.db2.gz GKTXDYFMHPUQIL-PKOBYXMFSA-N 0 3 363.461 3.372 20 30 FGEDHN N#Cc1ccc(CN2CCCN(C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000182161822 496692898 /nfs/dbraw/zinc/69/28/98/496692898.db2.gz ZRAGKWMSABIQQY-QHCPKHFHSA-N 0 3 363.505 3.060 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc2c(c1)CCS2(=O)=O ZINC000578107947 505862741 /nfs/dbraw/zinc/86/27/41/505862741.db2.gz YWNIYUVJHHANSE-FQEVSTJZSA-N 0 3 366.486 3.445 20 30 FGEDHN CN1CCC[C@]2(CCN(c3cc(Br)c(C#N)cc3F)C2)C1 ZINC000580901948 505864376 /nfs/dbraw/zinc/86/43/76/505864376.db2.gz DGKHTKCPCXTKAA-INIZCTEOSA-N 0 3 352.251 3.382 20 30 FGEDHN CN1CCC[C@@]2(CCN(c3cc(Br)c(C#N)cc3F)C2)C1 ZINC000580901949 505864545 /nfs/dbraw/zinc/86/45/45/505864545.db2.gz DGKHTKCPCXTKAA-MRXNPFEDSA-N 0 3 352.251 3.382 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2CCOC[C@H]2C)c1C#N ZINC000277490605 496789606 /nfs/dbraw/zinc/78/96/06/496789606.db2.gz OSKNPWHMRCAOKI-AUUYWEPGSA-N 0 3 372.513 3.435 20 30 FGEDHN CN(CCN1CCN(CCCCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000277682607 496851048 /nfs/dbraw/zinc/85/10/48/496851048.db2.gz KQDVBBYYGFAUIR-UHFFFAOYSA-N 0 3 356.558 3.456 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000264338640 496875427 /nfs/dbraw/zinc/87/54/27/496875427.db2.gz HSVBZBHEICMWIT-SFHVURJKSA-N 0 3 373.497 3.201 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2cccc3cccnc32)CC1 ZINC000264356846 496880908 /nfs/dbraw/zinc/88/09/08/496880908.db2.gz FIUPHBNDKAXUSR-UHFFFAOYSA-N 0 3 352.482 3.117 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000569187167 505871863 /nfs/dbraw/zinc/87/18/63/505871863.db2.gz UPSHXYYATUNYAI-GMLUQMLDSA-N 0 3 357.498 3.187 20 30 FGEDHN COc1cnccc1[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000188784866 496908320 /nfs/dbraw/zinc/90/83/20/496908320.db2.gz QHLYHEHHUHPNSY-MRXNPFEDSA-N 0 3 350.466 3.277 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000572028962 505873065 /nfs/dbraw/zinc/87/30/65/505873065.db2.gz MBGWWMLYPISFIS-FPOVZHCZSA-N 0 3 371.912 3.420 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)CC1 ZINC000264503324 496915532 /nfs/dbraw/zinc/91/55/32/496915532.db2.gz QZDSLTQANXKAAF-UHFFFAOYSA-N 0 3 366.509 3.319 20 30 FGEDHN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H](N)CCCC#N)cn2)c1 ZINC000574881184 505874927 /nfs/dbraw/zinc/87/49/27/505874927.db2.gz QTBGATCZDBSUNA-QGZVFWFLSA-N 0 3 352.438 3.128 20 30 FGEDHN N#CCOc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000277930406 496940759 /nfs/dbraw/zinc/94/07/59/496940759.db2.gz YQEZGUAPDNTYKT-UHFFFAOYSA-N 0 3 350.462 3.406 20 30 FGEDHN CN(C)CCOc1ccccc1-c1noc(COc2ccc(C#N)cc2)n1 ZINC000273967593 496975347 /nfs/dbraw/zinc/97/53/47/496975347.db2.gz VAZACIWCNBSNQM-UHFFFAOYSA-N 0 3 364.405 3.128 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3ccc(C#N)c(F)c3)CC2)C[C@@H](C)O1 ZINC000192061258 496980582 /nfs/dbraw/zinc/98/05/82/496980582.db2.gz LAKPKXIHIOXJPX-IAGOWNOFSA-N 0 3 359.489 3.409 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000192133721 497006457 /nfs/dbraw/zinc/00/64/57/497006457.db2.gz NCKMBQPWEQXGNW-UYAOXDASSA-N 0 3 371.387 3.285 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000269980816 497036064 /nfs/dbraw/zinc/03/60/64/497036064.db2.gz RADYECXWUMXHQM-MTFMMBMASA-N 0 3 367.493 3.259 20 30 FGEDHN C=CCC[C@H](O)CN1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192342929 497080043 /nfs/dbraw/zinc/08/00/43/497080043.db2.gz CUVFQVHQUHBXHD-INIZCTEOSA-N 0 3 357.454 3.252 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@H](O)C2(C)C)cc1OC ZINC000189346116 497088984 /nfs/dbraw/zinc/08/89/84/497088984.db2.gz CSJXKLUXOZQOLP-GJZGRUSLSA-N 0 3 370.287 3.272 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2nccs2)C(=S)[N-]C(C2CC2)C2CC2)c1 ZINC000278366029 497089279 /nfs/dbraw/zinc/08/92/79/497089279.db2.gz YXFMHAXHWZJSGZ-UHFFFAOYSA-O 0 3 372.539 3.456 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000248741210 497095367 /nfs/dbraw/zinc/09/53/67/497095367.db2.gz AAZDXWVUSQQDJD-BMFZPTHFSA-N 0 3 365.399 3.478 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278741941 497206202 /nfs/dbraw/zinc/20/62/02/497206202.db2.gz AHEJAHWVUBIWID-QGZVFWFLSA-N 0 3 358.530 3.212 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(C)(C)C)on1 ZINC000266025942 497235034 /nfs/dbraw/zinc/23/50/34/497235034.db2.gz MLZYTSNIICDHBT-UHFFFAOYSA-N 0 3 354.454 3.048 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3ccco3)nn2C(C)C)CC1 ZINC000278880030 497253658 /nfs/dbraw/zinc/25/36/58/497253658.db2.gz CUNQTJYPFJMLPL-UHFFFAOYSA-N 0 3 357.458 3.496 20 30 FGEDHN COc1ccc(CN2CCC(C3(C)OCCO3)CC2)cc1OCCCC#N ZINC000271157369 497276555 /nfs/dbraw/zinc/27/65/55/497276555.db2.gz DNRUUQAHWSUBNB-UHFFFAOYSA-N 0 3 374.481 3.353 20 30 FGEDHN CCOCCOCc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000266211377 497281386 /nfs/dbraw/zinc/28/13/86/497281386.db2.gz OIFRKWNZGOYTQG-UHFFFAOYSA-N 0 3 354.450 3.410 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OCCCC#N ZINC000271275062 497309634 /nfs/dbraw/zinc/30/96/34/497309634.db2.gz KPYAFRVEQPEQBW-QGZVFWFLSA-N 0 3 369.469 3.184 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OCCCC#N ZINC000271275062 497309639 /nfs/dbraw/zinc/30/96/39/497309639.db2.gz KPYAFRVEQPEQBW-QGZVFWFLSA-N 0 3 369.469 3.184 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000574994988 505900600 /nfs/dbraw/zinc/90/06/00/505900600.db2.gz RTPRSEZCDIBPOK-VQIMIIECSA-N 0 3 352.906 3.330 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCO[C@@H]2c2nccn2CC)ccc1OC ZINC000275512956 497349419 /nfs/dbraw/zinc/34/94/19/497349419.db2.gz KMCJUJXISDCGLD-PXNSSMCTSA-N 0 3 371.481 3.486 20 30 FGEDHN Cn1cc(CN2C[C@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)cc1C#N ZINC000581071698 505903926 /nfs/dbraw/zinc/90/39/26/505903926.db2.gz NHGJXJCNPRMEMB-UXHICEINSA-N 0 3 365.477 3.454 20 30 FGEDHN Cc1c(NC(=O)CCN[C@@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000271693331 497420075 /nfs/dbraw/zinc/42/00/75/497420075.db2.gz RYIJFXDDICWKEH-AWEZNQCLSA-N 0 3 352.394 3.454 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H]2CCCOC2)c1 ZINC000245498366 497430754 /nfs/dbraw/zinc/43/07/54/497430754.db2.gz VXXXFQWXXRJJKA-RTBURBONSA-N 0 3 357.498 3.297 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000245587691 497466842 /nfs/dbraw/zinc/46/68/42/497466842.db2.gz JUYCWQZPENZYNX-RTBURBONSA-N 0 3 355.482 3.332 20 30 FGEDHN CCNC(=O)COc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271974187 497501276 /nfs/dbraw/zinc/50/12/76/497501276.db2.gz XIKFKJRFIQQVTR-AWEZNQCLSA-N 0 3 355.413 3.063 20 30 FGEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC2 ZINC000190613959 497546874 /nfs/dbraw/zinc/54/68/74/497546874.db2.gz DHDDBIIKQZVMPA-AOMKIAJQSA-N 0 3 359.473 3.499 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000279805176 497547566 /nfs/dbraw/zinc/54/75/66/497547566.db2.gz ITRPHWRGEOYAPD-UHFFFAOYSA-N 0 3 355.482 3.049 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000272240179 497574355 /nfs/dbraw/zinc/57/43/55/497574355.db2.gz GSRBAUUYUYZQJE-QGZVFWFLSA-N 0 3 352.400 3.012 20 30 FGEDHN CN(C)C(=O)Nc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000279916707 497586891 /nfs/dbraw/zinc/58/68/91/497586891.db2.gz STHIWJZMQYZPMQ-UHFFFAOYSA-N 0 3 365.481 3.420 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000272527450 497651363 /nfs/dbraw/zinc/65/13/63/497651363.db2.gz ZEDHTFFGCXAIAX-IAQYHMDHSA-N 0 3 352.360 3.135 20 30 FGEDHN CC[C@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272707931 497708997 /nfs/dbraw/zinc/70/89/97/497708997.db2.gz HSUGPVMFWDHSSG-UXHICEINSA-N 0 3 357.498 3.044 20 30 FGEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000280313438 497716843 /nfs/dbraw/zinc/71/68/43/497716843.db2.gz GGGLUCSNAGCIPI-PKOBYXMFSA-N 0 3 367.836 3.398 20 30 FGEDHN CCO[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280417246 497746898 /nfs/dbraw/zinc/74/68/98/497746898.db2.gz LUKULXMQPSDEQB-UXHICEINSA-N 0 3 353.466 3.342 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000280453663 497759115 /nfs/dbraw/zinc/75/91/15/497759115.db2.gz NWLFFEDCLLTEKS-VQTJNVASSA-N 0 3 358.445 3.026 20 30 FGEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCCC2 ZINC000280605710 497823212 /nfs/dbraw/zinc/82/32/12/497823212.db2.gz XKEPRQOLWMLPIE-GBESFXJTSA-N 0 3 351.450 3.095 20 30 FGEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCCC2 ZINC000280605706 497823256 /nfs/dbraw/zinc/82/32/56/497823256.db2.gz XKEPRQOLWMLPIE-CEXWTWQISA-N 0 3 351.450 3.095 20 30 FGEDHN C[C@]12CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000284564454 497829763 /nfs/dbraw/zinc/82/97/63/497829763.db2.gz QQZOOVTXRACBCJ-UXLLHSPISA-N 0 3 362.260 3.283 20 30 FGEDHN Cc1nn(C)c2cc(NC(=O)N3CCN(C4CCCCC4)CC3)ccc12 ZINC000329598123 497840066 /nfs/dbraw/zinc/84/00/66/497840066.db2.gz CYTAZVWLBVEVQB-UHFFFAOYSA-N 0 3 355.486 3.378 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)OCC ZINC000284676400 497863332 /nfs/dbraw/zinc/86/33/32/497863332.db2.gz MTWVURXWOJXNBH-HXUWFJFHSA-N 0 3 360.498 3.147 20 30 FGEDHN C[C@]1(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCO[C@@H]1C1CC1 ZINC000329749108 497888553 /nfs/dbraw/zinc/88/85/53/497888553.db2.gz HFLRRXPGTPLCDT-ZVDOUQERSA-N 0 3 357.498 3.112 20 30 FGEDHN CN1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)[C@@H]1c1ccccc1 ZINC000329757267 497890860 /nfs/dbraw/zinc/89/08/60/497890860.db2.gz MTQPMHWGDUIOPT-WHZJULEDSA-N 0 3 371.525 3.361 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)CSc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000575209198 505943214 /nfs/dbraw/zinc/94/32/14/505943214.db2.gz OPWWEWQPXVZSTC-UZLBHIALSA-N 0 3 365.502 3.430 20 30 FGEDHN C[C@H]1CN(C2CCN(Cc3ccc(F)c(C#N)c3Cl)CC2)CCO1 ZINC000364333189 497905668 /nfs/dbraw/zinc/90/56/68/497905668.db2.gz SISJNVQFKBGCEO-ZDUSSCGKSA-N 0 3 351.853 3.036 20 30 FGEDHN CC[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000299733079 497911220 /nfs/dbraw/zinc/91/12/20/497911220.db2.gz YFEKZHXRAYJUOB-KRWDZBQOSA-N 0 3 365.433 3.399 20 30 FGEDHN O[C@H](CNCC#Cc1cccc(F)c1)CO[C@@H]1CCCc2ccccc21 ZINC000572357465 505949447 /nfs/dbraw/zinc/94/94/47/505949447.db2.gz WYEAHLYBBZKVLY-IFMALSPDSA-N 0 3 353.437 3.222 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)COc2ccccc2C#N)N(C)C)cc1 ZINC000569498489 505949720 /nfs/dbraw/zinc/94/97/20/505949720.db2.gz NMGLJJSMEVQDHE-SFHVURJKSA-N 0 3 369.490 3.078 20 30 FGEDHN Cn1cc(CN[C@@H]2C[C@@H](CO)c3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000364386225 497931593 /nfs/dbraw/zinc/93/15/93/497931593.db2.gz QUQZQDOYPGHTHV-LAUBAEHRSA-N 0 3 358.445 3.269 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cccc(F)c2C#N)C1 ZINC000364416078 497945177 /nfs/dbraw/zinc/94/51/77/497945177.db2.gz KZHORNRIHJWWSC-UHFFFAOYSA-N 0 3 367.424 3.079 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000329902345 497947330 /nfs/dbraw/zinc/94/73/30/497947330.db2.gz PICPSSSMXPLOCH-TXEJJXNPSA-N 0 3 358.421 3.140 20 30 FGEDHN CCn1c2ccccc2nc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281015972 497988677 /nfs/dbraw/zinc/98/86/77/497988677.db2.gz VLEMMDIFLXONRN-QAPCUYQASA-N 0 3 371.444 3.488 20 30 FGEDHN CN1CCN(CCCNc2ccc(Cl)c(C#N)n2)[C@H](c2ccccc2)C1 ZINC000301188320 497990869 /nfs/dbraw/zinc/99/08/69/497990869.db2.gz WSYWYXBMDUKVJB-IBGZPJMESA-N 0 3 369.900 3.397 20 30 FGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000292384735 497995290 /nfs/dbraw/zinc/99/52/90/497995290.db2.gz XOTJJVLMZIMJSD-IEBWSBKVSA-N 0 3 371.481 3.420 20 30 FGEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000285205978 498020890 /nfs/dbraw/zinc/02/08/90/498020890.db2.gz TVFAVGCVHMLWJX-VQIMIIECSA-N 0 3 363.461 3.196 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000330128844 498031531 /nfs/dbraw/zinc/03/15/31/498031531.db2.gz DQDLDISFFBRMSW-PIKOESSRSA-N 0 3 359.514 3.388 20 30 FGEDHN N#Cc1cnc2c(Cl)cccc2c1N1CCC(CN2CCOCC2)CC1 ZINC000581366586 505972568 /nfs/dbraw/zinc/97/25/68/505972568.db2.gz LIHIDTFNOFUCGJ-UHFFFAOYSA-N 0 3 370.884 3.308 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(NC[C@H](C(C)C)N3CCN(C)CC3)c2c1 ZINC000301383288 498085329 /nfs/dbraw/zinc/08/53/29/498085329.db2.gz VPLHMNXYQWKXRG-HXUWFJFHSA-N 0 3 365.525 3.407 20 30 FGEDHN C=CCN1CCC(Nc2ccnc(C(=O)NCc3ccccc3)c2)CC1 ZINC000301392499 498090234 /nfs/dbraw/zinc/09/02/34/498090234.db2.gz IDNTXGFFQUXHIW-UHFFFAOYSA-N 0 3 350.466 3.074 20 30 FGEDHN Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cccc(CN3CCCC3)c2)cnn1C ZINC000330278824 498090753 /nfs/dbraw/zinc/09/07/53/498090753.db2.gz QDEQVLRIZKUQCR-VQTJNVASSA-N 0 3 368.481 3.159 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)N[C@@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000330319919 498104099 /nfs/dbraw/zinc/10/40/99/498104099.db2.gz DRIZSYCSAXETCB-QXAKKESOSA-N 0 3 359.518 3.148 20 30 FGEDHN CO[C@]1(C)C[C@H](NC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1(C)C ZINC000330328527 498106933 /nfs/dbraw/zinc/10/69/33/498106933.db2.gz LTAHBDUCUMRHNU-RYLXDESZSA-N 0 3 374.529 3.124 20 30 FGEDHN CC(C)(CNC(=O)N1CC[C@@H](O)C12CCCC2)N1CCc2ccccc2C1 ZINC000330357636 498117133 /nfs/dbraw/zinc/11/71/33/498117133.db2.gz TUKFVVWIZKEYSZ-LJQANCHMSA-N 0 3 371.525 3.117 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285547798 498125556 /nfs/dbraw/zinc/12/55/56/498125556.db2.gz MAFXCASAGAOHOV-SJORKVTESA-N 0 3 359.539 3.462 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(C)C2(CCCCC2)C1 ZINC000578639525 505987543 /nfs/dbraw/zinc/98/75/43/505987543.db2.gz ANTZVUKFHGBHCI-SCCNAQOGSA-N 0 3 374.573 3.256 20 30 FGEDHN N#CCCn1cc(CN2CCOC[C@@H](C3CCC3)C2)c(-c2ccncc2)n1 ZINC000292805501 498154233 /nfs/dbraw/zinc/15/42/33/498154233.db2.gz OBEAXYDFDYTSCG-FQEVSTJZSA-N 0 3 365.481 3.107 20 30 FGEDHN Cn1cc(CN2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1C#N ZINC000364829814 498163875 /nfs/dbraw/zinc/16/38/75/498163875.db2.gz GOFLOBMXNDPQCJ-CGTJXYLNSA-N 0 3 358.486 3.022 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285697243 498174296 /nfs/dbraw/zinc/17/42/96/498174296.db2.gz VRLXAYVTZYCOSY-CKEIUWERSA-N 0 3 360.889 3.097 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301595022 498179168 /nfs/dbraw/zinc/17/91/68/498179168.db2.gz YTOZPNGRPPYXLF-HOTGVXAUSA-N 0 3 372.469 3.182 20 30 FGEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000289565015 498195257 /nfs/dbraw/zinc/19/52/57/498195257.db2.gz VHKNHSRBBXAOOJ-OAQYLSRUSA-N 0 3 374.484 3.315 20 30 FGEDHN C#Cc1ccccc1CC(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000289565010 498196139 /nfs/dbraw/zinc/19/61/39/498196139.db2.gz VHKNHSRBBXAOOJ-NRFANRHFSA-N 0 3 374.484 3.315 20 30 FGEDHN CN1CCN(C[C@H]2CCCN(c3ccc(C#N)cc3C(F)(F)F)C2)CC1 ZINC000364901114 498199951 /nfs/dbraw/zinc/19/99/51/498199951.db2.gz JHNIKUMEIXYFQQ-MRXNPFEDSA-N 0 3 366.431 3.041 20 30 FGEDHN N#C[C@H]1CCC[C@H](NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000289597738 498210832 /nfs/dbraw/zinc/21/08/32/498210832.db2.gz BKKOXIWLONRURZ-RDJZCZTQSA-N 0 3 366.465 3.228 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000578691973 505998520 /nfs/dbraw/zinc/99/85/20/505998520.db2.gz ULWYFRPLKLYMEH-NMLACTOBSA-N 0 3 355.482 3.148 20 30 FGEDHN CCN1CCC[C@H](NC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000331142787 498261060 /nfs/dbraw/zinc/26/10/60/498261060.db2.gz FYGVMQAIMSFEEL-UWVGGRQHSA-N 0 3 350.410 3.211 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1C#N ZINC000297038328 498298698 /nfs/dbraw/zinc/29/86/98/498298698.db2.gz KEPABFNOXVOUPQ-HXUWFJFHSA-N 0 3 356.470 3.295 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1C#N ZINC000297038324 498298968 /nfs/dbraw/zinc/29/89/68/498298968.db2.gz KEPABFNOXVOUPQ-FQEVSTJZSA-N 0 3 356.470 3.295 20 30 FGEDHN CN(C(=O)CN1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O)C1(C#N)CCCCC1 ZINC000331522239 498359998 /nfs/dbraw/zinc/35/99/98/498359998.db2.gz CVZUNEUKTNVGOC-NLWGTHIKSA-N 0 3 361.530 3.077 20 30 FGEDHN CN(CCCC1(C#N)CCOCC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000282086517 498379541 /nfs/dbraw/zinc/37/95/41/498379541.db2.gz UYBXYNXCFHBELI-IBGZPJMESA-N 0 3 355.482 3.214 20 30 FGEDHN Cc1cc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc2cccnc12 ZINC000578831677 506030386 /nfs/dbraw/zinc/03/03/86/506030386.db2.gz GJHSLRLCEHMJMI-NRFANRHFSA-N 0 3 370.456 3.306 20 30 FGEDHN C=CCc1cc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc(OC)c1O ZINC000569893024 506039361 /nfs/dbraw/zinc/03/93/61/506039361.db2.gz YVDKNEYBKWWXSN-KNQAVFIVSA-N 0 3 353.462 3.385 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(OC)c1 ZINC000297434615 498448309 /nfs/dbraw/zinc/44/83/09/498448309.db2.gz KUAHOSLDLVGDBC-QRFRQXIXSA-N 0 3 372.513 3.460 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1C#N ZINC000302482475 498492342 /nfs/dbraw/zinc/49/23/42/498492342.db2.gz WRXWQHRUHGZSQG-HXUWFJFHSA-N 0 3 355.869 3.285 20 30 FGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000293882368 498519970 /nfs/dbraw/zinc/51/99/70/498519970.db2.gz JSXTUSFUMQYPIV-QFIPXVFZSA-N 0 3 374.488 3.499 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2ccc(Br)cc2C#N)CC1 ZINC000302683876 498532032 /nfs/dbraw/zinc/53/20/32/498532032.db2.gz STMAGBYXYXYLTK-CQSZACIVSA-N 0 3 365.319 3.006 20 30 FGEDHN C=CCN(Cc1nc([C@H](C)OCC)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000362937071 498584534 /nfs/dbraw/zinc/58/45/34/498584534.db2.gz YXGNYVLSHQMTSQ-PKOBYXMFSA-N 0 3 370.497 3.430 20 30 FGEDHN CC(C)Oc1ccc([C@@H](C/N=C/c2ccc(O)c(O)c2O)N(C)C)cc1 ZINC000287012741 498591209 /nfs/dbraw/zinc/59/12/09/498591209.db2.gz FUUVMXPYZDZSRW-LASGFXPTSA-N 0 3 358.438 3.312 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000287122030 498637650 /nfs/dbraw/zinc/63/76/50/498637650.db2.gz AVINCUDXNPEHIZ-KRWDZBQOSA-N 0 3 361.486 3.105 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000363102664 498650843 /nfs/dbraw/zinc/65/08/43/498650843.db2.gz RUYVSEQKPYDHAC-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000332537473 498718074 /nfs/dbraw/zinc/71/80/74/498718074.db2.gz JCLPUGFLLUNWLQ-IAGOWNOFSA-N 0 3 370.497 3.220 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000581869213 506079171 /nfs/dbraw/zinc/07/91/71/506079171.db2.gz LVYSLLUALPTOLX-DOMZBBRYSA-N 0 3 350.447 3.063 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000298535717 498805125 /nfs/dbraw/zinc/80/51/25/498805125.db2.gz WWQUWIMBTUGSBJ-NRFANRHFSA-N 0 3 363.461 3.380 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000324341768 498827177 /nfs/dbraw/zinc/82/71/77/498827177.db2.gz YCMFMWXUTOJEHI-MRXNPFEDSA-N 0 3 350.422 3.425 20 30 FGEDHN CC[C@@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000291182491 498832771 /nfs/dbraw/zinc/83/27/71/498832771.db2.gz JXCSXNCFEKKDOR-REWPJTCUSA-N 0 3 373.456 3.235 20 30 FGEDHN Cc1ccc(NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)cn1 ZINC000328628628 498880830 /nfs/dbraw/zinc/88/08/30/498880830.db2.gz HKGGLFRPHOMXQM-IBGZPJMESA-N 0 3 353.470 3.317 20 30 FGEDHN CC(C)(C)OC(=O)CCN(Cc1ccc(C#N)cc1F)C1CCOCC1 ZINC000572997780 506095545 /nfs/dbraw/zinc/09/55/45/506095545.db2.gz OPTMIJDDJPBQDB-UHFFFAOYSA-N 0 3 362.445 3.410 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000328677304 498899010 /nfs/dbraw/zinc/89/90/10/498899010.db2.gz LWXIFIFHOUHREG-ZKIDJSGLSA-N 0 3 369.509 3.283 20 30 FGEDHN Cn1cc(C(=O)NCCN2CCC3(CCCCC3)CC2)c([C@@H]2CCOC2)n1 ZINC000328707945 498908560 /nfs/dbraw/zinc/90/85/60/498908560.db2.gz LZQKMGKZKVANCG-QGZVFWFLSA-N 0 3 374.529 3.275 20 30 FGEDHN Cc1nc(-c2ccc(NC(=O)NC3CC[NH+](C4CC4)CC3)cc2)cc(=O)[n-]1 ZINC000328764424 498931131 /nfs/dbraw/zinc/93/11/31/498931131.db2.gz AFGWBBLWZKZEJZ-UHFFFAOYSA-N 0 3 367.453 3.110 20 30 FGEDHN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H]1CCCCN1C1CCCC1 ZINC000328778674 498935386 /nfs/dbraw/zinc/93/53/86/498935386.db2.gz LTKMDZDECXKINE-SFHVURJKSA-N 0 3 356.470 3.496 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCC1=O ZINC000328893195 498976754 /nfs/dbraw/zinc/97/67/54/498976754.db2.gz ABZBKKOHVHWPOL-CRAIPNDOSA-N 0 3 358.482 3.105 20 30 FGEDHN CCN1CCCN(C(=O)Nc2cccc3c2CN(c2nccs2)C3)CC1 ZINC000329170974 499062060 /nfs/dbraw/zinc/06/20/60/499062060.db2.gz KJOBHFYOBBIGQB-UHFFFAOYSA-N 0 3 371.510 3.236 20 30 FGEDHN C[C@@H](C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)N1CCCCCC1 ZINC000329201028 499070512 /nfs/dbraw/zinc/07/05/12/499070512.db2.gz VNWUTWIYGMSAHU-JENIJYKNSA-N 0 3 361.534 3.024 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000329215402 499074388 /nfs/dbraw/zinc/07/43/88/499074388.db2.gz MPOPREVTSHVBPL-HOCLYGCPSA-N 0 3 373.526 3.491 20 30 FGEDHN O=C(Nc1cccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1)[C@@H]1CCCO1 ZINC000329279636 499090234 /nfs/dbraw/zinc/09/02/34/499090234.db2.gz JYZSBTMUYCVDLF-MOPGFXCFSA-N 0 3 371.481 3.154 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000329309225 499096405 /nfs/dbraw/zinc/09/64/05/499096405.db2.gz QLMRVCBPYFBMIC-UJWQCDCRSA-N 0 3 351.535 3.036 20 30 FGEDHN C[C@@]1(CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCCN1Cc1ccccc1 ZINC000329402143 499115268 /nfs/dbraw/zinc/11/52/68/499115268.db2.gz BQYITDWTKARAPZ-OPYAIIAOSA-N 0 3 370.497 3.006 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(C2CCC(C)CC2)CC1 ZINC000329455963 499123878 /nfs/dbraw/zinc/12/38/78/499123878.db2.gz NDAGLIRAFFLCQG-GMXGEUMGSA-N 0 3 361.534 3.210 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)NCC2(N3CCSCC3)CCCCC2)CC(=O)N1 ZINC000329471792 499126190 /nfs/dbraw/zinc/12/61/90/499126190.db2.gz ZGAQWUWWCDBKHO-HUUCEWRRSA-N 0 3 353.532 3.450 20 30 FGEDHN CCCN1CCN(C2CCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000372483378 499133154 /nfs/dbraw/zinc/13/31/54/499133154.db2.gz UHKZWXNVFDETRD-UHFFFAOYSA-N 0 3 360.933 3.204 20 30 FGEDHN COc1cccc(C[NH2+]CC2CCN(c3ccccc3C#N)CC2)c1[O-] ZINC000372629714 499155363 /nfs/dbraw/zinc/15/53/63/499155363.db2.gz ZXERZGKRDVTHDQ-UHFFFAOYSA-N 0 3 351.450 3.279 20 30 FGEDHN C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370556999 499231438 /nfs/dbraw/zinc/23/14/38/499231438.db2.gz JBUCPWCRVZDUOD-CJNGLKHVSA-N 0 3 369.494 3.136 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000367889551 499242029 /nfs/dbraw/zinc/24/20/29/499242029.db2.gz BRZQZNPQQJBDFK-LZQZEXGQSA-N 0 3 363.889 3.062 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000368061361 499260532 /nfs/dbraw/zinc/26/05/32/499260532.db2.gz IKNJZTAGYCOCER-NVXWUHKLSA-N 0 3 374.897 3.247 20 30 FGEDHN Cn1cc(CN2CCC[C@@H](c3ccnn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000368404549 499292910 /nfs/dbraw/zinc/29/29/10/499292910.db2.gz WLEMEXSZGJYGNM-GOSISDBHSA-N 0 3 360.465 3.072 20 30 FGEDHN Cc1nc(C)n(C[C@H]2CCCCN2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000371385096 499318901 /nfs/dbraw/zinc/31/89/01/499318901.db2.gz WARVBVLTXJHQEF-DNVCBOLYSA-N 0 3 353.470 3.241 20 30 FGEDHN N#Cc1ccc(OC2CCN(Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000371420663 499324401 /nfs/dbraw/zinc/32/44/01/499324401.db2.gz BZWILOFYGNGALL-UHFFFAOYSA-N 0 3 359.433 3.182 20 30 FGEDHN CN(C(=O)CSc1ccc(C#N)cc1)C1CCN(c2ccncc2)CC1 ZINC000368971151 499352501 /nfs/dbraw/zinc/35/25/01/499352501.db2.gz ZOQBNHBGXRUITE-UHFFFAOYSA-N 0 3 366.490 3.173 20 30 FGEDHN C[C@@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000371705177 499357019 /nfs/dbraw/zinc/35/70/19/499357019.db2.gz AJNNCMLEGNKMJB-CQSZACIVSA-N 0 3 366.421 3.071 20 30 FGEDHN C[C@@H]([NH2+]CCCOC([O-])=NC(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000371705177 499357021 /nfs/dbraw/zinc/35/70/21/499357021.db2.gz AJNNCMLEGNKMJB-CQSZACIVSA-N 0 3 366.421 3.071 20 30 FGEDHN Cc1cc(C)c2c(c1)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCO2 ZINC000369300169 499389027 /nfs/dbraw/zinc/38/90/27/499389027.db2.gz YWCQCLWWWKGHIT-ICSRJNTNSA-N 0 3 359.429 3.497 20 30 FGEDHN N#CCSc1cccc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000372340334 499422496 /nfs/dbraw/zinc/42/24/96/499422496.db2.gz ROMPAHOZDHKFLG-PMOLBWCYSA-N 0 3 363.486 3.162 20 30 FGEDHN Cn1cc(CNC[C@@H](O)CCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000372347811 499423440 /nfs/dbraw/zinc/42/34/40/499423440.db2.gz LEMNRUQOBYLBED-NRFANRHFSA-N 0 3 360.461 3.042 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000372398524 499428986 /nfs/dbraw/zinc/42/89/86/499428986.db2.gz PGWNQYWUZBBINV-CQSZACIVSA-N 0 3 370.478 3.285 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000372398523 499429098 /nfs/dbraw/zinc/42/90/98/499429098.db2.gz PGWNQYWUZBBINV-AWEZNQCLSA-N 0 3 370.478 3.285 20 30 FGEDHN COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c([O-])c1 ZINC000373469201 499471780 /nfs/dbraw/zinc/47/17/80/499471780.db2.gz YIGGVALDNJMWBJ-UHFFFAOYSA-N 0 3 362.433 3.468 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000373503851 499473822 /nfs/dbraw/zinc/47/38/22/499473822.db2.gz UBBSPQYEHIJJMI-LSTHTHJFSA-N 0 3 369.509 3.107 20 30 FGEDHN CN1CC[C@H](CNC(=O)NCC2(CC#N)CC2)[C@H]1c1cccc(Cl)c1 ZINC000373717880 499484866 /nfs/dbraw/zinc/48/48/66/499484866.db2.gz FYSFCGKMGDPCHE-NVXWUHKLSA-N 0 3 360.889 3.326 20 30 FGEDHN Cc1cc(C)nc(C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000373755278 499486629 /nfs/dbraw/zinc/48/66/29/499486629.db2.gz WAKDOMXGZHWETO-UHFFFAOYSA-N 0 3 363.465 3.173 20 30 FGEDHN COc1cc([O-])c(C[NH2+][C@H]2CCCN(c3ccccc3C#N)C2)cc1OC ZINC000378457639 499519387 /nfs/dbraw/zinc/51/93/87/499519387.db2.gz WHSYAODKIANIFN-KRWDZBQOSA-N 0 3 367.449 3.040 20 30 FGEDHN Cc1ncc(CN2CC[C@H](NCC#Cc3ccc(F)cc3)[C@H](C)C2)s1 ZINC000375505184 499526662 /nfs/dbraw/zinc/52/66/62/499526662.db2.gz ANSAARNSHRGXQN-QRWLVFNGSA-N 0 3 357.498 3.442 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000380685857 499543999 /nfs/dbraw/zinc/54/39/99/499543999.db2.gz KVXJPJXCQQAACA-MOPGFXCFSA-N 0 3 362.433 3.425 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000375839537 499560749 /nfs/dbraw/zinc/56/07/49/499560749.db2.gz IVHNSNBHLMFORG-UHFFFAOYSA-N 0 3 350.466 3.006 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000398051746 499566163 /nfs/dbraw/zinc/56/61/63/499566163.db2.gz XXPWGHMHXNRWJP-YOEHRIQHSA-N 0 3 351.410 3.184 20 30 FGEDHN N#Cc1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000404197154 499570019 /nfs/dbraw/zinc/57/00/19/499570019.db2.gz OBGDAIXSMITRQC-FGZHOGPDSA-N 0 3 365.452 3.173 20 30 FGEDHN N#Cc1ccc(F)c(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000404219364 499570137 /nfs/dbraw/zinc/57/01/37/499570137.db2.gz YYERGTSLILBJLI-FGZHOGPDSA-N 0 3 365.452 3.173 20 30 FGEDHN N#Cc1cccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1F ZINC000404179643 499570225 /nfs/dbraw/zinc/57/02/25/499570225.db2.gz IUBNHRLJGNXFKX-SFTDATJTSA-N 0 3 365.452 3.173 20 30 FGEDHN CN(Cc1cccn1Cc1ccccc1C#N)C[C@H]1CCc2nccn2C1 ZINC000375975551 499573186 /nfs/dbraw/zinc/57/31/86/499573186.db2.gz RJKMICPOZHZRSJ-GOSISDBHSA-N 0 3 359.477 3.299 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@H]21 ZINC000376168337 499588397 /nfs/dbraw/zinc/58/83/97/499588397.db2.gz WFTZPBPFKXTMHA-GHTZIAJQSA-N 0 3 360.461 3.039 20 30 FGEDHN CN1CC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)[C@@H]1c1cccnc1 ZINC000376737731 499633367 /nfs/dbraw/zinc/63/33/67/499633367.db2.gz BKPBLRUNGPMRTI-HOCLYGCPSA-N 0 3 361.371 3.472 20 30 FGEDHN C=CCN1CC[C@@H](N2CCC(CCc3cc(OC)cc(OC)c3)CC2)C1=O ZINC000410313260 499654111 /nfs/dbraw/zinc/65/41/11/499654111.db2.gz ZXDRDGHRWINTRL-OAQYLSRUSA-N 0 3 372.509 3.135 20 30 FGEDHN C=CCN(Cc1cnc([C@@H](C)O)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377550593 499703694 /nfs/dbraw/zinc/70/36/94/499703694.db2.gz PTJFQAVXGXFILA-SJLPKXTDSA-N 0 3 357.523 3.459 20 30 FGEDHN CCc1nc(CN2CCC[C@H](N(C)[C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000377716678 499724403 /nfs/dbraw/zinc/72/44/03/499724403.db2.gz GNTDSLZCGTZXAE-YJBOKZPZSA-N 0 3 353.470 3.161 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000377841821 499741229 /nfs/dbraw/zinc/74/12/29/499741229.db2.gz FNWOALQAPABSFC-MRXNPFEDSA-N 0 3 363.527 3.071 20 30 FGEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000411445429 499741315 /nfs/dbraw/zinc/74/13/15/499741315.db2.gz ACFVYUCDVGCFTR-MRXNPFEDSA-N 0 3 363.527 3.452 20 30 FGEDHN CO[C@@H]([C@H](C)N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000414183591 499766622 /nfs/dbraw/zinc/76/66/22/499766622.db2.gz NIFJEFFZJMJQPZ-QKLQHJQFSA-N 0 3 357.498 3.342 20 30 FGEDHN C[C@H](CCCc1cccnc1)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411823111 499794868 /nfs/dbraw/zinc/79/48/68/499794868.db2.gz PHBHZLJFEKAFIE-RHSMWYFYSA-N 0 3 354.479 3.121 20 30 FGEDHN N#CCc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000412006746 499812279 /nfs/dbraw/zinc/81/22/79/499812279.db2.gz CYPJNYSARQOMNQ-NRFANRHFSA-N 0 3 350.462 3.373 20 30 FGEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCNCC1 ZINC000415118657 499865904 /nfs/dbraw/zinc/86/59/04/499865904.db2.gz HDJMJODDDRBYSI-UHFFFAOYSA-N 0 3 364.449 3.273 20 30 FGEDHN N#Cc1cnc(NC2CCN(CCOc3ccc(F)cc3)CC2)c(F)c1 ZINC000413181889 499923471 /nfs/dbraw/zinc/92/34/71/499923471.db2.gz FSIQUSPDFNNZAM-UHFFFAOYSA-N 0 3 358.392 3.187 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000413182059 499923538 /nfs/dbraw/zinc/92/35/38/499923538.db2.gz RRFGUDSFBXDFNB-IFMALSPDSA-N 0 3 365.452 3.333 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000413346792 499943687 /nfs/dbraw/zinc/94/36/87/499943687.db2.gz XDZXLBMIRPIOLR-OAQYLSRUSA-N 0 3 373.541 3.362 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1F ZINC000421353924 500024417 /nfs/dbraw/zinc/02/44/17/500024417.db2.gz GOPBVHUOFBRLKB-IBGZPJMESA-N 0 3 351.425 3.021 20 30 FGEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000421364445 500027543 /nfs/dbraw/zinc/02/75/43/500027543.db2.gz OJGCSJGRPJOIPO-FCHUYYIVSA-N 0 3 367.468 3.467 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1F ZINC000421391154 500035649 /nfs/dbraw/zinc/03/56/49/500035649.db2.gz NADQGSYOKOYOTJ-CYBMUJFWSA-N 0 3 352.331 3.055 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000425233254 500051679 /nfs/dbraw/zinc/05/16/79/500051679.db2.gz GGYVVPSIAQRMED-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000413810912 500063883 /nfs/dbraw/zinc/06/38/83/500063883.db2.gz AMPRNTRNXHZOPU-FQEVSTJZSA-N 0 3 366.509 3.342 20 30 FGEDHN C=CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000425532959 500135362 /nfs/dbraw/zinc/13/53/62/500135362.db2.gz PCKVJWJLRIADGV-AZUAARDMSA-N 0 3 356.510 3.386 20 30 FGEDHN CCN(CCc1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)N(C)CCC#N ZINC000425539553 500138031 /nfs/dbraw/zinc/13/80/31/500138031.db2.gz MYSDLKDMDIRSPV-CQSZACIVSA-N 0 3 355.404 3.330 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000425969866 500218172 /nfs/dbraw/zinc/21/81/72/500218172.db2.gz ZXXRWPZDWCKGET-HXUWFJFHSA-N 0 3 350.466 3.169 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000426366331 500264580 /nfs/dbraw/zinc/26/45/80/500264580.db2.gz QHBPRSKWXIIJSV-UXHICEINSA-N 0 3 357.498 3.028 20 30 FGEDHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC1(CC#N)CC1 ZINC000430746097 500278878 /nfs/dbraw/zinc/27/88/78/500278878.db2.gz BBUJLZUPTSTMGK-LBPRGKRZSA-N 0 3 350.260 3.450 20 30 FGEDHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC1(CC#N)CC1 ZINC000430745314 500278978 /nfs/dbraw/zinc/27/89/78/500278978.db2.gz WVWXBJXBNFZQNE-CQSZACIVSA-N 0 3 354.454 3.036 20 30 FGEDHN Cc1ccc2oc(CNC[C@@H](O)COc3ccc(CC#N)cc3)cc2c1 ZINC000570529836 506188730 /nfs/dbraw/zinc/18/87/30/506188730.db2.gz XVFHVVPIAOFZLP-GOSISDBHSA-N 0 3 350.418 3.337 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CCC(O)CC1 ZINC000430957679 500313010 /nfs/dbraw/zinc/31/30/10/500313010.db2.gz PPWIUVGFKWGZCE-UHFFFAOYSA-N 0 3 364.559 3.136 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000570544755 506192233 /nfs/dbraw/zinc/19/22/33/506192233.db2.gz BQGLJHQRZFEBSR-KRWDZBQOSA-N 0 3 371.506 3.401 20 30 FGEDHN C=CCN1C(=O)N(C2CCN(C3CCC3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000420045134 500416663 /nfs/dbraw/zinc/41/66/63/500416663.db2.gz UNXGCMOFWJJGKG-FQEVSTJZSA-N 0 3 367.493 3.065 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000424063065 500445368 /nfs/dbraw/zinc/44/53/68/500445368.db2.gz MAQTWOJZDMRBHW-AWEZNQCLSA-N 0 3 366.252 3.198 20 30 FGEDHN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424089906 500451141 /nfs/dbraw/zinc/45/11/41/500451141.db2.gz IPSGKEAMLSQUCJ-DAYGRLMNSA-N 0 3 370.497 3.073 20 30 FGEDHN COc1ccc(CN(Cc2ccccc2)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424091891 500451654 /nfs/dbraw/zinc/45/16/54/500451654.db2.gz FQMMCUOQNGLOEX-HXUWFJFHSA-N 0 3 351.450 3.245 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000424099902 500452851 /nfs/dbraw/zinc/45/28/51/500452851.db2.gz NCHYDJJPDATHTE-MRXNPFEDSA-N 0 3 360.433 3.304 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000424104984 500454130 /nfs/dbraw/zinc/45/41/30/500454130.db2.gz VLFWEQWDHSFLKJ-HXUWFJFHSA-N 0 3 351.450 3.041 20 30 FGEDHN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424123196 500457774 /nfs/dbraw/zinc/45/77/74/500457774.db2.gz KIYZKQKPSTUMAJ-PBHICJAKSA-N 0 3 363.889 3.151 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)c2ncc(C#N)cc2Cl)N2CCCC2)cc1 ZINC000428012583 500458088 /nfs/dbraw/zinc/45/80/88/500458088.db2.gz USIRBQKLQSXFFO-SFHVURJKSA-N 0 3 368.868 3.482 20 30 FGEDHN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)[C@@H](N)CCCC#N)n2)c1 ZINC000424149485 500460509 /nfs/dbraw/zinc/46/05/09/500460509.db2.gz WMEBLHDRYPTURQ-WMZOPIPTSA-N 0 3 351.454 3.070 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000424171565 500463173 /nfs/dbraw/zinc/46/31/73/500463173.db2.gz MFKZMTQPYYWIPH-INIZCTEOSA-N 0 3 364.287 3.176 20 30 FGEDHN Cc1cc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)ccc1Br ZINC000424179235 500464086 /nfs/dbraw/zinc/46/40/86/500464086.db2.gz YLTAHVSNIGIBSF-JKSUJKDBSA-N 0 3 364.287 3.442 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000424190402 500465368 /nfs/dbraw/zinc/46/53/68/500465368.db2.gz OIFGHMRVZPWADK-ZYHUDNBSSA-N 0 3 365.302 3.029 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2cccc(C#N)c2)C1 ZINC000576608898 506197952 /nfs/dbraw/zinc/19/79/52/506197952.db2.gz GWVCHRMGYVYEDN-UTKZUKDTSA-N 0 3 362.477 3.235 20 30 FGEDHN N#C[C@@H](c1ccccc1)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000570586905 506200051 /nfs/dbraw/zinc/20/00/51/506200051.db2.gz FASGBZOMBAGAKZ-PKTZIBPZSA-N 0 3 360.505 3.143 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000424531357 500513690 /nfs/dbraw/zinc/51/36/90/500513690.db2.gz MTQAIPUSDUVOER-RZUBCFFCSA-N 0 3 354.494 3.092 20 30 FGEDHN C=CCC1(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)CCOCC1 ZINC000424578099 500520382 /nfs/dbraw/zinc/52/03/82/500520382.db2.gz AQCQXKGDXYXWEU-HXUWFJFHSA-N 0 3 356.510 3.312 20 30 FGEDHN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432862974 500579892 /nfs/dbraw/zinc/57/98/92/500579892.db2.gz HGWFFFOATKWHIV-INIZCTEOSA-N 0 3 371.506 3.392 20 30 FGEDHN N#CCCC[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000433015260 500607001 /nfs/dbraw/zinc/60/70/01/500607001.db2.gz JSBSZIDDFSQUKM-MJGOQNOKSA-N 0 3 368.433 3.180 20 30 FGEDHN CC[C@@H](NCc1ccc(S(=O)(=O)CCOC)cc1)c1ccc(C#N)cc1 ZINC000447591292 500630500 /nfs/dbraw/zinc/63/05/00/500630500.db2.gz CPKMJNBDBBOLSA-HXUWFJFHSA-N 0 3 372.490 3.219 20 30 FGEDHN CC[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C#N)cc1 ZINC000447601057 500631969 /nfs/dbraw/zinc/63/19/69/500631969.db2.gz NTUUTFAFBWSMMQ-HXUWFJFHSA-N 0 3 369.490 3.339 20 30 FGEDHN COc1cc2c(cc1OC)CN(C(=O)C(C#N)CCc1ccccc1)CC2 ZINC000433222775 500649845 /nfs/dbraw/zinc/64/98/45/500649845.db2.gz XEKMLGRQHXBAEB-GOSISDBHSA-N 0 3 364.445 3.361 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000433345799 500677712 /nfs/dbraw/zinc/67/77/12/500677712.db2.gz ZVTIQEHXTROLNV-XLIONFOSSA-N 0 3 352.409 3.498 20 30 FGEDHN COCCN([C@@H]1CC[C@H](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878896 500683610 /nfs/dbraw/zinc/68/36/10/500683610.db2.gz LOFDKTFUEXXESN-PWIZWCRZSA-N 0 3 355.482 3.191 20 30 FGEDHN N#CC(CCN[C@@H](CO)[C@H]1CCCO1)(c1ccccc1)c1ccccc1 ZINC000447916346 500689831 /nfs/dbraw/zinc/68/98/31/500689831.db2.gz VBMACJHKIBVCTK-LEWJYISDSA-N 0 3 350.462 3.016 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(NC(C)=O)c(F)c1)C(C)C ZINC000433790994 500744470 /nfs/dbraw/zinc/74/44/70/500744470.db2.gz ATNGQSNCGVNSMA-LJQANCHMSA-N 0 3 361.461 3.213 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443902251 500775394 /nfs/dbraw/zinc/77/53/94/500775394.db2.gz AKTSIQQPBBLUOD-UHFFFAOYSA-N 0 3 371.506 3.139 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(Cc3ccccc3)CCOCC2)CC1 ZINC000448919440 500868661 /nfs/dbraw/zinc/86/86/61/500868661.db2.gz AYZRZAYQUMVPPT-UHFFFAOYSA-N 0 3 356.510 3.183 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](N(C)CCCCC(C)(C)C#N)C2=O)c1 ZINC000444656667 500874371 /nfs/dbraw/zinc/87/43/71/500874371.db2.gz HJAVKIXOHCJGSL-IBGZPJMESA-N 0 3 373.497 3.461 20 30 FGEDHN CCC[C@@]1(CO)CCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000444765065 500894511 /nfs/dbraw/zinc/89/45/11/500894511.db2.gz DFJIPKIVGHSBOQ-NRFANRHFSA-N 0 3 357.498 3.177 20 30 FGEDHN Cc1nccn1CCCCN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444777762 500898619 /nfs/dbraw/zinc/89/86/19/500898619.db2.gz QNVJKUHDHAKRME-UHFFFAOYSA-N 0 3 357.889 3.319 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(CC)c2C(F)(F)F)CC1 ZINC000439904799 500953361 /nfs/dbraw/zinc/95/33/61/500953361.db2.gz UPOPHCZGAHTUCY-UHFFFAOYSA-N 0 3 359.396 3.084 20 30 FGEDHN C=CC[C@@H]1N(C(=O)NCc2ccnc(OCCN(C)C)c2)CCCC1(C)C ZINC000445226507 500956917 /nfs/dbraw/zinc/95/69/17/500956917.db2.gz UIRGQUWVIHPNKF-SFHVURJKSA-N 0 3 374.529 3.298 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000449907977 501123210 /nfs/dbraw/zinc/12/32/10/501123210.db2.gz RBEOMRQMXLRLRU-BEFAXECRSA-N 0 3 350.466 3.320 20 30 FGEDHN COc1cnccc1N1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450496429 501136316 /nfs/dbraw/zinc/13/63/16/501136316.db2.gz AZAGADOCEFIGSK-UHFFFAOYSA-N 0 3 359.433 3.145 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000441569142 501155391 /nfs/dbraw/zinc/15/53/91/501155391.db2.gz RTXKRPFEBCITQP-SMDDNHRTSA-N 0 3 363.401 3.262 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCCN1C ZINC000442065787 501194961 /nfs/dbraw/zinc/19/49/61/501194961.db2.gz WQASNWQKOIDVJZ-MFKMUULPSA-N 0 3 356.348 3.061 20 30 FGEDHN CC(C)(CC#N)CS(=O)(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000450975841 501236302 /nfs/dbraw/zinc/23/63/02/501236302.db2.gz PIRRDYHMTCNMEP-UHFFFAOYSA-N 0 3 355.548 3.034 20 30 FGEDHN Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000451086591 501244468 /nfs/dbraw/zinc/24/44/68/501244468.db2.gz MWMANSQAEBRDAG-SFHVURJKSA-N 0 3 355.463 3.216 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCOC2(C)C)c1C#N ZINC000451236716 501254007 /nfs/dbraw/zinc/25/40/07/501254007.db2.gz AUSLCWDIXABUDJ-QGZVFWFLSA-N 0 3 358.486 3.187 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCOC2(CCC2)C1)C(C)C ZINC000455361313 501281849 /nfs/dbraw/zinc/28/18/49/501281849.db2.gz UZZQKDSFGSCFMW-OALUTQOASA-N 0 3 363.546 3.334 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000451412367 501286535 /nfs/dbraw/zinc/28/65/35/501286535.db2.gz AGNWSGZKQWIELI-OAHLLOKOSA-N 0 3 362.271 3.067 20 30 FGEDHN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)ncc1C#N ZINC000457780886 501307853 /nfs/dbraw/zinc/30/78/53/501307853.db2.gz BZQGMHMTNIVLOW-FQEVSTJZSA-N 0 3 362.477 3.292 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451507270 501308758 /nfs/dbraw/zinc/30/87/58/501308758.db2.gz VOGJRQHVWFSVIH-NIKGAXFTSA-N 0 3 358.507 3.450 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000451606024 501335228 /nfs/dbraw/zinc/33/52/28/501335228.db2.gz GEHOSXCADKTEIQ-SVFBPWRDSA-N 0 3 370.880 3.479 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451605410 501335381 /nfs/dbraw/zinc/33/53/81/501335381.db2.gz KESVKWOIOGGTKT-MOPGFXCFSA-N 0 3 370.497 3.353 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC000453463950 501339249 /nfs/dbraw/zinc/33/92/49/501339249.db2.gz KIWHUQWZYXOGQP-GOSISDBHSA-N 0 3 359.518 3.160 20 30 FGEDHN CC(C)(C)CC(C)(C)N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000451889556 501393818 /nfs/dbraw/zinc/39/38/18/501393818.db2.gz LAIPUPRZBMVFTN-UHFFFAOYSA-N 0 3 362.562 3.161 20 30 FGEDHN C[C@@H]1CN(CCCCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000455913295 501413812 /nfs/dbraw/zinc/41/38/12/501413812.db2.gz XDKPHHNQJORUFN-QZTJIDSGSA-N 0 3 371.525 3.133 20 30 FGEDHN CCN(CC)[C@H](CNc1cc(C#N)cnn1)c1ccc(C(F)(F)F)cc1 ZINC000596090817 506251825 /nfs/dbraw/zinc/25/18/25/506251825.db2.gz WKBQWIRTYWMKMX-MRXNPFEDSA-N 0 3 363.387 3.284 20 30 FGEDHN C=CCC1(NC(=O)NCC(C)(C)N2CCC(OC)CC2)CCCCC1 ZINC000458357998 501426378 /nfs/dbraw/zinc/42/63/78/501426378.db2.gz LKKUAMFUEKMFHU-UHFFFAOYSA-N 0 3 351.535 3.454 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000456344550 501504477 /nfs/dbraw/zinc/50/44/77/501504477.db2.gz RLRSMVOTDQUFSS-KRWDZBQOSA-N 0 3 365.452 3.220 20 30 FGEDHN C[C@@H]1CN(CCCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCCO1 ZINC000458707786 501512074 /nfs/dbraw/zinc/51/20/74/501512074.db2.gz BAXMOLFXDYQWNZ-UYAOXDASSA-N 0 3 372.513 3.222 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454358104 501522437 /nfs/dbraw/zinc/52/24/37/501522437.db2.gz FXKGAXDIRWVWEM-HNAYVOBHSA-N 0 3 366.440 3.332 20 30 FGEDHN C=CCC1(NC(=O)NCc2ccncc2OCCN(C)C)CCCCC1 ZINC000458782514 501530283 /nfs/dbraw/zinc/53/02/83/501530283.db2.gz USNIZAAYTKAHNT-UHFFFAOYSA-N 0 3 360.502 3.100 20 30 FGEDHN CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459019083 501577974 /nfs/dbraw/zinc/57/79/74/501577974.db2.gz UFJZDVMDDMRBCA-IHPCNDPISA-N 0 3 354.498 3.375 20 30 FGEDHN CC(C)(CC#N)CNC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000459242516 501618208 /nfs/dbraw/zinc/61/82/08/501618208.db2.gz RUPMMNMTCGYBNO-RTBURBONSA-N 0 3 354.498 3.090 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454814544 501635837 /nfs/dbraw/zinc/63/58/37/501635837.db2.gz YIZAHOJAPGQRCI-MGPUTAFESA-N 0 3 366.440 3.017 20 30 FGEDHN CC(C)CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cnn(C)c1 ZINC000459601799 501685045 /nfs/dbraw/zinc/68/50/45/501685045.db2.gz ZSPGBHHTWVLIJU-UHFFFAOYSA-N 0 3 373.888 3.432 20 30 FGEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC(C)(C)C1 ZINC000459736575 501706205 /nfs/dbraw/zinc/70/62/05/501706205.db2.gz GOKYUDNLMNWOFL-UHFFFAOYSA-N 0 3 352.400 3.294 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(C#N)cc1F)N(C)C ZINC000588339630 506272748 /nfs/dbraw/zinc/27/27/48/506272748.db2.gz IBYACCRSMOKDIJ-YWZLYKJASA-N 0 3 368.456 3.496 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2csc(Br)c2)cc1 ZINC000470816164 501813851 /nfs/dbraw/zinc/81/38/51/501813851.db2.gz GORKXXZRIQPGQS-AWEZNQCLSA-N 0 3 374.263 3.381 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccnc(OC3CCCC3)c2)cc1 ZINC000470846244 501826841 /nfs/dbraw/zinc/82/68/41/501826841.db2.gz YZYHAEJCKWLXJF-LJQANCHMSA-N 0 3 374.444 3.273 20 30 FGEDHN CS(=O)(=O)Nc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481651067 501839760 /nfs/dbraw/zinc/83/97/60/501839760.db2.gz CSRAAGZJXQLVLL-FQEVSTJZSA-N 0 3 369.490 3.487 20 30 FGEDHN COc1cccc(C(=O)NCCN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481645582 501839876 /nfs/dbraw/zinc/83/98/76/501839876.db2.gz OIBIKQXORQTFBD-NRFANRHFSA-N 0 3 363.461 3.354 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481771956 501879716 /nfs/dbraw/zinc/87/97/16/501879716.db2.gz ABADMODDAKAVPC-FQEVSTJZSA-N 0 3 374.554 3.163 20 30 FGEDHN COc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccccc2n1 ZINC000470992731 501885302 /nfs/dbraw/zinc/88/53/02/501885302.db2.gz MPUFCBKECLJAMN-QGZVFWFLSA-N 0 3 370.412 3.114 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000471039686 501899719 /nfs/dbraw/zinc/89/97/19/501899719.db2.gz QPXMOAKEQHNTQO-YYJDGNJWSA-N 0 3 359.429 3.310 20 30 FGEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478208423 501910545 /nfs/dbraw/zinc/91/05/45/501910545.db2.gz PDPUYGFLVSIZCF-CQSZACIVSA-N 0 3 354.454 3.169 20 30 FGEDHN CC(C)N(C)c1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471144618 501933329 /nfs/dbraw/zinc/93/33/29/501933329.db2.gz SRQDNEOLNSVRBA-HXUWFJFHSA-N 0 3 360.461 3.402 20 30 FGEDHN CC(C)(C)OC1CC(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471151231 501935408 /nfs/dbraw/zinc/93/54/08/501935408.db2.gz LHBQAQHTXNXQRN-XBMUEBEBSA-N 0 3 353.466 3.341 20 30 FGEDHN CC[C@@H](NCCC(=O)N(C)CCC#N)c1cc(F)cc(Br)c1 ZINC000485841456 501957862 /nfs/dbraw/zinc/95/78/62/501957862.db2.gz APOCVXFTOVDZGC-OAHLLOKOSA-N 0 3 370.266 3.391 20 30 FGEDHN Cc1cc(-n2cncn2)ccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464413241 501982327 /nfs/dbraw/zinc/98/23/27/501982327.db2.gz YKJQVHHULGKXHP-OAHLLOKOSA-N 0 3 371.322 3.480 20 30 FGEDHN C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000482162054 501993052 /nfs/dbraw/zinc/99/30/52/501993052.db2.gz FXWFFSLGPDXGBU-KRWDZBQOSA-N 0 3 365.477 3.352 20 30 FGEDHN CC[C@H](C)n1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000478706812 502064312 /nfs/dbraw/zinc/06/43/12/502064312.db2.gz VZBFCXXZAZCZFH-INIZCTEOSA-N 0 3 367.497 3.238 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCN(C)[C@H](C)CC ZINC000475266549 502111432 /nfs/dbraw/zinc/11/14/32/502111432.db2.gz SBAHETJEPVNNJQ-MRXNPFEDSA-N 0 3 359.514 3.324 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)OC)c(C)cc2C)CC1 ZINC000471834655 502149023 /nfs/dbraw/zinc/14/90/23/502149023.db2.gz SSKFGTFCQIOZJH-UHFFFAOYSA-N 0 3 359.470 3.252 20 30 FGEDHN C[C@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000462027112 502279366 /nfs/dbraw/zinc/27/93/66/502279366.db2.gz WKOHDGCBTFXELI-KURKYZTESA-N 0 3 369.509 3.010 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(CC2CCC2)[C@@H](C)CO)c1 ZINC000483130958 502283493 /nfs/dbraw/zinc/28/34/93/502283493.db2.gz AJXUBAFZMWOCDL-SFHVURJKSA-N 0 3 357.498 3.033 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NCc3cc4ccc(F)cc4[nH]3)C2=O)cc1 ZINC000486888265 502295636 /nfs/dbraw/zinc/29/56/36/502295636.db2.gz RIXYGVBITMQUPV-LJQANCHMSA-N 0 3 362.408 3.069 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465539200 502298230 /nfs/dbraw/zinc/29/82/30/502298230.db2.gz JBTCHRBCEVQPFU-MISYRCLQSA-N 0 3 354.498 3.200 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc(C#N)c1 ZINC000462241974 502365548 /nfs/dbraw/zinc/36/55/48/502365548.db2.gz STQCDOARFZNKIE-MRXNPFEDSA-N 0 3 353.441 3.391 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000487144540 502372085 /nfs/dbraw/zinc/37/20/85/502372085.db2.gz GFXZCDRPFZRXEV-KRWDZBQOSA-N 0 3 369.431 3.500 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3cc(Br)ccn3)CC2)cc1 ZINC000476088595 502381580 /nfs/dbraw/zinc/38/15/80/502381580.db2.gz DTTWHQFFRWKEEB-UHFFFAOYSA-N 0 3 371.282 3.428 20 30 FGEDHN CN(C)C1(CNC(=O)C[C@H](CC#N)c2ccccc2)Cc2ccccc2C1 ZINC000476135260 502395584 /nfs/dbraw/zinc/39/55/84/502395584.db2.gz GACIJUFNDFTEKI-IBGZPJMESA-N 0 3 361.489 3.289 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CC=CCC2)cc1 ZINC000483532707 502422957 /nfs/dbraw/zinc/42/29/57/502422957.db2.gz OOKSBVKFNQMIGP-CABCVRRESA-N 0 3 361.467 3.192 20 30 FGEDHN COc1ccccc1C[C@@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000476264830 502435472 /nfs/dbraw/zinc/43/54/72/502435472.db2.gz UKNDZCBKHXFQNB-VQTJNVASSA-N 0 3 366.461 3.014 20 30 FGEDHN Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)n(C2CCN(C)CC2)n1 ZINC000476287240 502444169 /nfs/dbraw/zinc/44/41/69/502444169.db2.gz WIDNQSLLFCJNOP-GOSISDBHSA-N 0 3 365.481 3.484 20 30 FGEDHN N#Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)ccc1F ZINC000469643689 502489504 /nfs/dbraw/zinc/48/95/04/502489504.db2.gz LEXLGIKWWWRTSG-UHFFFAOYSA-N 0 3 365.452 3.478 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)nc(C)n1 ZINC000473489651 502608748 /nfs/dbraw/zinc/60/87/48/502608748.db2.gz LJWDJLUWBUWCRM-INIZCTEOSA-N 0 3 358.405 3.246 20 30 FGEDHN N#Cc1cnc2ccccc2c1NCC1(N2CCSCC2)CCCC1 ZINC000462920804 502627711 /nfs/dbraw/zinc/62/77/11/502627711.db2.gz WHKZASZOHLRTQR-UHFFFAOYSA-N 0 3 352.507 3.302 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NC3CCN(CCOC(C)C)CC3)c2c1 ZINC000488123229 502633783 /nfs/dbraw/zinc/63/37/83/502633783.db2.gz IINODEUKBDUONJ-UHFFFAOYSA-N 0 3 352.482 3.138 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000484631444 502689805 /nfs/dbraw/zinc/68/98/05/502689805.db2.gz IGHNQFVXLOUCAL-SFHLNBCPSA-N 0 3 355.482 3.083 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@@H]3COc4ccc(F)cc43)CC2)cc1 ZINC000463281742 502744841 /nfs/dbraw/zinc/74/48/41/502744841.db2.gz QIVKCWFBARKOOO-HXUWFJFHSA-N 0 3 351.425 3.385 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000505081228 502849345 /nfs/dbraw/zinc/84/93/45/502849345.db2.gz JAZYOUQVFDSOBZ-KRWDZBQOSA-N 0 3 357.479 3.059 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)NCC(C)(C)CCC#N)c1 ZINC000513122203 502857031 /nfs/dbraw/zinc/85/70/31/502857031.db2.gz CPNGPYVXYVKNRK-UHFFFAOYSA-N 0 3 360.502 3.098 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1coc(Br)c1)C(C)C ZINC000496014392 502870176 /nfs/dbraw/zinc/87/01/76/502870176.db2.gz OGFPBGBHXMVRAA-CQSZACIVSA-N 0 3 355.276 3.471 20 30 FGEDHN CN(C)C(=O)c1ccc(OC2CCN(CCCCC(C)(C)C#N)CC2)nc1 ZINC000602891333 506339337 /nfs/dbraw/zinc/33/93/37/506339337.db2.gz XOZNNVVHNZZOSJ-UHFFFAOYSA-N 0 3 372.513 3.347 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000489199569 502899833 /nfs/dbraw/zinc/89/98/33/502899833.db2.gz KCBUNGYCKYKYLJ-QZTJIDSGSA-N 0 3 351.535 3.310 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602895512 506341390 /nfs/dbraw/zinc/34/13/90/506341390.db2.gz PQLCWCBYYFGGIL-UHFFFAOYSA-N 0 3 373.460 3.335 20 30 FGEDHN CCCCN1CCCC[C@H]1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000509549145 502932439 /nfs/dbraw/zinc/93/24/39/502932439.db2.gz MBUOSCFBNFVWRG-IBGZPJMESA-N 0 3 357.473 3.500 20 30 FGEDHN CCN1CCC[C@@H](CN(C)c2c(F)cc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000509621135 502950427 /nfs/dbraw/zinc/95/04/27/502950427.db2.gz SVURBJRSBLJBJX-HNAYVOBHSA-N 0 3 373.451 3.479 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501225751 502962449 /nfs/dbraw/zinc/96/24/49/502962449.db2.gz HIINBDLYXLXHOR-ABSDTBQOSA-N 0 3 363.461 3.277 20 30 FGEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000513632423 502986935 /nfs/dbraw/zinc/98/69/35/502986935.db2.gz CFKKTPJFFNAEOY-JOCHJYFZSA-N 0 3 361.489 3.444 20 30 FGEDHN C/C=C\c1ccc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000497584736 502994012 /nfs/dbraw/zinc/99/40/12/502994012.db2.gz IOIFYGCCKJLNQZ-BBIZLLLXSA-N 0 3 366.461 3.472 20 30 FGEDHN C[C@@H]1CCN(C)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513724925 503010240 /nfs/dbraw/zinc/01/02/40/503010240.db2.gz NCGCKNMTCQJVFR-QGZVFWFLSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCc1ccc(OCC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c(OC)c1 ZINC000501459258 503013764 /nfs/dbraw/zinc/01/37/64/503013764.db2.gz SPLHKNSYJYPPAP-IRXDYDNUSA-N 0 3 360.498 3.039 20 30 FGEDHN C=CCCCS(=O)(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000489890833 503058034 /nfs/dbraw/zinc/05/80/34/503058034.db2.gz SKWJMCXTCJGALJ-IBGZPJMESA-N 0 3 350.528 3.174 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000501856047 503094630 /nfs/dbraw/zinc/09/46/30/503094630.db2.gz IDGMVOSQJHDGBQ-QGZVFWFLSA-N 0 3 359.518 3.202 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1COc2ccc(OC)cc2C1)C(C)C ZINC000498355669 503166056 /nfs/dbraw/zinc/16/60/56/503166056.db2.gz QREZKKNAURBCCA-QUCCMNQESA-N 0 3 372.509 3.061 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1cc(C#N)ccc1F)N(C)C ZINC000498403196 503179298 /nfs/dbraw/zinc/17/92/98/503179298.db2.gz HXBMJFZUKCQLKJ-QRWLVFNGSA-N 0 3 368.456 3.496 20 30 FGEDHN C[C@]1(c2cccc(F)c2)CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000593045589 506356400 /nfs/dbraw/zinc/35/64/00/506356400.db2.gz JELXCBYFKXQXSI-CTNGQTDRSA-N 0 3 354.425 3.101 20 30 FGEDHN CC1CCN(CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000507098069 503231077 /nfs/dbraw/zinc/23/10/77/503231077.db2.gz MRYDXLKGWSGKJW-UHFFFAOYSA-N 0 3 360.408 3.274 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000507253975 503261331 /nfs/dbraw/zinc/26/13/31/503261331.db2.gz TUVTZMBEVLSYGO-FRRDWIJNSA-N 0 3 357.483 3.286 20 30 FGEDHN C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000502883686 503298795 /nfs/dbraw/zinc/29/87/95/503298795.db2.gz UBYUNUWPTOCHGD-FUHIMQAGSA-N 0 3 356.514 3.456 20 30 FGEDHN COc1ccc(C[C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000507451422 503300989 /nfs/dbraw/zinc/30/09/89/503300989.db2.gz TXSZGCAEODLSDV-IERDGZPVSA-N 0 3 363.461 3.283 20 30 FGEDHN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502940896 503312242 /nfs/dbraw/zinc/31/22/42/503312242.db2.gz RXUXXJVMYMFQRZ-UTKZUKDTSA-N 0 3 372.513 3.170 20 30 FGEDHN Cc1cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000502947841 503313403 /nfs/dbraw/zinc/31/34/03/503313403.db2.gz HFXBNBVRMFPJBX-DOTOQJQBSA-N 0 3 365.481 3.045 20 30 FGEDHN CN(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000491850632 503333489 /nfs/dbraw/zinc/33/34/89/503333489.db2.gz BHTMIRPLZBKIKM-IBGZPJMESA-N 0 3 353.491 3.211 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503295942 503385298 /nfs/dbraw/zinc/38/52/98/503385298.db2.gz IFBPTWJNWVVJAY-UHFFFAOYSA-N 0 3 373.241 3.036 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(CC)nc3onc(CCC)c32)CC1 ZINC000503298526 503386128 /nfs/dbraw/zinc/38/61/28/503386128.db2.gz UHEIDVXLKOUOFL-UHFFFAOYSA-N 0 3 356.470 3.118 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000515833468 503408702 /nfs/dbraw/zinc/40/87/02/503408702.db2.gz DYCMJNJZQKIKFA-SESVDKBCSA-N 0 3 353.462 3.309 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCC[C@@]2(C)CO)c1 ZINC000493705542 503441139 /nfs/dbraw/zinc/44/11/39/503441139.db2.gz JKTKRTXCHXTRSE-DSKINZAPSA-N 0 3 357.498 3.079 20 30 FGEDHN Cc1ccc(F)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1F ZINC000499634880 503447294 /nfs/dbraw/zinc/44/72/94/503447294.db2.gz YFNIOAPYHJHEGP-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000508247656 503462959 /nfs/dbraw/zinc/46/29/59/503462959.db2.gz MREOTUDWCHAUHD-HXUWFJFHSA-N 0 3 366.465 3.389 20 30 FGEDHN C=CCN1CC[C@@H](N(C)CCCc2ccccc2Br)C1=O ZINC000499939339 503515961 /nfs/dbraw/zinc/51/59/61/503515961.db2.gz LHHNSLVCKSTVTG-MRXNPFEDSA-N 0 3 351.288 3.100 20 30 FGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000512409792 503540901 /nfs/dbraw/zinc/54/09/01/503540901.db2.gz OZUHUEWVJQOTGN-TZIWHRDSSA-N 0 3 370.541 3.056 20 30 FGEDHN Cc1cc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)ccc1C#N ZINC000512479593 503566490 /nfs/dbraw/zinc/56/64/90/503566490.db2.gz HPNWCEABCPGYCV-DEOSSOPVSA-N 0 3 374.532 3.259 20 30 FGEDHN CN(C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1 ZINC000504608157 503596495 /nfs/dbraw/zinc/59/64/95/503596495.db2.gz UUBQVYAKHKEHNH-IBGZPJMESA-N 0 3 353.441 3.394 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508938188 503603877 /nfs/dbraw/zinc/60/38/77/503603877.db2.gz HOJJSNZHBOUROA-SFHVURJKSA-N 0 3 369.488 3.259 20 30 FGEDHN CC(=O)NC1CCC(N(C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000543172450 503657922 /nfs/dbraw/zinc/65/79/22/503657922.db2.gz KPHZJXBHKSYJMD-UHFFFAOYSA-N 0 3 351.397 3.039 20 30 FGEDHN C=CCN1CCC(NC(=O)CCn2c3ccccc3nc2C2CC2)CC1 ZINC000536689914 503681246 /nfs/dbraw/zinc/68/12/46/503681246.db2.gz HUJHIBYXKDDBOS-UHFFFAOYSA-N 0 3 352.482 3.070 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCN3C3CCCCC3)on2)c1 ZINC000529720061 503681346 /nfs/dbraw/zinc/68/13/46/503681346.db2.gz ZZEJHYMJOQAKHV-SFHVURJKSA-N 0 3 364.449 3.350 20 30 FGEDHN COC(=O)COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543413615 503760789 /nfs/dbraw/zinc/76/07/89/503760789.db2.gz XGKHERMTOCYFCM-UHFFFAOYSA-N 0 3 350.418 3.275 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](CNCc3ccc(C#N)cc3F)C2)c1 ZINC000533309476 503802343 /nfs/dbraw/zinc/80/23/43/503802343.db2.gz AXMVTEVKLOUJSZ-MRXNPFEDSA-N 0 3 369.440 3.331 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000540590158 503824947 /nfs/dbraw/zinc/82/49/47/503824947.db2.gz BZOZUDDXCKYHGC-YJBOKZPZSA-N 0 3 363.477 3.217 20 30 FGEDHN Cn1cc(C(C)(C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 ZINC000546704885 503844228 /nfs/dbraw/zinc/84/42/28/503844228.db2.gz HTDAEOLAPQDOOS-UHFFFAOYSA-N 0 3 371.510 3.086 20 30 FGEDHN C=CCN1C(=O)N(C[C@@H]2CCN2C2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000530206664 503875652 /nfs/dbraw/zinc/87/56/52/503875652.db2.gz DJZLPYCVBFKBKL-PMACEKPBSA-N 0 3 367.493 3.065 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1COc2ccc3ccccc3c2C1 ZINC000530235248 503885584 /nfs/dbraw/zinc/88/55/84/503885584.db2.gz GXEPEXBICJMIIT-OALUTQOASA-N 0 3 374.440 3.044 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000530391398 503947856 /nfs/dbraw/zinc/94/78/56/503947856.db2.gz DSEWCMXKYCAUCE-SFHVURJKSA-N 0 3 369.509 3.174 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000537609784 503973943 /nfs/dbraw/zinc/97/39/43/503973943.db2.gz AKDQGDSZAVETIZ-KRWDZBQOSA-N 0 3 366.509 3.283 20 30 FGEDHN CC(C)[C@@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)N1CCCCC1 ZINC000537681876 504003378 /nfs/dbraw/zinc/00/33/78/504003378.db2.gz AYWCCYMMBLOZFQ-FQEVSTJZSA-N 0 3 365.481 3.075 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CC#N)CC1 ZINC000547387110 504086516 /nfs/dbraw/zinc/08/65/16/504086516.db2.gz TZQZTFBJAACMKH-HXUWFJFHSA-N 0 3 356.514 3.478 20 30 FGEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000538122368 504136460 /nfs/dbraw/zinc/13/64/60/504136460.db2.gz AFYSMUBJGSQBOJ-KRWDZBQOSA-N 0 3 366.465 3.073 20 30 FGEDHN N#CCc1ccc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)cc1 ZINC000534685916 504215196 /nfs/dbraw/zinc/21/51/96/504215196.db2.gz OHLKYDSCGQSEQF-UHFFFAOYSA-N 0 3 363.461 3.157 20 30 FGEDHN C=C[C@@H](CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000534689428 504215947 /nfs/dbraw/zinc/21/59/47/504215947.db2.gz AIKWKQMXUIYZTB-REWPJTCUSA-N 0 3 364.489 3.100 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000528616399 504297173 /nfs/dbraw/zinc/29/71/73/504297173.db2.gz LQQRDLCRQFEQOU-UWJYYQICSA-N 0 3 362.477 3.007 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000531442986 504308266 /nfs/dbraw/zinc/30/82/66/504308266.db2.gz VUBOOTNLGVBDRB-HSALFYBXSA-N 0 3 354.498 3.342 20 30 FGEDHN N#CCC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000541971212 504319442 /nfs/dbraw/zinc/31/94/42/504319442.db2.gz YXRLCAISXYTPBZ-UHFFFAOYSA-N 0 3 372.538 3.435 20 30 FGEDHN N#Cc1ccccc1OCCN[C@H](CO)c1ccc(Br)cc1 ZINC000541984168 504323488 /nfs/dbraw/zinc/32/34/88/504323488.db2.gz VIVBNRKHTKVJAO-MRXNPFEDSA-N 0 3 361.239 3.023 20 30 FGEDHN CNCc1ccccc1NC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528692478 504333582 /nfs/dbraw/zinc/33/35/82/504333582.db2.gz OYZPAYQTQHHNOI-UHFFFAOYSA-N 0 3 364.449 3.105 20 30 FGEDHN C[C@H]1CCCC[C@H]1N(C)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778843 504376259 /nfs/dbraw/zinc/37/62/59/504376259.db2.gz NQXZJGVOWNRAOB-FXAWDEMLSA-N 0 3 369.509 3.191 20 30 FGEDHN C[C@H]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000519971389 504392123 /nfs/dbraw/zinc/39/21/23/504392123.db2.gz OXDQUQMIYBSEPN-FXAWDEMLSA-N 0 3 356.514 3.458 20 30 FGEDHN COc1cc(CN2CCC[C@@]2(C)CO)ccc1OCc1cccc(C#N)c1 ZINC000545396252 504471261 /nfs/dbraw/zinc/47/12/61/504471261.db2.gz FNBODCGWVUAZSJ-QFIPXVFZSA-N 0 3 366.461 3.493 20 30 FGEDHN CC1CC(C#N)(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1 ZINC000532067485 504524320 /nfs/dbraw/zinc/52/43/20/504524320.db2.gz PHLNBCWNVWUQPG-UHFFFAOYSA-N 0 3 352.482 3.097 20 30 FGEDHN N#CC(C(=O)c1cccc([C@H]2CCCOC2)c1)c1nnc2n1CCCCC2 ZINC000535755438 504532349 /nfs/dbraw/zinc/53/23/49/504532349.db2.gz BRLRAZXKHZRQST-ROUUACIJSA-N 0 3 364.449 3.389 20 30 FGEDHN COC(=O)c1cccc(CN2CCN(C3CCC(C)CC3)CC2)c1C#N ZINC000535965336 504595299 /nfs/dbraw/zinc/59/52/99/504595299.db2.gz XACNWDUCKUYLTQ-UHFFFAOYSA-N 0 3 355.482 3.041 20 30 FGEDHN N#Cc1cccc(Oc2ccc(NC(=O)NCCNc3ccncc3)cc2)c1 ZINC000536017601 504609772 /nfs/dbraw/zinc/60/97/72/504609772.db2.gz LSYRBXFYMICDFH-UHFFFAOYSA-N 0 3 373.416 3.401 20 30 FGEDHN CC(C#N)C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000536164369 504653848 /nfs/dbraw/zinc/65/38/48/504653848.db2.gz BBOUMOKDYVIWRB-OAHLLOKOSA-N 0 3 372.852 3.400 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1c1ccnn1C)C(C)C ZINC000539713467 504662541 /nfs/dbraw/zinc/66/25/41/504662541.db2.gz ZNQXTEZIPYFSSL-VQTJNVASSA-N 0 3 373.545 3.355 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(F)c1 ZINC000532563410 504692446 /nfs/dbraw/zinc/69/24/46/504692446.db2.gz CYAOJTWHZAYHNQ-KRWDZBQOSA-N 0 3 352.388 3.467 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000549583792 504854562 /nfs/dbraw/zinc/85/45/62/504854562.db2.gz KBTWKQXSLCBKSV-UHFFFAOYSA-N 0 3 369.440 3.076 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(NC3CCN(C4CC4)CC3)c2c1 ZINC000553244715 504862758 /nfs/dbraw/zinc/86/27/58/504862758.db2.gz AQIOZCQFODNTBB-UHFFFAOYSA-N 0 3 352.438 3.162 20 30 FGEDHN Cc1ccncc1CN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000562702832 504913714 /nfs/dbraw/zinc/91/37/14/504913714.db2.gz QQTSCNYZCWKINF-UHFFFAOYSA-N 0 3 354.479 3.273 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000562932383 504992304 /nfs/dbraw/zinc/99/23/04/504992304.db2.gz GQRBOGXRRRORPH-SFHVURJKSA-N 0 3 354.479 3.256 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000565816077 504996283 /nfs/dbraw/zinc/99/62/83/504996283.db2.gz LXKQVPYXVVEPTD-PMXSJFBMSA-N 0 3 369.509 3.337 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000563002918 505016888 /nfs/dbraw/zinc/01/68/88/505016888.db2.gz MCPITZCQFGHQGE-AYOQOUSVSA-N 0 3 374.387 3.045 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000563013494 505019878 /nfs/dbraw/zinc/01/98/78/505019878.db2.gz AZKOMYBLUUEXBE-SJLPKXTDSA-N 0 3 364.367 3.234 20 30 FGEDHN O=C(NCC#Cc1ccccc1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000563298525 505100427 /nfs/dbraw/zinc/10/04/27/505100427.db2.gz OKCCOASLXOPUKL-GOTSBHOMSA-N 0 3 373.500 3.202 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC000560527385 505115694 /nfs/dbraw/zinc/11/56/94/505115694.db2.gz KMSZERMCNZPPCE-JOCHJYFZSA-N 0 3 374.488 3.312 20 30 FGEDHN CN(C)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000554214074 505117617 /nfs/dbraw/zinc/11/76/17/505117617.db2.gz KLNYKGAXUFCLMA-HXUWFJFHSA-N 0 3 362.477 3.019 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC3CCC2CC3)cc1 ZINC000554321705 505144476 /nfs/dbraw/zinc/14/44/76/505144476.db2.gz ZCYXNMFPIPXDMF-VBRUCIBASA-N 0 3 361.467 3.073 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000560646808 505152407 /nfs/dbraw/zinc/15/24/07/505152407.db2.gz ZEIDDOXDCSRQCQ-LJQANCHMSA-N 0 3 366.465 3.082 20 30 FGEDHN Cc1csc(NC(=O)NCC2CCN(c3ccncc3)CC2)c1C#N ZINC000566420083 505170783 /nfs/dbraw/zinc/17/07/83/505170783.db2.gz JGOSAXPHZFEOCR-UHFFFAOYSA-N 0 3 355.467 3.361 20 30 FGEDHN Cc1cc(C#N)nc(N(CCN2CCCC2)Cc2ccc(Cl)cc2)n1 ZINC000557626979 505186434 /nfs/dbraw/zinc/18/64/34/505186434.db2.gz WASWVVPSXVLANV-UHFFFAOYSA-N 0 3 355.873 3.413 20 30 FGEDHN COc1ccc([C@@H](NC[C@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000557724907 505214663 /nfs/dbraw/zinc/21/46/63/505214663.db2.gz AAWKEXNPBKWRIA-UGKGYDQZSA-N 0 3 366.461 3.242 20 30 FGEDHN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000554735967 505251905 /nfs/dbraw/zinc/25/19/05/505251905.db2.gz ZUNVUJGXIYHIRM-FQEVSTJZSA-N 0 3 363.505 3.476 20 30 FGEDHN Cc1cc(Cl)c2ncc(C#N)c(N3CCN(CC(C)(C)O)[C@@H](C)C3)c2c1 ZINC000554930729 505302232 /nfs/dbraw/zinc/30/22/32/505302232.db2.gz RHUPITBJEPBYIH-AWEZNQCLSA-N 0 3 372.900 3.350 20 30 FGEDHN CC(C)(C)OC(=O)CCN(Cc1cc(C#N)cs1)C1CCOCC1 ZINC000566915858 505310742 /nfs/dbraw/zinc/31/07/42/505310742.db2.gz RZCAETRTMDVRAF-UHFFFAOYSA-N 0 3 350.484 3.333 20 30 FGEDHN C=CCCCCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000564098500 505326135 /nfs/dbraw/zinc/32/61/35/505326135.db2.gz RCFLRFNETZIKON-QZTJIDSGSA-N 0 3 351.535 3.264 20 30 FGEDHN N#Cc1ncn(CCNc2ccnc3ccc(Oc4ccccc4)cc32)n1 ZINC000561397167 505334962 /nfs/dbraw/zinc/33/49/62/505334962.db2.gz NFFRVPPQMGCONQ-UHFFFAOYSA-N 0 3 356.389 3.024 20 30 FGEDHN C=CCc1ccc(OCC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c(OC)c1 ZINC000561532452 505370613 /nfs/dbraw/zinc/37/06/13/505370613.db2.gz VEQFAIOTUVUGEC-QGZVFWFLSA-N 0 3 372.509 3.135 20 30 FGEDHN Cc1cc(S(=O)(=O)N(CCN2CCCCCC2)C(C)C)ccc1C#N ZINC000561552876 505375397 /nfs/dbraw/zinc/37/53/97/505375397.db2.gz GTPOZRFCJBISIC-UHFFFAOYSA-N 0 3 363.527 3.142 20 30 FGEDHN C[C@@H]1CCCc2ccccc2[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564321449 505384096 /nfs/dbraw/zinc/38/40/96/505384096.db2.gz CVUIJOCNVNWUKZ-FOIQADDNSA-N 0 3 369.490 3.030 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1OC ZINC000552147344 505415685 /nfs/dbraw/zinc/41/56/85/505415685.db2.gz YJJWRHJDSIQAFF-SFTDATJTSA-N 0 3 361.482 3.060 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C(=O)OC)c2C)CC1 ZINC000564448769 505423597 /nfs/dbraw/zinc/42/35/97/505423597.db2.gz URBTYGQXWVLIJW-UHFFFAOYSA-N 0 3 363.433 3.083 20 30 FGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C(F)(F)F)c1 ZINC000558566525 505424589 /nfs/dbraw/zinc/42/45/89/505424589.db2.gz PPLBJXHJGSEUCK-GDBMZVCRSA-N 0 3 351.372 3.068 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000567338758 505435122 /nfs/dbraw/zinc/43/51/22/505435122.db2.gz XLSPVUAHZQIFSQ-XZJROXQQSA-N 0 3 357.281 3.494 20 30 FGEDHN C=CCc1cc(OC)ccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000555564182 505458797 /nfs/dbraw/zinc/45/87/97/505458797.db2.gz CBHUIKJDQQFEEB-FQEVSTJZSA-N 0 3 353.462 3.222 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N(CCC#N)Cc2ccco2)[C@H](C(F)(F)F)C1 ZINC000555641843 505484233 /nfs/dbraw/zinc/48/42/33/505484233.db2.gz HMRZOQBCYURSKV-HUUCEWRRSA-N 0 3 371.403 3.431 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000564658125 505484947 /nfs/dbraw/zinc/48/49/47/505484947.db2.gz ZQVDXZAFUVSPNX-SFHVURJKSA-N 0 3 357.413 3.020 20 30 FGEDHN C=CCOc1ccccc1CN[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000558791916 505493600 /nfs/dbraw/zinc/49/36/00/505493600.db2.gz WCLLXZPTEZDKGK-KRWDZBQOSA-N 0 3 374.506 3.098 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000552497320 505503687 /nfs/dbraw/zinc/50/36/87/505503687.db2.gz GJCGSWNJPRSZMT-MAUKXSAKSA-N 0 3 358.438 3.264 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CCN1Cc1ccccc1 ZINC000552538148 505509935 /nfs/dbraw/zinc/50/99/35/505509935.db2.gz MBDLVMSUWCLKDI-IERDGZPVSA-N 0 3 362.477 3.017 20 30 FGEDHN COc1cc(CN2CCC[C@H](O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000555774825 505512531 /nfs/dbraw/zinc/51/25/31/505512531.db2.gz HCIYWXDCXAETNE-FQEVSTJZSA-N 0 3 366.461 3.493 20 30 FGEDHN Cc1ccccc1C(C)(C)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000567681968 505535168 /nfs/dbraw/zinc/53/51/68/505535168.db2.gz CDHCGAURYXNRSX-UHFFFAOYSA-N 0 3 356.491 3.208 20 30 FGEDHN N#Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)cc(N)c1[N+](=O)[O-] ZINC000555900873 505536212 /nfs/dbraw/zinc/53/62/12/505536212.db2.gz NTGFYWJJIPYOJQ-MRXNPFEDSA-N 0 3 355.398 3.281 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)C(C)S(=O)(=O)Cc1ccccc1 ZINC000564960228 505563204 /nfs/dbraw/zinc/56/32/04/505563204.db2.gz DCJPNICRGFAKES-OAHLLOKOSA-N 0 3 363.504 3.266 20 30 FGEDHN CC(C)Oc1ccc([C@H](C)NC[C@H](O)COc2ccccc2C#N)cc1 ZINC000599348769 506422462 /nfs/dbraw/zinc/42/24/62/506422462.db2.gz LOMNBOGPRVEIBC-LPHOPBHVSA-N 0 3 354.450 3.436 20 30 FGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000599348410 506422620 /nfs/dbraw/zinc/42/26/20/506422620.db2.gz KJLZWOJPYHUCFA-KBPBESRZSA-N 0 3 354.397 3.010 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1cccc(N2CCCC2)c1 ZINC000599352663 506424094 /nfs/dbraw/zinc/42/40/94/506424094.db2.gz FFBDLZAXVGXMCL-DYESRHJHSA-N 0 3 365.477 3.249 20 30 FGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(OC(F)F)c1 ZINC000599351510 506424186 /nfs/dbraw/zinc/42/41/86/506424186.db2.gz ZBLLCHTZPGCPEO-UKRRQHHQSA-N 0 3 354.397 3.010 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC(c3cccc(F)c3F)CC2)CCOCC1 ZINC000599373105 506432298 /nfs/dbraw/zinc/43/22/98/506432298.db2.gz TVXLDOYKCPFGBG-INIZCTEOSA-N 0 3 364.436 3.216 20 30 FGEDHN COCC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599433269 506454806 /nfs/dbraw/zinc/45/48/06/506454806.db2.gz PBHMUDONHVUBRY-HZPDHXFCSA-N 0 3 356.388 3.427 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000582862652 506459290 /nfs/dbraw/zinc/45/92/90/506459290.db2.gz SYUKJGLSHBSRDR-UHFFFAOYSA-N 0 3 353.466 3.183 20 30 FGEDHN CN(CCN1CCCCC1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000593204146 506462569 /nfs/dbraw/zinc/46/25/69/506462569.db2.gz VXNQBCNPVQUSJE-UHFFFAOYSA-N 0 3 370.375 3.406 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000599506400 506477580 /nfs/dbraw/zinc/47/75/80/506477580.db2.gz KIYTUILMVLPYKO-KRWDZBQOSA-N 0 3 360.502 3.282 20 30 FGEDHN CN1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000589284821 506507306 /nfs/dbraw/zinc/50/73/06/506507306.db2.gz ZIMDICXMFFBOAC-HKUYNNGSSA-N 0 3 374.916 3.017 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589785 506517458 /nfs/dbraw/zinc/51/74/58/506517458.db2.gz NUEBXQSIFCCMMG-DOTOQJQBSA-N 0 3 371.481 3.187 20 30 FGEDHN N#Cc1ccccc1CSCCNCc1ccc(C(=O)NC2CC2)cc1 ZINC000603495625 506530743 /nfs/dbraw/zinc/53/07/43/506530743.db2.gz LIZAFGKEFZBEBE-UHFFFAOYSA-N 0 3 365.502 3.473 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000582999678 506530908 /nfs/dbraw/zinc/53/09/08/506530908.db2.gz VEFZZIWMQOPXKC-HOTGVXAUSA-N 0 3 351.372 3.079 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000593319400 506537261 /nfs/dbraw/zinc/53/72/61/506537261.db2.gz IDAGKDKRYNAQMX-OXQOHEQNSA-N 0 3 360.461 3.419 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000583007959 506537588 /nfs/dbraw/zinc/53/75/88/506537588.db2.gz VQQKCOOHAFWLED-XLMAVXFVSA-N 0 3 363.527 3.164 20 30 FGEDHN N#Cc1ccc(C2(NCCOCC(F)(F)C(F)F)CCOCC2)cc1 ZINC000599633677 506541995 /nfs/dbraw/zinc/54/19/95/506541995.db2.gz CXENVQVKZAEYKM-UHFFFAOYSA-N 0 3 360.351 3.071 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000583021277 506545557 /nfs/dbraw/zinc/54/55/57/506545557.db2.gz OHVLBZNZGAYZRU-OVWQWFNUSA-N 0 3 363.527 3.021 20 30 FGEDHN CS[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000593432365 506617562 /nfs/dbraw/zinc/61/75/62/506617562.db2.gz QOOQZDRKNVBEEX-RTBURBONSA-N 0 3 374.554 3.306 20 30 FGEDHN C[C@@H]1Cc2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2O1 ZINC000596828933 506623057 /nfs/dbraw/zinc/62/30/57/506623057.db2.gz OIQKTYKRPSGVSL-MRXNPFEDSA-N 0 3 363.461 3.086 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000603844620 506632605 /nfs/dbraw/zinc/63/26/05/506632605.db2.gz SXSAKTGMSYOWFU-TZIWHRDSSA-N 0 3 354.425 3.469 20 30 FGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ncccc1OCCCC#N ZINC000596846038 506635120 /nfs/dbraw/zinc/63/51/20/506635120.db2.gz LLHAELXARFHTMV-INIZCTEOSA-N 0 3 359.474 3.006 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)NCC2(C#N)CCCCC2)cc1 ZINC000596857627 506640684 /nfs/dbraw/zinc/64/06/84/506640684.db2.gz QMDKYESVNFZATQ-SFHVURJKSA-N 0 3 358.486 3.071 20 30 FGEDHN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C(C#N)CC ZINC000593523247 506669274 /nfs/dbraw/zinc/66/92/74/506669274.db2.gz MZMINISQMJQTIU-SMDDNHRTSA-N 0 3 357.237 3.134 20 30 FGEDHN CC[C@H](C#N)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000593542207 506678041 /nfs/dbraw/zinc/67/80/41/506678041.db2.gz WBPLSTCAFGNKFN-MSOLQXFVSA-N 0 3 351.454 3.127 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)N3CC[C@](F)(C#N)C3)sc2c1)C1CC1 ZINC000596999160 506723961 /nfs/dbraw/zinc/72/39/61/506723961.db2.gz PXRHFEBCPVMXAB-SFHVURJKSA-N 0 3 373.457 3.360 20 30 FGEDHN N#CCn1c(C(=O)N2CCC[C@H]2CN2CCCCC2)cc2ccccc21 ZINC000609173883 506803545 /nfs/dbraw/zinc/80/35/45/506803545.db2.gz ZSCLLZGFLZUOOV-SFHVURJKSA-N 0 3 350.466 3.255 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CC[C@H](C(=O)OC)C2)cc1OC ZINC000600157059 506811523 /nfs/dbraw/zinc/81/15/23/506811523.db2.gz YQMHITYXIJRQJV-UONOGXRCSA-N 0 3 353.846 3.345 20 30 FGEDHN COCCN(CCC(=O)Nc1ccccc1C#N)CCc1ccccc1 ZINC000604493377 506849006 /nfs/dbraw/zinc/84/90/06/506849006.db2.gz CCVUTEHIIJDKMP-UHFFFAOYSA-N 0 3 351.450 3.078 20 30 FGEDHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000593961302 506852626 /nfs/dbraw/zinc/85/26/26/506852626.db2.gz WWDRQEDRJRMWGO-HNNXBMFYSA-N 0 3 351.450 3.446 20 30 FGEDHN N#Cc1ccc(CSCC(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000600229506 506861092 /nfs/dbraw/zinc/86/10/92/506861092.db2.gz USVIYZPNOHBWGL-IBGZPJMESA-N 0 3 357.523 3.315 20 30 FGEDHN C=CCOc1ccc(CNC[C@@]2(COC)OCCc3ccccc32)cc1 ZINC000583623670 506882252 /nfs/dbraw/zinc/88/22/52/506882252.db2.gz XCWTZOZFVSGUEH-QFIPXVFZSA-N 0 3 353.462 3.456 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594070434 506921530 /nfs/dbraw/zinc/92/15/30/506921530.db2.gz ZDVTVCPSLPSEAK-SJLPKXTDSA-N 0 3 356.470 3.484 20 30 FGEDHN N#CC1(CC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCOCC1 ZINC000597405473 506932331 /nfs/dbraw/zinc/93/23/31/506932331.db2.gz YPCVBKKHGRNATG-UHFFFAOYSA-N 0 3 371.481 3.200 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNc1cccc(Cl)c1 ZINC000609622233 506950540 /nfs/dbraw/zinc/95/05/40/506950540.db2.gz LQYHDZAUOOLHKI-UHFFFAOYSA-N 0 3 370.884 3.214 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@H]2CCN2C2CCCC2)c(C#N)c(C)c1C ZINC000600472148 506961628 /nfs/dbraw/zinc/96/16/28/506961628.db2.gz MYQPEKHBZFHIHH-QGZVFWFLSA-N 0 3 372.538 3.104 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cncc(C(=O)OC(C)(C)C)c2)CC1 ZINC000594184300 506993815 /nfs/dbraw/zinc/99/38/15/506993815.db2.gz CHQRMNIPWLINNW-UHFFFAOYSA-N 0 3 374.485 3.199 20 30 FGEDHN Cc1nc(SCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c(C#N)c(C)c1C ZINC000594197340 507001480 /nfs/dbraw/zinc/00/14/80/507001480.db2.gz CISQTUKNTCUPEJ-QZTJIDSGSA-N 0 3 372.538 3.104 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(C#N)ccn2)CC1 ZINC000590885064 507016623 /nfs/dbraw/zinc/01/66/23/507016623.db2.gz FDEMHZGBNLHNLZ-UHFFFAOYSA-N 0 3 370.840 3.332 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)N[C@H]3CCCN4CCCC[C@@H]34)CCC2)cc1 ZINC000594284022 507063807 /nfs/dbraw/zinc/06/38/07/507063807.db2.gz PYFGLLJQTVJIEI-OALUTQOASA-N 0 3 352.482 3.254 20 30 FGEDHN COc1ccc(C(NC[C@@H](O)CC2(C#N)CC2)c2ccc(OC)cc2)cc1 ZINC000600715902 507078500 /nfs/dbraw/zinc/07/85/00/507078500.db2.gz DLQXXQBQVYCSPO-SFHVURJKSA-N 0 3 366.461 3.438 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000594322749 507079162 /nfs/dbraw/zinc/07/91/62/507079162.db2.gz QATJSZXXDWIKGI-QGZVFWFLSA-N 0 3 365.477 3.033 20 30 FGEDHN C[C@@H](CC#N)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000597753569 507083890 /nfs/dbraw/zinc/08/38/90/507083890.db2.gz SUQUZYPDJLPUIN-INIZCTEOSA-N 0 3 374.916 3.003 20 30 FGEDHN COc1cccc(C(NC[C@@H](O)CC2(C#N)CC2)c2cccc(OC)c2)c1 ZINC000600725430 507085811 /nfs/dbraw/zinc/08/58/11/507085811.db2.gz BTMXEDKYVTVJSX-SFHVURJKSA-N 0 3 366.461 3.438 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000594361041 507092966 /nfs/dbraw/zinc/09/29/66/507092966.db2.gz MWZWTSMMXQSYBZ-MGPUTAFESA-N 0 3 353.441 3.295 20 30 FGEDHN C[C@@]1(NC(=O)c2cc(F)c(C#N)c(F)c2)CCN(Cc2ccccc2)C1 ZINC000597826391 507122208 /nfs/dbraw/zinc/12/22/08/507122208.db2.gz YEWRAOYSSCAMTG-HXUWFJFHSA-N 0 3 355.388 3.231 20 30 FGEDHN COc1ccc(CCC2CCN(C(=O)[C@@H](N)CCCCC#N)CC2)cc1 ZINC000594428185 507127138 /nfs/dbraw/zinc/12/71/38/507127138.db2.gz LQHHCBZNJWQRAM-FQEVSTJZSA-N 0 3 357.498 3.278 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000594428531 507127499 /nfs/dbraw/zinc/12/74/99/507127499.db2.gz MQZVETSFHGGZHB-MOPGFXCFSA-N 0 3 369.440 3.473 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000594435817 507131090 /nfs/dbraw/zinc/13/10/90/507131090.db2.gz ABRNMWIPQYYBQE-MSOLQXFVSA-N 0 3 351.454 3.159 20 30 FGEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1OCc1ccncc1 ZINC000594441094 507135742 /nfs/dbraw/zinc/13/57/42/507135742.db2.gz MNHJHEZOTOYMJP-QGZVFWFLSA-N 0 3 368.437 3.019 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000594447193 507136468 /nfs/dbraw/zinc/13/64/68/507136468.db2.gz UYVFHIKKBJXCFB-LSDHHAIUSA-N 0 3 360.527 3.139 20 30 FGEDHN CC1CCN([C@H](CNC(=O)[C@H](N)CCCCC#N)c2cccs2)CC1 ZINC000594446838 507137282 /nfs/dbraw/zinc/13/72/82/507137282.db2.gz XSTMSLHMEVTCHO-IAGOWNOFSA-N 0 3 362.543 3.049 20 30 FGEDHN COc1cc(C)c(Br)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594446248 507137547 /nfs/dbraw/zinc/13/75/47/507137547.db2.gz OPTKKKGWEOVPNI-LBPRGKRZSA-N 0 3 354.248 3.116 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000594462262 507143111 /nfs/dbraw/zinc/14/31/11/507143111.db2.gz AXWZYVVUXFEFPK-LLVKDONJSA-N 0 3 367.525 3.242 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)COCc1ccccc1F ZINC000584287174 507260604 /nfs/dbraw/zinc/26/06/04/507260604.db2.gz WINWUKKRIAUFJL-NQIIRXRSSA-N 0 3 354.425 3.242 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000591482763 507267981 /nfs/dbraw/zinc/26/79/81/507267981.db2.gz FEDZRKHTYPOCPB-KRWDZBQOSA-N 0 3 365.437 3.303 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000591482767 507268071 /nfs/dbraw/zinc/26/80/71/507268071.db2.gz FEDZRKHTYPOCPB-QGZVFWFLSA-N 0 3 365.437 3.303 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ncc(C#N)cc3Cl)CC2)C[C@@H](C)O1 ZINC000610542451 507282804 /nfs/dbraw/zinc/28/28/04/507282804.db2.gz MUFNEXXAOMSBGD-HUUCEWRRSA-N 0 3 362.905 3.322 20 30 FGEDHN O=C(NCCN1CCCCCC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601183762 507290374 /nfs/dbraw/zinc/29/03/74/507290374.db2.gz MDMYQWSMVHGMAC-UHFFFAOYSA-N 0 3 362.477 3.479 20 30 FGEDHN COc1cccc([C@]2(C)CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)c1 ZINC000598226133 507327612 /nfs/dbraw/zinc/32/76/12/507327612.db2.gz SRHMLRDONXTNQU-WMZHIEFXSA-N 0 3 373.456 3.439 20 30 FGEDHN N#Cc1ccc(CNC2(CN3CCN(c4ccccc4)CC3)CC2)s1 ZINC000594987494 507343397 /nfs/dbraw/zinc/34/33/97/507343397.db2.gz KSGAXBDFEWTGQC-UHFFFAOYSA-N 0 3 352.507 3.064 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)NCC3(C#N)CCCCC3)cc2)CC1 ZINC000598304376 507367741 /nfs/dbraw/zinc/36/77/41/507367741.db2.gz LRDCFYHAHIYXNO-UHFFFAOYSA-N 0 3 354.498 3.032 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)c2cc3ccccc3n2CC#N)c2ccccc2O1 ZINC000610762037 507379972 /nfs/dbraw/zinc/37/99/72/507379972.db2.gz VOQAGZLLTMETQS-KRWDZBQOSA-N 0 3 374.444 3.134 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000610831072 507407216 /nfs/dbraw/zinc/40/72/16/507407216.db2.gz NZFWTXSJTPEPAF-NRFANRHFSA-N 0 3 366.509 3.004 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000595259284 507443099 /nfs/dbraw/zinc/44/30/99/507443099.db2.gz JGUAXTUNVKCINX-HOTGVXAUSA-N 0 3 364.287 3.354 20 30 FGEDHN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@H](N)CCCCC#N ZINC000595258024 507443133 /nfs/dbraw/zinc/44/31/33/507443133.db2.gz QCGSBPUDTMRTNP-SJORKVTESA-N 0 3 363.889 3.430 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(Cc3nccs3)CC2)cc1 ZINC000601743760 507445880 /nfs/dbraw/zinc/44/58/80/507445880.db2.gz SDWBNQYVWMMMLW-GOSISDBHSA-N 0 3 364.474 3.178 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)cc1 ZINC000598573654 507496065 /nfs/dbraw/zinc/49/60/65/507496065.db2.gz OKHVQSFSEOAHAQ-PMACEKPBSA-N 0 3 356.429 3.389 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(c3ccsc3)CC2)cc1 ZINC000614419245 507503325 /nfs/dbraw/zinc/50/33/25/507503325.db2.gz SAEFNODSVSIINE-IBGZPJMESA-N 0 3 356.491 3.433 20 30 FGEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000584791863 507507195 /nfs/dbraw/zinc/50/71/95/507507195.db2.gz GFOJYMAHVSUNOF-OAHLLOKOSA-N 0 3 368.403 3.356 20 30 FGEDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598596407 507512523 /nfs/dbraw/zinc/51/25/23/507512523.db2.gz PPYKITQPIAFOJD-IEBWSBKVSA-N 0 3 372.513 3.129 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@@](C)(C#N)C2)c2ccccc2)CC1 ZINC000595469267 507513599 /nfs/dbraw/zinc/51/35/99/507513599.db2.gz WGGAVDNAWMICNT-CTNGQTDRSA-N 0 3 354.498 3.405 20 30 FGEDHN CCCc1ccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000598637393 507527881 /nfs/dbraw/zinc/52/78/81/507527881.db2.gz NTWNBCLJMDQEDX-IBGZPJMESA-N 0 3 353.491 3.463 20 30 FGEDHN CC(C)n1cc(C2=CCCN(CCOc3ccc(C#N)cc3)CC2)nn1 ZINC000595514488 507540590 /nfs/dbraw/zinc/54/05/90/507540590.db2.gz HTOZHEBTVJWTCT-UHFFFAOYSA-N 0 3 351.454 3.289 20 30 FGEDHN C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000585726544 507606624 /nfs/dbraw/zinc/60/66/24/507606624.db2.gz KFYVWCSVISKNGX-YVEFUNNKSA-N 0 3 372.266 3.148 20 30 FGEDHN CCOc1ccc(OC[C@@H](O)CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000595641395 507609205 /nfs/dbraw/zinc/60/92/05/507609205.db2.gz KQTUDKUTDIPVDI-SFHVURJKSA-N 0 3 354.450 3.222 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(COCCOC)c2)CC1 ZINC000592335995 507610746 /nfs/dbraw/zinc/61/07/46/507610746.db2.gz UOIFHGRNJIEMPB-UHFFFAOYSA-N 0 3 361.486 3.012 20 30 FGEDHN CCN1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000611357144 507641182 /nfs/dbraw/zinc/64/11/82/507641182.db2.gz CRQQGGWZZKLWPT-UHFFFAOYSA-N 0 3 365.437 3.305 20 30 FGEDHN Cc1ccc(C(=O)NCCN[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000611390538 507659056 /nfs/dbraw/zinc/65/90/56/507659056.db2.gz GMRWMQIEJKKRMR-FQEVSTJZSA-N 0 3 351.425 3.403 20 30 FGEDHN COc1ccccc1OCCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595774080 507677871 /nfs/dbraw/zinc/67/78/71/507677871.db2.gz OBCKJWWWZHLUKL-UHFFFAOYSA-N 0 3 352.434 3.241 20 30 FGEDHN N#Cc1cccc(C2(NCCOc3ccccc3[N+](=O)[O-])CCOCC2)c1 ZINC000595775922 507678951 /nfs/dbraw/zinc/67/89/51/507678951.db2.gz ZJZOIZQQUVTFQW-UHFFFAOYSA-N 0 3 367.405 3.141 20 30 FGEDHN COC(=O)c1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595775807 507679068 /nfs/dbraw/zinc/67/90/68/507679068.db2.gz YYRGCLKTYBPWDF-UHFFFAOYSA-N 0 3 350.418 3.140 20 30 FGEDHN CC(C)(COc1ncccc1C(F)(F)F)NCc1ccnc(C#N)c1 ZINC000611533216 507726628 /nfs/dbraw/zinc/72/66/28/507726628.db2.gz KPKACIJRRCYMSK-UHFFFAOYSA-N 0 3 350.344 3.314 20 30 FGEDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602515896 507734648 /nfs/dbraw/zinc/73/46/48/507734648.db2.gz DQIBBWQDWQXAEO-SJORKVTESA-N 0 3 357.498 3.403 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000602525069 507736306 /nfs/dbraw/zinc/73/63/06/507736306.db2.gz QDPFIJMNWKYDGM-MRXNPFEDSA-N 0 3 353.388 3.465 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCc4ccc(C#N)cc43)C2=O)cc1 ZINC000568144549 567938895 /nfs/dbraw/zinc/93/88/95/567938895.db2.gz PLCHAMOEGSUVDQ-LEWJYISDSA-N 0 3 356.429 3.202 20 30 FGEDHN N#Cc1ccc([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000739106332 600591621 /nfs/dbraw/zinc/59/16/21/600591621.db2.gz LHIMMRJZXZXHRY-NRFANRHFSA-N 0 3 363.461 3.460 20 30 FGEDHN C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823888442 608287631 /nfs/dbraw/zinc/28/76/31/608287631.db2.gz MMHNDOYYOQMFME-JCAIJIATSA-N 0 3 356.474 3.142 20 30 FGEDHN C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823888442 608287632 /nfs/dbraw/zinc/28/76/32/608287632.db2.gz MMHNDOYYOQMFME-JCAIJIATSA-N 0 3 356.474 3.142 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1 ZINC000106035517 700505938 /nfs/dbraw/zinc/50/59/38/700505938.db2.gz LHEHZLWMLQJTDQ-UHFFFAOYSA-N 0 3 358.873 3.296 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CCCCO2)cc1Cl ZINC000111945299 700551864 /nfs/dbraw/zinc/55/18/64/700551864.db2.gz PZCHECMUFPLNIV-UONOGXRCSA-N 0 3 364.829 3.345 20 30 FGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000113144754 700567996 /nfs/dbraw/zinc/56/79/96/700567996.db2.gz KYHLVJXLAHGYMX-LLVKDONJSA-N 0 3 364.188 3.358 20 30 FGEDHN N#CC(C(=O)CCSc1nc2ccccc2s1)C(=O)N1CCCC1 ZINC000124729129 700724030 /nfs/dbraw/zinc/72/40/30/700724030.db2.gz JRSDHZUNECKEMK-LBPRGKRZSA-N 0 3 359.476 3.110 20 30 FGEDHN N#CC(C(=O)CCc1cccc(Br)c1)C(=O)Nc1ccccn1 ZINC000125084185 700730084 /nfs/dbraw/zinc/73/00/84/700730084.db2.gz PGRHWLUZTZNZKL-AWEZNQCLSA-N 0 3 372.222 3.124 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(Br)cc1 ZINC000155601513 705084580 /nfs/dbraw/zinc/08/45/80/705084580.db2.gz DVWCVDWJXLHMGZ-IAQYHMDHSA-N 0 3 363.255 3.320 20 30 FGEDHN N#CC(C(=O)COCC1CC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193405596 712890226 /nfs/dbraw/zinc/89/02/26/712890226.db2.gz GKGLWTLVSICCHN-ZDUSSCGKSA-N 0 3 354.378 3.075 20 30 FGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cncc(Br)c2)c1 ZINC000193436029 712891240 /nfs/dbraw/zinc/89/12/40/712891240.db2.gz UDBCCXAVOIQFQO-CQSZACIVSA-N 0 3 358.195 3.114 20 30 FGEDHN N#CC(C(=O)COCc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000193475484 712892814 /nfs/dbraw/zinc/89/28/14/712892814.db2.gz COKAKVQUKVMYRL-AWEZNQCLSA-N 0 3 360.772 3.343 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)c(C)cc1Br ZINC000380864860 713977312 /nfs/dbraw/zinc/97/73/12/713977312.db2.gz WVIHTGGSBJVIRW-UHFFFAOYSA-N 0 3 357.679 3.096 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000573437456 714451020 /nfs/dbraw/zinc/45/10/20/714451020.db2.gz BHHMILDODJOMIZ-UXHICEINSA-N 0 3 357.885 3.225 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC[C@H]1CCOC1 ZINC000647115678 718331805 /nfs/dbraw/zinc/33/18/05/718331805.db2.gz UDNUWNKAVPTNPO-KRWDZBQOSA-N 0 3 364.559 3.401 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C(C)(C)CC)CC1 ZINC000653810936 719094827 /nfs/dbraw/zinc/09/48/27/719094827.db2.gz VRIJOUQVNGWOAY-KRWDZBQOSA-N 0 3 363.571 3.457 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@]2(C)OC)cc1OC ZINC000657787619 719712456 /nfs/dbraw/zinc/71/24/56/719712456.db2.gz DILOUQWHHNZDSK-ZBFHGGJFSA-N 0 3 356.260 3.290 20 30 FGEDHN N[C@@H]1CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC[C@H]1F ZINC000659606215 719928211 /nfs/dbraw/zinc/92/82/11/719928211.db2.gz TWARHZYPOVBSTQ-NXEZZACHSA-N 0 3 367.309 3.121 20 30 FGEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000661415422 720245060 /nfs/dbraw/zinc/24/50/60/720245060.db2.gz RXHNRCKEIOHRLR-PKOBYXMFSA-N 0 3 351.535 3.310 20 30 FGEDHN C=CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)C(C)(C)C ZINC000661760506 720315421 /nfs/dbraw/zinc/31/54/21/720315421.db2.gz WNBPLGSKALMMTI-UHFFFAOYSA-N 0 3 361.555 3.460 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CCC1=O ZINC000783352942 724748567 /nfs/dbraw/zinc/74/85/67/724748567.db2.gz NEORULRVVUIECK-JFGNBEQYSA-N 0 3 350.777 3.132 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC(CCNCc2nc(C#N)cs2)CC1 ZINC000703994892 722411212 /nfs/dbraw/zinc/41/12/12/722411212.db2.gz VFXICUUECDSPRI-UHFFFAOYSA-N 0 3 350.488 3.142 20 30 FGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cc2c(s1)CCOC2 ZINC000728767174 722454303 /nfs/dbraw/zinc/45/43/03/722454303.db2.gz WWBAYIXFFCSCNK-LLVKDONJSA-N 0 3 360.822 3.435 20 30 FGEDHN N#CC(C(=O)CCOCC1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000751827529 722829307 /nfs/dbraw/zinc/82/93/07/722829307.db2.gz UPLMGFRYUNJBBY-AWEZNQCLSA-N 0 3 355.221 3.457 20 30 FGEDHN CCO[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000761036065 723114545 /nfs/dbraw/zinc/11/45/45/723114545.db2.gz INJPIXIQMBXNCE-CXAGYDPISA-N 0 3 366.845 3.447 20 30 FGEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccccc1Cl ZINC000762025479 723207836 /nfs/dbraw/zinc/20/78/36/723207836.db2.gz OIESYCAZEARPOA-QMMMGPOBSA-N 0 3 350.749 3.283 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]/CCn2cc(Br)cn2)c([O-])c1 ZINC000794675863 723540253 /nfs/dbraw/zinc/54/02/53/723540253.db2.gz GVJCWZKODMIUHQ-VCHYOVAHSA-N 0 3 365.275 3.317 20 30 FGEDHN CCCC[C@@H](NC(=O)NCC)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000771564980 723737732 /nfs/dbraw/zinc/73/77/32/723737732.db2.gz HBYVUMUDRAKRKC-GXTWGEPZSA-N 0 3 358.467 3.350 20 30 FGEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)N(C)CC(F)(F)F ZINC000798828222 723967047 /nfs/dbraw/zinc/96/70/47/723967047.db2.gz XBICUYUYPVACNA-WPRPVWTQSA-N 0 3 359.348 3.494 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCN(CC(F)(F)F)C1 ZINC000778159496 724305049 /nfs/dbraw/zinc/30/50/49/724305049.db2.gz WLPYWQFSRYOIDI-CYBMUJFWSA-N 0 3 360.807 3.326 20 30 FGEDHN N#Cc1ccc(COC(=O)C2CCN(C3CC3)CC2)c(OC(F)F)c1 ZINC000801875707 724342967 /nfs/dbraw/zinc/34/29/67/724342967.db2.gz SKQISCAOPXHPKC-UHFFFAOYSA-N 0 3 350.365 3.077 20 30 FGEDHN CON=Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000802377649 724379922 /nfs/dbraw/zinc/37/99/22/724379922.db2.gz MYJOXZBOWXPJSR-GOSISDBHSA-N 0 3 359.857 3.353 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531026 724986833 /nfs/dbraw/zinc/98/68/33/724986833.db2.gz MQOMPISLHXRZMD-QBIMZIAESA-N 0 3 362.857 3.260 20 30 FGEDHN N#CC(C(=O)CCCc1ccsc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571365 724989243 /nfs/dbraw/zinc/98/92/43/724989243.db2.gz WQBBZYNCGHEDQN-CQSZACIVSA-N 0 3 362.401 3.374 20 30 FGEDHN CCOC(=O)C(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000805855134 725100659 /nfs/dbraw/zinc/10/06/59/725100659.db2.gz DQQOMGFPNGVXNS-NSHDSACASA-N 0 3 368.792 3.106 20 30 FGEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000805854501 725100709 /nfs/dbraw/zinc/10/07/09/725100709.db2.gz WSGDBEGCTRXDGF-WXRRBKDZSA-N 0 3 364.829 3.120 20 30 FGEDHN C#Cc1cccc(NC(=S)N[C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000789393612 725126285 /nfs/dbraw/zinc/12/62/85/725126285.db2.gz KMYVIRIDEVWOQR-IBGZPJMESA-N 0 3 353.491 3.266 20 30 FGEDHN C#C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(Cl)cc1 ZINC000810099572 725288633 /nfs/dbraw/zinc/28/86/33/725288633.db2.gz LHIVSZMCJKGNKI-GOSISDBHSA-N 0 3 362.882 3.054 20 30 FGEDHN CC(COC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N+](=O)[O-] ZINC000813103649 726839352 /nfs/dbraw/zinc/83/93/52/726839352.db2.gz DGNJPFRRGDGZIH-GFCCVEGCSA-N 0 3 365.817 3.027 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(F)c1 ZINC000815904562 727105974 /nfs/dbraw/zinc/10/59/74/727105974.db2.gz JJIVVZZEIVTRKK-ZDUSSCGKSA-N 0 3 354.809 3.263 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CCCN(C)C2)s1 ZINC000819314207 727366552 /nfs/dbraw/zinc/36/65/52/727366552.db2.gz ULGUXOPAIMBZRP-CYBMUJFWSA-N 0 3 373.975 3.391 20 30 FGEDHN C#C[C@@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000820750171 729025617 /nfs/dbraw/zinc/02/56/17/729025617.db2.gz LMDBFECGCJMYGL-FZKQIMNGSA-N 0 3 363.864 3.279 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000836489372 729957536 /nfs/dbraw/zinc/95/75/36/729957536.db2.gz ZECXUUZBKZOUSV-CQSZACIVSA-N 0 3 355.404 3.363 20 30 FGEDHN CC[C@@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842289723 730481136 /nfs/dbraw/zinc/48/11/36/730481136.db2.gz SLEMRGJSALODJX-WFASDCNBSA-N 0 3 363.255 3.005 20 30 FGEDHN CCOC(=O)C1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCC1 ZINC000842803008 730545325 /nfs/dbraw/zinc/54/53/25/730545325.db2.gz LJQDWENTKDREAW-LBPRGKRZSA-N 0 3 354.328 3.400 20 30 FGEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C2(CCC2)CO1 ZINC000844422257 730715837 /nfs/dbraw/zinc/71/58/37/730715837.db2.gz LELMUUNWSPQIRR-ZIAGYGMSSA-N 0 3 355.463 3.116 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CC3(Br)CC3)CC2)c1 ZINC000846819845 730983955 /nfs/dbraw/zinc/98/39/55/730983955.db2.gz CZFNWGRHRFIJSZ-UHFFFAOYSA-N 0 3 362.271 3.136 20 30 FGEDHN COC(=O)[C@]12CN(Cc3cc(Cl)ccc3OCC#N)C[C@H]1CCCC2 ZINC000847016250 731007208 /nfs/dbraw/zinc/00/72/08/731007208.db2.gz YLLVXRHYAQRIHW-DNVCBOLYSA-N 0 3 362.857 3.408 20 30 FGEDHN C=CCCCCCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000848563563 731182176 /nfs/dbraw/zinc/18/21/76/731182176.db2.gz VDDXGHZRWNUSOW-AWEZNQCLSA-N 0 3 359.923 3.041 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NCC2(S(=O)(=O)CC)CC2)cc1 ZINC000850557274 731372924 /nfs/dbraw/zinc/37/29/24/731372924.db2.gz NOUDERSAYZXZMB-CQSZACIVSA-N 0 3 357.903 3.436 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000850760559 731385931 /nfs/dbraw/zinc/38/59/31/731385931.db2.gz ACUGMIQRVZEGFP-AXAPSJFSSA-N 0 3 364.829 3.201 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1cscn1 ZINC000853097785 731665077 /nfs/dbraw/zinc/66/50/77/731665077.db2.gz FINUBYNSMSEJGI-LLVKDONJSA-N 0 3 363.826 3.004 20 30 FGEDHN CCn1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1 ZINC000860473752 732519446 /nfs/dbraw/zinc/51/94/46/732519446.db2.gz RKBCZSAXUKUYPD-CYBMUJFWSA-N 0 3 365.220 3.479 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000876641354 736125690 /nfs/dbraw/zinc/12/56/90/736125690.db2.gz MOODCMKTBWPBQO-KBPBESRZSA-N 0 3 363.672 3.363 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876890821 736158557 /nfs/dbraw/zinc/15/85/57/736158557.db2.gz JYWLWERPSDKGQK-YESZJQIVSA-N 0 3 371.859 3.075 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000884048432 737628081 /nfs/dbraw/zinc/62/80/81/737628081.db2.gz KWHGEFQPDWDVFJ-IAZHFHGHSA-N 0 3 355.772 3.019 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1nc(-c3cccc(F)c3)cs1)C2 ZINC000884061442 737629953 /nfs/dbraw/zinc/62/99/53/737629953.db2.gz IHBGYFVYVFWENQ-XYEKJYRLSA-N 0 3 356.426 3.027 20 30 FGEDHN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884110256 737634346 /nfs/dbraw/zinc/63/43/46/737634346.db2.gz DLDDWNOEEOQUHM-ZHKKWPCLSA-N 0 3 366.292 3.180 20 30 FGEDHN COC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(Br)c1 ZINC000886310545 739243194 /nfs/dbraw/zinc/24/31/94/739243194.db2.gz NWPJSOMRZZSFFX-JKSUJKDBSA-N 0 3 367.287 3.171 20 30 FGEDHN C#CCN(C(=O)CCc1cccc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000886579043 739271668 /nfs/dbraw/zinc/27/16/68/739271668.db2.gz VSDKLYCISYRMIQ-UHFFFAOYSA-N 0 3 352.400 3.194 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000888954151 739609915 /nfs/dbraw/zinc/60/99/15/739609915.db2.gz HMYPMBYQUQCQSM-YQQQUEKLSA-N 0 3 357.523 3.123 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC/C=C(/C)COC ZINC000901425992 743276438 /nfs/dbraw/zinc/27/64/38/743276438.db2.gz YJMJEFRNITZQCA-SXGWCWSVSA-N 0 3 350.532 3.177 20 30 FGEDHN C[C@H](NC[C@H](CO)Cc1ccccc1Br)c1cc(C#N)ccn1 ZINC000902972370 743794752 /nfs/dbraw/zinc/79/47/52/743794752.db2.gz DDRNANADGSYZAC-DZGCQCFKSA-N 0 3 374.282 3.218 20 30 FGEDHN C=CCC[C@@H](NC[C@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000903224486 743825151 /nfs/dbraw/zinc/82/51/51/743825151.db2.gz WSLNCSORORXJNJ-IAGOWNOFSA-N 0 3 357.903 3.141 20 30 FGEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000904207285 743939114 /nfs/dbraw/zinc/93/91/14/743939114.db2.gz XYMFBPVMPTYAEC-ZWKOTPCHSA-N 0 3 350.507 3.032 20 30 FGEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000904207285 743939117 /nfs/dbraw/zinc/93/91/17/743939117.db2.gz XYMFBPVMPTYAEC-ZWKOTPCHSA-N 0 3 350.507 3.032 20 30 FGEDHN C#CCN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000906452449 744133675 /nfs/dbraw/zinc/13/36/75/744133675.db2.gz SLPDLPSQNDWPJH-UHFFFAOYSA-N 0 3 370.236 3.071 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000916877120 758149500 /nfs/dbraw/zinc/14/95/00/758149500.db2.gz BSRSTRWHYHCGQC-YWTNHNAXSA-N 0 3 350.503 3.479 20 30 FGEDHN COc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000916880598 758149969 /nfs/dbraw/zinc/14/99/69/758149969.db2.gz CSTIPUQJVPTZGG-MRXNPFEDSA-N 0 3 358.781 3.075 20 30 FGEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000916910930 758154021 /nfs/dbraw/zinc/15/40/21/758154021.db2.gz KSVZEGACXJDBQZ-ZDUSSCGKSA-N 0 3 357.797 3.483 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](Cc3nc(C)cs3)C2)CC1 ZINC000917097976 758177100 /nfs/dbraw/zinc/17/71/00/758177100.db2.gz OSCCAHMWBIRHDZ-MRXNPFEDSA-N 0 3 362.543 3.066 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1(C(F)(F)F)CC1 ZINC000932297252 761123746 /nfs/dbraw/zinc/12/37/46/761123746.db2.gz IAPFUQYRDSUKBW-JTQLQIEISA-N 0 3 353.369 3.499 20 30 FGEDHN CCC[C@H](O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945067 761282660 /nfs/dbraw/zinc/28/26/60/761282660.db2.gz QPHWCFXPWHMVBV-DJLDLDEBSA-N 0 3 355.269 3.250 20 30 FGEDHN C[C@H]1CSCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934302391 761591480 /nfs/dbraw/zinc/59/14/80/761591480.db2.gz YQLSQVHNZAWYOK-ZFWWWQNUSA-N 0 3 352.463 3.051 20 30 FGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1CCCO[C@H]1C(=C)C)C2 ZINC000965381902 762811686 /nfs/dbraw/zinc/81/16/86/762811686.db2.gz WVQSJJAISPXSBZ-IOAIVIQVSA-N 0 3 352.906 3.127 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC000990740738 764559667 /nfs/dbraw/zinc/55/96/67/764559667.db2.gz LJUTZPPCAPLFAK-LXZJYRNTSA-N 0 3 360.523 3.343 20 30 FGEDHN CC1(C)CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@@H]1NCc1ccc(C#N)s1 ZINC000996072090 764986378 /nfs/dbraw/zinc/98/63/78/764986378.db2.gz OYMUGGSFALBMPK-WBAXXEDZSA-N 0 3 357.523 3.383 20 30 FGEDHN C#CCN1CCC(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1 ZINC001001412249 765285126 /nfs/dbraw/zinc/28/51/26/765285126.db2.gz IYPDXGYRKXSSDF-GQGLESIBSA-N 0 3 356.432 3.063 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC001015727260 765800723 /nfs/dbraw/zinc/80/07/23/765800723.db2.gz YPNWLKQQUSDGLX-NXHRZFHOSA-N 0 3 356.491 3.183 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001015828413 765811320 /nfs/dbraw/zinc/81/13/20/765811320.db2.gz GVDXLKXVVOIGKS-FHWLQOOXSA-N 0 3 362.901 3.054 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(C)cc2Cl)C1 ZINC001020726681 765887893 /nfs/dbraw/zinc/88/78/93/765887893.db2.gz RWRAIJRCRLEMSR-DWRORGKVSA-N 0 3 362.901 3.366 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023637146 766045581 /nfs/dbraw/zinc/04/55/81/766045581.db2.gz FGIGTXXMBCWKJQ-PMPSAXMXSA-N 0 3 362.436 3.138 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cc(C)sc2C)C1 ZINC001027584879 766098328 /nfs/dbraw/zinc/09/83/28/766098328.db2.gz VEKMUHBPTYXWGB-QRVBRYPASA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001027613453 766102258 /nfs/dbraw/zinc/10/22/58/766102258.db2.gz XRJHBFRRBNMUOY-QYZOEREBSA-N 0 3 362.539 3.461 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CNCc2ccsc2)cc1 ZINC001034829963 766249369 /nfs/dbraw/zinc/24/93/69/766249369.db2.gz YRVIYKZBTFUPCO-MOPGFXCFSA-N 0 3 356.491 3.245 20 30 FGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1 ZINC001039160173 766293661 /nfs/dbraw/zinc/29/36/61/766293661.db2.gz JCWAYURUOZWLSV-QYZOEREBSA-N 0 3 366.933 3.281 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccsc1)C2 ZINC001040410061 766304913 /nfs/dbraw/zinc/30/49/13/766304913.db2.gz DFMKLJQMCUTFFQ-WSTZPKSXSA-N 0 3 360.523 3.154 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001054212983 767003165 /nfs/dbraw/zinc/00/31/65/767003165.db2.gz RIWZJAXHTPMNEY-OGJWBYIPSA-N 0 3 366.933 3.425 20 30 FGEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1cccc(Br)c1 ZINC000594435689 507131108 /nfs/dbraw/zinc/13/11/08/507131108.db2.gz FZYDHBRSPRXFFN-OAHLLOKOSA-N 0 3 366.303 3.254 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)Nc2cccc(C#N)n2)N(C)C)cc1 ZINC000570840001 505592722 /nfs/dbraw/zinc/59/27/22/505592722.db2.gz RDZHCHBKUIAUKV-INIZCTEOSA-N 0 3 355.467 3.100 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000570830840 505590425 /nfs/dbraw/zinc/59/04/25/505590425.db2.gz QPXBFVGUFJVAMM-LBPRGKRZSA-N 0 3 374.322 3.399 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000576810445 505600022 /nfs/dbraw/zinc/60/00/22/505600022.db2.gz IXBGOIAEIDZHRT-GOSISDBHSA-N 0 3 356.857 3.420 20 30 FGEDHN N#Cc1cnc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(F)c1 ZINC000568050337 505604094 /nfs/dbraw/zinc/60/40/94/505604094.db2.gz RWPNJXVDIUWOCZ-UHFFFAOYSA-N 0 3 351.429 3.368 20 30 FGEDHN C[C@]1(NC(=O)NCc2ccc(CC#N)cc2)CCN(Cc2ccccc2)C1 ZINC000576997536 505641640 /nfs/dbraw/zinc/64/16/40/505641640.db2.gz VHLSCHRLLZHLAZ-QFIPXVFZSA-N 0 3 362.477 3.216 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(Cn4ccnc4)cn3)CC2)cc1 ZINC000577025867 505646944 /nfs/dbraw/zinc/64/69/44/505646944.db2.gz DWUDCXCDYOSKOZ-UHFFFAOYSA-N 0 3 372.476 3.275 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(NC(=O)[C@@H]3CCCO3)c1)CC2 ZINC000571091594 505651124 /nfs/dbraw/zinc/65/11/24/505651124.db2.gz BVNSZXNQJZVAKH-RTWAWAEBSA-N 0 3 361.445 3.453 20 30 FGEDHN C=CCOc1ccccc1CNC[C@]1(COC)OCCc2ccccc21 ZINC000580060247 505672027 /nfs/dbraw/zinc/67/20/27/505672027.db2.gz ZWQBUMWQLWXVMB-JOCHJYFZSA-N 0 3 353.462 3.456 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000580095818 505676192 /nfs/dbraw/zinc/67/61/92/505676192.db2.gz ILRLUWZNWBUGAD-FQEVSTJZSA-N 0 3 357.498 3.056 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000068386053 493809334 /nfs/dbraw/zinc/80/93/34/493809334.db2.gz DIBFMTOQFQTLFF-INIZCTEOSA-N 0 3 351.450 3.183 20 30 FGEDHN COc1cc(CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)ccc1C#N ZINC000568385241 505681916 /nfs/dbraw/zinc/68/19/16/505681916.db2.gz WBYDLMFEGPITAF-CTNGQTDRSA-N 0 3 366.461 3.112 20 30 FGEDHN C=C(C)COc1cc(CNCc2ccc(C(=O)NC)cc2)ccc1OC ZINC000057961890 493818114 /nfs/dbraw/zinc/81/81/14/493818114.db2.gz KTKWLHBMJDYKQC-UHFFFAOYSA-N 0 3 354.450 3.300 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(C2)CCOCC3)cc1 ZINC000076177598 493837888 /nfs/dbraw/zinc/83/78/88/493837888.db2.gz XZRQZFRESNYRNG-GOSISDBHSA-N 0 3 355.482 3.133 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000029753125 493856023 /nfs/dbraw/zinc/85/60/23/493856023.db2.gz CSPWIQZEHFOPSX-QGZVFWFLSA-N 0 3 363.461 3.106 20 30 FGEDHN CC[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000030144945 493877594 /nfs/dbraw/zinc/87/75/94/493877594.db2.gz FWZSPSDKJWDPFA-HNNXBMFYSA-N 0 3 352.400 3.295 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000076395503 493884486 /nfs/dbraw/zinc/88/44/86/493884486.db2.gz HHAWKFYESVOSLW-GOSISDBHSA-N 0 3 361.449 3.249 20 30 FGEDHN CC(C)(C)n1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000068991555 493903769 /nfs/dbraw/zinc/90/37/69/493903769.db2.gz MLAVOEUROFYFOU-KRWDZBQOSA-N 0 3 355.461 3.407 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000580157324 505690390 /nfs/dbraw/zinc/69/03/90/505690390.db2.gz RFFATXKTOFKQBH-AABGKKOBSA-N 0 3 358.482 3.072 20 30 FGEDHN Cc1ccc(C(=O)NC2CCN(CCOc3ccc(C#N)cc3)CC2)s1 ZINC000051099043 493949678 /nfs/dbraw/zinc/94/96/78/493949678.db2.gz SIBQXPYUPHNZBW-UHFFFAOYSA-N 0 3 369.490 3.201 20 30 FGEDHN N#Cc1ccccc1OCc1ccc(C(=O)NC2CCN(C3CC3)CC2)o1 ZINC000051284359 493959010 /nfs/dbraw/zinc/95/90/10/493959010.db2.gz RMTPPAPNDRGXPM-UHFFFAOYSA-N 0 3 365.433 3.087 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)nc(C)n1 ZINC000076822734 493975348 /nfs/dbraw/zinc/97/53/48/493975348.db2.gz UVVNUGHJAUXOIZ-QGZVFWFLSA-N 0 3 364.449 3.246 20 30 FGEDHN N#CC(C(=O)c1cccc(NC(N)=O)c1)c1nc2ccccc2n1C(F)F ZINC000051655562 493981236 /nfs/dbraw/zinc/98/12/36/493981236.db2.gz BCDALJKZJALDKA-LBPRGKRZSA-N 0 3 369.331 3.412 20 30 FGEDHN C=CCOc1ccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000062421251 494011935 /nfs/dbraw/zinc/01/19/35/494011935.db2.gz JEHOLBCIONDAEM-OAHLLOKOSA-N 0 3 360.479 3.474 20 30 FGEDHN COCCN(CCCOc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1 ZINC000063753505 494084699 /nfs/dbraw/zinc/08/46/99/494084699.db2.gz KNFADJPTTNGFNZ-UHFFFAOYSA-N 0 3 368.433 3.204 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)ccc1OC ZINC000077457046 494087105 /nfs/dbraw/zinc/08/71/05/494087105.db2.gz BSJGLQUJEAUXKP-DLBZAZTESA-N 0 3 367.511 3.096 20 30 FGEDHN CN(CCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccncc1 ZINC000568469639 505701583 /nfs/dbraw/zinc/70/15/83/505701583.db2.gz HWQCVUIMVZQQBO-UHFFFAOYSA-N 0 3 364.327 3.317 20 30 FGEDHN Cc1cc(C)cc(C[C@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000574150823 505705382 /nfs/dbraw/zinc/70/53/82/505705382.db2.gz GXTPKLRQODLRIK-KRWDZBQOSA-N 0 3 356.491 3.170 20 30 FGEDHN CC[C@H](CNC(=O)NCc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000042326389 494215811 /nfs/dbraw/zinc/21/58/11/494215811.db2.gz NSWYICPVBUCFLL-OAQYLSRUSA-N 0 3 362.477 3.194 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000065865969 494249021 /nfs/dbraw/zinc/24/90/21/494249021.db2.gz UCCOROYUKMQGGD-LJQANCHMSA-N 0 3 351.425 3.226 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000065963075 494262440 /nfs/dbraw/zinc/26/24/40/494262440.db2.gz YYXJWTSFDDHPIH-UHFFFAOYSA-N 0 3 369.509 3.488 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(COc3ccccc3)CC2)cc1 ZINC000055082014 494298359 /nfs/dbraw/zinc/29/83/59/494298359.db2.gz XPJWXWWSKIFSSA-FQEVSTJZSA-N 0 3 366.461 3.089 20 30 FGEDHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000043644236 494308949 /nfs/dbraw/zinc/30/89/49/494308949.db2.gz XSJPBTAPHPYIAP-INIZCTEOSA-N 0 3 364.367 3.449 20 30 FGEDHN CN1CCC(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000073309911 494355444 /nfs/dbraw/zinc/35/54/44/494355444.db2.gz MOACHNJFWAPCJI-NRFANRHFSA-N 0 3 363.461 3.288 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000078766905 494357306 /nfs/dbraw/zinc/35/73/06/494357306.db2.gz MZKZCMQPMZUGMF-UHFFFAOYSA-N 0 3 358.461 3.189 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)N(C)C)cc1 ZINC000073493912 494378595 /nfs/dbraw/zinc/37/85/95/494378595.db2.gz TZFABKKDPDRRLR-FQEVSTJZSA-N 0 3 368.456 3.362 20 30 FGEDHN Cc1cnc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000079080829 494401261 /nfs/dbraw/zinc/40/12/61/494401261.db2.gz BKFFSBVBJOVKOB-HNNXBMFYSA-N 0 3 371.510 3.158 20 30 FGEDHN Cc1nc(C(=O)Nc2ccc(N(C)C3CCN(C)CC3)cc2)ccc1C#N ZINC000079147490 494410487 /nfs/dbraw/zinc/41/04/87/494410487.db2.gz LQLPCKXKDNZHPI-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000067060390 494465621 /nfs/dbraw/zinc/46/56/21/494465621.db2.gz FQTJLAOKHFXOOS-UHFFFAOYSA-N 0 3 350.466 3.352 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091101547 494534816 /nfs/dbraw/zinc/53/48/16/494534816.db2.gz NJUCERUHJAGEME-UHFFFAOYSA-N 0 3 357.457 3.187 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000022850292 494538498 /nfs/dbraw/zinc/53/84/98/494538498.db2.gz VHWMDJZKGZHEJX-UHFFFAOYSA-N 0 3 353.441 3.284 20 30 FGEDHN C[C@H]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000056817243 494568961 /nfs/dbraw/zinc/56/89/61/494568961.db2.gz FFMSPZYVKPJUHW-PXNSSMCTSA-N 0 3 356.514 3.458 20 30 FGEDHN C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574243458 505728763 /nfs/dbraw/zinc/72/87/63/505728763.db2.gz QWGWUWWMWGZLCO-LJQANCHMSA-N 0 3 374.492 3.237 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)CCC2 ZINC000047010512 494615589 /nfs/dbraw/zinc/61/55/89/494615589.db2.gz STNQAYAVUHEQKX-UHFFFAOYSA-N 0 3 353.491 3.312 20 30 FGEDHN N#CC(C(=O)c1csc(I)c1)c1ccccn1 ZINC000107876217 494617207 /nfs/dbraw/zinc/61/72/07/494617207.db2.gz GMZXUWNVMOAMFD-VIFPVBQESA-N 0 3 354.172 3.238 20 30 FGEDHN C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1ccc(C#N)cc1 ZINC000057202367 494678073 /nfs/dbraw/zinc/67/80/73/494678073.db2.gz KJINDQYEXYVMAD-OXJNMPFZSA-N 0 3 350.466 3.091 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000116216510 494734397 /nfs/dbraw/zinc/73/43/97/494734397.db2.gz UWNARIDJRSNVJO-QGZVFWFLSA-N 0 3 362.477 3.312 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(C)C ZINC000047633500 494750747 /nfs/dbraw/zinc/75/07/47/494750747.db2.gz JZJYKFBVTFQPCM-IEBWSBKVSA-N 0 3 373.472 3.066 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)COC2 ZINC000092162402 494801864 /nfs/dbraw/zinc/80/18/64/494801864.db2.gz KIMWSWDTTCMPNA-UHFFFAOYSA-N 0 3 364.449 3.184 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000127004185 494877386 /nfs/dbraw/zinc/87/73/86/494877386.db2.gz SFMHAJQYPWOVBA-YJBOKZPZSA-N 0 3 374.529 3.462 20 30 FGEDHN CNC(=O)[C@@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000093361112 494877897 /nfs/dbraw/zinc/87/78/97/494877897.db2.gz MLZXXUWCQDQWHA-HXUWFJFHSA-N 0 3 363.461 3.095 20 30 FGEDHN CNC(=O)[C@@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093361234 494878647 /nfs/dbraw/zinc/87/86/47/494878647.db2.gz SSGJYTCLROBKAM-LJQANCHMSA-N 0 3 363.461 3.095 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)c(Cl)c2)CC1 ZINC000121877260 494880057 /nfs/dbraw/zinc/88/00/57/494880057.db2.gz SGYPVPVWECSFAN-UHFFFAOYSA-N 0 3 351.878 3.188 20 30 FGEDHN N#Cc1ccc(NCC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000109570356 494892038 /nfs/dbraw/zinc/89/20/38/494892038.db2.gz FVTKJSKPKLMZAS-QGZVFWFLSA-N 0 3 368.506 3.060 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000132603390 494898173 /nfs/dbraw/zinc/89/81/73/494898173.db2.gz ALTZAEWOUDIJAZ-SFHVURJKSA-N 0 3 357.498 3.486 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(OCc3ccccc3C)CC2)CC1 ZINC000093797299 494922323 /nfs/dbraw/zinc/92/23/23/494922323.db2.gz VSOZSYHFWPPHSL-UHFFFAOYSA-N 0 3 371.525 3.336 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000132902314 494940560 /nfs/dbraw/zinc/94/05/60/494940560.db2.gz LRRUJAGAOSHYJP-UHFFFAOYSA-N 0 3 373.241 3.498 20 30 FGEDHN CN(C)CCOC1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000568692267 505753867 /nfs/dbraw/zinc/75/38/67/505753867.db2.gz ZLFPLRFKEUCVOG-UHFFFAOYSA-N 0 3 355.404 3.120 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110556086 494988439 /nfs/dbraw/zinc/98/84/39/494988439.db2.gz DTMDZHBJLHMNCD-AWEZNQCLSA-N 0 3 352.400 3.098 20 30 FGEDHN C=CCCOCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000122657227 495010755 /nfs/dbraw/zinc/01/07/55/495010755.db2.gz LHOGVVXVINOZSH-ICSRJNTNSA-N 0 3 359.514 3.274 20 30 FGEDHN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000133546249 495026610 /nfs/dbraw/zinc/02/66/10/495026610.db2.gz CUALSPSXCCAGLG-UHFFFAOYSA-N 0 3 372.513 3.174 20 30 FGEDHN CO/N=C/c1ccc(C(=O)Nc2ccc(C)cc2OCCN(C)C)cc1 ZINC000133599903 495034093 /nfs/dbraw/zinc/03/40/93/495034093.db2.gz ZKJZIYIIHKVQSO-KGENOOAVSA-N 0 3 355.438 3.168 20 30 FGEDHN CC(C)(C)n1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000122843188 495039564 /nfs/dbraw/zinc/03/95/64/495039564.db2.gz JDPPQDKIPSSLRG-UHFFFAOYSA-N 0 3 351.498 3.218 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000123142393 495087321 /nfs/dbraw/zinc/08/73/21/495087321.db2.gz OETPMXUXEKLLSO-LAUBAEHRSA-N 0 3 363.461 3.258 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000571560362 505761257 /nfs/dbraw/zinc/76/12/57/505761257.db2.gz CBASLOXKGUBIKO-IBGZPJMESA-N 0 3 370.522 3.040 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCN1CCOC ZINC000111867242 495122648 /nfs/dbraw/zinc/12/26/48/495122648.db2.gz GJEFUMILVIJKIN-CQSZACIVSA-N 0 3 371.934 3.210 20 30 FGEDHN CC(C)[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000102691074 495154006 /nfs/dbraw/zinc/15/40/06/495154006.db2.gz DTTMCUSIAUTVFK-OAQYLSRUSA-N 0 3 365.433 3.255 20 30 FGEDHN C=CCCS(=O)(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000119709192 495224340 /nfs/dbraw/zinc/22/43/40/495224340.db2.gz PBDTVPMLYUGHTM-IRXDYDNUSA-N 0 3 350.528 3.160 20 30 FGEDHN C=CCC(CC=C)C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000129342009 495231613 /nfs/dbraw/zinc/23/16/13/495231613.db2.gz BFCUCGVSDZFUNT-GOSISDBHSA-N 0 3 355.482 3.091 20 30 FGEDHN CC[C@H](OC1CCCC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000112791677 495240799 /nfs/dbraw/zinc/24/07/99/495240799.db2.gz PUNQSVUUNXCGJC-FQEVSTJZSA-N 0 3 357.498 3.186 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ncsc1Br)C(C)C ZINC000577671903 505772473 /nfs/dbraw/zinc/77/24/73/505772473.db2.gz OGMBWSRUSNNAQA-GFCCVEGCSA-N 0 3 372.332 3.334 20 30 FGEDHN CC(C)CO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000120129494 495313200 /nfs/dbraw/zinc/31/32/00/495313200.db2.gz QKOLVBVOZXQSCS-AWEZNQCLSA-N 0 3 361.511 3.184 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000106039391 495406908 /nfs/dbraw/zinc/40/69/08/495406908.db2.gz QCIWNDUVRRXZEM-UHFFFAOYSA-N 0 3 352.482 3.259 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000120710109 495440194 /nfs/dbraw/zinc/44/01/94/495440194.db2.gz PLIZPGCQKIVGAA-UHFFFAOYSA-N 0 3 372.469 3.309 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2Br)CC1 ZINC000106267737 495441137 /nfs/dbraw/zinc/44/11/37/495441137.db2.gz MYLFFJYBCTUYPC-UHFFFAOYSA-N 0 3 366.303 3.289 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CN(CC)C(C)=O)c2)CC1 ZINC000106320082 495444409 /nfs/dbraw/zinc/44/44/09/495444409.db2.gz NOBNNANZOXGJNO-UHFFFAOYSA-N 0 3 372.513 3.217 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000106323056 495444941 /nfs/dbraw/zinc/44/49/41/495444941.db2.gz NBPTYZRHJWYUGJ-UHFFFAOYSA-N 0 3 363.512 3.429 20 30 FGEDHN C[C@H](CCCOc1ccccc1C(N)=O)NCc1ccc(C#N)cc1F ZINC000138684413 495466076 /nfs/dbraw/zinc/46/60/76/495466076.db2.gz UJRNHSJDYOPBDX-CQSZACIVSA-N 0 3 355.413 3.134 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nn(-c3ccccc3)cc2C)CC1 ZINC000106562948 495470248 /nfs/dbraw/zinc/47/02/48/495470248.db2.gz BFIOBYHALRNAQZ-UHFFFAOYSA-N 0 3 353.470 3.343 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000139061665 495471692 /nfs/dbraw/zinc/47/16/92/495471692.db2.gz PPWVUXBLAUPNED-UHFFFAOYSA-N 0 3 370.541 3.176 20 30 FGEDHN CC[C@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCCO1 ZINC000182378802 495539534 /nfs/dbraw/zinc/53/95/34/495539534.db2.gz AKQKJHGQPSKBMR-ZWKOTPCHSA-N 0 3 363.889 3.442 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2cc(F)ccc2Br)CC1 ZINC000182406742 495551573 /nfs/dbraw/zinc/55/15/73/495551573.db2.gz PNRZLESVRGUAEY-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000179364203 495561529 /nfs/dbraw/zinc/56/15/29/495561529.db2.gz PSGAOOJJSIZFOA-UHFFFAOYSA-N 0 3 354.429 3.158 20 30 FGEDHN C=CCNC(=O)[C@@H](C)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000170714982 495578647 /nfs/dbraw/zinc/57/86/47/495578647.db2.gz GFLCJNWLDPCRTJ-GOSISDBHSA-N 0 3 374.488 3.379 20 30 FGEDHN N#Cc1ccc(N2CCN(CC3CCC(C(F)(F)F)CC3)CC2)nc1 ZINC000185493661 495598251 /nfs/dbraw/zinc/59/82/51/495598251.db2.gz WNLILLIMRSTISZ-UHFFFAOYSA-N 0 3 352.404 3.444 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000182540586 495606343 /nfs/dbraw/zinc/60/63/43/495606343.db2.gz QJIBTDPPCFRKJC-UHFFFAOYSA-N 0 3 374.229 3.499 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)c(C#N)c1C ZINC000185580600 495632003 /nfs/dbraw/zinc/63/20/03/495632003.db2.gz IOEJMUSPCFXUSQ-IGCXYCKISA-N 0 3 353.422 3.249 20 30 FGEDHN CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCCCCC1 ZINC000182617096 495637385 /nfs/dbraw/zinc/63/73/85/495637385.db2.gz CZVQTVRJGSHOBY-GOSISDBHSA-N 0 3 374.554 3.112 20 30 FGEDHN CCN(C[C@@H]1CCN(CCOc2ccccc2C#N)C1)CC(F)(F)F ZINC000176402902 495637779 /nfs/dbraw/zinc/63/77/79/495637779.db2.gz DOEMBXHKMLVZST-HNNXBMFYSA-N 0 3 355.404 3.143 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000176500673 495675219 /nfs/dbraw/zinc/67/52/19/495675219.db2.gz KIZZLODTEMYOKO-OAHLLOKOSA-N 0 3 365.905 3.447 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)C1CCOCC1 ZINC000179858318 495761149 /nfs/dbraw/zinc/76/11/49/495761149.db2.gz OOKXYEJIJHXBII-HUUCEWRRSA-N 0 3 361.511 3.282 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2-n2ccc(C)n2)CC1 ZINC000151231356 495778814 /nfs/dbraw/zinc/77/88/14/495778814.db2.gz DEQMRJPXKYGEPX-UHFFFAOYSA-N 0 3 353.470 3.343 20 30 FGEDHN C[C@@H]1CCN(CC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000173995031 495780604 /nfs/dbraw/zinc/78/06/04/495780604.db2.gz QBWAYCWSOJKLHF-MRXNPFEDSA-N 0 3 368.506 3.155 20 30 FGEDHN C[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000173995683 495781451 /nfs/dbraw/zinc/78/14/51/495781451.db2.gz MUWAOFHTUQVTAP-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@@H](CO[C@@H]1CCOC1)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000151259166 495786607 /nfs/dbraw/zinc/78/66/07/495786607.db2.gz WIDNNUBRFRBAHJ-HTAPYJJXSA-N 0 3 366.461 3.421 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000176958294 495856791 /nfs/dbraw/zinc/85/67/91/495856791.db2.gz MULXZDGEGATJDU-SFHVURJKSA-N 0 3 361.898 3.436 20 30 FGEDHN CN1CC[C@@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000180101427 495858343 /nfs/dbraw/zinc/85/83/43/495858343.db2.gz XJTQSJPIOXMQOF-NVVTVWOSSA-N 0 3 361.445 3.164 20 30 FGEDHN N#Cc1ccc(CN(CCC(=O)Nc2cc(N)ccc2F)C2CC2)cc1 ZINC000177026201 495888665 /nfs/dbraw/zinc/88/86/65/495888665.db2.gz QYJZAEWVLADMQI-UHFFFAOYSA-N 0 3 352.413 3.273 20 30 FGEDHN N#Cc1ccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1 ZINC000174270396 495889280 /nfs/dbraw/zinc/88/92/80/495889280.db2.gz NHROCIHEESKDQW-UHFFFAOYSA-N 0 3 350.344 3.324 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)N(C)C)cc1 ZINC000171485527 495897654 /nfs/dbraw/zinc/89/76/54/495897654.db2.gz DUQSSYBDQOWVKP-IBGZPJMESA-N 0 3 354.429 3.108 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180188143 495898785 /nfs/dbraw/zinc/89/87/85/495898785.db2.gz AWMFNQCHSPXEBP-UHFFFAOYSA-N 0 3 363.461 3.112 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)CC1 ZINC000171548261 495923213 /nfs/dbraw/zinc/92/32/13/495923213.db2.gz XGBIMLAYFDGHOB-UHFFFAOYSA-N 0 3 372.513 3.121 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000174377440 495933226 /nfs/dbraw/zinc/93/32/26/495933226.db2.gz APLLDYDJLHEGFF-JKSUJKDBSA-N 0 3 359.433 3.422 20 30 FGEDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000160317773 495933317 /nfs/dbraw/zinc/93/33/17/495933317.db2.gz VOTNYPCJGUEPEE-RXVVDRJESA-N 0 3 351.450 3.033 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183367368 495949533 /nfs/dbraw/zinc/94/95/33/495949533.db2.gz ATVSNSNAOXZVHE-INIZCTEOSA-N 0 3 359.426 3.241 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)cc1 ZINC000151861040 495972382 /nfs/dbraw/zinc/97/23/82/495972382.db2.gz PADPYHROQNMGGB-FQEVSTJZSA-N 0 3 363.461 3.391 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000171720044 496006377 /nfs/dbraw/zinc/00/63/77/496006377.db2.gz PUBJSZAVBFSCRE-UHFFFAOYSA-N 0 3 363.461 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000171736530 496013418 /nfs/dbraw/zinc/01/34/18/496013418.db2.gz YPJCYZBVINPIEU-IBGZPJMESA-N 0 3 359.470 3.016 20 30 FGEDHN CN1CCN(c2cccc(Cl)c2CNCc2cccc(C#N)c2)CC1 ZINC000174650717 496047551 /nfs/dbraw/zinc/04/75/51/496047551.db2.gz ASUDDLUZEZIZLI-UHFFFAOYSA-N 0 3 354.885 3.253 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1cccc(C#N)c1 ZINC000160860056 496055065 /nfs/dbraw/zinc/05/50/65/496055065.db2.gz LZSFFUGPQBZFCM-HZPDHXFCSA-N 0 3 359.433 3.422 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cn2C)CCN1Cc1ccccc1 ZINC000177423013 496056490 /nfs/dbraw/zinc/05/64/90/496056490.db2.gz TTZFLEFANZUTFN-APWZRJJASA-N 0 3 350.466 3.022 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000183669313 496070147 /nfs/dbraw/zinc/07/01/47/496070147.db2.gz ISWMXIBSKZTART-PBHICJAKSA-N 0 3 363.527 3.264 20 30 FGEDHN CN(C)Cc1ccccc1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000171947815 496105028 /nfs/dbraw/zinc/10/50/28/496105028.db2.gz FIXTYIICNMMCDF-UHFFFAOYSA-N 0 3 365.477 3.485 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000180700253 496109851 /nfs/dbraw/zinc/10/98/51/496109851.db2.gz RRSDAQXHBHFPIQ-QGZVFWFLSA-N 0 3 359.514 3.187 20 30 FGEDHN N#CCCn1cc(CN[C@H]2Cc3ccccc3[C@@H]2O)c(-c2ccccc2)n1 ZINC000172067761 496149987 /nfs/dbraw/zinc/14/99/87/496149987.db2.gz KAQYKAPGMFPONW-UNMCSNQZSA-N 0 3 358.445 3.212 20 30 FGEDHN CCCOc1ccc(CNC(=N)Nc2ccccn2)c(OC(F)F)c1 ZINC000177687806 496159643 /nfs/dbraw/zinc/15/96/43/496159643.db2.gz GNKAROCPPMYHCF-UHFFFAOYSA-N 0 3 350.369 3.399 20 30 FGEDHN CS[C@H](CO)[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000152502478 496170556 /nfs/dbraw/zinc/17/05/56/496170556.db2.gz MXQOWGZHLDYXQW-MGPUTAFESA-N 0 3 356.491 3.339 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNCCn2cnnc2C2CC2)c1 ZINC000156229618 496192710 /nfs/dbraw/zinc/19/27/10/496192710.db2.gz CBRUTMAULDFMOG-UHFFFAOYSA-N 0 3 373.460 3.396 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1nc2c(s1)COCC2)C(C)C ZINC000172259983 496233866 /nfs/dbraw/zinc/23/38/66/496233866.db2.gz FYJIMCAVMOXRJR-HNNXBMFYSA-N 0 3 364.515 3.036 20 30 FGEDHN CN(c1ccc(NC(=O)c2cccc(F)c2C#N)cc1)C1CCN(C)CC1 ZINC000186976578 496236835 /nfs/dbraw/zinc/23/68/35/496236835.db2.gz DYCGVVPERGKSEM-UHFFFAOYSA-N 0 3 366.440 3.480 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186994883 496244055 /nfs/dbraw/zinc/24/40/55/496244055.db2.gz KNBFUSTZYCHMGM-MRXNPFEDSA-N 0 3 374.554 3.293 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000187012090 496251090 /nfs/dbraw/zinc/25/10/90/496251090.db2.gz SKYRIINPEXVBAD-OAQYLSRUSA-N 0 3 359.473 3.371 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000172390329 496280026 /nfs/dbraw/zinc/28/00/26/496280026.db2.gz IQMURHPIRIAKOE-HNNXBMFYSA-N 0 3 354.454 3.352 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1coc(-c2ccccc2)n1 ZINC000172416015 496289036 /nfs/dbraw/zinc/28/90/36/496289036.db2.gz OEVZSRJYELIDGG-UHFFFAOYSA-N 0 3 374.444 3.417 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2nc(C)c(C)s2)CC1 ZINC000152938539 496301774 /nfs/dbraw/zinc/30/17/74/496301774.db2.gz VTJYNJSHNUUNIZ-UHFFFAOYSA-N 0 3 350.532 3.335 20 30 FGEDHN C=CC[C@H](CO)NCc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000184273140 496313929 /nfs/dbraw/zinc/31/39/29/496313929.db2.gz ZTXCNTMIJRCVPM-GOSISDBHSA-N 0 3 351.450 3.248 20 30 FGEDHN N#Cc1cccc(CNC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000577994699 505836550 /nfs/dbraw/zinc/83/65/50/505836550.db2.gz RHZXEPWIQLDQKR-YADHBBJMSA-N 0 3 374.488 3.222 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCCC[C@@H]2CO)sc2c1CCCCC2 ZINC000153135744 496363570 /nfs/dbraw/zinc/36/35/70/496363570.db2.gz YKLVFWDCLPHWDO-CQSZACIVSA-N 0 3 361.511 3.064 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000181403115 496379713 /nfs/dbraw/zinc/37/97/13/496379713.db2.gz ZUZDVNANGJXBEM-KRWDZBQOSA-N 0 3 359.514 3.187 20 30 FGEDHN C=CCN1CCC(NCc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000187293607 496380031 /nfs/dbraw/zinc/38/00/31/496380031.db2.gz WMNQKTYDOHVTMC-UHFFFAOYSA-N 0 3 354.450 3.473 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)C3(C#N)CCCCC3)CC2)C[C@@H](C)O1 ZINC000178239206 496381739 /nfs/dbraw/zinc/38/17/39/496381739.db2.gz FJVRJASMVXPROO-QZTJIDSGSA-N 0 3 361.530 3.198 20 30 FGEDHN C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181421226 496388341 /nfs/dbraw/zinc/38/83/41/496388341.db2.gz SYLPVLSIFQZFAO-PGRDOPGGSA-N 0 3 365.477 3.313 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)c(C(=O)OCC)s2)CC1 ZINC000153242184 496394235 /nfs/dbraw/zinc/39/42/35/496394235.db2.gz PHNHQNXJSMJSHN-UHFFFAOYSA-N 0 3 365.499 3.395 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000181508220 496425057 /nfs/dbraw/zinc/42/50/57/496425057.db2.gz FWUAQHLEWHGYBU-OAHLLOKOSA-N 0 3 357.376 3.004 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H](C)[C@H]2CCOC2)c1C#N ZINC000162924437 496433855 /nfs/dbraw/zinc/43/38/55/496433855.db2.gz YRZOBZGDWZGBEQ-RDJZCZTQSA-N 0 3 372.513 3.435 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc(F)cc1C#N ZINC000163192833 496479978 /nfs/dbraw/zinc/47/99/78/496479978.db2.gz WGSVLXZOWFRQJX-UHFFFAOYSA-N 0 3 367.428 3.473 20 30 FGEDHN C[C@@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000181788196 496545115 /nfs/dbraw/zinc/54/51/15/496545115.db2.gz ZAUNTIIMWSUPAZ-SJKOYZFVSA-N 0 3 358.825 3.367 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000173101706 496549941 /nfs/dbraw/zinc/54/99/41/496549941.db2.gz ZZKRISFEAGLETP-NSHDSACASA-N 0 3 357.317 3.381 20 30 FGEDHN CC(C)OC(=O)C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000181831419 496564092 /nfs/dbraw/zinc/56/40/92/496564092.db2.gz AUBUJYIKHYZUHM-PMACEKPBSA-N 0 3 352.434 3.264 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)NCc3cccc(C#N)c3)c2)CC1 ZINC000184906596 496580802 /nfs/dbraw/zinc/58/08/02/496580802.db2.gz KOVAKAKCOSZICI-UHFFFAOYSA-N 0 3 363.465 3.022 20 30 FGEDHN C[C@@]1(CNC(=O)NCc2cccc(C#N)c2)CCCN1Cc1ccccc1 ZINC000153873477 496608594 /nfs/dbraw/zinc/60/85/94/496608594.db2.gz PHSDKUMFSLYNTA-QFIPXVFZSA-N 0 3 362.477 3.412 20 30 FGEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)Nc1ccccc1 ZINC000181950596 496610800 /nfs/dbraw/zinc/61/08/00/496610800.db2.gz MKQJFDNCWJJZHL-KRWDZBQOSA-N 0 3 362.477 3.139 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@]2(CO)CC[C@H](C)C2)c1C ZINC000188025390 496656028 /nfs/dbraw/zinc/65/60/28/496656028.db2.gz WOICGBUKXOFVQB-HRAATJIYSA-N 0 3 357.498 3.033 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3oc(N(C)C)nc3c2)CC1 ZINC000165362406 496656260 /nfs/dbraw/zinc/65/62/60/496656260.db2.gz AONDXMZKZFGISW-UHFFFAOYSA-N 0 3 357.458 3.056 20 30 FGEDHN C[C@H](CS(=O)(=O)c1ccccc1)NCCSCc1ccccc1C#N ZINC000185169843 496689409 /nfs/dbraw/zinc/68/94/09/496689409.db2.gz ILHBWPDYLGBEKI-MRXNPFEDSA-N 0 3 374.531 3.243 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000179174497 496701362 /nfs/dbraw/zinc/70/13/62/496701362.db2.gz NRGHPVAHDIDUDK-VQHVLOKHSA-N 0 3 368.868 3.210 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)CC1 ZINC000571982393 505862043 /nfs/dbraw/zinc/86/20/43/505862043.db2.gz RACBMIDBIYVPLB-UHFFFAOYSA-N 0 3 364.497 3.171 20 30 FGEDHN CC[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCO1 ZINC000182334350 496730153 /nfs/dbraw/zinc/73/01/53/496730153.db2.gz GEMMHNWFOKFFAQ-HZPDHXFCSA-N 0 3 361.511 3.374 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCCc4sccc43)C2=O)cc1 ZINC000277364525 496749728 /nfs/dbraw/zinc/74/97/28/496749728.db2.gz WNVPMGCRZPQEIH-QZTJIDSGSA-N 0 3 351.475 3.388 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCCc4sccc43)C2=O)cc1 ZINC000277364529 496750321 /nfs/dbraw/zinc/75/03/21/496750321.db2.gz WNVPMGCRZPQEIH-ROUUACIJSA-N 0 3 351.475 3.388 20 30 FGEDHN COc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000263909609 496761055 /nfs/dbraw/zinc/76/10/55/496761055.db2.gz LPYCYWZSHJXEOS-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCSCc1ccccc1C#N ZINC000273490757 496822392 /nfs/dbraw/zinc/82/23/92/496822392.db2.gz SLUHJJROAKRXBB-INIZCTEOSA-N 0 3 374.554 3.163 20 30 FGEDHN N#Cc1cccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000578130960 505868873 /nfs/dbraw/zinc/86/88/73/505868873.db2.gz RPUNQAMDVMEASK-AWEZNQCLSA-N 0 3 355.467 3.048 20 30 FGEDHN N#Cc1c(Cl)nsc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264203885 496836851 /nfs/dbraw/zinc/83/68/51/496836851.db2.gz DYEZGEYKOOAPCM-UHFFFAOYSA-N 0 3 362.886 3.237 20 30 FGEDHN CCC(CC)(CNCc1cc(C#N)ccc1Br)C(=O)OC ZINC000191815801 496899661 /nfs/dbraw/zinc/89/96/61/496899661.db2.gz VZEYTVPNJDUJFD-UHFFFAOYSA-N 0 3 353.260 3.390 20 30 FGEDHN Cc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000247731101 496910148 /nfs/dbraw/zinc/91/01/48/496910148.db2.gz UQUBLYBELQVVRF-CRAIPNDOSA-N 0 3 357.479 3.072 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000188809386 496914247 /nfs/dbraw/zinc/91/42/47/496914247.db2.gz AIWAKKSRUJGKMY-UHFFFAOYSA-N 0 3 357.454 3.401 20 30 FGEDHN N#CCOc1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000264520999 496919743 /nfs/dbraw/zinc/91/97/43/496919743.db2.gz AJYNIYONCLFVLS-UHFFFAOYSA-N 0 3 355.482 3.250 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)CC1 ZINC000192130286 497004617 /nfs/dbraw/zinc/00/46/17/497004617.db2.gz VTSIANJUJMVMMK-UHFFFAOYSA-N 0 3 370.884 3.372 20 30 FGEDHN CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1C#N ZINC000269819842 497007126 /nfs/dbraw/zinc/00/71/26/497007126.db2.gz IJVBRPOBVCTFSW-BBRMVZONSA-N 0 3 373.457 3.073 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)OCC ZINC000270102933 497058733 /nfs/dbraw/zinc/05/87/33/497058733.db2.gz QVXAHMFJGHJHFQ-AEFFLSMTSA-N 0 3 350.528 3.448 20 30 FGEDHN Cc1cccc(S(=O)(=O)CCCNC2(c3cccc(C#N)c3)CC2)c1 ZINC000274303980 497066061 /nfs/dbraw/zinc/06/60/61/497066061.db2.gz KQWIOVROERDIHI-UHFFFAOYSA-N 0 3 354.475 3.309 20 30 FGEDHN CC(C)N1CCC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000274517913 497114921 /nfs/dbraw/zinc/11/49/21/497114921.db2.gz RREWWNVCQFBPOH-SFHVURJKSA-N 0 3 367.449 3.333 20 30 FGEDHN COc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)ccc1C ZINC000278612437 497167081 /nfs/dbraw/zinc/16/70/81/497167081.db2.gz IXJQXECSFNHKQV-UHFFFAOYSA-N 0 3 361.449 3.466 20 30 FGEDHN Cc1nc(Cl)ccc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000270635073 497167441 /nfs/dbraw/zinc/16/74/41/497167441.db2.gz WWJGBZBOGJYRMY-UHFFFAOYSA-N 0 3 370.884 3.048 20 30 FGEDHN CO[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278726588 497201739 /nfs/dbraw/zinc/20/17/39/497201739.db2.gz TZWLJQZIZGWDNQ-HXUWFJFHSA-N 0 3 361.449 3.336 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@]2(CO)CC[C@@H](C)C2)c1C ZINC000249595091 497226123 /nfs/dbraw/zinc/22/61/23/497226123.db2.gz WOICGBUKXOFVQB-IIBYNOLFSA-N 0 3 357.498 3.033 20 30 FGEDHN N#Cc1nnc2ccccc2c1NCc1ccccc1CN1CCC(O)CC1 ZINC000266229624 497284134 /nfs/dbraw/zinc/28/41/34/497284134.db2.gz JFMOWUSXPZKHKM-UHFFFAOYSA-N 0 3 373.460 3.070 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccoc1Br)C(C)C ZINC000193407847 497373230 /nfs/dbraw/zinc/37/32/30/497373230.db2.gz NANSCROVRXIMRT-CQSZACIVSA-N 0 3 355.276 3.471 20 30 FGEDHN COc1ccc(CCCN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279227354 497373960 /nfs/dbraw/zinc/37/39/60/497373960.db2.gz DJQQMROXBHGVSB-HXUWFJFHSA-N 0 3 361.445 3.340 20 30 FGEDHN Cn1cnc2cc(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc21 ZINC000271727743 497430375 /nfs/dbraw/zinc/43/03/75/497430375.db2.gz MGTFJDKOQVLKLZ-UHFFFAOYSA-N 0 3 373.460 3.296 20 30 FGEDHN C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC#N)cc1 ZINC000271771748 497443784 /nfs/dbraw/zinc/44/37/84/497443784.db2.gz DGCRLPYVJPRZGF-AVRDEDQJSA-N 0 3 365.477 3.141 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000279539542 497467266 /nfs/dbraw/zinc/46/72/66/497467266.db2.gz NGLWKIAZCZORLN-OAQYLSRUSA-N 0 3 364.493 3.429 20 30 FGEDHN CN(C)c1ccc(CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000279680838 497508894 /nfs/dbraw/zinc/50/88/94/497508894.db2.gz GTSOSPRQGLUUCG-HXUWFJFHSA-N 0 3 372.472 3.498 20 30 FGEDHN CC(=O)c1cccc(OC[C@@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000569352191 505914304 /nfs/dbraw/zinc/91/43/04/505914304.db2.gz JLKBCCWLEFJSJX-UGKGYDQZSA-N 0 3 364.445 3.168 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000279875205 497572885 /nfs/dbraw/zinc/57/28/85/497572885.db2.gz CFQCYYONZJOXIP-LPHOPBHVSA-N 0 3 363.392 3.410 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCCCN1CCN(CC)CC1 ZINC000280025015 497624261 /nfs/dbraw/zinc/62/42/61/497624261.db2.gz QZXGQUJZVLNNQY-UHFFFAOYSA-N 0 3 372.557 3.192 20 30 FGEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000246157744 497641044 /nfs/dbraw/zinc/64/10/44/497641044.db2.gz DROVVZOCWWAMAT-RHSMWYFYSA-N 0 3 367.415 3.039 20 30 FGEDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cc(C#N)n(C)c1 ZINC000190925242 497648005 /nfs/dbraw/zinc/64/80/05/497648005.db2.gz RFJKVMYKDKKKSY-MRXNPFEDSA-N 0 3 365.481 3.004 20 30 FGEDHN CC(C)(C)c1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1 ZINC000280102356 497650586 /nfs/dbraw/zinc/65/05/86/497650586.db2.gz PCEMADMNLKNFCO-MRXNPFEDSA-N 0 3 366.490 3.353 20 30 FGEDHN C[C@H](CC[S@@](C)=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000267996973 497655374 /nfs/dbraw/zinc/65/53/74/497655374.db2.gz LQBPFRQBTGVMLS-PUAOIOHZSA-N 0 3 356.491 3.384 20 30 FGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000272596228 497674247 /nfs/dbraw/zinc/67/42/47/497674247.db2.gz XXUGWZCEGRKOTJ-NVXWUHKLSA-N 0 3 359.470 3.324 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000272644682 497688043 /nfs/dbraw/zinc/68/80/43/497688043.db2.gz LZSZNNCYETVIMA-OAQYLSRUSA-N 0 3 363.461 3.328 20 30 FGEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000194502228 497688271 /nfs/dbraw/zinc/68/82/71/497688271.db2.gz SACQBEQAALILMX-SJLPKXTDSA-N 0 3 358.482 3.072 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000191089500 497705169 /nfs/dbraw/zinc/70/51/69/497705169.db2.gz DMXIAASJGCLUKC-UHFFFAOYSA-N 0 3 366.465 3.357 20 30 FGEDHN COC(CCCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000280278431 497706109 /nfs/dbraw/zinc/70/61/09/497706109.db2.gz LAASJJNXIYKWSE-GOSISDBHSA-N 0 3 371.481 3.172 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000280285120 497708007 /nfs/dbraw/zinc/70/80/07/497708007.db2.gz DWWXLFUVZRNDOJ-RHSMWYFYSA-N 0 3 367.836 3.478 20 30 FGEDHN C=CCN(CCOC)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000191129719 497718523 /nfs/dbraw/zinc/71/85/23/497718523.db2.gz OZVAIVFIVATXJE-CQSZACIVSA-N 0 3 361.511 3.208 20 30 FGEDHN CCN(C)c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000191200880 497741940 /nfs/dbraw/zinc/74/19/40/497741940.db2.gz NTXPASJXYSNHDZ-UHFFFAOYSA-N 0 3 363.509 3.117 20 30 FGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569412822 505928374 /nfs/dbraw/zinc/92/83/74/505928374.db2.gz LHLYICXPNZSQCF-UYAOXDASSA-N 0 3 357.404 3.380 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000280468685 497764113 /nfs/dbraw/zinc/76/41/13/497764113.db2.gz TUNXPAVOHDKLIG-ZMYBRWDISA-N 0 3 365.458 3.291 20 30 FGEDHN C[C@@H]1C[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000268516947 497770790 /nfs/dbraw/zinc/77/07/90/497770790.db2.gz TYTOREROTFVGNE-RHSMWYFYSA-N 0 3 351.410 3.326 20 30 FGEDHN C[C@H]1C[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000268516948 497770866 /nfs/dbraw/zinc/77/08/66/497770866.db2.gz TYTOREROTFVGNE-WMLDXEAASA-N 0 3 351.410 3.326 20 30 FGEDHN C=C(C)COCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246630528 497791487 /nfs/dbraw/zinc/79/14/87/497791487.db2.gz XEGBNJFTPDYVOO-DOTOQJQBSA-N 0 3 351.516 3.023 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000280604018 497822980 /nfs/dbraw/zinc/82/29/80/497822980.db2.gz GDJHDGXWXCIXAC-FCHUYYIVSA-N 0 3 373.456 3.213 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000284617033 497844389 /nfs/dbraw/zinc/84/43/89/497844389.db2.gz MQEMKHRNPVUVPI-LJQANCHMSA-N 0 3 352.438 3.300 20 30 FGEDHN CC[C@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1cccc(C)c1 ZINC000299595313 497862225 /nfs/dbraw/zinc/86/22/25/497862225.db2.gz MZKGJTPHYKGALY-AWEZNQCLSA-O 0 3 371.482 3.338 20 30 FGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000329707481 497875698 /nfs/dbraw/zinc/87/56/98/497875698.db2.gz LOWGDCCTUIXISP-SJLPKXTDSA-N 0 3 364.534 3.384 20 30 FGEDHN CN(Cc1ccccc1N1CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280774712 497894246 /nfs/dbraw/zinc/89/42/46/497894246.db2.gz JTNQDEGJKJNBMH-NRFANRHFSA-N 0 3 372.472 3.499 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)CN1Cc1ccccc1 ZINC000329772382 497896623 /nfs/dbraw/zinc/89/66/23/497896623.db2.gz KOLPVEMQAHHJTG-APWZRJJASA-N 0 3 367.497 3.166 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)CN1Cc1ccccc1 ZINC000329772382 497896628 /nfs/dbraw/zinc/89/66/28/497896628.db2.gz KOLPVEMQAHHJTG-APWZRJJASA-N 0 3 367.497 3.166 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000329776247 497897615 /nfs/dbraw/zinc/89/76/15/497897615.db2.gz NWKVMKGUHQIIKZ-SCTDSRPQSA-N 0 3 357.498 3.049 20 30 FGEDHN CC[C@H](NC(=O)Nc1cccc(N2CCN(CC)CC2)c1)C1CCOCC1 ZINC000329939257 497961147 /nfs/dbraw/zinc/96/11/47/497961147.db2.gz AWOIVWKWDNFZNL-FQEVSTJZSA-N 0 3 374.529 3.169 20 30 FGEDHN Cc1nc(CC2CC2)sc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000329937117 497961356 /nfs/dbraw/zinc/96/13/56/497961356.db2.gz RXURKHPPCTXMEP-UHFFFAOYSA-N 0 3 363.527 3.354 20 30 FGEDHN C[C@@H]1C(=O)CC[C@@H](C(=O)NCC2(N3CCCC3)CCOCC2)C1(C)C ZINC000329938856 497961489 /nfs/dbraw/zinc/96/14/89/497961489.db2.gz SSBSFMBYGMJLAK-CVEARBPZSA-N 0 3 350.503 3.229 20 30 FGEDHN CC[C@H](CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCc2ccccc2C1 ZINC000329951428 497966209 /nfs/dbraw/zinc/96/62/09/497966209.db2.gz COYQEUCZFCYWCR-MHTWAQMVSA-N 0 3 371.525 3.285 20 30 FGEDHN O=C(CCN1C(=O)CSc2ccccc21)NC[C@H]1CCCCN1C1CC1 ZINC000329953331 497967347 /nfs/dbraw/zinc/96/73/47/497967347.db2.gz NDLFGQZOWCJRBV-MRXNPFEDSA-N 0 3 373.522 3.489 20 30 FGEDHN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H](C)N2CCCCCC2)on1 ZINC000329989231 497982703 /nfs/dbraw/zinc/98/27/03/497982703.db2.gz VANFJDAUGQHTDG-ULQDDVLXSA-N 0 3 366.481 3.116 20 30 FGEDHN Cc1nc(CC2CC2)oc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000330005128 497988045 /nfs/dbraw/zinc/98/80/45/497988045.db2.gz BPVVFWJGNOUPOS-UHFFFAOYSA-N 0 3 361.486 3.275 20 30 FGEDHN CC(C(=O)N[C@@H]1CCSc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000330035116 497998545 /nfs/dbraw/zinc/99/85/45/497998545.db2.gz BNNHFGWAUPJDLO-IUODEOHRSA-N 0 3 369.508 3.162 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000581339247 505964361 /nfs/dbraw/zinc/96/43/61/505964361.db2.gz OLUSWIRHISGUCY-SCWSEQNSSA-N 0 3 369.509 3.113 20 30 FGEDHN C[C@]1(c2cccc(C(=O)NC3CC([NH+]4CCCCC4)C3)c2)NC(=O)[N-]C1=O ZINC000330113279 498026587 /nfs/dbraw/zinc/02/65/87/498026587.db2.gz SBCIPJHDTZSGFR-ALLBUHFWSA-N 0 3 370.453 3.107 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000296400482 498028832 /nfs/dbraw/zinc/02/88/32/498028832.db2.gz IUGZJAYWLPKPSK-QGZVKYPTSA-N 0 3 354.498 3.421 20 30 FGEDHN CSc1c(C(=O)NCC2(N3CCSCC3)CCCCC2)cnn1C ZINC000330118716 498029062 /nfs/dbraw/zinc/02/90/62/498029062.db2.gz YWWXQHMNFVGJCF-UHFFFAOYSA-N 0 3 368.572 3.198 20 30 FGEDHN Cc1nn(C)c(C)c1[C@@H](NC(=O)C1CCN(C2CC2)CC1)C(F)(F)F ZINC000330135808 498035709 /nfs/dbraw/zinc/03/57/09/498035709.db2.gz MZMDMJSUTBEMNE-OAHLLOKOSA-N 0 3 358.408 3.471 20 30 FGEDHN O=C(CCN1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000330138754 498036183 /nfs/dbraw/zinc/03/61/83/498036183.db2.gz VTCIKLKJTLAQEV-LBPRGKRZSA-N 0 3 371.224 3.048 20 30 FGEDHN C[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1nc(C2CCCCC2)no1 ZINC000330196755 498058539 /nfs/dbraw/zinc/05/85/39/498058539.db2.gz QUXCXSFFJALYAU-IFXJQAMLSA-N 0 3 361.490 3.120 20 30 FGEDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330250536 498079001 /nfs/dbraw/zinc/07/90/01/498079001.db2.gz GYIAMUJLQWRZJJ-IYTALQFBSA-N 0 3 363.502 3.371 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000296606250 498118330 /nfs/dbraw/zinc/11/83/30/498118330.db2.gz DVVXHXNRYCCUCR-HZPDHXFCSA-N 0 3 356.470 3.316 20 30 FGEDHN CCN1CCC[C@@H](NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C1 ZINC000330411748 498128238 /nfs/dbraw/zinc/12/82/38/498128238.db2.gz SBEVSABPTRIMAX-CYBMUJFWSA-N 0 3 352.866 3.236 20 30 FGEDHN CN(C)C[C@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(Cl)cc1 ZINC000330454605 498135777 /nfs/dbraw/zinc/13/57/77/498135777.db2.gz WJMQCGFYHMHZMF-HOTGVXAUSA-N 0 3 353.894 3.404 20 30 FGEDHN CC(C)(CNCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 ZINC000581425147 505986371 /nfs/dbraw/zinc/98/63/71/505986371.db2.gz ZCOCRLUEAOTFNN-UHFFFAOYSA-N 0 3 360.454 3.038 20 30 FGEDHN CCN1CCN([C@@H](C)CNc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301529662 498149271 /nfs/dbraw/zinc/14/92/71/498149271.db2.gz OUYISVKJPUEBBG-KRWDZBQOSA-N 0 3 351.498 3.161 20 30 FGEDHN CCOC(=O)c1cc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c(F)cc1C ZINC000330577523 498154950 /nfs/dbraw/zinc/15/49/50/498154950.db2.gz RULRIIRPBWCCFC-ZIAGYGMSSA-N 0 3 365.449 3.271 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000281473462 498163368 /nfs/dbraw/zinc/16/33/68/498163368.db2.gz HMGHNLZTYBQQFR-PZJWPPBQSA-N 0 3 371.525 3.274 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301595024 498179760 /nfs/dbraw/zinc/17/97/60/498179760.db2.gz YTOZPNGRPPYXLF-IYBDPMFKSA-N 0 3 372.469 3.182 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000581457839 505992873 /nfs/dbraw/zinc/99/28/73/505992873.db2.gz OOJFCGGETNPHIZ-SNRMKQJTSA-N 0 3 363.933 3.488 20 30 FGEDHN O[C@H](CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)F ZINC000572538409 505993417 /nfs/dbraw/zinc/99/34/17/505993417.db2.gz IABQIQPYBXOIDL-MWLCHTKSSA-N 0 3 367.236 3.274 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000330877911 498209764 /nfs/dbraw/zinc/20/97/64/498209764.db2.gz GVFBUIMGOICSTE-GFCCVEGCSA-N 0 3 366.412 3.367 20 30 FGEDHN COc1cc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1OC(C)C ZINC000331006774 498235967 /nfs/dbraw/zinc/23/59/67/498235967.db2.gz SQTIFTLDMDKMCI-WMLDXEAASA-N 0 3 367.515 3.005 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301823031 498279932 /nfs/dbraw/zinc/27/99/32/498279932.db2.gz HNGBILVSFHHYPW-SFHVURJKSA-N 0 3 350.466 3.188 20 30 FGEDHN Cn1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)c(C(F)(F)F)n1 ZINC000286111972 498295331 /nfs/dbraw/zinc/29/53/31/498295331.db2.gz NDUGLDWAXLDCNX-UHFFFAOYSA-N 0 3 363.387 3.069 20 30 FGEDHN CCN1CC[C@H](NCc2cc(C#N)n(C)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000365129844 498312030 /nfs/dbraw/zinc/31/20/30/498312030.db2.gz DNYDPPPKUHQCFZ-HKUYNNGSSA-N 0 3 362.399 3.239 20 30 FGEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)CCC1 ZINC000365159155 498328202 /nfs/dbraw/zinc/32/82/02/498328202.db2.gz XMGGHIQQDNLQNR-PKOBYXMFSA-N 0 3 358.530 3.398 20 30 FGEDHN Cc1nc([C@H]2CCCN2CCC(=O)N(C)CCC#N)[nH]c1-c1ccccc1 ZINC000361089578 498344121 /nfs/dbraw/zinc/34/41/21/498344121.db2.gz UWYZEBBHLRQOJB-GOSISDBHSA-N 0 3 365.481 3.284 20 30 FGEDHN CCOc1ccc(CN2CCN(CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000282025827 498363063 /nfs/dbraw/zinc/36/30/63/498363063.db2.gz POLDYILKYFGEFZ-UHFFFAOYSA-N 0 3 371.525 3.303 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC1CCOCC1 ZINC000282026068 498363371 /nfs/dbraw/zinc/36/33/71/498363371.db2.gz WXKZHIFWAGZVNI-UHFFFAOYSA-N 0 3 357.498 3.045 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](n3cnc4ccccc43)C2)CC1 ZINC000361290037 498371540 /nfs/dbraw/zinc/37/15/40/498371540.db2.gz YQNWENSBKLGUIM-SFHVURJKSA-N 0 3 367.497 3.033 20 30 FGEDHN N#CC1(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCOCC1 ZINC000282112505 498388321 /nfs/dbraw/zinc/38/83/21/498388321.db2.gz XBPIVAKXVQAEPQ-UHFFFAOYSA-N 0 3 368.481 3.067 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000575949061 506039679 /nfs/dbraw/zinc/03/96/79/506039679.db2.gz QUCBVEIJCHXGJS-FIKGOQFSSA-N 0 3 363.461 3.105 20 30 FGEDHN Cc1nsc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)c1C#N ZINC000297509999 498475753 /nfs/dbraw/zinc/47/57/53/498475753.db2.gz VTXGDEWKHKCJHJ-UHFFFAOYSA-N 0 3 361.446 3.058 20 30 FGEDHN N#Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)c([N+](=O)[O-])c1 ZINC000569931573 506050512 /nfs/dbraw/zinc/05/05/12/506050512.db2.gz DFQGCSNUPMTMRH-UHFFFAOYSA-N 0 3 365.437 3.379 20 30 FGEDHN COc1ccc([C@@H](CNc2nc(Cl)c(C#N)s2)N(C)C)cc1OC ZINC000286746674 498496496 /nfs/dbraw/zinc/49/64/96/498496496.db2.gz FJLGPSUZBDXQPV-LLVKDONJSA-N 0 3 366.874 3.400 20 30 FGEDHN CCN1C[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331998802 498528574 /nfs/dbraw/zinc/52/85/74/498528574.db2.gz VSXUIVPWFXJBPK-GJZGRUSLSA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@H]1[C@H](N2CCCC2)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000286893730 498544057 /nfs/dbraw/zinc/54/40/57/498544057.db2.gz LGYHKOMNNLBLON-FXAWDEMLSA-N 0 3 364.493 3.296 20 30 FGEDHN COC[C@H](C)OC[C@@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000365713957 498610633 /nfs/dbraw/zinc/61/06/33/498610633.db2.gz UNYGHYHZMGDLJG-HOIFWPIMSA-N 0 3 368.477 3.288 20 30 FGEDHN CN(C)C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000282799544 498660188 /nfs/dbraw/zinc/66/01/88/498660188.db2.gz GXKOPIBENTVIAM-IBGZPJMESA-N 0 3 371.868 3.204 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2)CC1 ZINC000332396916 498675387 /nfs/dbraw/zinc/67/53/87/498675387.db2.gz QAMCMUYUQHQJJM-FQEVSTJZSA-N 0 3 368.525 3.371 20 30 FGEDHN C[C@H]1C[C@H]1N1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@@H](C)C1 ZINC000570101831 506091432 /nfs/dbraw/zinc/09/14/32/506091432.db2.gz BNJFRFUNGVFKMH-YZVOILCLSA-N 0 3 357.473 3.164 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[C@@H](C)C1 ZINC000298596929 498824424 /nfs/dbraw/zinc/82/44/24/498824424.db2.gz SDLPGHJJSRWOGJ-GJZGRUSLSA-N 0 3 374.554 3.099 20 30 FGEDHN C[C@@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000328612444 498874490 /nfs/dbraw/zinc/87/44/90/498874490.db2.gz PKNOZIZGLINILQ-QGZVFWFLSA-N 0 3 351.535 3.351 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000287888158 498893020 /nfs/dbraw/zinc/89/30/20/498893020.db2.gz YFXKGDVDUIJYLP-HNNXBMFYSA-N 0 3 361.486 3.023 20 30 FGEDHN C#CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000298892256 498909722 /nfs/dbraw/zinc/90/97/22/498909722.db2.gz LKDCWUYKMCGXMP-KRWDZBQOSA-N 0 3 367.405 3.286 20 30 FGEDHN N#C[C@@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC12CCCC2 ZINC000333150165 498916316 /nfs/dbraw/zinc/91/63/16/498916316.db2.gz AQMUFPISBGTHNI-HXUWFJFHSA-N 0 3 361.555 3.328 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000283657068 498948741 /nfs/dbraw/zinc/94/87/41/498948741.db2.gz CZKGWAAORYDDQX-UHFFFAOYSA-N 0 3 350.394 3.204 20 30 FGEDHN CS[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H]1N(C)C ZINC000579214686 506121119 /nfs/dbraw/zinc/12/11/19/506121119.db2.gz SRRPQJXIRZAHFY-UONOGXRCSA-N 0 3 364.877 3.381 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291529284 498979147 /nfs/dbraw/zinc/97/91/47/498979147.db2.gz NFZVUUKOTXWLNF-MAUKXSAKSA-N 0 3 350.374 3.200 20 30 FGEDHN C#CCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366571949 498983289 /nfs/dbraw/zinc/98/32/89/498983289.db2.gz NNYHLSKNCYZIPA-LJQANCHMSA-N 0 3 365.481 3.173 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1C(F)(F)F ZINC000291590739 499004061 /nfs/dbraw/zinc/00/40/61/499004061.db2.gz XKEOAXGFTNRONT-UHFFFAOYSA-N 0 3 365.355 3.374 20 30 FGEDHN CC(C)(CNCc1cccc(OCc2cccc(C#N)c2)c1)OCCO ZINC000288385720 499012225 /nfs/dbraw/zinc/01/22/25/499012225.db2.gz GMZSKKWKHSURSE-UHFFFAOYSA-N 0 3 354.450 3.014 20 30 FGEDHN CN1CCC2(CCCN2C(=O)Nc2cc3c(cc2Cl)OCCO3)CC1 ZINC000329064431 499030456 /nfs/dbraw/zinc/03/04/56/499030456.db2.gz KNGBZORHLXPXDB-UHFFFAOYSA-N 0 3 365.861 3.217 20 30 FGEDHN Cc1ccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)[NH+]2CCCC2)cc1 ZINC000299387963 499044418 /nfs/dbraw/zinc/04/44/18/499044418.db2.gz BSBVBXJJPIMISW-CNSRZQHFSA-N 0 3 353.466 3.152 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000329120678 499047861 /nfs/dbraw/zinc/04/78/61/499047861.db2.gz KGLUERLLLXONLE-AJYBTWMASA-N 0 3 351.535 3.180 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000329142096 499054594 /nfs/dbraw/zinc/05/45/94/499054594.db2.gz KXBWMPLITHGFAW-UHFFFAOYSA-N 0 3 365.547 3.115 20 30 FGEDHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000364024436 499089546 /nfs/dbraw/zinc/08/95/46/499089546.db2.gz XUGVXVCXOJWAKG-MJGOQNOKSA-N 0 3 355.388 3.184 20 30 FGEDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N1CCCC12CCCCC2 ZINC000329292920 499092466 /nfs/dbraw/zinc/09/24/66/499092466.db2.gz JAWLQUCPHNNRNU-HXUWFJFHSA-N 0 3 371.525 3.466 20 30 FGEDHN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329321001 499099181 /nfs/dbraw/zinc/09/91/81/499099181.db2.gz JAMCXYQAJHLDPF-QRWLVFNGSA-N 0 3 355.482 3.129 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)[C@@H]2C1 ZINC000329458983 499124318 /nfs/dbraw/zinc/12/43/18/499124318.db2.gz RLKQGBBPZRWLAR-LAUBAEHRSA-N 0 3 360.461 3.468 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000329461411 499124896 /nfs/dbraw/zinc/12/48/96/499124896.db2.gz SRGLEWZSFDZYJA-CYBMUJFWSA-N 0 3 366.531 3.245 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000329530662 499129386 /nfs/dbraw/zinc/12/93/86/499129386.db2.gz VUKWYCUWULSCER-VBQJREDUSA-N 0 3 371.460 3.228 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(CO)(Nc3ccccc3)CC2)c1 ZINC000372582648 499149208 /nfs/dbraw/zinc/14/92/08/499149208.db2.gz HZLNYPDOUFLQNC-UHFFFAOYSA-N 0 3 365.477 3.266 20 30 FGEDHN COc1cccc(C2=CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)c1 ZINC000370033975 499169278 /nfs/dbraw/zinc/16/92/78/499169278.db2.gz VNRLCRGXBWQXQO-FQEVSTJZSA-N 0 3 357.413 3.175 20 30 FGEDHN C[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367804985 499234884 /nfs/dbraw/zinc/23/48/84/499234884.db2.gz VULMDGJICKXVBH-QRWLVFNGSA-N 0 3 354.475 3.453 20 30 FGEDHN N#CC1CCC(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000368523115 499304517 /nfs/dbraw/zinc/30/45/17/499304517.db2.gz SOSQMVGPUZNEBW-TVPLGVNVSA-N 0 3 357.473 3.484 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c(C#N)c1C ZINC000368591293 499311085 /nfs/dbraw/zinc/31/10/85/499311085.db2.gz GSLFVJPJDAVUNS-KYNGSXCRSA-N 0 3 366.465 3.130 20 30 FGEDHN Cc1nc(C)n(C[C@H]2CCCCN2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000371385930 499318996 /nfs/dbraw/zinc/31/89/96/499318996.db2.gz ZRVSFGPSRKWGPI-OAQYLSRUSA-N 0 3 366.513 3.300 20 30 FGEDHN C=CC[C@H](C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000368739430 499327027 /nfs/dbraw/zinc/32/70/27/499327027.db2.gz IBNJHUCKPSGLNP-NRFANRHFSA-N 0 3 369.553 3.222 20 30 FGEDHN C=CCNC(=O)c1ccc(NC2CCN(Cc3cccs3)CC2)nc1 ZINC000369239528 499381724 /nfs/dbraw/zinc/38/17/24/499381724.db2.gz AGSJVFHSBPYYHA-UHFFFAOYSA-N 0 3 356.495 3.135 20 30 FGEDHN CCCN1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000369328156 499391541 /nfs/dbraw/zinc/39/15/41/499391541.db2.gz BEWWBJIIFZFAKQ-LJQANCHMSA-N 0 3 356.514 3.048 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@H]3CCC[C@H]31)CCC2 ZINC000369458979 499405143 /nfs/dbraw/zinc/40/51/43/499405143.db2.gz SSTSLRCFTMBJHZ-CVEARBPZSA-N 0 3 359.495 3.080 20 30 FGEDHN CN1CC[C@H](CNC(=O)/C=C/c2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000369568820 499419611 /nfs/dbraw/zinc/41/96/11/499419611.db2.gz MLAOXUXJEIKEMQ-TVYZCSMLSA-N 0 3 351.475 3.442 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3ccccc3C)C2)CC1 ZINC000369742581 499439868 /nfs/dbraw/zinc/43/98/68/499439868.db2.gz RWLUQBUCYBDQQO-FQEVSTJZSA-N 0 3 357.498 3.118 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@@H]2C1 ZINC000373060928 499449411 /nfs/dbraw/zinc/44/94/11/499449411.db2.gz WPNMNLGNOCFLHH-OXQOHEQNSA-N 0 3 350.466 3.111 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2NCc2cccnc2OCC(F)(F)F)O1 ZINC000373225717 499458687 /nfs/dbraw/zinc/45/86/87/499458687.db2.gz CMDIZZKKDFQRIV-WCVJEAGWSA-N 0 3 369.387 3.352 20 30 FGEDHN C=C[C@@H](CC(=O)N1CCC(N2CCN(CCC)CC2)CC1)c1ccccc1 ZINC000378276094 499497080 /nfs/dbraw/zinc/49/70/80/499497080.db2.gz WENDAUDZLPVSLO-FQEVSTJZSA-N 0 3 369.553 3.365 20 30 FGEDHN C=C[C@H](CC(=O)N1CCC(N2CCN(CCC)CC2)CC1)c1ccccc1 ZINC000378276096 499497198 /nfs/dbraw/zinc/49/71/98/499497198.db2.gz WENDAUDZLPVSLO-HXUWFJFHSA-N 0 3 369.553 3.365 20 30 FGEDHN N#Cc1ccc(OCCN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000378406182 499513175 /nfs/dbraw/zinc/51/31/75/499513175.db2.gz FKAUKDGUZGNVQO-HXUWFJFHSA-N 0 3 367.493 3.052 20 30 FGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000375452079 499520807 /nfs/dbraw/zinc/52/08/07/499520807.db2.gz DBURWMVIPVPMAS-AJYBTWMASA-N 0 3 361.530 3.123 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000375473129 499523667 /nfs/dbraw/zinc/52/36/67/499523667.db2.gz VLTSIOCZSPLGPR-JBPLPALLSA-N 0 3 367.493 3.069 20 30 FGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388441559 499550508 /nfs/dbraw/zinc/55/05/08/499550508.db2.gz DUUVJZFQANKNPS-NRFANRHFSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@@H](N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)cc1 ZINC000375781063 499555387 /nfs/dbraw/zinc/55/53/87/499555387.db2.gz TVRNMIBBSFPRLU-OXQOHEQNSA-N 0 3 357.461 3.406 20 30 FGEDHN C[C@H](N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)cc1 ZINC000375781061 499555399 /nfs/dbraw/zinc/55/53/99/499555399.db2.gz TVRNMIBBSFPRLU-JXFKEZNVSA-N 0 3 357.461 3.406 20 30 FGEDHN C=CCC[C@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccccc1 ZINC000376036647 499577949 /nfs/dbraw/zinc/57/79/49/499577949.db2.gz YURBNPMWBWXLDC-IBGZPJMESA-N 0 3 367.497 3.401 20 30 FGEDHN C=CCN(C(=O)N[C@@H]1CCC[C@@H]1CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376233048 499593085 /nfs/dbraw/zinc/59/30/85/499593085.db2.gz RLHLUNHISRVRMS-NJDAHSKKSA-N 0 3 371.525 3.010 20 30 FGEDHN CC[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)C[C@]2(CCCOC2)O1 ZINC000376439147 499608745 /nfs/dbraw/zinc/60/87/45/499608745.db2.gz AXTKKFJJWDQANE-RTWAWAEBSA-N 0 3 357.498 3.196 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000573249666 506153437 /nfs/dbraw/zinc/15/34/37/506153437.db2.gz UEHKPROJCBDXQM-HUUCEWRRSA-N 0 3 370.287 3.368 20 30 FGEDHN C=CCN1CC[C@H](N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)C1=O ZINC000410329713 499655303 /nfs/dbraw/zinc/65/53/03/499655303.db2.gz JTEWYMXASXONCG-FQEVSTJZSA-N 0 3 353.466 3.143 20 30 FGEDHN C=CCN(Cc1cnc([C@@H](C)O)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377550591 499703658 /nfs/dbraw/zinc/70/36/58/499703658.db2.gz PTJFQAVXGXFILA-AEFFLSMTSA-N 0 3 357.523 3.459 20 30 FGEDHN COC(=O)[C@@H](C)[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411393105 499733656 /nfs/dbraw/zinc/73/36/56/499733656.db2.gz QRGVJKAAOSBFGP-MGPUTAFESA-N 0 3 365.433 3.027 20 30 FGEDHN COc1cc([C@H](C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)ccn1 ZINC000411742415 499785264 /nfs/dbraw/zinc/78/52/64/499785264.db2.gz QVGQJNCEMSIWAW-LBPRGKRZSA-N 0 3 358.829 3.295 20 30 FGEDHN COc1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)cc1OCCCC#N ZINC000414535799 499804864 /nfs/dbraw/zinc/80/48/64/499804864.db2.gz MFWHGRCBYZDQBP-PBHICJAKSA-N 0 3 354.397 3.016 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2C[C@H](O)C[C@@H]2c2ccccc2)cc1Cl ZINC000411948957 499805945 /nfs/dbraw/zinc/80/59/45/499805945.db2.gz QCPKMEIHNLNHDD-IEBWSBKVSA-N 0 3 369.852 3.348 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000412333481 499845803 /nfs/dbraw/zinc/84/58/03/499845803.db2.gz FANFVYLPZIZXBC-PWRODBHTSA-N 0 3 363.461 3.089 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(F)c1 ZINC000412555595 499862798 /nfs/dbraw/zinc/86/27/98/499862798.db2.gz CBZIPNIFOOQGOT-IBGZPJMESA-N 0 3 363.433 3.087 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415167037 499872410 /nfs/dbraw/zinc/87/24/10/499872410.db2.gz SACNDBLPMPYZEO-FZMZJTMJSA-N 0 3 354.426 3.057 20 30 FGEDHN CN1CCC[C@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000570418794 506163683 /nfs/dbraw/zinc/16/36/83/506163683.db2.gz STVZCKWEVZMOFO-VQTJNVASSA-N 0 3 360.461 3.224 20 30 FGEDHN COc1cccc([C@@H]2C[C@H]2CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000412884769 499893453 /nfs/dbraw/zinc/89/34/53/499893453.db2.gz RFERZRRYVKBWOV-DYXWJJEUSA-N 0 3 359.429 3.169 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)C1CCC(O)CC1)C(C)C ZINC000416162469 499964846 /nfs/dbraw/zinc/96/48/46/499964846.db2.gz VGNVWEIDTHOXDP-CTWPCTMYSA-N 0 3 350.547 3.379 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000413609662 500002282 /nfs/dbraw/zinc/00/22/82/500002282.db2.gz BXMGLNFHCUPGGM-NHCUHLMSSA-N 0 3 368.525 3.458 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2c(F)cccc2Cl)cc1F ZINC000421361537 500026383 /nfs/dbraw/zinc/02/63/83/500026383.db2.gz HDWDIKBCMLRVSJ-CYBMUJFWSA-N 0 3 350.796 3.431 20 30 FGEDHN N#CCCN(C(=O)CN[C@H]1Cc2cccc(O)c2C1)c1cccc(Cl)c1 ZINC000429310449 500049598 /nfs/dbraw/zinc/04/95/98/500049598.db2.gz XDYXGSVYJIXVAT-INIZCTEOSA-N 0 3 369.852 3.049 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429371005 500062666 /nfs/dbraw/zinc/06/26/66/500062666.db2.gz HAFYMSHLZUMYKQ-NHYWBVRUSA-N 0 3 351.288 3.353 20 30 FGEDHN C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N1CCCC[C@H]1C ZINC000416678223 500083574 /nfs/dbraw/zinc/08/35/74/500083574.db2.gz GGPCTPSGFZMGJL-GQIGUUNPSA-N 0 3 354.498 3.498 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000421704908 500122826 /nfs/dbraw/zinc/12/28/26/500122826.db2.gz QBTZEEGYDWTOCW-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429727539 500133366 /nfs/dbraw/zinc/13/33/66/500133366.db2.gz BZRGRCJOLYOBHL-AWEZNQCLSA-N 0 3 359.430 3.146 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000425569372 500149063 /nfs/dbraw/zinc/14/90/63/500149063.db2.gz YXTBRJYCXMKQAV-ACRUOGEOSA-N 0 3 371.525 3.131 20 30 FGEDHN N#Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)cc1F ZINC000421815424 500157533 /nfs/dbraw/zinc/15/75/33/500157533.db2.gz UPOVHIYYSGSOPS-UHFFFAOYSA-N 0 3 366.440 3.135 20 30 FGEDHN CN1C[C@@H]2CCCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@@H]2C1 ZINC000425659253 500173334 /nfs/dbraw/zinc/17/33/34/500173334.db2.gz VRXLWADVURUWRL-GHTZIAJQSA-N 0 3 360.461 3.039 20 30 FGEDHN C=CCOc1cccc(CN2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)c1 ZINC000430095494 500191202 /nfs/dbraw/zinc/19/12/02/500191202.db2.gz BLRDGTSJXUWGGJ-UXHICEINSA-N 0 3 359.466 3.042 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)s2)N(C)C)cc1 ZINC000422136153 500218398 /nfs/dbraw/zinc/21/83/98/500218398.db2.gz HPJMECUJESRUAP-GOSISDBHSA-N 0 3 356.495 3.284 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)s1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000422214352 500235357 /nfs/dbraw/zinc/23/53/57/500235357.db2.gz GYVBYECPJCUKNJ-KRWDZBQOSA-N 0 3 368.506 3.426 20 30 FGEDHN COC(=O)COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418145244 500236928 /nfs/dbraw/zinc/23/69/28/500236928.db2.gz MSPDRRMBMBPVBK-HXUWFJFHSA-N 0 3 350.418 3.277 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426154936 500242087 /nfs/dbraw/zinc/24/20/87/500242087.db2.gz XPPRFTHXFBPQAE-UHFFFAOYSA-N 0 3 364.877 3.223 20 30 FGEDHN C=C(C)COc1cc(CN2CCN(C3CCOCC3)C[C@H]2C)ccc1OC ZINC000426563923 500289529 /nfs/dbraw/zinc/28/95/29/500289529.db2.gz ZFPUNQXNJHHTST-GOSISDBHSA-N 0 3 374.525 3.335 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418555660 500291011 /nfs/dbraw/zinc/29/10/11/500291011.db2.gz PRZWHYFGEGBUOF-UHFFFAOYSA-N 0 3 366.421 3.096 20 30 FGEDHN N#Cc1ccc(NCCCOC2CCN(Cc3ccccc3)CC2)cn1 ZINC000426895214 500333953 /nfs/dbraw/zinc/33/39/53/500333953.db2.gz GRUAPEFZCHLESK-UHFFFAOYSA-N 0 3 350.466 3.436 20 30 FGEDHN Cc1ncccc1OC[C@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000419403948 500362658 /nfs/dbraw/zinc/36/26/58/500362658.db2.gz SEVNQGVSWZKZNJ-MRXNPFEDSA-N 0 3 370.478 3.195 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)NCC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000419628606 500386323 /nfs/dbraw/zinc/38/63/23/500386323.db2.gz PYYQBAHVZYBPAD-PKOBYXMFSA-N 0 3 354.498 3.375 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000431616889 500398586 /nfs/dbraw/zinc/39/85/86/500398586.db2.gz KAOWXAHHBZUIGC-HXUWFJFHSA-N 0 3 371.506 3.462 20 30 FGEDHN Cc1sc(CNC(=O)[C@H](N)CCCC#N)nc1-c1ccc(Cl)cc1 ZINC000424090898 500451159 /nfs/dbraw/zinc/45/11/59/500451159.db2.gz CIGHNXLGICSQIX-CQSZACIVSA-N 0 3 362.886 3.409 20 30 FGEDHN COCCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000424092946 500451594 /nfs/dbraw/zinc/45/15/94/500451594.db2.gz IHQPKFXUHWJYGD-XJKSGUPXSA-N 0 3 371.403 3.263 20 30 FGEDHN C=CCn1c(C)cc(C(=O)CN2C[C@@H](c3ccccc3F)[C@H](N)C2)c1C ZINC000420385495 500452795 /nfs/dbraw/zinc/45/27/95/500452795.db2.gz HFTAMGTYLDZSFK-AZUAARDMSA-N 0 3 355.457 3.039 20 30 FGEDHN COc1ccc(COCc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)cc1 ZINC000424106139 500453839 /nfs/dbraw/zinc/45/38/39/500453839.db2.gz LOYFBKHTZLJWFB-FQEVSTJZSA-N 0 3 367.449 3.372 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000424109723 500455097 /nfs/dbraw/zinc/45/50/97/500455097.db2.gz BCLDBILRGKZDJU-QGZVFWFLSA-N 0 3 357.458 3.054 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000424119801 500457383 /nfs/dbraw/zinc/45/73/83/500457383.db2.gz DEVLLBYYQYZVTM-LSDHHAIUSA-N 0 3 372.469 3.464 20 30 FGEDHN COc1ccc2c(c1)CN(C(=O)[C@H](N)CCCC#N)[C@H](c1ccccc1)C2 ZINC000424129403 500458031 /nfs/dbraw/zinc/45/80/31/500458031.db2.gz SURPJVLNPTZMCG-RTWAWAEBSA-N 0 3 363.461 3.342 20 30 FGEDHN N#CCC1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000432036201 500458771 /nfs/dbraw/zinc/45/87/71/500458771.db2.gz XFCQGRFRBHFCSL-UHFFFAOYSA-N 0 3 358.511 3.093 20 30 FGEDHN COc1ccccc1Oc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424148435 500459918 /nfs/dbraw/zinc/45/99/18/500459918.db2.gz ZZLBWGJTEUEOSD-KRWDZBQOSA-N 0 3 353.422 3.125 20 30 FGEDHN CC(C)Oc1cc(Br)cc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424159133 500461689 /nfs/dbraw/zinc/46/16/89/500461689.db2.gz UUVIRVZGJQSMMH-AWEZNQCLSA-N 0 3 354.248 3.196 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000424172115 500463324 /nfs/dbraw/zinc/46/33/24/500463324.db2.gz MYLFVHWKDASQGW-CWRNSKLLSA-N 0 3 353.388 3.479 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000424528404 500513570 /nfs/dbraw/zinc/51/35/70/500513570.db2.gz GLYNWDWPCGQBKK-AABGKKOBSA-N 0 3 356.510 3.385 20 30 FGEDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1cscc1C#N)c1ccccc1O2 ZINC000432709755 500551441 /nfs/dbraw/zinc/55/14/41/500551441.db2.gz QXANZPYTQVXERV-QGZVFWFLSA-N 0 3 367.474 3.338 20 30 FGEDHN CO[C@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1 ZINC000428784192 500557023 /nfs/dbraw/zinc/55/70/23/500557023.db2.gz OKSFLDJRVOSCFE-ZWKOTPCHSA-N 0 3 357.841 3.447 20 30 FGEDHN COC1([C@H](C)NCC#Cc2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000421038283 500562153 /nfs/dbraw/zinc/56/21/53/500562153.db2.gz SZNJTPRKNLZTEF-AWEZNQCLSA-N 0 3 357.372 3.110 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(n1)CCCC2 ZINC000442353716 500583144 /nfs/dbraw/zinc/58/31/44/500583144.db2.gz RSMVOSCESXEZTG-UHFFFAOYSA-N 0 3 362.477 3.036 20 30 FGEDHN N#CCCC[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000433012083 500606580 /nfs/dbraw/zinc/60/65/80/500606580.db2.gz RICKBQDCXBFPPV-ZCNNSNEGSA-N 0 3 355.482 3.181 20 30 FGEDHN N#CCCC[C@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccccc1 ZINC000433012068 500606669 /nfs/dbraw/zinc/60/66/69/500606669.db2.gz RFFKEFJWKMFOKB-IBGZPJMESA-N 0 3 364.449 3.037 20 30 FGEDHN COC(=O)c1cccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433035630 500610647 /nfs/dbraw/zinc/61/06/47/500610647.db2.gz NAGJGBOSYIKLHS-LJQANCHMSA-N 0 3 365.433 3.436 20 30 FGEDHN COc1ccccc1N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433112362 500628428 /nfs/dbraw/zinc/62/84/28/500628428.db2.gz AJJSEUDVUWFAKT-IBGZPJMESA-N 0 3 363.461 3.116 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433310302 500669339 /nfs/dbraw/zinc/66/93/39/500669339.db2.gz BFIOGXJNPSJFDH-PKOBYXMFSA-N 0 3 356.853 3.441 20 30 FGEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000433329528 500673568 /nfs/dbraw/zinc/67/35/68/500673568.db2.gz GNLFNUDZSZAWDC-HNNXBMFYSA-N 0 3 369.469 3.069 20 30 FGEDHN Cc1nc(N2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)sc1C ZINC000433366998 500682244 /nfs/dbraw/zinc/68/22/44/500682244.db2.gz STRYEUVPOPHHOX-SFHVURJKSA-N 0 3 368.506 3.181 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448258588 500741486 /nfs/dbraw/zinc/74/14/86/500741486.db2.gz XDZGCPONLCAVNS-SFHVURJKSA-N 0 3 374.485 3.413 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000448582566 500776731 /nfs/dbraw/zinc/77/67/31/500776731.db2.gz OSFHHKZLQARMDU-QGZVFWFLSA-N 0 3 356.495 3.459 20 30 FGEDHN C=CCOc1ccc(CC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000448602879 500782948 /nfs/dbraw/zinc/78/29/48/500782948.db2.gz CBOCULZMCAICMG-HXUWFJFHSA-N 0 3 352.478 3.083 20 30 FGEDHN O=C(CN1CCC[C@@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444190193 500815907 /nfs/dbraw/zinc/81/59/07/500815907.db2.gz XZPNMVSFOAEAJT-WMZOPIPTSA-N 0 3 364.411 3.438 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000448757678 500825587 /nfs/dbraw/zinc/82/55/87/500825587.db2.gz FUYGBFSWXCOXPE-HXUWFJFHSA-N 0 3 352.478 3.083 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434354007 500830779 /nfs/dbraw/zinc/83/07/79/500830779.db2.gz CFCJQMZUKFFIQW-IBGZPJMESA-N 0 3 372.469 3.309 20 30 FGEDHN C[C@H]1CCC[C@H](C)C1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000444597654 500864127 /nfs/dbraw/zinc/86/41/27/500864127.db2.gz NTTHCBHAVDWKMA-IRXDYDNUSA-N 0 3 356.514 3.456 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448924633 500871059 /nfs/dbraw/zinc/87/10/59/500871059.db2.gz YYTFXWKEFSDYGF-UHFFFAOYSA-N 0 3 362.271 3.091 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1cccc(C(F)(F)F)n1 ZINC000602579022 506222718 /nfs/dbraw/zinc/22/27/18/506222718.db2.gz QUHFFUACLJGFTR-ZDUSSCGKSA-N 0 3 357.376 3.168 20 30 FGEDHN CCC[C@@]1(CO)CCCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000444775036 500897715 /nfs/dbraw/zinc/89/77/15/500897715.db2.gz LOUSPMITHXEKLV-NRFANRHFSA-N 0 3 357.498 3.177 20 30 FGEDHN CC(C)N(CCOc1ccccc1C#N)C[C@H](O)COc1ccccc1 ZINC000444803305 500904263 /nfs/dbraw/zinc/90/42/63/500904263.db2.gz PMXBRJWNXQDQSF-IBGZPJMESA-N 0 3 354.450 3.087 20 30 FGEDHN CN(C)CCOc1cc(C(=O)Nc2ccccc2SCCC#N)ccn1 ZINC000611589093 506224452 /nfs/dbraw/zinc/22/44/52/506224452.db2.gz DUDJTURVCXFZNG-UHFFFAOYSA-N 0 3 370.478 3.280 20 30 FGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000439699822 500928859 /nfs/dbraw/zinc/92/88/59/500928859.db2.gz ZKWBSCGGEHIBLC-GOSISDBHSA-N 0 3 357.498 3.342 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000435731221 501019512 /nfs/dbraw/zinc/01/95/12/501019512.db2.gz KIEUXTYRXPKONH-OXJNMPFZSA-N 0 3 363.933 3.163 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000435740823 501021074 /nfs/dbraw/zinc/02/10/74/501021074.db2.gz FYZMOBCEBBAMSF-WBMJQRKESA-N 0 3 356.260 3.234 20 30 FGEDHN C=CCC[C@@H](NC(=O)N1CCC(OCCN(C)C)CC1)c1ccccc1 ZINC000435765682 501025248 /nfs/dbraw/zinc/02/52/48/501025248.db2.gz XMMYVNDSHXCMDY-HXUWFJFHSA-N 0 3 359.514 3.446 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(Oc2ccccn2)CC1 ZINC000440619032 501029680 /nfs/dbraw/zinc/02/96/80/501029680.db2.gz VYRFHZMYXTWPPF-IBGZPJMESA-N 0 3 368.477 3.093 20 30 FGEDHN N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H](N2CC=CC2)C1 ZINC000440681152 501038253 /nfs/dbraw/zinc/03/82/53/501038253.db2.gz ZPDIIARGWMFJGT-CQSZACIVSA-N 0 3 369.266 3.319 20 30 FGEDHN C=CCC[C@@H](CO)NCc1cn(-c2ccc(Br)cc2)nc1C ZINC000449695037 501064343 /nfs/dbraw/zinc/06/43/43/501064343.db2.gz DIOXWTVOGNIMPR-INIZCTEOSA-N 0 3 364.287 3.360 20 30 FGEDHN C=CCC[C@H](CO)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000449698608 501064945 /nfs/dbraw/zinc/06/49/45/501064945.db2.gz OEUDGJIJOLBRSG-LJQANCHMSA-N 0 3 354.450 3.364 20 30 FGEDHN C[C@@H]1Cc2cccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2O1 ZINC000449754214 501076679 /nfs/dbraw/zinc/07/66/79/501076679.db2.gz LEZGMKGMRATYAH-MRXNPFEDSA-N 0 3 363.461 3.086 20 30 FGEDHN N#Cc1cc(Br)ccc1CN1CCN(c2ccncc2)CC1 ZINC000588202271 506233299 /nfs/dbraw/zinc/23/32/99/506233299.db2.gz YHHGXHFHAFZHSM-UHFFFAOYSA-N 0 3 357.255 3.038 20 30 FGEDHN C=CCC1(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCCCC1 ZINC000449862904 501111229 /nfs/dbraw/zinc/11/12/29/501111229.db2.gz BGZZRTYVQFQTOV-UHFFFAOYSA-N 0 3 370.541 3.318 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H](C)CC2(C#N)CCOCC2)[C@H]1Oc1ccccc1 ZINC000602622462 506235259 /nfs/dbraw/zinc/23/52/59/506235259.db2.gz UQVQZFLKIJGZMZ-GSEOLPGOSA-N 0 3 358.482 3.300 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc4c(cccc4F)[nH]3)C2=O)cc1 ZINC000436408997 501122069 /nfs/dbraw/zinc/12/20/69/501122069.db2.gz HSJDXVQAHSBXMA-FQEVSTJZSA-N 0 3 362.408 3.464 20 30 FGEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(-n2cc(Cl)cn2)n1 ZINC000602629498 506238618 /nfs/dbraw/zinc/23/86/18/506238618.db2.gz KINBRRSDRSIZPR-HNNXBMFYSA-N 0 3 373.888 3.418 20 30 FGEDHN N#CC1CCC(N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000602636111 506239426 /nfs/dbraw/zinc/23/94/26/506239426.db2.gz GJMLVBFUDFTLNM-LDZOIKDWSA-N 0 3 362.271 3.226 20 30 FGEDHN COC1(CO)CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000447067993 501200323 /nfs/dbraw/zinc/20/03/23/501200323.db2.gz MZDBZLWQJRLVQU-UHFFFAOYSA-N 0 3 366.461 3.111 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)C1CC1 ZINC000450765340 501204616 /nfs/dbraw/zinc/20/46/16/501204616.db2.gz RRWAWOZVHXDKLQ-SIKLNZKXSA-N 0 3 351.494 3.487 20 30 FGEDHN CO[C@@H](Cc1ccccc1)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450212012 501211369 /nfs/dbraw/zinc/21/13/69/501211369.db2.gz BQHYEIHCUVWPES-QHCPKHFHSA-N 0 3 363.505 3.324 20 30 FGEDHN N#Cc1cnc(Nc2ccc(CCN3CCSCC3)cc2)c([N+](=O)[O-])c1 ZINC000450287417 501226411 /nfs/dbraw/zinc/22/64/11/501226411.db2.gz KJMFYCLIQJTJSN-UHFFFAOYSA-N 0 3 369.450 3.196 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451416081 501288321 /nfs/dbraw/zinc/28/83/21/501288321.db2.gz GASDQNSQGVGLIS-KANFNMMFSA-N 0 3 362.539 3.277 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451419122 501288929 /nfs/dbraw/zinc/28/89/29/501288929.db2.gz NEBWYLDBRHWNDN-UOAMXJAYSA-N 0 3 361.873 3.164 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453433159 501330622 /nfs/dbraw/zinc/33/06/22/501330622.db2.gz FYSRONFJNCRPSZ-MRXNPFEDSA-N 0 3 373.476 3.103 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H](C(C)C)[C@H](CO)C(C)C)c(C#N)c1C ZINC000451603666 501335346 /nfs/dbraw/zinc/33/53/46/501335346.db2.gz XNRZISBPPHRQGR-WBVHZDCISA-N 0 3 351.516 3.054 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453456987 501337294 /nfs/dbraw/zinc/33/72/94/501337294.db2.gz ZDEISIDAWHJRDN-MRXNPFEDSA-N 0 3 357.477 3.115 20 30 FGEDHN C=CCc1cc(CN[C@H](CO)Cc2ccc(C)c(C)c2)cc(OC)c1O ZINC000453625616 501365755 /nfs/dbraw/zinc/36/57/55/501365755.db2.gz KTIBVCNOWQTZOH-FQEVSTJZSA-N 0 3 355.478 3.439 20 30 FGEDHN CCN1CCN(CC(C)(C)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000451988060 501414177 /nfs/dbraw/zinc/41/41/77/501414177.db2.gz PBCPWNLERWPPSX-UHFFFAOYSA-N 0 3 367.459 3.063 20 30 FGEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC[C@H](C)C1 ZINC000452057360 501426272 /nfs/dbraw/zinc/42/62/72/501426272.db2.gz GFXASZUYEKWOQS-YESZJQIVSA-N 0 3 365.481 3.487 20 30 FGEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC000452057357 501426293 /nfs/dbraw/zinc/42/62/93/501426293.db2.gz GFXASZUYEKWOQS-IKGGRYGDSA-N 0 3 365.481 3.487 20 30 FGEDHN CS[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000456002093 501435879 /nfs/dbraw/zinc/43/58/79/501435879.db2.gz HEANVQHBOXBONE-RBUKOAKNSA-N 0 3 371.550 3.165 20 30 FGEDHN CC(C)(C#N)CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000611690213 506258161 /nfs/dbraw/zinc/25/81/61/506258161.db2.gz KLCOFOLCFHLIBE-KRWDZBQOSA-N 0 3 353.388 3.107 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000456427092 501523653 /nfs/dbraw/zinc/52/36/53/501523653.db2.gz KRAUTZBNGUGIBX-ZBFHGGJFSA-N 0 3 369.346 3.462 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459121982 501597630 /nfs/dbraw/zinc/59/76/30/501597630.db2.gz OCTBMBAZOLBOMP-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN CC(C)(CC#N)CNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000459233650 501617048 /nfs/dbraw/zinc/61/70/48/501617048.db2.gz IYUWCGVMACHYCW-OAQYLSRUSA-N 0 3 354.498 3.234 20 30 FGEDHN C=CCC1(CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCCC1 ZINC000454829490 501638715 /nfs/dbraw/zinc/63/87/15/501638715.db2.gz YKOPIZLJLYCUAX-FQEVSTJZSA-N 0 3 371.525 3.189 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596114311 506265314 /nfs/dbraw/zinc/26/53/14/506265314.db2.gz CPIVMLRLOZOCSV-UHFFFAOYSA-N 0 3 367.833 3.487 20 30 FGEDHN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1(CO)CCCC1 ZINC000459549186 501674422 /nfs/dbraw/zinc/67/44/22/501674422.db2.gz YTICRGMPJPVVKJ-SFHVURJKSA-N 0 3 363.889 3.317 20 30 FGEDHN Cc1nsc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1C#N ZINC000459598009 501684316 /nfs/dbraw/zinc/68/43/16/501684316.db2.gz YOGUOBLZMUINKN-OAHLLOKOSA-N 0 3 355.467 3.109 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000457518190 501714815 /nfs/dbraw/zinc/71/48/15/501714815.db2.gz QMHCBXPOBYIJHB-NEWSRXKRSA-N 0 3 362.539 3.448 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)CCCCCC#N)CC2)cc1 ZINC000588327697 506269449 /nfs/dbraw/zinc/26/94/49/506269449.db2.gz MYDQZFRZODHKPH-UHFFFAOYSA-N 0 3 357.498 3.497 20 30 FGEDHN CN(CCOc1ccc(Cl)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470754156 501791972 /nfs/dbraw/zinc/79/19/72/501791972.db2.gz HYJZVEKVQDSUDD-QGZVFWFLSA-N 0 3 367.836 3.431 20 30 FGEDHN COc1ccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1F ZINC000470753916 501792074 /nfs/dbraw/zinc/79/20/74/501792074.db2.gz DNZZOYZDHOFXHU-SUMWQHHRSA-N 0 3 351.381 3.266 20 30 FGEDHN C=CCOCCCN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000470767310 501796376 /nfs/dbraw/zinc/79/63/76/501796376.db2.gz UIIKQPBJQHQMTM-GFCCVEGCSA-N 0 3 356.260 3.464 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460379810 501809893 /nfs/dbraw/zinc/80/98/93/501809893.db2.gz JXHVJWSAHOSVAJ-QGZVFWFLSA-N 0 3 367.497 3.203 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470875910 501839606 /nfs/dbraw/zinc/83/96/06/501839606.db2.gz MBWFKRASDHYBAA-OAQYLSRUSA-N 0 3 354.413 3.327 20 30 FGEDHN COc1cccc(F)c1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470971456 501876982 /nfs/dbraw/zinc/87/69/82/501876982.db2.gz YSYBRBVTMKNIMS-CZUORRHYSA-N 0 3 351.381 3.266 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000470972882 501877643 /nfs/dbraw/zinc/87/76/43/501877643.db2.gz BBTBRHCJJOGNLT-YOEHRIQHSA-N 0 3 367.836 3.478 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000470983844 501883027 /nfs/dbraw/zinc/88/30/27/501883027.db2.gz PYGFPQGQWJJWJM-YOEHRIQHSA-N 0 3 367.836 3.478 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CCCCCC1 ZINC000460761507 501914573 /nfs/dbraw/zinc/91/45/73/501914573.db2.gz ZKOLGZSRBXUWMX-OALUTQOASA-N 0 3 351.535 3.265 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(F)c(F)c2F)cc1 ZINC000471083380 501914788 /nfs/dbraw/zinc/91/47/88/501914788.db2.gz RMIRKQIBEGTSEY-HNNXBMFYSA-N 0 3 357.335 3.017 20 30 FGEDHN CN1CC[C@H](NC(=O)N2CCc3c(CC#N)cccc3C2)[C@H]1c1ccccc1 ZINC000599021010 506282186 /nfs/dbraw/zinc/28/21/86/506282186.db2.gz RQHWDVMIAZYPAQ-FCHUYYIVSA-N 0 3 374.488 3.266 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460942734 501965377 /nfs/dbraw/zinc/96/53/77/501965377.db2.gz DCTBSDUBCNXSHW-IRXDYDNUSA-N 0 3 357.502 3.151 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000485928058 501989937 /nfs/dbraw/zinc/98/99/37/501989937.db2.gz CTACGYSXVMGBCT-NJDAHSKKSA-N 0 3 356.510 3.338 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccc1-n1cncn1 ZINC000464470359 501998972 /nfs/dbraw/zinc/99/89/72/501998972.db2.gz VMUDLCFVYFVWET-CQSZACIVSA-N 0 3 371.322 3.480 20 30 FGEDHN C=CCc1cc(CNC(=O)c2ccccc2CN(C)C)cc(OC)c1OC ZINC000486053458 502031887 /nfs/dbraw/zinc/03/18/87/502031887.db2.gz NJZFPVSMUDGADG-UHFFFAOYSA-N 0 3 368.477 3.424 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1CCN(C)C ZINC000482478211 502080913 /nfs/dbraw/zinc/08/09/13/502080913.db2.gz KTVZDAQADVLBTC-UHFFFAOYSA-N 0 3 371.481 3.486 20 30 FGEDHN C[C@@H]1CC[C@H](C)N(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000464821022 502105840 /nfs/dbraw/zinc/10/58/40/502105840.db2.gz GEZIFYXTZKONDR-CABCVRRESA-N 0 3 352.400 3.294 20 30 FGEDHN C=C(CNC(=O)NCc1cccc(OCCN(C)C)c1)c1ccccc1 ZINC000478867643 502107628 /nfs/dbraw/zinc/10/76/28/502107628.db2.gz FDLSHUXZCXKOBU-UHFFFAOYSA-N 0 3 353.466 3.140 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000461443202 502117275 /nfs/dbraw/zinc/11/72/75/502117275.db2.gz GRSBVHOFCKQTFS-LEWJYISDSA-N 0 3 359.473 3.461 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(-c3ccccc3)no2)cc1 ZINC000471747692 502126432 /nfs/dbraw/zinc/12/64/32/502126432.db2.gz LYTRTTJTLJULDD-GOSISDBHSA-N 0 3 356.385 3.212 20 30 FGEDHN C=CC[C@H]1N(C(=O)NCc2ccncc2OCCN(C)C)CCCC1(C)C ZINC000461528563 502136828 /nfs/dbraw/zinc/13/68/28/502136828.db2.gz JNQRDBBPTJVYEO-LJQANCHMSA-N 0 3 374.529 3.298 20 30 FGEDHN CN(C)C[C@@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588665903 506297632 /nfs/dbraw/zinc/29/76/32/506297632.db2.gz OTODRVHHAXJSGT-VQTJNVASSA-N 0 3 366.440 3.287 20 30 FGEDHN CCOc1cc(N2CCN(CC(C)(C)CCC#N)CC2)ccc1[N+](=O)[O-] ZINC000475491238 502188006 /nfs/dbraw/zinc/18/80/06/502188006.db2.gz FBKDJSOLZVDMSS-UHFFFAOYSA-N 0 3 360.458 3.445 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)s1)c1cccc(OC)c1 ZINC000486634653 502215381 /nfs/dbraw/zinc/21/53/81/502215381.db2.gz XWHGOJBATIPLGN-KRWDZBQOSA-N 0 3 357.479 3.441 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000588673693 506301806 /nfs/dbraw/zinc/30/18/06/506301806.db2.gz YCAFCEHOKOMTLX-GOSISDBHSA-N 0 3 374.847 3.453 20 30 FGEDHN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000461966695 502256180 /nfs/dbraw/zinc/25/61/80/502256180.db2.gz QINWLKTWYKPAJL-VQTJNVASSA-N 0 3 354.498 3.029 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(CC)nc3ccc(Cl)cn32)CC1 ZINC000462046615 502285458 /nfs/dbraw/zinc/28/54/58/502285458.db2.gz KPSPNSDHZZMQPL-UHFFFAOYSA-N 0 3 360.889 3.320 20 30 FGEDHN N#CC(C(=O)c1ccc(Cn2cccn2)cc1)c1cnc2ccccc2n1 ZINC000483208877 502314187 /nfs/dbraw/zinc/31/41/87/502314187.db2.gz ALBMUSQCSPCLON-QGZVFWFLSA-N 0 3 353.385 3.365 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000462403314 502423512 /nfs/dbraw/zinc/42/35/12/502423512.db2.gz QMSIDYLQPJJADP-MGPUTAFESA-N 0 3 351.450 3.089 20 30 FGEDHN C=CCN(CCOc1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213358 506314619 /nfs/dbraw/zinc/31/46/19/506314619.db2.gz DEILDOXIYHDTSH-INIZCTEOSA-N 0 3 367.428 3.429 20 30 FGEDHN C[C@@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000462536921 502479362 /nfs/dbraw/zinc/47/93/62/502479362.db2.gz GKKWVSPUFIOCOT-XLIONFOSSA-N 0 3 362.477 3.037 20 30 FGEDHN C[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cccc(C#N)c1 ZINC000462539417 502480275 /nfs/dbraw/zinc/48/02/75/502480275.db2.gz OFASGVPADUYDSV-NDXORKPFSA-N 0 3 362.477 3.208 20 30 FGEDHN CCN(CC)[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CC(C)C ZINC000476423894 502485239 /nfs/dbraw/zinc/48/52/39/502485239.db2.gz NABKFEBTSZYCKQ-QGZVFWFLSA-N 0 3 357.564 3.136 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC000466485014 502583647 /nfs/dbraw/zinc/58/36/47/502583647.db2.gz MWMTVLMEWXNIFS-UHFFFAOYSA-N 0 3 354.410 3.061 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1noc2c1CCCC2)C(C)C ZINC000480542296 502597221 /nfs/dbraw/zinc/59/72/21/502597221.db2.gz OOOQOOIUSDZTRS-SFHVURJKSA-N 0 3 360.502 3.051 20 30 FGEDHN COc1ccccc1[C@H](CNc1ccc(C#N)c(C)n1)N1CCCCC1 ZINC000488053794 502613558 /nfs/dbraw/zinc/61/35/58/502613558.db2.gz FEKOSLFKRDOYCN-IBGZPJMESA-N 0 3 350.466 3.331 20 30 FGEDHN CC(C)[C@@H](CNc1c(C#N)cnc2c(F)cc(F)cc21)N1CCN(C)CC1 ZINC000462920317 502626649 /nfs/dbraw/zinc/62/66/49/502626649.db2.gz XPVHVSBPIMFWCR-GOSISDBHSA-N 0 3 373.451 3.069 20 30 FGEDHN COc1cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1C#N ZINC000463026866 502665017 /nfs/dbraw/zinc/66/50/17/502665017.db2.gz CNCXJYLDUFTRQU-JOCHJYFZSA-N 0 3 350.462 3.384 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000588753724 506327248 /nfs/dbraw/zinc/32/72/48/506327248.db2.gz ZAHGBZSFAZLQKO-FPOVZHCZSA-N 0 3 372.513 3.412 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000480998240 502724167 /nfs/dbraw/zinc/72/41/67/502724167.db2.gz LHOMPKBOTDHNKD-BVGQSLNGSA-N 0 3 369.446 3.050 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC(C)(C)C2)cc1 ZINC000481003266 502724947 /nfs/dbraw/zinc/72/49/47/502724947.db2.gz CYSOFDIVOLHNKD-UKRRQHHQSA-N 0 3 363.483 3.463 20 30 FGEDHN CNC(=O)CC[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000513199562 502876149 /nfs/dbraw/zinc/87/61/49/502876149.db2.gz ANQMMSWGGGPDFT-MRXNPFEDSA-N 0 3 368.399 3.317 20 30 FGEDHN C=CCOc1ccc(CNCCc2nnnn2-c2ccccc2)cc1Cl ZINC000509429009 502899933 /nfs/dbraw/zinc/89/99/33/502899933.db2.gz IUFDAEMXTQCPAK-UHFFFAOYSA-N 0 3 369.856 3.213 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccco1 ZINC000509602197 502945587 /nfs/dbraw/zinc/94/55/87/502945587.db2.gz NDXPVOPUAVDFIW-MAUKXSAKSA-N 0 3 354.454 3.422 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)Nc3cc(F)cc(F)c3)CC2)nc1 ZINC000602908500 506345895 /nfs/dbraw/zinc/34/58/95/506345895.db2.gz TYFMZQTWLGOZRW-UHFFFAOYSA-N 0 3 370.403 3.440 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911155 506348279 /nfs/dbraw/zinc/34/82/79/506348279.db2.gz XQEMGQZRENWTJD-UHFFFAOYSA-N 0 3 362.433 3.092 20 30 FGEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000490048432 503098310 /nfs/dbraw/zinc/09/83/10/503098310.db2.gz VVBYRHJCKRUTLI-QUCCMNQESA-N 0 3 374.868 3.271 20 30 FGEDHN C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCC(C)CC1 ZINC000502185824 503158597 /nfs/dbraw/zinc/15/85/97/503158597.db2.gz WVLCPQQHFDZHHR-GOSISDBHSA-N 0 3 366.509 3.477 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000510635250 503160272 /nfs/dbraw/zinc/16/02/72/503160272.db2.gz XYQJOXUOZLNLHW-MRXNPFEDSA-N 0 3 364.367 3.449 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000498361326 503167485 /nfs/dbraw/zinc/16/74/85/503167485.db2.gz FNHQBGBIKQVEFJ-OAHLLOKOSA-N 0 3 351.472 3.393 20 30 FGEDHN C[C@H]1[C@H](NC(=O)NCc2cc(C#N)ccc2F)CCN1Cc1ccccc1 ZINC000498385362 503175064 /nfs/dbraw/zinc/17/50/64/503175064.db2.gz MQESOFCQSVUTBT-MGPUTAFESA-N 0 3 366.440 3.160 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)c1ccco1 ZINC000498406473 503180375 /nfs/dbraw/zinc/18/03/75/503180375.db2.gz BGGZWFMCQBIDSP-DYVFJYSZSA-N 0 3 358.417 3.219 20 30 FGEDHN C[C@H]1CCCN(CCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502328120 503180678 /nfs/dbraw/zinc/18/06/78/503180678.db2.gz PPPYTJOGPNEYJW-KRWDZBQOSA-N 0 3 352.482 3.089 20 30 FGEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)COc1ncccc1C(F)(F)F ZINC000502331773 503180963 /nfs/dbraw/zinc/18/09/63/503180963.db2.gz KNGSKQCKQDVBEY-UHFFFAOYSA-N 0 3 373.419 3.272 20 30 FGEDHN COc1ccc(NC(=O)CCN(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000515012899 503249924 /nfs/dbraw/zinc/24/99/24/503249924.db2.gz DSNSYCUBNFLDNU-UHFFFAOYSA-N 0 3 367.449 3.044 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)s1 ZINC000507211514 503251088 /nfs/dbraw/zinc/25/10/88/503251088.db2.gz MRWLMUOSAFBXRF-AGIUHOORSA-N 0 3 357.483 3.286 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1 ZINC000491070414 503269457 /nfs/dbraw/zinc/26/94/57/503269457.db2.gz SWVUEHXPGAUHOI-QGZVFWFLSA-N 0 3 357.498 3.267 20 30 FGEDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000507327863 503277960 /nfs/dbraw/zinc/27/79/60/503277960.db2.gz WBXICSGWJOLWRO-HXUWFJFHSA-N 0 3 353.466 3.053 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(C)c1)C(C)C ZINC000515268532 503304593 /nfs/dbraw/zinc/30/45/93/503304593.db2.gz WEBMDJLSFWGBKY-IBGZPJMESA-N 0 3 357.498 3.057 20 30 FGEDHN Cc1ccc(C#N)cc1S(=O)(=O)N(C)C(C)(C)CN1CCCCCC1 ZINC000492355911 503365682 /nfs/dbraw/zinc/36/56/82/503365682.db2.gz IPYPNJSKBSPLIA-UHFFFAOYSA-N 0 3 363.527 3.142 20 30 FGEDHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)CCCC1(C#N)CCOCC1 ZINC000503262754 503379994 /nfs/dbraw/zinc/37/99/94/503379994.db2.gz LYANLWQMPDEFEC-GOSISDBHSA-N 0 3 357.498 3.238 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccn(-c2ccccc2)n1)C(C)C ZINC000503433563 503408056 /nfs/dbraw/zinc/40/80/56/503408056.db2.gz BSBSZYNEGPCWBB-IBGZPJMESA-N 0 3 367.497 3.114 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCN1CCC ZINC000511914613 503415136 /nfs/dbraw/zinc/41/51/36/503415136.db2.gz APZYYTLKWAHRJU-SFHVURJKSA-N 0 3 360.458 3.167 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000508037297 503417495 /nfs/dbraw/zinc/41/74/95/503417495.db2.gz GEXNAROBZLBUFT-OAQYLSRUSA-N 0 3 369.509 3.296 20 30 FGEDHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503515855 503425698 /nfs/dbraw/zinc/42/56/98/503425698.db2.gz IJIJZDOTWCPZQR-ZWKOPEQDSA-N 0 3 369.437 3.185 20 30 FGEDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000503521271 503428219 /nfs/dbraw/zinc/42/82/19/503428219.db2.gz CDXSGQLIOSOWPL-FVQBIDKESA-N 0 3 351.397 3.072 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CCC[C@]2(C)CO)ccc1Cl ZINC000493553479 503433097 /nfs/dbraw/zinc/43/30/97/503433097.db2.gz VTCDSKYEVKFMMZ-PKOBYXMFSA-N 0 3 363.889 3.036 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cccc(NC(=O)c3cccnc3)c2)nc(C)n1 ZINC000503550359 503435327 /nfs/dbraw/zinc/43/53/27/503435327.db2.gz GBCBQYUHDTZCMD-GOSISDBHSA-N 0 3 371.400 3.231 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599207386 506372876 /nfs/dbraw/zinc/37/28/76/506372876.db2.gz UOIPQZQNXMXYMV-HXUWFJFHSA-N 0 3 354.498 3.497 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000499706255 503462413 /nfs/dbraw/zinc/46/24/13/503462413.db2.gz CSTNUWQAIGBDJY-UYAOXDASSA-N 0 3 357.498 3.342 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCC#Cc2cccc(F)c2)CN1Cc1ccccc1 ZINC000512189884 503481336 /nfs/dbraw/zinc/48/13/36/503481336.db2.gz QGAGEIZKQGUNAT-UTKZUKDTSA-N 0 3 365.452 3.139 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000508569141 503521157 /nfs/dbraw/zinc/52/11/57/503521157.db2.gz MUONTBLBQUCERT-SJORKVTESA-N 0 3 367.415 3.427 20 30 FGEDHN C=CCN1CC[C@H](N(C)CC2(COc3cccc(COC)c3)CCC2)C1=O ZINC000500001120 503531231 /nfs/dbraw/zinc/53/12/31/503531231.db2.gz ZDLVZKLOBCBNSS-FQEVSTJZSA-N 0 3 372.509 3.101 20 30 FGEDHN COCCOc1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000500069062 503545368 /nfs/dbraw/zinc/54/53/68/503545368.db2.gz ZZGMKMZULFYHNB-CYBMUJFWSA-N 0 3 365.311 3.011 20 30 FGEDHN C[C@H]1C[C@H]1c1noc(CC2CCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000593077667 506378836 /nfs/dbraw/zinc/37/88/36/506378836.db2.gz NXXYUEDMFYMBOZ-HNAYVOBHSA-N 0 3 366.465 3.398 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCC#Cc2cccc(F)c2)CCN1Cc1ccccc1 ZINC000504445130 503576074 /nfs/dbraw/zinc/57/60/74/503576074.db2.gz XLAISZXNYOCCCQ-UWJYYQICSA-N 0 3 365.452 3.139 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC#Cc1cccc(F)c1)N(C)C ZINC000504452850 503576821 /nfs/dbraw/zinc/57/68/21/503576821.db2.gz WXJNHRHEYIRDCS-UTKZUKDTSA-N 0 3 367.468 3.476 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](OCC3CC3)C1)CCC2 ZINC000494652804 503583748 /nfs/dbraw/zinc/58/37/48/503583748.db2.gz DOOPRRDCCDUXDY-HNNXBMFYSA-N 0 3 373.522 3.328 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000508874215 503585025 /nfs/dbraw/zinc/58/50/25/503585025.db2.gz QHZGXAYHLCTXJQ-LJQANCHMSA-N 0 3 351.498 3.442 20 30 FGEDHN C=C(C)COc1cc(CN[C@H](CO)Cc2ccc(F)cc2)ccc1OC ZINC000500250570 503589084 /nfs/dbraw/zinc/58/90/84/503589084.db2.gz OUEHNKROVKSVDK-IBGZPJMESA-N 0 3 359.441 3.482 20 30 FGEDHN C[C@@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512620476 503596770 /nfs/dbraw/zinc/59/67/70/503596770.db2.gz QYINUJGANUZQOV-CRAIPNDOSA-N 0 3 351.425 3.397 20 30 FGEDHN C[C@@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512620478 503597243 /nfs/dbraw/zinc/59/72/43/503597243.db2.gz QYINUJGANUZQOV-QAPCUYQASA-N 0 3 351.425 3.397 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc(OC)c1OC ZINC000512646099 503602454 /nfs/dbraw/zinc/60/24/54/503602454.db2.gz SSOQBTHQWIUVQH-XHSDSOJGSA-N 0 3 360.498 3.310 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508938187 503603676 /nfs/dbraw/zinc/60/36/76/503603676.db2.gz HOJJSNZHBOUROA-GOSISDBHSA-N 0 3 369.488 3.259 20 30 FGEDHN CC1(C)[C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000517025221 503646487 /nfs/dbraw/zinc/64/64/87/503646487.db2.gz LHBGEGHIHOPHCQ-PMACEKPBSA-N 0 3 368.502 3.361 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000529684954 503654967 /nfs/dbraw/zinc/65/49/67/503654967.db2.gz MKWOPECMRCEWHX-GEALJGNFSA-N 0 3 361.832 3.348 20 30 FGEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529724047 503682939 /nfs/dbraw/zinc/68/29/39/503682939.db2.gz VVJJGXGVONNZEV-GOSISDBHSA-N 0 3 355.482 3.239 20 30 FGEDHN C=CCC[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000540456238 503777132 /nfs/dbraw/zinc/77/71/32/503777132.db2.gz HNIGIIVDMOMZAL-IEBWSBKVSA-N 0 3 355.434 3.452 20 30 FGEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CCCC1 ZINC000533260752 503781969 /nfs/dbraw/zinc/78/19/69/503781969.db2.gz RPROIHNXNDCNDF-UHFFFAOYSA-N 0 3 352.400 3.295 20 30 FGEDHN N#Cc1ccc(N2CC[C@@H](N3CC[C@H](Cc4ccc(F)cc4)C3)C2=O)cc1 ZINC000533299485 503796580 /nfs/dbraw/zinc/79/65/80/503796580.db2.gz CSJAFOUYCFDPCY-WIYYLYMNSA-N 0 3 363.436 3.367 20 30 FGEDHN C[C@]1(NC(=O)Cc2c(F)cccc2C#N)CCN(Cc2ccccc2)C1 ZINC000517747693 503824474 /nfs/dbraw/zinc/82/44/74/503824474.db2.gz CSWSJUHDHUYZQL-NRFANRHFSA-N 0 3 351.425 3.021 20 30 FGEDHN Cc1ccccc1[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000540591270 503826942 /nfs/dbraw/zinc/82/69/42/503826942.db2.gz UZWWRVODBPUYKF-FQEVSTJZSA-N 0 3 354.475 3.381 20 30 FGEDHN N#Cc1ccccc1OC1CCC(NC(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000546791849 503881292 /nfs/dbraw/zinc/88/12/92/503881292.db2.gz YOHCKDZKTRHNKU-GZNCHQMQSA-N 0 3 367.493 3.239 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000543830169 503907296 /nfs/dbraw/zinc/90/72/96/503907296.db2.gz VIWPZHPXAPZBSB-UHFFFAOYSA-N 0 3 371.510 3.409 20 30 FGEDHN N#Cc1c(NCc2ccc(OCCN3CCCC3)cc2)nc2ccccn21 ZINC000543902653 503935231 /nfs/dbraw/zinc/93/52/31/503935231.db2.gz OVWFFWSJZHBGBP-UHFFFAOYSA-N 0 3 361.449 3.293 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2c(C)[nH]c3ccc(F)cc32)CC1 ZINC000527768948 503935279 /nfs/dbraw/zinc/93/52/79/503935279.db2.gz UJFMJSRAQLSICF-UHFFFAOYSA-N 0 3 358.461 3.108 20 30 FGEDHN CCN(C)c1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cn1 ZINC000527807512 503953466 /nfs/dbraw/zinc/95/34/66/503953466.db2.gz DFJYASKCPMWWKI-UHFFFAOYSA-N 0 3 350.466 3.205 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000518769488 504058834 /nfs/dbraw/zinc/05/88/34/504058834.db2.gz XKSKBFLDLZDCRH-KBPBESRZSA-N 0 3 360.531 3.205 20 30 FGEDHN COc1ccc(C[C@@H](C)CN(C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000534172948 504061774 /nfs/dbraw/zinc/06/17/74/504061774.db2.gz JGIWSKBMJNOKSP-MRXNPFEDSA-N 0 3 351.450 3.316 20 30 FGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000530818869 504096603 /nfs/dbraw/zinc/09/66/03/504096603.db2.gz NHULLZLDZRTISE-QMTHXVAHSA-N 0 3 354.237 3.473 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C2CCOCC2)C1 ZINC000534381619 504125748 /nfs/dbraw/zinc/12/57/48/504125748.db2.gz AZGJFWAXFMDIGZ-SJLPKXTDSA-N 0 3 362.539 3.400 20 30 FGEDHN C[C@@H](OC[C@H](O)CNCCOc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000519142042 504148809 /nfs/dbraw/zinc/14/88/09/504148809.db2.gz WIVMKBVVJZYKRP-DNVCBOLYSA-N 0 3 374.868 3.319 20 30 FGEDHN C=CCCOCCNC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000534579225 504180524 /nfs/dbraw/zinc/18/05/24/504180524.db2.gz GXMKKKDEPWJRAM-QUCCMNQESA-N 0 3 359.514 3.446 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NC(C)C)cc2C)CC1 ZINC000519289015 504184217 /nfs/dbraw/zinc/18/42/17/504184217.db2.gz OKAOEUFLWYROLU-UHFFFAOYSA-N 0 3 372.513 3.295 20 30 FGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)COc1ccccc1C#N ZINC000528391274 504203377 /nfs/dbraw/zinc/20/33/77/504203377.db2.gz XLKUREVXOXXFHT-BPAFIMBUSA-N 0 3 354.425 3.315 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](COc1ccccc1F)C(C)(C)C ZINC000538390022 504230215 /nfs/dbraw/zinc/23/02/15/504230215.db2.gz MXSHSLMJSIPHDI-YLJYHZDGSA-N 0 3 363.477 3.263 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000519589083 504264999 /nfs/dbraw/zinc/26/49/99/504264999.db2.gz ZGDYATMAZCLFPQ-WOJBJXKFSA-N 0 3 357.885 3.225 20 30 FGEDHN C=CC[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000528598636 504290100 /nfs/dbraw/zinc/29/01/00/504290100.db2.gz SIZIIFYBANQLHE-CGTJXYLNSA-N 0 3 355.507 3.440 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000519758328 504329884 /nfs/dbraw/zinc/32/98/84/504329884.db2.gz FELVJGUBXDTDGM-WIYYLYMNSA-N 0 3 354.425 3.299 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C2CCOCC2)C1)C(C)C ZINC000535110183 504345285 /nfs/dbraw/zinc/34/52/85/504345285.db2.gz IRLFAIUUWHKPQG-VQTJNVASSA-N 0 3 363.546 3.143 20 30 FGEDHN COC(=O)c1cccc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000535204980 504371682 /nfs/dbraw/zinc/37/16/82/504371682.db2.gz HDJNZOHUYGOLAF-IBGZPJMESA-N 0 3 363.461 3.051 20 30 FGEDHN N#Cc1ccc(C2(NCCc3nc(-c4ccccc4)no3)CCOCC2)cc1 ZINC000528778365 504377060 /nfs/dbraw/zinc/37/70/60/504377060.db2.gz IMAHMLFZIXKBLE-UHFFFAOYSA-N 0 3 374.444 3.446 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)CC1 ZINC000542264514 504429873 /nfs/dbraw/zinc/42/98/73/504429873.db2.gz YQRVNMGOWYUSKX-OXQOHEQNSA-N 0 3 357.498 3.438 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528996658 504488627 /nfs/dbraw/zinc/48/86/27/504488627.db2.gz RNHVYTFGAZJYJA-RRFJBIMHSA-N 0 3 360.385 3.155 20 30 FGEDHN COC[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000542522130 504524702 /nfs/dbraw/zinc/52/47/02/504524702.db2.gz PQSPILNTVZHLLF-XJKSGUPXSA-N 0 3 363.527 3.476 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000520691708 504558084 /nfs/dbraw/zinc/55/80/84/504558084.db2.gz BGJNIXCCQRPXDJ-UHFFFAOYSA-N 0 3 371.403 3.425 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3nc(-c4ccncc4)cs3)n2c1 ZINC000539519242 504598113 /nfs/dbraw/zinc/59/81/13/504598113.db2.gz WXQHLOYLQIDFOG-UHFFFAOYSA-N 0 3 360.446 3.057 20 30 FGEDHN C[C@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539609450 504624484 /nfs/dbraw/zinc/62/44/84/504624484.db2.gz HKGNUWUAUCTVSU-INIZCTEOSA-N 0 3 370.447 3.309 20 30 FGEDHN C=CC[C@@H](CO)CNCc1cccc(Br)c1OC(F)F ZINC000539632888 504634258 /nfs/dbraw/zinc/63/42/58/504634258.db2.gz WWNSACDDVMXQSS-SNVBAGLBSA-N 0 3 350.203 3.325 20 30 FGEDHN CC(C)(C)c1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cn21 ZINC000545979054 504663196 /nfs/dbraw/zinc/66/31/96/504663196.db2.gz FAEZDMVAWOFSQC-CYBMUJFWSA-N 0 3 358.405 3.393 20 30 FGEDHN COc1cc(CNC(=O)c2ccc(CN3CCCCC3)cc2)ccc1C#N ZINC000521376452 504723169 /nfs/dbraw/zinc/72/31/69/504723169.db2.gz UXAALJIBPBXGGN-UHFFFAOYSA-N 0 3 363.461 3.483 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)CC1 ZINC000521573603 504758774 /nfs/dbraw/zinc/75/87/74/504758774.db2.gz IEIBRTBYJNKVHT-INIZCTEOSA-N 0 3 369.513 3.481 20 30 FGEDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000559087030 504778582 /nfs/dbraw/zinc/77/85/82/504778582.db2.gz FDRRKWIKDCCXNR-WTOJCKNJSA-N 0 3 361.511 3.373 20 30 FGEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C2CCCC2)CC1 ZINC000549288291 504783771 /nfs/dbraw/zinc/78/37/71/504783771.db2.gz SNGRLPHVXKCKCB-FUHWJXTLSA-N 0 3 359.518 3.016 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2cccc(OCCCC#N)c2)[C@H]1n1cccn1 ZINC000559360419 504847312 /nfs/dbraw/zinc/84/73/12/504847312.db2.gz DCKMTQFYVWKWAC-XUVXKRRUSA-N 0 3 354.454 3.074 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000562845598 504962684 /nfs/dbraw/zinc/96/26/84/504962684.db2.gz LMSIOKSLBCDXOT-SFHVURJKSA-N 0 3 359.520 3.249 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000553867274 505028861 /nfs/dbraw/zinc/02/88/61/505028861.db2.gz NGJYDDCEMCGZKA-INIZCTEOSA-N 0 3 355.482 3.048 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000556976414 505035837 /nfs/dbraw/zinc/03/58/37/505035837.db2.gz GXDQJOOVYLIBTB-AUUYWEPGSA-N 0 3 353.853 3.462 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000554040545 505073773 /nfs/dbraw/zinc/07/37/73/505073773.db2.gz ONPRGTQKIQCPRJ-FQEVSTJZSA-N 0 3 351.450 3.378 20 30 FGEDHN Cc1ccc(CNC[C@H](O)CN(C)CCC#N)c(Oc2ccccc2)c1 ZINC000566112865 505085758 /nfs/dbraw/zinc/08/57/58/505085758.db2.gz UDIYBYMOZVCZSM-IBGZPJMESA-N 0 3 353.466 3.083 20 30 FGEDHN Cc1ccccc1[C@H]1C[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566125380 505090038 /nfs/dbraw/zinc/09/00/38/505090038.db2.gz REZHWFRZYLMGFH-IYARVYRRSA-N 0 3 354.475 3.176 20 30 FGEDHN Cn1nccc1-c1ccccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000560533460 505117410 /nfs/dbraw/zinc/11/74/10/505117410.db2.gz JKZCFWFKOROZLT-SFHVURJKSA-N 0 3 359.433 3.007 20 30 FGEDHN N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CNCCC3(F)F)c2)cc1 ZINC000563462445 505147284 /nfs/dbraw/zinc/14/72/84/505147284.db2.gz YLHXOWVNUOZCDD-QGZVFWFLSA-N 0 3 372.375 3.469 20 30 FGEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000557594037 505177468 /nfs/dbraw/zinc/17/74/68/505177468.db2.gz LBQVWIAJMIRGNH-NVAPDCRFSA-N 0 3 354.425 3.350 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(CC#N)CC2)N(C)C)cc1 ZINC000563743056 505226131 /nfs/dbraw/zinc/22/61/31/505226131.db2.gz XBXUWDPWZFZXKL-FQEVSTJZSA-N 0 3 372.513 3.412 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(CC#N)CC2)N(C)C)cc1 ZINC000563743057 505226356 /nfs/dbraw/zinc/22/63/56/505226356.db2.gz XBXUWDPWZFZXKL-HXUWFJFHSA-N 0 3 372.513 3.412 20 30 FGEDHN COc1ccc(COC[C@@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000561137830 505260046 /nfs/dbraw/zinc/26/00/46/505260046.db2.gz MFJMCYXOJZHERG-UGKGYDQZSA-N 0 3 366.461 3.112 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000557961339 505272100 /nfs/dbraw/zinc/27/21/00/505272100.db2.gz UJQBNWNZQBJVHT-HSALFYBXSA-N 0 3 360.498 3.174 20 30 FGEDHN COc1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccn1 ZINC000563929744 505278942 /nfs/dbraw/zinc/27/89/42/505278942.db2.gz MJBMFMSWLIFTHW-RHSMWYFYSA-N 0 3 354.429 3.421 20 30 FGEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000558061256 505299136 /nfs/dbraw/zinc/29/91/36/505299136.db2.gz FPQHBJNKONRZEN-GCJKJVERSA-N 0 3 366.461 3.316 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)c2ccc(F)c(C#N)c2)N(C)C)cc1 ZINC000558089564 505305309 /nfs/dbraw/zinc/30/53/09/505305309.db2.gz UZRNKCABLGJDTP-GOSISDBHSA-N 0 3 357.454 3.452 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2cc(C#N)cn2C)N(CC)CC)cc1 ZINC000558352195 505366417 /nfs/dbraw/zinc/36/64/17/505366417.db2.gz LCMJYSOVCKAAIW-FQEVSTJZSA-N 0 3 352.482 3.272 20 30 FGEDHN C=CCc1ccc(OCC(=O)N2CCN(C3CCC3)C[C@H](C)C2)c(OC)c1 ZINC000561532451 505370603 /nfs/dbraw/zinc/37/06/03/505370603.db2.gz VEQFAIOTUVUGEC-KRWDZBQOSA-N 0 3 372.509 3.135 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)COc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000552026070 505373665 /nfs/dbraw/zinc/37/36/65/505373665.db2.gz XQJQKGVLNPFSPL-QGZVFWFLSA-N 0 3 371.868 3.052 20 30 FGEDHN N#Cc1ccc(CNCc2ccnc(-n3cccn3)c2)c(C(F)(F)F)c1 ZINC000558483594 505404791 /nfs/dbraw/zinc/40/47/91/505404791.db2.gz VHKKEOSMVGXEMC-UHFFFAOYSA-N 0 3 357.339 3.448 20 30 FGEDHN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 ZINC000555374990 505420204 /nfs/dbraw/zinc/42/02/04/505420204.db2.gz FFBOZKMUJQJYDQ-UHFFFAOYSA-N 0 3 364.497 3.005 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC3(CCC3)[C@@H]2C2CC2)c(OC)c1 ZINC000564561051 505453531 /nfs/dbraw/zinc/45/35/31/505453531.db2.gz LFLSEPDNFYZUNV-NQIIRXRSSA-N 0 3 357.494 3.428 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000567455874 505469093 /nfs/dbraw/zinc/46/90/93/505469093.db2.gz MBZWXDNWUGMZEC-ZBFHGGJFSA-N 0 3 361.442 3.211 20 30 FGEDHN COc1cccc(CN(CCN(C)C)c2ccc(C#N)c([N+](=O)[O-])c2)c1 ZINC000562245749 505551856 /nfs/dbraw/zinc/55/18/56/505551856.db2.gz KJHLYFPCRWSMFJ-UHFFFAOYSA-N 0 3 354.410 3.043 20 30 FGEDHN C[C@](C#N)(NC(=O)CS[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000564965684 505564036 /nfs/dbraw/zinc/56/40/36/505564036.db2.gz JUDJHTLQOAURNZ-AZUAARDMSA-N 0 3 357.523 3.193 20 30 FGEDHN CN(Cc1ccccc1N1CCCC1)C[C@H](O)COc1ccccc1C#N ZINC000599249171 506384784 /nfs/dbraw/zinc/38/47/84/506384784.db2.gz SVRPTTRMJGTPMH-FQEVSTJZSA-N 0 3 365.477 3.030 20 30 FGEDHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599252356 506387063 /nfs/dbraw/zinc/38/70/63/506387063.db2.gz OEPDRTBAEPWWCU-MRXNPFEDSA-N 0 3 362.376 3.031 20 30 FGEDHN CN(Cc1cc(Br)cs1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599262596 506389851 /nfs/dbraw/zinc/38/98/51/506389851.db2.gz JQSOKPUPASNESD-CYBMUJFWSA-N 0 3 373.316 3.014 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(-n2ccnn2)cc1)C(C)C ZINC000588948845 506392595 /nfs/dbraw/zinc/39/25/95/506392595.db2.gz SEOCFCYSDVQODJ-IBGZPJMESA-N 0 3 368.485 3.087 20 30 FGEDHN C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593115898 506401268 /nfs/dbraw/zinc/40/12/68/506401268.db2.gz NEUKYKSPNUMQCW-BEFAXECRSA-N 0 3 354.425 3.099 20 30 FGEDHN N#Cc1ccc(NCC2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000596439478 506405316 /nfs/dbraw/zinc/40/53/16/506405316.db2.gz CMWFILQIOWDWPX-UHFFFAOYSA-N 0 3 351.410 3.186 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000589006341 506410386 /nfs/dbraw/zinc/41/03/86/506410386.db2.gz CLLNBYSAPDNCBV-MAUKXSAKSA-N 0 3 364.449 3.351 20 30 FGEDHN Cc1ccc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C#N ZINC000599347672 506420464 /nfs/dbraw/zinc/42/04/64/506420464.db2.gz HTGUEZVNRGRPGM-MRXNPFEDSA-N 0 3 363.461 3.375 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(OC(F)F)cc1 ZINC000599351542 506423796 /nfs/dbraw/zinc/42/37/96/506423796.db2.gz ZUIDSZGLLHGJSY-BBRMVZONSA-N 0 3 362.376 3.250 20 30 FGEDHN Cc1cc([C@@H](NC[C@@H](O)COc2ccccc2C#N)C2CC2)ccc1F ZINC000599353809 506424637 /nfs/dbraw/zinc/42/46/37/506424637.db2.gz QSOWNDPEASSGJZ-NQIIRXRSSA-N 0 3 354.425 3.486 20 30 FGEDHN COc1ccc2oc([C@H](C)NC[C@H](O)CC3(C#N)CCOCC3)c(C)c2c1 ZINC000599358386 506427952 /nfs/dbraw/zinc/42/79/52/506427952.db2.gz HQUSYSNFKVWLON-JKSUJKDBSA-N 0 3 372.465 3.472 20 30 FGEDHN N#Cc1cc(NC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ccn1 ZINC000603127046 506430489 /nfs/dbraw/zinc/43/04/89/506430489.db2.gz QYEOMVAPFXIJJT-NRFANRHFSA-N 0 3 361.449 3.083 20 30 FGEDHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599385940 506436235 /nfs/dbraw/zinc/43/62/35/506436235.db2.gz JQNVSFVUWTYLTD-DGCLKSJQSA-N 0 3 353.260 3.163 20 30 FGEDHN N#Cc1ccccc1-c1ccc(Cn2cc([C@H](N)C3CCOCC3)nn2)cc1 ZINC000603190158 506452465 /nfs/dbraw/zinc/45/24/65/506452465.db2.gz LLWJLZJMCINOHT-JOCHJYFZSA-N 0 3 373.460 3.291 20 30 FGEDHN CCOC(=O)c1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000589196833 506480147 /nfs/dbraw/zinc/48/01/47/506480147.db2.gz FEHNBMWQUKGYPP-UHFFFAOYSA-N 0 3 353.422 3.087 20 30 FGEDHN CC(C)(NC[C@H](O)CC1(C#N)CCOCC1)c1nc2ccccc2s1 ZINC000599534482 506490370 /nfs/dbraw/zinc/49/03/70/506490370.db2.gz ZQOZZYGXOVVWOP-CQSZACIVSA-N 0 3 359.495 3.192 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2ccccc2)c(C(F)(F)F)c1 ZINC000589308851 506512664 /nfs/dbraw/zinc/51/26/64/506512664.db2.gz XNMSACOFCQBTCR-HNNXBMFYSA-N 0 3 350.340 3.107 20 30 FGEDHN C=CCC1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCCC1 ZINC000599611078 506528969 /nfs/dbraw/zinc/52/89/69/506528969.db2.gz WJLHXGQYFZARBR-UHFFFAOYSA-N 0 3 361.398 3.131 20 30 FGEDHN N#CCC[C@H](NC(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1 ZINC000599624980 506536930 /nfs/dbraw/zinc/53/69/30/506536930.db2.gz MCTQTXHRGMFPAF-SFHVURJKSA-N 0 3 350.422 3.335 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000583007958 506537073 /nfs/dbraw/zinc/53/70/73/506537073.db2.gz VQQKCOOHAFWLED-UIBIWLFHSA-N 0 3 363.527 3.164 20 30 FGEDHN N#Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)ccc1Cl ZINC000596708152 506552796 /nfs/dbraw/zinc/55/27/96/506552796.db2.gz MQRGDFVUDOAIPP-NWDGAFQWSA-N 0 3 362.735 3.134 20 30 FGEDHN N#Cc1cccc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)n1 ZINC000589455108 506554468 /nfs/dbraw/zinc/55/44/68/506554468.db2.gz DMSFYDWGTWDJJB-UHFFFAOYSA-N 0 3 350.422 3.070 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)c1ccco1 ZINC000593404779 506602479 /nfs/dbraw/zinc/60/24/79/506602479.db2.gz YSMHTOBHNTVFJL-KDOFPFPSSA-N 0 3 352.438 3.306 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000596817075 506616594 /nfs/dbraw/zinc/61/65/94/506616594.db2.gz WBZOTOYLKCNDHG-SLFFLAALSA-N 0 3 354.498 3.068 20 30 FGEDHN N#CC1(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CCCCC1 ZINC000596864174 506643509 /nfs/dbraw/zinc/64/35/09/506643509.db2.gz XXLBSJDTWORJEC-UHFFFAOYSA-N 0 3 354.498 3.378 20 30 FGEDHN COc1cc(NC(=O)NC[C@@H]2CCN2C2CCCCC2)c(F)cc1C#N ZINC000599811704 506650499 /nfs/dbraw/zinc/65/04/99/506650499.db2.gz VAFJOFGJQPARLF-HNNXBMFYSA-N 0 3 360.433 3.234 20 30 FGEDHN CC(C)c1nc(CNC2CCN(c3ccc(C#N)cn3)CC2)c2ccccn21 ZINC000593594371 506695670 /nfs/dbraw/zinc/69/56/70/506695670.db2.gz SAYAUKXIAVEJFU-UHFFFAOYSA-N 0 3 374.492 3.483 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000590032921 506710645 /nfs/dbraw/zinc/71/06/45/506710645.db2.gz XOHNDZWXUDHDPE-UHFFFAOYSA-N 0 3 353.451 3.092 20 30 FGEDHN N#Cc1cnn2cc(CN3CCC4(CCc5ccccc5C4)CC3)cnc12 ZINC000593647322 506713300 /nfs/dbraw/zinc/71/33/00/506713300.db2.gz XJOACUDANHDTET-UHFFFAOYSA-N 0 3 357.461 3.372 20 30 FGEDHN CC1CCN(CCNC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000608811696 506717525 /nfs/dbraw/zinc/71/75/25/506717525.db2.gz MRDNDQUSOGYZHP-UHFFFAOYSA-N 0 3 367.449 3.192 20 30 FGEDHN N#CC1(c2ccc(CN3CCC(C(N)=O)(c4ccccc4)CC3)cc2)CC1 ZINC000597010911 506731670 /nfs/dbraw/zinc/73/16/70/506731670.db2.gz ZFBVPAYHYOXMGQ-UHFFFAOYSA-N 0 3 359.473 3.261 20 30 FGEDHN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1cccc(OCCCC#N)c1 ZINC000593694026 506736504 /nfs/dbraw/zinc/73/65/04/506736504.db2.gz HYQWTQMYZKMKAV-IBGZPJMESA-N 0 3 351.450 3.235 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(c2ccccc2)CCCCCC1 ZINC000608981770 506759008 /nfs/dbraw/zinc/75/90/08/506759008.db2.gz WWFUVZLTWUQKLV-QGZVFWFLSA-N 0 3 357.498 3.269 20 30 FGEDHN COC(=O)COc1ccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000597088527 506766591 /nfs/dbraw/zinc/76/65/91/506766591.db2.gz PAWSPWUMHDDBKE-UHFFFAOYSA-N 0 3 364.445 3.426 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000597167068 506809635 /nfs/dbraw/zinc/80/96/35/506809635.db2.gz HXNDIEJTIOQHPA-GOSISDBHSA-N 0 3 364.530 3.291 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](OC)C1CC1 ZINC000583494390 506810257 /nfs/dbraw/zinc/81/02/57/506810257.db2.gz ZSARZAHEPQEFPV-MRXNPFEDSA-N 0 3 350.532 3.010 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCCO[C@@H](c2ccccc2)C1 ZINC000609233417 506822291 /nfs/dbraw/zinc/82/22/91/506822291.db2.gz DXPBXUOTLIVQNL-QGZVFWFLSA-N 0 3 355.463 3.412 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC1(c2noc(C(F)F)n2)CCC1 ZINC000590441177 506824742 /nfs/dbraw/zinc/82/47/42/506824742.db2.gz VGVCVMSLLVLQOP-ZDUSSCGKSA-N 0 3 360.364 3.275 20 30 FGEDHN CC(C)(C)Oc1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604436845 506832232 /nfs/dbraw/zinc/83/22/32/506832232.db2.gz FTTLWOKYPOYLDJ-LJQANCHMSA-N 0 3 368.477 3.459 20 30 FGEDHN CCOc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)ccc1O ZINC000597212443 506838475 /nfs/dbraw/zinc/83/84/75/506838475.db2.gz SLGJJCSILUCSAL-UHFFFAOYSA-N 0 3 352.434 3.458 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000593960057 506851360 /nfs/dbraw/zinc/85/13/60/506851360.db2.gz KSWRZVZALHOUGO-GOSISDBHSA-N 0 3 361.489 3.301 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000593972427 506858338 /nfs/dbraw/zinc/85/83/38/506858338.db2.gz CPBDGBJOTZYLIB-KRWDZBQOSA-N 0 3 367.468 3.466 20 30 FGEDHN Cc1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)c(OCCN(C)C)c1 ZINC000597279401 506875930 /nfs/dbraw/zinc/87/59/30/506875930.db2.gz GTMFMGMDCMNVLQ-UHFFFAOYSA-N 0 3 359.376 3.338 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)CC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000597278752 506876031 /nfs/dbraw/zinc/87/60/31/506876031.db2.gz SEYMXHJPHJSXGQ-UYAOXDASSA-N 0 3 369.509 3.208 20 30 FGEDHN N#Cc1ccc(C2(NC[C@@H](O)COCc3ccccc3F)CCC2)cc1 ZINC000594032939 506897637 /nfs/dbraw/zinc/89/76/37/506897637.db2.gz RUCLTBUFVXJTFR-LJQANCHMSA-N 0 3 354.425 3.244 20 30 FGEDHN N#C[C@@]1(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)CC12CCCC2 ZINC000590699459 506915491 /nfs/dbraw/zinc/91/54/91/506915491.db2.gz UHPTYAMBJLYSKK-OAQYLSRUSA-N 0 3 353.466 3.056 20 30 FGEDHN Cc1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)c(OCCN(C)C)c1 ZINC000594070484 506921895 /nfs/dbraw/zinc/92/18/95/506921895.db2.gz UQJLGRGIUUTIOY-UHFFFAOYSA-N 0 3 364.449 3.355 20 30 FGEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590755298 506939628 /nfs/dbraw/zinc/93/96/28/506939628.db2.gz XTSWMUDGQCGMIX-FVQBIDKESA-N 0 3 356.388 3.155 20 30 FGEDHN N#Cc1cc(CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)ccn1 ZINC000590764537 506942594 /nfs/dbraw/zinc/94/25/94/506942594.db2.gz LRAGUIMCRUEFTB-ZWKOTPCHSA-N 0 3 360.383 3.073 20 30 FGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594216141 507015541 /nfs/dbraw/zinc/01/55/41/507015541.db2.gz IYZWJPHXICNPNQ-DLBZAZTESA-N 0 3 354.498 3.357 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594215825 507015799 /nfs/dbraw/zinc/01/57/99/507015799.db2.gz RFXNOTRMYREUNG-OALUTQOASA-N 0 3 372.538 3.108 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000594217213 507016880 /nfs/dbraw/zinc/01/68/80/507016880.db2.gz SHRWKQRZYXQAJF-SFHVURJKSA-N 0 3 366.490 3.482 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000594226266 507022721 /nfs/dbraw/zinc/02/27/21/507022721.db2.gz JRCQOQMFUGLJIF-FQEVSTJZSA-N 0 3 374.488 3.496 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594281577 507060101 /nfs/dbraw/zinc/06/01/01/507060101.db2.gz DLOAWDFXQUBLLT-VQTJNVASSA-N 0 3 354.498 3.497 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000600722881 507081818 /nfs/dbraw/zinc/08/18/18/507081818.db2.gz KMPQPUQWWZIXFC-LJQANCHMSA-N 0 3 364.449 3.475 20 30 FGEDHN CC(C)(C)OCc1cccc(CNC[C@H](O)COc2ccccc2C#N)c1 ZINC000600725711 507084645 /nfs/dbraw/zinc/08/46/45/507084645.db2.gz YNVJOWLXTUWEMB-FQEVSTJZSA-N 0 3 368.477 3.403 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC34CCOCC4)sc2C1 ZINC000591032985 507087034 /nfs/dbraw/zinc/08/70/34/507087034.db2.gz KELQJIALRGZESG-CQSZACIVSA-N 0 3 373.522 3.328 20 30 FGEDHN CCCOc1ccc(CNC[C@H](O)COc2ccccc2C#N)c(C)c1 ZINC000600732744 507088768 /nfs/dbraw/zinc/08/87/68/507088768.db2.gz FCDZFBFKYRUPFM-IBGZPJMESA-N 0 3 354.450 3.185 20 30 FGEDHN CSCc1cc(F)ccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600732399 507089243 /nfs/dbraw/zinc/08/92/43/507089243.db2.gz YQXROTZZTRUEGV-SFHVURJKSA-N 0 3 360.454 3.090 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNC[C@@H](c1ccccc1)C(F)(F)F ZINC000600733139 507090030 /nfs/dbraw/zinc/09/00/30/507090030.db2.gz BSSWICXBYDCGKK-IRXDYDNUSA-N 0 3 364.367 3.234 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000600733531 507090770 /nfs/dbraw/zinc/09/07/70/507090770.db2.gz KFUFRHLDNLKRAP-AAEUAGOBSA-N 0 3 353.285 3.240 20 30 FGEDHN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594431611 507129097 /nfs/dbraw/zinc/12/90/97/507129097.db2.gz OSHQNLZFMPMKAN-FUHWJXTLSA-N 0 3 370.497 3.359 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000594437837 507133758 /nfs/dbraw/zinc/13/37/58/507133758.db2.gz LAMJYHXNJUJOQB-AWEZNQCLSA-N 0 3 366.918 3.243 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000594447901 507138780 /nfs/dbraw/zinc/13/87/80/507138780.db2.gz XFYMZXGWUYQXCQ-CVEARBPZSA-N 0 3 351.903 3.368 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1C ZINC000610209049 507139329 /nfs/dbraw/zinc/13/93/29/507139329.db2.gz QDIVSNTWGMBUMV-OXQOHEQNSA-N 0 3 363.461 3.350 20 30 FGEDHN CC(C)(C#N)c1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000594514877 507165050 /nfs/dbraw/zinc/16/50/50/507165050.db2.gz BNISWYZIWSHTKJ-INIZCTEOSA-N 0 3 354.475 3.148 20 30 FGEDHN CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN(CC)C1 ZINC000598042218 507230183 /nfs/dbraw/zinc/23/01/83/507230183.db2.gz WJAODUPMLGEWAO-SFHVURJKSA-N 0 3 364.449 3.302 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000584261614 507241975 /nfs/dbraw/zinc/24/19/75/507241975.db2.gz NCFAATZJAUTIOD-GMAHTHKFSA-N 0 3 361.489 3.426 20 30 FGEDHN COCc1csc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000594731367 507258646 /nfs/dbraw/zinc/25/86/46/507258646.db2.gz RSYZWFBRAFLSGD-SFHVURJKSA-N 0 3 355.463 3.051 20 30 FGEDHN CC(C)N1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000601184734 507290899 /nfs/dbraw/zinc/29/08/99/507290899.db2.gz MUHYDZZZVHUTLZ-UHFFFAOYSA-N 0 3 362.477 3.429 20 30 FGEDHN N#CC1(c2ccc(CNC[C@@H](c3cccs3)N3CCOCC3)cc2)CC1 ZINC000594920551 507314590 /nfs/dbraw/zinc/31/45/90/507314590.db2.gz FKGHZPSQNQTTFY-IBGZPJMESA-N 0 3 367.518 3.466 20 30 FGEDHN C[C@@H]1CN(c2ccc(CNCc3ccc(C4(C#N)CC4)cc3)cn2)CCO1 ZINC000594924548 507317185 /nfs/dbraw/zinc/31/71/85/507317185.db2.gz JSAOWUDUKBSLOC-QGZVFWFLSA-N 0 3 362.477 3.152 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594927804 507318217 /nfs/dbraw/zinc/31/82/17/507318217.db2.gz QZRBMJLGCAYPMU-HNNXBMFYSA-N 0 3 369.490 3.001 20 30 FGEDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000584408531 507330134 /nfs/dbraw/zinc/33/01/34/507330134.db2.gz HBCVONRYRJNPCZ-NVXWUHKLSA-N 0 3 371.481 3.187 20 30 FGEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000591759681 507350761 /nfs/dbraw/zinc/35/07/61/507350761.db2.gz TVBKRLGTUXTJTD-KKSFZXQISA-N 0 3 360.461 3.213 20 30 FGEDHN COC(=O)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)c(F)c1 ZINC000598345398 507386715 /nfs/dbraw/zinc/38/67/15/507386715.db2.gz KMVYIVCWKLZODA-MRXNPFEDSA-N 0 3 354.381 3.001 20 30 FGEDHN N#Cc1cnc2c(Cl)cccc2c1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000591897012 507401957 /nfs/dbraw/zinc/40/19/57/507401957.db2.gz WSWSRYGCVDKBBV-MRXNPFEDSA-N 0 3 370.884 3.451 20 30 FGEDHN N#CC1(CC(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)CCOCC1 ZINC000601728230 507441435 /nfs/dbraw/zinc/44/14/35/507441435.db2.gz PYZWGTFBKLCJPG-FQEVSTJZSA-N 0 3 369.509 3.258 20 30 FGEDHN C[C@@H]1COCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610990968 507470829 /nfs/dbraw/zinc/47/08/29/507470829.db2.gz WWIKAZWPYYHMMP-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CCC(F)CC1 ZINC000592116520 507490469 /nfs/dbraw/zinc/49/04/69/507490469.db2.gz VPFLGYAZUMRSHT-UHFFFAOYSA-N 0 3 360.477 3.160 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000598575251 507497038 /nfs/dbraw/zinc/49/70/38/507497038.db2.gz IBCPDQGXTLKHGN-MGPUTAFESA-N 0 3 359.429 3.443 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1)OCC ZINC000614442541 507515168 /nfs/dbraw/zinc/51/51/68/507515168.db2.gz GWERXJDLUIIACM-RBUKOAKNSA-N 0 3 368.562 3.078 20 30 FGEDHN CN(C)Cc1cccc(NCC(=O)Nc2ccccc2SCC#N)c1 ZINC000601936678 507521970 /nfs/dbraw/zinc/52/19/70/507521970.db2.gz XVQSKMHDFWAMNJ-UHFFFAOYSA-N 0 3 354.479 3.414 20 30 FGEDHN COc1ccc(F)c(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000598647046 507531304 /nfs/dbraw/zinc/53/13/04/507531304.db2.gz JYIRYVLDSDRWAG-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN N#Cc1cnc2c(F)cc(F)cc2c1NC1CCN([C@H]2CCOC2)CC1 ZINC000611165734 507543355 /nfs/dbraw/zinc/54/33/55/507543355.db2.gz HLDYHKKZKZQVBU-HNNXBMFYSA-N 0 3 358.392 3.050 20 30 FGEDHN CCN1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000595535419 507546615 /nfs/dbraw/zinc/54/66/15/507546615.db2.gz OGUMWQLZNJDYPM-INIZCTEOSA-N 0 3 362.905 3.003 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@H](CC#N)C1 ZINC000595615672 507594093 /nfs/dbraw/zinc/59/40/93/507594093.db2.gz MNWWWNDQBJMBBO-GOSISDBHSA-N 0 3 365.481 3.443 20 30 FGEDHN N#Cc1ccc(OC2CCN(Cc3ccccc3-n3cncn3)CC2)cc1 ZINC000611268887 507594687 /nfs/dbraw/zinc/59/46/87/507594687.db2.gz UZYAGTATKIXWAA-UHFFFAOYSA-N 0 3 359.433 3.182 20 30 FGEDHN N#CC[C@H]1CCCN(Cc2cncc(CN3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623312 507598065 /nfs/dbraw/zinc/59/80/65/507598065.db2.gz MHVAMBVGKJXEGH-KDURUIRLSA-N 0 3 351.498 3.333 20 30 FGEDHN N#CCN1CCC(NCc2cc(OC(F)F)ccc2Br)CC1 ZINC000592363340 507619477 /nfs/dbraw/zinc/61/94/77/507619477.db2.gz RCCSDPAFURDKTQ-UHFFFAOYSA-N 0 3 374.229 3.128 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H](CC2CC2)c2ccccc2)c1 ZINC000611395528 507660574 /nfs/dbraw/zinc/66/05/74/507660574.db2.gz HLXYGSOSFNWRSB-HXUWFJFHSA-N 0 3 354.475 3.463 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC1=CCCOC1 ZINC000595751860 507666738 /nfs/dbraw/zinc/66/67/38/507666738.db2.gz JFZMYMJCERLHGZ-UHFFFAOYSA-N 0 3 359.495 3.106 20 30 FGEDHN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000614883562 507684520 /nfs/dbraw/zinc/68/45/20/507684520.db2.gz GMBYPWIAUMVKEM-SFTDATJTSA-N 0 3 373.541 3.075 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000602401497 507695893 /nfs/dbraw/zinc/69/58/93/507695893.db2.gz KUJPWQKQKSRTEJ-HNNXBMFYSA-N 0 3 366.469 3.246 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(COc2cccc(F)c2)cc1 ZINC000592567490 507706763 /nfs/dbraw/zinc/70/67/63/507706763.db2.gz BDCREZMCWQEOPT-LJQANCHMSA-N 0 3 355.413 3.042 20 30 FGEDHN CC1(C)C[C@@]1(NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000595911827 507739701 /nfs/dbraw/zinc/73/97/01/507739701.db2.gz ZEJGJHSNOQFYQJ-SIKLNZKXSA-N 0 3 350.462 3.407 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(N(C)C)nc2ccccc12 ZINC000602560758 507749958 /nfs/dbraw/zinc/74/99/58/507749958.db2.gz MIDRTLLYDDONTE-INIZCTEOSA-N 0 3 352.482 3.489 20 30 FGEDHN C[C@H]([NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(OCC#N)cc1 ZINC000824548421 608519599 /nfs/dbraw/zinc/51/95/99/608519599.db2.gz XFASQSZZJATPSH-XOBRGWDASA-N 0 3 374.448 3.497 20 30 FGEDHN C=C(Br)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077553757 700255932 /nfs/dbraw/zinc/25/59/32/700255932.db2.gz SNYLRMOFWLZYJR-HNNXBMFYSA-N 0 3 366.303 3.201 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNCCc1c(C)noc1C ZINC000107321238 700515559 /nfs/dbraw/zinc/51/55/59/700515559.db2.gz HMPVRCUQRFCLDT-UHFFFAOYSA-N 0 3 363.255 3.398 20 30 FGEDHN Cc1cc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)ccc1Cl ZINC000125229483 700732688 /nfs/dbraw/zinc/73/26/88/700732688.db2.gz NCMZVQZTYJJVFX-JSGCOSHPSA-N 0 3 357.797 3.158 20 30 FGEDHN N#CC(C(=O)COc1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC000127869073 700767821 /nfs/dbraw/zinc/76/78/21/700767821.db2.gz WDRUITDNEGKXSR-HNNXBMFYSA-N 0 3 373.206 3.175 20 30 FGEDHN C=CCn1c(-c2ccco2)nn(CN2CCN(C)C[C@@H]2C(C)C)c1=S ZINC000153635679 705006403 /nfs/dbraw/zinc/00/64/03/705006403.db2.gz QCOADIBXOAWGHQ-OAHLLOKOSA-N 0 3 361.515 3.090 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CSCC(F)(F)F ZINC000156076117 705100107 /nfs/dbraw/zinc/10/01/07/705100107.db2.gz DSDLPRXOBIMSMO-JTQLQIEISA-N 0 3 360.357 3.028 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC(CC(=O)NC)CC1 ZINC000173906986 705476090 /nfs/dbraw/zinc/47/60/90/705476090.db2.gz ZQRXEZLHVZMIDB-UHFFFAOYSA-N 0 3 358.511 3.120 20 30 FGEDHN C[C@@H]1CC[C@@H](CCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)O1 ZINC000173978873 705480726 /nfs/dbraw/zinc/48/07/26/705480726.db2.gz ZEIRVYWBRLIAJR-KGYLQXTDSA-N 0 3 352.793 3.474 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1c(F)cccc1Cl ZINC000193468547 712892420 /nfs/dbraw/zinc/89/24/20/712892420.db2.gz QQAWWVIECQSDKA-GFCCVEGCSA-N 0 3 360.772 3.378 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nc(C)no1 ZINC000641993734 717943168 /nfs/dbraw/zinc/94/31/68/717943168.db2.gz QXPAPKOUBXFMKW-ZDUSSCGKSA-N 0 3 362.503 3.037 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C#N)n1 ZINC000571796916 714445037 /nfs/dbraw/zinc/44/50/37/714445037.db2.gz OTHURIXHOGZPFP-UHFFFAOYSA-N 0 3 357.845 3.202 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC(C)(C)OC ZINC000579818245 714498275 /nfs/dbraw/zinc/49/82/75/714498275.db2.gz NPUSPSVECGSDTM-UHFFFAOYSA-N 0 3 352.548 3.400 20 30 FGEDHN COC(=O)CC1(NCc2ccc(C#N)cc2Br)CCCC1 ZINC000619287604 714822043 /nfs/dbraw/zinc/82/20/43/714822043.db2.gz ZMMQGEWMNDMLHV-UHFFFAOYSA-N 0 3 351.244 3.286 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780306759 724457263 /nfs/dbraw/zinc/45/72/63/724457263.db2.gz ZSMDJFMLPPMATA-MJVIGCOGSA-N 0 3 353.205 3.066 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646920813 718321816 /nfs/dbraw/zinc/32/18/16/718321816.db2.gz VKDAABHGSULFBT-SWLSCSKDSA-N 0 3 354.372 3.046 20 30 FGEDHN N#Cc1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900533 721514768 /nfs/dbraw/zinc/51/47/68/721514768.db2.gz RWOZQSIGTMQWOA-RDJZCZTQSA-N 0 3 372.831 3.088 20 30 FGEDHN CCCC(=O)NCC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000729891409 722463366 /nfs/dbraw/zinc/46/33/66/722463366.db2.gz IAQIAOYDBZINJH-JTQLQIEISA-N 0 3 369.368 3.408 20 30 FGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000729941677 722463593 /nfs/dbraw/zinc/46/35/93/722463593.db2.gz ABPKEKXUNUBYDA-UHFFFAOYSA-N 0 3 361.511 3.190 20 30 FGEDHN C#CCSCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000740026591 722534815 /nfs/dbraw/zinc/53/48/15/722534815.db2.gz ZMSGETZPJHGFHN-MRXNPFEDSA-N 0 3 365.568 3.187 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000750684783 722777621 /nfs/dbraw/zinc/77/76/21/722777621.db2.gz UTFHXEPKXAACQH-SKDRFNHKSA-N 0 3 365.220 3.178 20 30 FGEDHN FC(F)(F)Oc1ccc(NN=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755628111 722955204 /nfs/dbraw/zinc/95/52/04/722955204.db2.gz FKCCPDHHMHTAOT-UHFFFAOYSA-N 0 3 372.372 3.324 20 30 FGEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000761036088 723114674 /nfs/dbraw/zinc/11/46/74/723114674.db2.gz INJPIXIQMBXNCE-DYVFJYSZSA-N 0 3 366.845 3.447 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1c(Cl)cccc1OC ZINC000790767983 723175523 /nfs/dbraw/zinc/17/55/23/723175523.db2.gz PGLMYLSXLMGOGK-CQSZACIVSA-N 0 3 350.846 3.296 20 30 FGEDHN C[C@]12CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C[C@H]1C2(F)F ZINC000794624927 723536210 /nfs/dbraw/zinc/53/62/10/723536210.db2.gz SLTXDPIXEXNKHU-CXMBCZLWSA-N 0 3 361.417 3.450 20 30 FGEDHN C#CCNC(=O)CN[C@@](C)(CCCC)c1cccc(Br)c1 ZINC000796523580 723641401 /nfs/dbraw/zinc/64/14/01/723641401.db2.gz PXEACFOEKUSSET-KRWDZBQOSA-N 0 3 351.288 3.194 20 30 FGEDHN CC(C)N1C(=O)C[C@@H](NCCO[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801951644 724349442 /nfs/dbraw/zinc/34/94/42/724349442.db2.gz XWMMNESPCOXUAP-XHBKTUGNSA-N 0 3 367.852 3.048 20 30 FGEDHN CCCCCCCCOCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000785824684 724940464 /nfs/dbraw/zinc/94/04/64/724940464.db2.gz DAJDFYSKJPTCMW-GOSISDBHSA-N 0 3 354.535 3.075 20 30 FGEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)C(C)C ZINC000786525914 724986395 /nfs/dbraw/zinc/98/63/95/724986395.db2.gz CIFBPKYIPMBTHQ-RDJZCZTQSA-N 0 3 350.846 3.116 20 30 FGEDHN N#CC(C(=O)Cc1cc(F)ccc1F)C(=O)NCc1cccc(Cl)c1 ZINC000786546667 724988307 /nfs/dbraw/zinc/98/83/07/724988307.db2.gz JZBOQSHCAQVINT-HNNXBMFYSA-N 0 3 362.763 3.186 20 30 FGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)COc2cccc(Cl)c2)c1 ZINC000786549296 724988484 /nfs/dbraw/zinc/98/84/84/724988484.db2.gz QLWNLEVZSUREBD-KRWDZBQOSA-N 0 3 356.809 3.053 20 30 FGEDHN CC(C)OCC(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000787054136 725015056 /nfs/dbraw/zinc/01/50/56/725015056.db2.gz SNLCLXQTIOODGS-GXFFZTMASA-N 0 3 357.237 3.304 20 30 FGEDHN C[C@H]1CN(CCCCNc2cc(Br)cnc2C#N)C[C@H](C)O1 ZINC000787898223 725040302 /nfs/dbraw/zinc/04/03/02/725040302.db2.gz AYLVYPSQPVERRP-STQMWFEESA-N 0 3 367.291 3.017 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cscc1Br ZINC000815904468 727105938 /nfs/dbraw/zinc/10/59/38/727105938.db2.gz GQDKPHYIRHBOLS-LBPRGKRZSA-N 0 3 371.300 3.458 20 30 FGEDHN COc1ccc(CNC[C@H](O)COc2cc(C)ccc2Cl)cc1C#N ZINC000819182023 727355620 /nfs/dbraw/zinc/35/56/20/727355620.db2.gz GPVOACGEVSTCDJ-INIZCTEOSA-N 0 3 360.841 3.058 20 30 FGEDHN C#C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1ccc(Cl)cc1 ZINC000820565591 729005669 /nfs/dbraw/zinc/00/56/69/729005669.db2.gz RCLZITLPEKFNIN-SFHVURJKSA-N 0 3 359.857 3.381 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000828491598 729444111 /nfs/dbraw/zinc/44/41/11/729444111.db2.gz KSZXJSJQOFJENR-MOPGFXCFSA-N 0 3 360.885 3.022 20 30 FGEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000835062556 729854344 /nfs/dbraw/zinc/85/43/44/729854344.db2.gz CYTQPXPBYTWAEC-RISCZKNCSA-N 0 3 352.818 3.120 20 30 FGEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000835062369 729854409 /nfs/dbraw/zinc/85/44/09/729854409.db2.gz SXERXVAGLDADRY-QWHCGFSZSA-N 0 3 356.394 3.464 20 30 FGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Br)cc1Cl ZINC000836216949 729947964 /nfs/dbraw/zinc/94/79/64/729947964.db2.gz NTFHFTZRWLFAFG-UHFFFAOYSA-N 0 3 358.667 3.179 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000837017904 729986997 /nfs/dbraw/zinc/98/69/97/729986997.db2.gz SFTQLKOWKILLKJ-UHFFFAOYSA-N 0 3 372.266 3.281 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cnn(C)c1 ZINC000842289006 730481196 /nfs/dbraw/zinc/48/11/96/730481196.db2.gz NCHXIQQCQMPNBT-ZWNOBZJWSA-N 0 3 362.792 3.054 20 30 FGEDHN CCOC(=O)C1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCC1 ZINC000842803007 730545400 /nfs/dbraw/zinc/54/54/00/730545400.db2.gz LJQDWENTKDREAW-GFCCVEGCSA-N 0 3 354.328 3.400 20 30 FGEDHN CN1C[C@H](C(=O)C(C#N)c2nc(C3CC3)cs2)c2ccccc2C1=O ZINC000842942630 730560699 /nfs/dbraw/zinc/56/06/99/730560699.db2.gz CEKWRSFRGDRDCA-CABCVRRESA-N 0 3 351.431 3.066 20 30 FGEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000845634391 730873363 /nfs/dbraw/zinc/87/33/63/730873363.db2.gz SQTRJCADTHPWFQ-CYBMUJFWSA-N 0 3 370.291 3.028 20 30 FGEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000850978456 731408462 /nfs/dbraw/zinc/40/84/62/731408462.db2.gz STLRLPMWTRTNRE-BREBYQMCSA-N 0 3 352.221 3.429 20 30 FGEDHN C[C@H]1COC2(CCC2)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852443800 731583921 /nfs/dbraw/zinc/58/39/21/731583921.db2.gz MMJLBOSBRHYPSX-UONOGXRCSA-N 0 3 355.463 3.116 20 30 FGEDHN CC(C)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852733207 731627551 /nfs/dbraw/zinc/62/75/51/731627551.db2.gz XOQFVXDSHDIZKR-OTWHNJEPSA-N 0 3 365.905 3.042 20 30 FGEDHN C#CC[C@H](COC)NCc1cc(Br)c(OCC=C)c(OC)c1 ZINC000858336108 732204733 /nfs/dbraw/zinc/20/47/33/732204733.db2.gz VXFRLSBTOZVURT-CQSZACIVSA-N 0 3 368.271 3.150 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000858404610 732211477 /nfs/dbraw/zinc/21/14/77/732211477.db2.gz VZGICYRNIXNNOW-INIZCTEOSA-N 0 3 352.887 3.389 20 30 FGEDHN C#CCNC(=O)CCN(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068705 732445257 /nfs/dbraw/zinc/44/52/57/732445257.db2.gz SEYLDARJRXYVIY-UHFFFAOYSA-N 0 3 351.475 3.371 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)[C@H](C)O1 ZINC000870135751 733814948 /nfs/dbraw/zinc/81/49/48/733814948.db2.gz BZEXVLCCGZUFFW-OAACRXHESA-N 0 3 368.405 3.462 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000876611303 736120605 /nfs/dbraw/zinc/12/06/05/736120605.db2.gz BUGZGNMHMDCYEJ-QWHCGFSZSA-N 0 3 359.253 3.306 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C ZINC000876621485 736122775 /nfs/dbraw/zinc/12/27/75/736122775.db2.gz AGVWBEGPLJTXNW-BLLLJJGKSA-N 0 3 363.889 3.276 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000876645073 736126034 /nfs/dbraw/zinc/12/60/34/736126034.db2.gz KOFGPQRCPTVQPG-GJZGRUSLSA-N 0 3 360.845 3.260 20 30 FGEDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1cc(C#N)cnc1Cl ZINC000876818292 736150034 /nfs/dbraw/zinc/15/00/34/736150034.db2.gz POGWAKRJQYEKEE-UHFFFAOYSA-N 0 3 355.873 3.279 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876890819 736158532 /nfs/dbraw/zinc/15/85/32/736158532.db2.gz JYWLWERPSDKGQK-GVDBMIGSSA-N 0 3 371.859 3.075 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cscc2Br)CC1 ZINC000883343487 737555772 /nfs/dbraw/zinc/55/57/72/737555772.db2.gz ONXQBQVZNPCSJO-UHFFFAOYSA-N 0 3 372.332 3.302 20 30 FGEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884055318 737629403 /nfs/dbraw/zinc/62/94/03/737629403.db2.gz JEHROHURERELOK-UKBVEQLASA-N 0 3 351.372 3.022 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCC[C@H]1Cc1ccccc1Cl)C2 ZINC000884102067 737633471 /nfs/dbraw/zinc/63/34/71/737633471.db2.gz QOHWPJAPVLEIFD-RXCRORICSA-N 0 3 357.885 3.013 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NC1(c3c(Cl)cccc3Cl)CC1)C2 ZINC000884173198 737640246 /nfs/dbraw/zinc/64/02/46/737640246.db2.gz PNNVFPGILSKGKS-JKGQDXBKSA-N 0 3 364.276 3.238 20 30 FGEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884322919 737655280 /nfs/dbraw/zinc/65/52/80/737655280.db2.gz YWTMDNIXYNFUNB-PPXVZNSRSA-N 0 3 360.527 3.234 20 30 FGEDHN Cc1cc(C[NH+](C)C)ccc1[N-]S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000886408779 739256733 /nfs/dbraw/zinc/25/67/33/739256733.db2.gz VLACRFCUPICHJU-UHFFFAOYSA-N 0 3 357.479 3.314 20 30 FGEDHN C#CCN(C(=O)/C=C/c1ccsc1C(F)(F)F)C1CCN(C)CC1 ZINC000886572771 739270834 /nfs/dbraw/zinc/27/08/34/739270834.db2.gz ZEZYMYVUNMJPFA-SNAWJCMRSA-N 0 3 356.413 3.336 20 30 FGEDHN C#CCN(C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C1CCN(C)CC1 ZINC000886575686 739271654 /nfs/dbraw/zinc/27/16/54/739271654.db2.gz FWHCVROBDVSGFT-MRXNPFEDSA-N 0 3 356.363 3.272 20 30 FGEDHN C#CCN(C(=O)c1[nH]c2ccccc2c1Br)C1CCN(C)CC1 ZINC000886583152 739272189 /nfs/dbraw/zinc/27/21/89/739272189.db2.gz DHHWRMGMDLPIHP-UHFFFAOYSA-N 0 3 374.282 3.100 20 30 FGEDHN C#CCN(C(=S)Nc1cc(Cl)ccc1OC)C1CCN(C)CC1 ZINC000899613515 742987892 /nfs/dbraw/zinc/98/78/92/742987892.db2.gz DQGFPLZPTOQEFD-UHFFFAOYSA-N 0 3 351.903 3.075 20 30 FGEDHN CC[C@@H](C#N)Oc1cc(CNC[C@](O)(CC)C(F)(F)F)ccc1OC ZINC000905118265 743993927 /nfs/dbraw/zinc/99/39/27/743993927.db2.gz SQYBZINGTDEGAA-XJKSGUPXSA-N 0 3 360.376 3.169 20 30 FGEDHN COc1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916881056 758149855 /nfs/dbraw/zinc/14/98/55/758149855.db2.gz KTPDISGWCCCFFW-CQSZACIVSA-N 0 3 358.781 3.075 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=C)Br ZINC000918716059 758357325 /nfs/dbraw/zinc/35/73/25/758357325.db2.gz JRACNICCLSYDLH-UHFFFAOYSA-N 0 3 371.348 3.493 20 30 FGEDHN CC1(C)O[C@@H]2C[C@@H](NCc3cc(C#N)ccc3Br)C[C@@H]2O1 ZINC000922872839 759019559 /nfs/dbraw/zinc/01/95/59/759019559.db2.gz GLRJDXUQGDHYPG-XMQYKBBCSA-N 0 3 351.244 3.093 20 30 FGEDHN C#CCN(C(=O)NCc1csc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000923463830 759123088 /nfs/dbraw/zinc/12/30/88/759123088.db2.gz HVCNNBJXDSCZSE-UHFFFAOYSA-N 0 3 359.417 3.006 20 30 FGEDHN C=CCCC[C@@H]1NC(=O)N(C[C@H]2CCCN(C)[C@H]2c2cccs2)C1=O ZINC000924699500 759373317 /nfs/dbraw/zinc/37/33/17/759373317.db2.gz FDEGIVDIZKVJNL-HLLBOEOZSA-N 0 3 361.511 3.408 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000926963014 759861609 /nfs/dbraw/zinc/86/16/09/759861609.db2.gz BRXQWRPDHKATHC-OAHLLOKOSA-N 0 3 357.479 3.479 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC[C@H](O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000930355727 760586643 /nfs/dbraw/zinc/58/66/43/760586643.db2.gz VPNRFZPDUZXCPM-XOKHGSTOSA-N 0 3 353.869 3.257 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2snnc2-c2ccccc2C)CC1 ZINC000932144009 761067767 /nfs/dbraw/zinc/06/77/67/761067767.db2.gz KSEAHNSDNPTHBR-UHFFFAOYSA-N 0 3 356.495 3.284 20 30 FGEDHN CC(C)(C#N)CCCN[C@H](CO)c1ccccc1I ZINC000934829736 761731873 /nfs/dbraw/zinc/73/18/73/761731873.db2.gz SMYGEXXEOGGVOB-CQSZACIVSA-N 0 3 372.250 3.244 20 30 FGEDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000968656456 762840581 /nfs/dbraw/zinc/84/05/81/762840581.db2.gz UDDYEFZYSXNZIP-KBRIMQKVSA-N 0 3 371.531 3.484 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000985543628 763955309 /nfs/dbraw/zinc/95/53/09/763955309.db2.gz PRMLKENWCKUDOB-KXBFYZLASA-N 0 3 357.523 3.479 20 30 FGEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001001760766 765294690 /nfs/dbraw/zinc/29/46/90/765294690.db2.gz NPKORGQZCBSKOT-HUUCEWRRSA-N 0 3 350.915 3.357 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001022834830 766031089 /nfs/dbraw/zinc/03/10/89/766031089.db2.gz NCZAWWQLPXLPGU-HPFXQQBRSA-N 0 3 363.299 3.326 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccc(C)cc2Cl)C1 ZINC001022843052 766033831 /nfs/dbraw/zinc/03/38/31/766033831.db2.gz RWRAIJRCRLEMSR-ZMMAXQRCSA-N 0 3 362.901 3.366 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1sccc1Cl ZINC001025090694 766066290 /nfs/dbraw/zinc/06/62/90/766066290.db2.gz ONXMVZTURMVWDU-FMKPAKJESA-N 0 3 368.930 3.463 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001028549567 766123010 /nfs/dbraw/zinc/12/30/10/766123010.db2.gz RJCBGGCTWHPBCT-WDYCEAGBSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1csc(C)c1 ZINC001049732744 766805450 /nfs/dbraw/zinc/80/54/50/766805450.db2.gz QRWOKMOSHFYVJD-MKXGPGLRSA-N 0 3 360.523 3.213 20 30 FGEDHN N#Cc1cccc(NC(=O)CN[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000290130988 257377903 /nfs/dbraw/zinc/37/79/03/257377903.db2.gz LUJKVCBKNXKEGH-NRFANRHFSA-N 0 3 361.445 3.181 20 30 FGEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)C1 ZINC000576808986 505599782 /nfs/dbraw/zinc/59/97/82/505599782.db2.gz ORAYTMTVPXARQJ-HDIOYNLWSA-N 0 3 366.509 3.307 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CNCc2sc(C)nc2C)c(OC)c1 ZINC000570955779 505619686 /nfs/dbraw/zinc/61/96/86/505619686.db2.gz HEGMPPITEURSHB-INIZCTEOSA-N 0 3 362.495 3.027 20 30 FGEDHN CC(C)[C@H](NC[C@@H](O)CN(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000570956219 505620227 /nfs/dbraw/zinc/62/02/27/505620227.db2.gz YCLNEGPOZROLIM-SJORKVTESA-N 0 3 357.420 3.198 20 30 FGEDHN N#CC(CCN1CC[C@@H](c2nnc[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000573915203 505650206 /nfs/dbraw/zinc/65/02/06/505650206.db2.gz RZNDUHPLVLMGOM-GOSISDBHSA-N 0 3 357.461 3.494 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCN(C(=O)CCc3ccccc3)C1)CC2 ZINC000571128227 505659311 /nfs/dbraw/zinc/65/93/11/505659311.db2.gz OLBZWXLBPJMVID-UNMCSNQZSA-N 0 3 359.473 3.369 20 30 FGEDHN COc1cc(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)ccc1C#N ZINC000573961100 505661004 /nfs/dbraw/zinc/66/10/04/505661004.db2.gz BJPPPFYDXLLYNR-JTSKRJEESA-N 0 3 366.461 3.109 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000577173514 505679612 /nfs/dbraw/zinc/67/96/12/505679612.db2.gz VBOBCRKQUSTPSH-FQEVSTJZSA-N 0 3 356.466 3.227 20 30 FGEDHN CC(C)N1CCC(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000048339146 493817096 /nfs/dbraw/zinc/81/70/96/493817096.db2.gz OOBFKJFKTJHJNS-UHFFFAOYSA-N 0 3 367.449 3.333 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCCN(c3ncccn3)C2)ccc1OC ZINC000057964765 493818062 /nfs/dbraw/zinc/81/80/62/493818062.db2.gz XXGXXHAQKUOHMS-SFHVURJKSA-N 0 3 368.481 3.199 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076201893 493842916 /nfs/dbraw/zinc/84/29/16/493842916.db2.gz RLENMKQJGRACSU-MRXNPFEDSA-N 0 3 367.449 3.334 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)N(C)C)cc1 ZINC000029754588 493855757 /nfs/dbraw/zinc/85/57/57/493855757.db2.gz SJWGQVXJWZMHAK-OXJNMPFZSA-N 0 3 365.477 3.307 20 30 FGEDHN COc1cc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)ccc1SC ZINC000058528760 493863045 /nfs/dbraw/zinc/86/30/45/493863045.db2.gz IZLQTWZYWVLNDA-QGZVFWFLSA-N 0 3 372.490 3.160 20 30 FGEDHN Cc1csc(NC(=O)NCc2ccccc2OCCN(C)C)c1C#N ZINC000568408616 505687320 /nfs/dbraw/zinc/68/73/20/505687320.db2.gz SOPYLUKVFIZMPO-UHFFFAOYSA-N 0 3 358.467 3.190 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccccc3[N+](=O)[O-])C2)c(F)c1 ZINC000068991443 493903666 /nfs/dbraw/zinc/90/36/66/493903666.db2.gz TXRACVZPRRHWFE-INIZCTEOSA-N 0 3 354.385 3.364 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](N(C)CCCC(C)(C)C#N)C2=O)c1 ZINC000081518792 493909180 /nfs/dbraw/zinc/90/91/80/493909180.db2.gz SQRVMCGXXGFSCC-SFHVURJKSA-N 0 3 359.470 3.071 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2CN2CCCCC2)cc1Cl ZINC000069078509 493917249 /nfs/dbraw/zinc/91/72/49/493917249.db2.gz MDCGLHLSQWRUSO-QGZVFWFLSA-N 0 3 360.889 3.100 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)CN(CC)CC ZINC000060324418 493922714 /nfs/dbraw/zinc/92/27/14/493922714.db2.gz SUIHUBCZGRANPL-UHFFFAOYSA-N 0 3 357.267 3.445 20 30 FGEDHN C[C@H]1CN(CC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000069255899 493943215 /nfs/dbraw/zinc/94/32/15/493943215.db2.gz QKLIFYRNVUTOQU-IRXDYDNUSA-N 0 3 370.497 3.106 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069299509 493953459 /nfs/dbraw/zinc/95/34/59/493953459.db2.gz XJBWDBDOUVNPAQ-IAGOWNOFSA-N 0 3 370.497 3.220 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)CC1 ZINC000061195707 493968483 /nfs/dbraw/zinc/96/84/83/493968483.db2.gz DHCKOGNKJPPOOC-UHFFFAOYSA-N 0 3 362.477 3.365 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000061289557 493972987 /nfs/dbraw/zinc/97/29/87/493972987.db2.gz OMUAPFAJMBPNHJ-UHFFFAOYSA-N 0 3 351.475 3.402 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(N(C)C(C)=O)cc1)C(C)C ZINC000062456957 494013226 /nfs/dbraw/zinc/01/32/26/494013226.db2.gz CGWNJYVTXJNZMY-FQEVSTJZSA-N 0 3 372.513 3.489 20 30 FGEDHN COC(=O)COc1c(C)cc(C(=O)C(C#N)c2nc(C)cs2)cc1C ZINC000083937511 494037796 /nfs/dbraw/zinc/03/77/96/494037796.db2.gz VXIQBSQOCYDMDI-CQSZACIVSA-N 0 3 358.419 3.110 20 30 FGEDHN CC(C)Cc1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000063594437 494067385 /nfs/dbraw/zinc/06/73/85/494067385.db2.gz MORHTOFVXCCVOG-UHFFFAOYSA-N 0 3 370.522 3.417 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1sccc1C#N ZINC000077371663 494069002 /nfs/dbraw/zinc/06/90/02/494069002.db2.gz POWQHEYTQDPYEA-MRXNPFEDSA-N 0 3 368.506 3.155 20 30 FGEDHN CC(C)Cc1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000063661735 494075635 /nfs/dbraw/zinc/07/56/35/494075635.db2.gz ZZKLAQPPJXQWPA-UHFFFAOYSA-N 0 3 370.522 3.417 20 30 FGEDHN CN(CCC#N)c1ccc(CNCc2ccc(C3OCCO3)cc2)cc1 ZINC000077418266 494079891 /nfs/dbraw/zinc/07/98/91/494079891.db2.gz KAFGJKLVXVQSFY-UHFFFAOYSA-N 0 3 351.450 3.372 20 30 FGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccco1 ZINC000008484750 494093302 /nfs/dbraw/zinc/09/33/02/494093302.db2.gz FUGMMTRUBPXXJC-NSHDSACASA-N 0 3 373.463 3.292 20 30 FGEDHN COc1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)cc1OCCCC#N ZINC000064614618 494138330 /nfs/dbraw/zinc/13/83/30/494138330.db2.gz KMMXLFDLNZSQPJ-OAHLLOKOSA-N 0 3 371.403 3.104 20 30 FGEDHN COc1ccc(CNC[C@H](O)c2ccccc2F)cc1OCCCC#N ZINC000064614236 494138375 /nfs/dbraw/zinc/13/83/75/494138375.db2.gz LWKWGVCPPQJOHK-SFHVURJKSA-N 0 3 358.413 3.340 20 30 FGEDHN N#Cc1csc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000580259742 505714965 /nfs/dbraw/zinc/71/49/65/505714965.db2.gz VDSXOMVUIXRESB-FQEVSTJZSA-N 0 3 366.534 3.012 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089832766 494376709 /nfs/dbraw/zinc/37/67/09/494376709.db2.gz ZQIXUZRWWWMTLN-UHFFFAOYSA-N 0 3 365.477 3.158 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000574217481 505722388 /nfs/dbraw/zinc/72/23/88/505722388.db2.gz NTDFCHHOWPTBBC-KRWDZBQOSA-N 0 3 372.415 3.456 20 30 FGEDHN CC(C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Br)cc1 ZINC000079881878 494542675 /nfs/dbraw/zinc/54/26/75/494542675.db2.gz BGQMOQBLLZHVKY-KRWDZBQOSA-N 0 3 364.287 3.082 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000092455433 494631776 /nfs/dbraw/zinc/63/17/76/494631776.db2.gz ZKIXEKGTEQESJT-KRWDZBQOSA-N 0 3 358.486 3.135 20 30 FGEDHN C[C@H]1CCC[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000126085201 494631911 /nfs/dbraw/zinc/63/19/11/494631911.db2.gz ACFDCGURPUZOEZ-YJBOKZPZSA-N 0 3 351.454 3.193 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025308633 494720830 /nfs/dbraw/zinc/72/08/30/494720830.db2.gz KESSXGWXMAZEKE-PZJWPPBQSA-N 0 3 354.425 3.469 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1ccc2c(c1)OCO2 ZINC000025368886 494729080 /nfs/dbraw/zinc/72/90/80/494729080.db2.gz HUSCNTXRHQUNQQ-GOSISDBHSA-N 0 3 355.434 3.016 20 30 FGEDHN CCC[C@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000091968172 494738134 /nfs/dbraw/zinc/73/81/34/494738134.db2.gz GLIPKCLCIXCMNU-NVXWUHKLSA-N 0 3 353.388 3.249 20 30 FGEDHN Cc1c(NC(=O)CCN(C)Cc2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000026329622 494819364 /nfs/dbraw/zinc/81/93/64/494819364.db2.gz MNVQMFYMGUUYGV-UHFFFAOYSA-N 0 3 352.394 3.236 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc(OC)c1O ZINC000093134050 494832305 /nfs/dbraw/zinc/83/23/05/494832305.db2.gz JJNBSVSPCIVRLD-QGZVFWFLSA-N 0 3 368.481 3.047 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000577531920 505745975 /nfs/dbraw/zinc/74/59/75/505745975.db2.gz AREWJJHPTZWNBZ-FOIQADDNSA-N 0 3 351.425 3.019 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)[N-]C[C@@H]2CCCO2)cc1 ZINC000027073303 494851978 /nfs/dbraw/zinc/85/19/78/494851978.db2.gz CPOUEIKMWZFZLD-KRWDZBQOSA-O 0 3 373.473 3.129 20 30 FGEDHN C=CCc1cc(CN2CCC(Cc3nccn3C)CC2)cc(OC)c1O ZINC000121771109 494857193 /nfs/dbraw/zinc/85/71/93/494857193.db2.gz KUJBIPKOLGPIPX-UHFFFAOYSA-N 0 3 355.482 3.318 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)N(C)C)cc1 ZINC000027596243 494875393 /nfs/dbraw/zinc/87/53/93/494875393.db2.gz HRNXGDLMHQRXJG-IERDGZPVSA-N 0 3 365.477 3.307 20 30 FGEDHN Cc1cccnc1[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)C(C)C ZINC000121926045 494891896 /nfs/dbraw/zinc/89/18/96/494891896.db2.gz NXYZRBQZJPPTHM-QUCCMNQESA-N 0 3 353.466 3.183 20 30 FGEDHN C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1[O-] ZINC000109770621 494916725 /nfs/dbraw/zinc/91/67/25/494916725.db2.gz GRUOXDVMKLXCCT-UHFFFAOYSA-N 0 3 355.463 3.275 20 30 FGEDHN C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1[O-] ZINC000109770621 494916727 /nfs/dbraw/zinc/91/67/27/494916727.db2.gz GRUOXDVMKLXCCT-UHFFFAOYSA-N 0 3 355.463 3.275 20 30 FGEDHN Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CC[NH+]2CCCC2)c1 ZINC000093931215 494936398 /nfs/dbraw/zinc/93/63/98/494936398.db2.gz CZTDZUHLCPYLLD-UHFFFAOYSA-N 0 3 369.490 3.306 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)C(C)C ZINC000122443596 494975999 /nfs/dbraw/zinc/97/59/99/494975999.db2.gz IYAXLSVDIYKVTB-IBGZPJMESA-N 0 3 371.456 3.096 20 30 FGEDHN C#CCOc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000133215186 494985784 /nfs/dbraw/zinc/98/57/84/494985784.db2.gz BNUMKCMJNJDATQ-UHFFFAOYSA-N 0 3 352.434 3.028 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000122833222 495037584 /nfs/dbraw/zinc/03/75/84/495037584.db2.gz ZDYWJMTWGFBYBT-UHFFFAOYSA-N 0 3 372.476 3.051 20 30 FGEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000118974721 495062542 /nfs/dbraw/zinc/06/25/42/495062542.db2.gz MROBYJOGKNSGDP-UYAOXDASSA-N 0 3 355.482 3.050 20 30 FGEDHN Cc1ccc([C@H](CNc2nccc(C#N)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000133881589 495074877 /nfs/dbraw/zinc/07/48/77/495074877.db2.gz GFTHMPOGCHYEQK-KRWDZBQOSA-N 0 3 351.410 3.419 20 30 FGEDHN COc1ccc([C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 ZINC000128394498 495090631 /nfs/dbraw/zinc/09/06/31/495090631.db2.gz MFHISEBCFIKYDL-HXUWFJFHSA-N 0 3 372.490 3.327 20 30 FGEDHN C=CCOc1cccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000119458062 495171164 /nfs/dbraw/zinc/17/11/64/495171164.db2.gz ZWFFMBTWPZQMFZ-HNNXBMFYSA-N 0 3 360.479 3.092 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000580476308 505767526 /nfs/dbraw/zinc/76/75/26/505767526.db2.gz KKPDZUUANJKRPQ-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2c(cc1F)NC(=O)CC2)C(C)C ZINC000134916362 495222843 /nfs/dbraw/zinc/22/28/43/495222843.db2.gz JOBKZYNLALMAGI-LJQANCHMSA-N 0 3 373.472 3.139 20 30 FGEDHN Cc1cccc2[nH]cc(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c21 ZINC000103380328 495225924 /nfs/dbraw/zinc/22/59/24/495225924.db2.gz SRRNTHCZTOQCDV-UHFFFAOYSA-N 0 3 374.488 3.481 20 30 FGEDHN C[C@@]1(O)CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000124185875 495247825 /nfs/dbraw/zinc/24/78/25/495247825.db2.gz CBZCPGNPQDTWSC-LJQANCHMSA-N 0 3 361.511 3.064 20 30 FGEDHN C=CCN(CCC(=O)NC(=O)Nc1ccccc1)Cc1cccc(C#N)c1 ZINC000119997537 495285051 /nfs/dbraw/zinc/28/50/51/495285051.db2.gz CFMHTJGAVZUAMG-UHFFFAOYSA-N 0 3 362.433 3.285 20 30 FGEDHN N#CC1(c2ccccc2)CCC(Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000574440829 505774556 /nfs/dbraw/zinc/77/45/56/505774556.db2.gz FZZSAFPJWIHIEY-UHFFFAOYSA-N 0 3 361.493 3.307 20 30 FGEDHN Cc1c(C#N)c(NCc2ccccc2CN2CC[C@@H](O)C2)nc2ccccc12 ZINC000580516727 505776368 /nfs/dbraw/zinc/77/63/68/505776368.db2.gz CUKJILIXHYTSCH-LJQANCHMSA-N 0 3 372.472 3.016 20 30 FGEDHN COc1ccc(O)c(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000114506277 495386877 /nfs/dbraw/zinc/38/68/77/495386877.db2.gz OYUOPQCYOIGGRW-UHFFFAOYSA-N 0 3 362.433 3.468 20 30 FGEDHN COc1ccc([O-])c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000114506277 495386880 /nfs/dbraw/zinc/38/68/80/495386880.db2.gz OYUOPQCYOIGGRW-UHFFFAOYSA-N 0 3 362.433 3.468 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114791571 495425278 /nfs/dbraw/zinc/42/52/78/495425278.db2.gz CMMCNEWPEFVDPX-NRFANRHFSA-N 0 3 362.477 3.364 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000106258481 495439919 /nfs/dbraw/zinc/43/99/19/495439919.db2.gz VFQXUFLJPBSWRG-HNNXBMFYSA-N 0 3 358.486 3.046 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2occc21 ZINC000120840707 495469099 /nfs/dbraw/zinc/46/90/99/495469099.db2.gz XIGBNGUYGOYEPP-LJQANCHMSA-N 0 3 366.465 3.302 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000115253997 495480864 /nfs/dbraw/zinc/48/08/64/495480864.db2.gz AIRWQGATAYDXKM-JOCHJYFZSA-N 0 3 361.489 3.135 20 30 FGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125722826 495488115 /nfs/dbraw/zinc/48/81/15/495488115.db2.gz LMPFMDZHEOBTQI-MRXNPFEDSA-N 0 3 357.475 3.094 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1C#N ZINC000106791461 495497616 /nfs/dbraw/zinc/49/76/16/495497616.db2.gz GHYPCXNEEFFKFK-CQSZACIVSA-N 0 3 370.522 3.299 20 30 FGEDHN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCN(C)C ZINC000121042049 495510599 /nfs/dbraw/zinc/51/05/99/495510599.db2.gz BSCQHUBOBUZZKB-UHFFFAOYSA-N 0 3 352.891 3.350 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000179344043 495551456 /nfs/dbraw/zinc/55/14/56/495551456.db2.gz WWEGOXIZLFAPKE-UHFFFAOYSA-N 0 3 363.461 3.319 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)[C@H](C)COC)cc1OC ZINC000179370141 495564453 /nfs/dbraw/zinc/56/44/53/495564453.db2.gz YVLOVIQMYYWQLA-GFCCVEGCSA-N 0 3 358.276 3.489 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)c(F)c1 ZINC000170937111 495659615 /nfs/dbraw/zinc/65/96/15/495659615.db2.gz HOQJJFITESAVAP-UHFFFAOYSA-N 0 3 366.440 3.115 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000179740720 495713036 /nfs/dbraw/zinc/71/30/36/495713036.db2.gz XHSWSWLDCKFVMP-GOSISDBHSA-N 0 3 372.513 3.383 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)cs1 ZINC000179754516 495719409 /nfs/dbraw/zinc/71/94/09/495719409.db2.gz YYQWBBMMMDEGAD-KRWDZBQOSA-N 0 3 369.490 3.452 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(C(=O)NCCC)CC2)ccc1OC ZINC000179924110 495785127 /nfs/dbraw/zinc/78/51/27/495785127.db2.gz UUTFZAYQLBTFIY-UHFFFAOYSA-N 0 3 360.498 3.388 20 30 FGEDHN CC[C@@H]1Oc2cc([C@@H](C)NC[C@H](O)c3ccc(C#N)cc3)ccc2NC1=O ZINC000180033655 495831493 /nfs/dbraw/zinc/83/14/93/495831493.db2.gz MFFNPDDSGRXDBF-VMDGZTHMSA-N 0 3 365.433 3.052 20 30 FGEDHN Cn1cc(CNCc2ccc(-n3cccn3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180053039 495838074 /nfs/dbraw/zinc/83/80/74/495838074.db2.gz QWQCDTUCVZYLHN-UHFFFAOYSA-N 0 3 368.444 3.434 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000180097589 495856424 /nfs/dbraw/zinc/85/64/24/495856424.db2.gz PHCHXASICLUFSB-HNNXBMFYSA-N 0 3 352.438 3.361 20 30 FGEDHN C[C@H]1Cc2ccccc2N1CCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180145901 495879225 /nfs/dbraw/zinc/87/92/25/495879225.db2.gz BQNPQFDVCMJGTE-KRWDZBQOSA-N 0 3 371.488 3.500 20 30 FGEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000186247095 495913172 /nfs/dbraw/zinc/91/31/72/495913172.db2.gz HUYZNMKFAJCPHP-HZPDHXFCSA-N 0 3 354.454 3.141 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C#N)o2)CC1 ZINC000174353392 495923875 /nfs/dbraw/zinc/92/38/75/495923875.db2.gz YSZBZECZRMBVOP-OAHLLOKOSA-N 0 3 356.445 3.283 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2sccc2Br)CC1 ZINC000171557941 495927207 /nfs/dbraw/zinc/92/72/07/495927207.db2.gz YAJWYKOMYBGONH-UHFFFAOYSA-N 0 3 372.332 3.350 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC000183345361 495939847 /nfs/dbraw/zinc/93/98/47/495939847.db2.gz CFLGEOARDHYJDI-OAQYLSRUSA-N 0 3 371.525 3.070 20 30 FGEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccncc1 ZINC000160580922 495996462 /nfs/dbraw/zinc/99/64/62/495996462.db2.gz PCPQWAPJNJXKKX-QGZVFWFLSA-N 0 3 350.466 3.037 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccccc3)cc2OCCC)CC1 ZINC000171715052 496003211 /nfs/dbraw/zinc/00/32/11/496003211.db2.gz BCUJERDKYLPBPA-UHFFFAOYSA-N 0 3 368.481 3.041 20 30 FGEDHN C=CCN1CCC(NC(=O)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000171719004 496006010 /nfs/dbraw/zinc/00/60/10/496006010.db2.gz IRMUXMMKBYWBIE-UHFFFAOYSA-N 0 3 355.507 3.423 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000171737347 496013648 /nfs/dbraw/zinc/01/36/48/496013648.db2.gz BUKMTRVIZGMPHR-UHFFFAOYSA-N 0 3 356.239 3.360 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000171741240 496016243 /nfs/dbraw/zinc/01/62/43/496016243.db2.gz ZGNONTHFQNHGRP-OAQYLSRUSA-N 0 3 364.493 3.253 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000171741790 496016459 /nfs/dbraw/zinc/01/64/59/496016459.db2.gz HTLPZVNLCZGVGK-SFHVURJKSA-N 0 3 373.497 3.406 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)CC1 ZINC000171741862 496016568 /nfs/dbraw/zinc/01/65/68/496016568.db2.gz KXTMHQURQXCFFA-IBGZPJMESA-N 0 3 367.497 3.368 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000171741862 496016569 /nfs/dbraw/zinc/01/65/69/496016569.db2.gz KXTMHQURQXCFFA-IBGZPJMESA-N 0 3 367.497 3.368 20 30 FGEDHN COc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)cc(OC)c1OC ZINC000180559050 496044045 /nfs/dbraw/zinc/04/40/45/496044045.db2.gz XMOUCKMFCBEBRH-CQSZACIVSA-N 0 3 356.422 3.466 20 30 FGEDHN CCN(CCN1CCCCCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000571829903 505823413 /nfs/dbraw/zinc/82/34/13/505823413.db2.gz HPSWVUBMJHIENP-UHFFFAOYSA-N 0 3 353.470 3.306 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNCc2cc(C#N)cs2)CC1 ZINC000177686184 496158984 /nfs/dbraw/zinc/15/89/84/496158984.db2.gz FXSQQXBBIGJRNR-UHFFFAOYSA-N 0 3 354.523 3.047 20 30 FGEDHN C[C@](C#N)(NC(=O)CN(CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000152549029 496184844 /nfs/dbraw/zinc/18/48/44/496184844.db2.gz RDQCGBXFPJISOT-OAQYLSRUSA-N 0 3 357.473 3.421 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000180983231 496228995 /nfs/dbraw/zinc/22/89/95/496228995.db2.gz WWBNAHKVDHYDID-ROUUACIJSA-N 0 3 363.889 3.120 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000187012111 496251241 /nfs/dbraw/zinc/25/12/41/496251241.db2.gz SKYRIINPEXVBAD-NRFANRHFSA-N 0 3 359.473 3.371 20 30 FGEDHN C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000175158896 496270786 /nfs/dbraw/zinc/27/07/86/496270786.db2.gz KXEBCKJAOXYTEP-SFHVURJKSA-N 0 3 362.477 3.364 20 30 FGEDHN C[C@H]1CN(CCC2CCN(C(=O)C3(C#N)CCCCC3)CC2)C[C@H](C)O1 ZINC000178239194 496382081 /nfs/dbraw/zinc/38/20/81/496382081.db2.gz FJVRJASMVXPROO-ROUUACIJSA-N 0 3 361.530 3.198 20 30 FGEDHN C[C@@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000181449237 496400331 /nfs/dbraw/zinc/40/03/31/496400331.db2.gz HQVPYWXPLXFIIR-QGZVFWFLSA-N 0 3 352.457 3.170 20 30 FGEDHN C[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cccc(C#N)c1 ZINC000181592851 496460791 /nfs/dbraw/zinc/46/07/91/496460791.db2.gz BUBLISRSIRBHIH-HRAATJIYSA-N 0 3 353.441 3.421 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(=O)[nH]c3c(F)cc(C)cc23)CC1 ZINC000181622179 496473638 /nfs/dbraw/zinc/47/36/38/496473638.db2.gz VOTSRDVNOJCBHT-UHFFFAOYSA-N 0 3 357.429 3.158 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1SC[C@@H]1CCN(C)C1 ZINC000187662194 496525389 /nfs/dbraw/zinc/52/53/89/496525389.db2.gz AEFACHOIEDJJHE-CQSZACIVSA-N 0 3 362.474 3.226 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000175766567 496536056 /nfs/dbraw/zinc/53/60/56/496536056.db2.gz DCCCVVMWHJMBSV-MSOLQXFVSA-N 0 3 351.535 3.262 20 30 FGEDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000173208535 496593774 /nfs/dbraw/zinc/59/37/74/496593774.db2.gz QUGLRAQKNCAFBD-IRXDYDNUSA-N 0 3 365.481 3.254 20 30 FGEDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1C#N ZINC000173208716 496594300 /nfs/dbraw/zinc/59/43/00/496594300.db2.gz ZUTZWXMASYNZGH-HZPDHXFCSA-N 0 3 359.433 3.422 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccsc1Cl)C(C)C ZINC000187894843 496611477 /nfs/dbraw/zinc/61/14/77/496611477.db2.gz FNEOVEHSYRYGLM-CQSZACIVSA-N 0 3 369.918 3.155 20 30 FGEDHN CCC(CC)(CNS(=O)(=O)CC1(C#N)CC1)N[C@@H](C)c1ccccc1 ZINC000165239133 496653204 /nfs/dbraw/zinc/65/32/04/496653204.db2.gz WDWYXIXFKWTGPE-INIZCTEOSA-N 0 3 363.527 3.119 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1C ZINC000176070409 496670199 /nfs/dbraw/zinc/67/01/99/496670199.db2.gz BIFBHTNZMYDCJK-YPMHNXCESA-N 0 3 352.385 3.106 20 30 FGEDHN N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CNCCC3(F)F)cc2)cc1 ZINC000580880550 505859512 /nfs/dbraw/zinc/85/95/12/505859512.db2.gz UUUHRMSBUQBTKK-KRWDZBQOSA-N 0 3 372.375 3.469 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000191357712 496736307 /nfs/dbraw/zinc/73/63/07/496736307.db2.gz CABPSPYMGGSLRD-TZIWHRDSSA-N 0 3 368.502 3.333 20 30 FGEDHN C(=N/OCc1ccn(C2CCCC2)n1)\c1ccc(N2CCOCC2)cc1 ZINC000268607455 496744921 /nfs/dbraw/zinc/74/49/21/496744921.db2.gz QQSACYSGGMCNRF-RCCKNPSSSA-N 0 3 354.454 3.386 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000191410599 496753632 /nfs/dbraw/zinc/75/36/32/496753632.db2.gz MORYCIUQWKWACB-AWEZNQCLSA-N 0 3 372.498 3.340 20 30 FGEDHN CC(C)N1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000263994861 496782857 /nfs/dbraw/zinc/78/28/57/496782857.db2.gz WYFHFJSGWAIYLC-UHFFFAOYSA-N 0 3 352.385 3.108 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(OCC(=O)NCC)c2)cc1 ZINC000268811319 496793000 /nfs/dbraw/zinc/79/30/00/496793000.db2.gz UBRKCYRTEXGLJO-KRWDZBQOSA-N 0 3 366.461 3.064 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(Cl)cccc2OC)CC1 ZINC000188681538 496875090 /nfs/dbraw/zinc/87/50/90/496875090.db2.gz CVGCPQAHFJDXTK-UHFFFAOYSA-N 0 3 351.878 3.188 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000264360772 496881715 /nfs/dbraw/zinc/88/17/15/496881715.db2.gz DMPUGISVZTVHCM-ZDUSSCGKSA-N 0 3 353.413 3.299 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)nn2Cc2ccccc2)CC1 ZINC000264408807 496894446 /nfs/dbraw/zinc/89/44/46/496894446.db2.gz OBYDDSDJSXEOFB-UHFFFAOYSA-N 0 3 353.470 3.012 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000264530324 496921311 /nfs/dbraw/zinc/92/13/11/496921311.db2.gz RDOWPXKJKLAEKW-OAHLLOKOSA-N 0 3 354.450 3.272 20 30 FGEDHN CC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000269838248 497010897 /nfs/dbraw/zinc/01/08/97/497010897.db2.gz LKUOZLCZCYITGS-UHFFFAOYSA-N 0 3 364.449 3.357 20 30 FGEDHN CN(C)Cc1ccc(C(N)=NOCc2nc(C(F)(F)F)cs2)cc1 ZINC000269868029 497014739 /nfs/dbraw/zinc/01/47/39/497014739.db2.gz UBYZYBQEELRIJE-UHFFFAOYSA-N 0 3 358.389 3.061 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000248453655 497016841 /nfs/dbraw/zinc/01/68/41/497016841.db2.gz ZEBVMLYANPFHEV-HZPDHXFCSA-N 0 3 364.371 3.144 20 30 FGEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC000274141479 497026437 /nfs/dbraw/zinc/02/64/37/497026437.db2.gz GYSIZNACJONISC-NRFANRHFSA-N 0 3 371.481 3.422 20 30 FGEDHN CC[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(C#N)cc1 ZINC000278196744 497034076 /nfs/dbraw/zinc/03/40/76/497034076.db2.gz FYIPNZLGXLRDBQ-OXQOHEQNSA-N 0 3 350.466 3.419 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000192272650 497057837 /nfs/dbraw/zinc/05/78/37/497057837.db2.gz DCVNNCAORICMMX-UHFFFAOYSA-N 0 3 355.663 3.386 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000227265298 497087864 /nfs/dbraw/zinc/08/78/64/497087864.db2.gz XWGIZYZUEWTWLJ-UWVAXJGDSA-N 0 3 357.498 3.198 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000248725690 497089230 /nfs/dbraw/zinc/08/92/30/497089230.db2.gz CUGMYPOWZCKDOB-MGPUTAFESA-N 0 3 366.440 3.017 20 30 FGEDHN CC[C@H](C)[N-]C(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccccc1 ZINC000278390759 497099358 /nfs/dbraw/zinc/09/93/58/497099358.db2.gz ZZGLNVZQFJMQAR-AWEZNQCLSA-O 0 3 371.482 3.088 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000278541758 497148976 /nfs/dbraw/zinc/14/89/76/497148976.db2.gz CQAYJICUQMYHFI-NHCUHLMSSA-N 0 3 372.509 3.005 20 30 FGEDHN C[C@@H](Cc1ccc(O)cc1)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192625486 497166619 /nfs/dbraw/zinc/16/66/19/497166619.db2.gz SIOBZURXXCVLNY-HRAATJIYSA-N 0 3 363.461 3.322 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCc2ccccc2)cc1 ZINC000278683453 497188622 /nfs/dbraw/zinc/18/86/22/497188622.db2.gz RVDUMRJNACVMJU-HNNXBMFYSA-N 0 3 371.462 3.127 20 30 FGEDHN COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1[O-] ZINC000271197608 497288045 /nfs/dbraw/zinc/28/80/45/497288045.db2.gz VALPZZZZAOWUCX-UHFFFAOYSA-N 0 3 365.433 3.123 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000193265923 497337359 /nfs/dbraw/zinc/33/73/59/497337359.db2.gz MWVAWVGIWRLWPZ-OAHLLOKOSA-N 0 3 359.364 3.388 20 30 FGEDHN COc1ccc(C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279196480 497363676 /nfs/dbraw/zinc/36/36/76/497363676.db2.gz AFRGESFSSVITSR-SFHVURJKSA-N 0 3 361.445 3.343 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCOCc2ccccc2)cc1 ZINC000279335619 497409381 /nfs/dbraw/zinc/40/93/81/497409381.db2.gz PDUUVYMJLBXSAL-OAQYLSRUSA-N 0 3 361.445 3.354 20 30 FGEDHN CC(C)[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CCS1 ZINC000279357964 497417414 /nfs/dbraw/zinc/41/74/14/497417414.db2.gz GXQAAPNRXCQHKY-GOSISDBHSA-N 0 3 355.511 3.432 20 30 FGEDHN Cc1ccn2cc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)nc2c1 ZINC000271814011 497458733 /nfs/dbraw/zinc/45/87/33/497458733.db2.gz BGRAAIGXUXVVJP-UHFFFAOYSA-N 0 3 359.477 3.269 20 30 FGEDHN C#CCCCC(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000190430211 497477013 /nfs/dbraw/zinc/47/70/13/497477013.db2.gz FSIQFJZXKXPDKB-LJQANCHMSA-N 0 3 350.466 3.381 20 30 FGEDHN Cc1ccc([C@H](CN[C@H](C)c2ccc(C#N)c(F)c2)N2CCOCC2)o1 ZINC000271955659 497495926 /nfs/dbraw/zinc/49/59/26/497495926.db2.gz SEYDRYNCWMGHMK-BEFAXECRSA-N 0 3 357.429 3.323 20 30 FGEDHN COC(=O)CC1(NCc2ccc(OC)c(OCCCC#N)c2)CCCC1 ZINC000279756551 497532127 /nfs/dbraw/zinc/53/21/27/497532127.db2.gz ZGARBXLHOREFPV-UHFFFAOYSA-N 0 3 360.454 3.343 20 30 FGEDHN CC(C)C(=O)Nc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279770626 497536588 /nfs/dbraw/zinc/53/65/88/497536588.db2.gz SROQKEHYDVGVTA-LJQANCHMSA-N 0 3 374.444 3.151 20 30 FGEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)cc1 ZINC000190603898 497542230 /nfs/dbraw/zinc/54/22/30/497542230.db2.gz PEDGLORWLPTHPB-LEWJYISDSA-N 0 3 363.461 3.409 20 30 FGEDHN C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000279846451 497562006 /nfs/dbraw/zinc/56/20/06/497562006.db2.gz APLTXIHKKWHICL-ZLGUVYLKSA-N 0 3 360.461 3.048 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000246077564 497613643 /nfs/dbraw/zinc/61/36/43/497613643.db2.gz SXIBMILJEHSCGZ-RBUKOAKNSA-N 0 3 350.418 3.200 20 30 FGEDHN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1[O-] ZINC000280062274 497635853 /nfs/dbraw/zinc/63/58/53/497635853.db2.gz KMPWRJYTDRQUJI-WOJBJXKFSA-N 0 3 363.461 3.414 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000575096991 505919870 /nfs/dbraw/zinc/91/98/70/505919870.db2.gz MUPPSXKWOSQORF-ICSRJNTNSA-N 0 3 368.868 3.185 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000272527458 497653164 /nfs/dbraw/zinc/65/31/64/497653164.db2.gz ZEDHTFFGCXAIAX-XHDPSFHLSA-N 0 3 352.360 3.135 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCC#N)c2)CN1Cc1ccccc1 ZINC000268117688 497680896 /nfs/dbraw/zinc/68/08/96/497680896.db2.gz FCHVFAZYXHBKND-APWZRJJASA-N 0 3 364.449 3.373 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 ZINC000268386157 497738304 /nfs/dbraw/zinc/73/83/04/497738304.db2.gz KUFKPBUHBKFTSI-UHFFFAOYSA-N 0 3 364.493 3.195 20 30 FGEDHN C[C@H]1CC(O)C[C@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000191266172 497761959 /nfs/dbraw/zinc/76/19/59/497761959.db2.gz LYWFSGMKXORSOC-STQMWFEESA-N 0 3 361.511 3.061 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000268541581 497776132 /nfs/dbraw/zinc/77/61/32/497776132.db2.gz ZMUWWYNMECFDJJ-WMLDXEAASA-N 0 3 351.410 3.184 20 30 FGEDHN CC(C)(C)[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS1 ZINC000277237735 497785118 /nfs/dbraw/zinc/78/51/18/497785118.db2.gz MWUCJLWXPCQZGB-BZSNNMDCSA-N 0 3 357.523 3.169 20 30 FGEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000246685904 497800105 /nfs/dbraw/zinc/80/01/05/497800105.db2.gz MROBYJOGKNSGDP-ICSRJNTNSA-N 0 3 355.482 3.050 20 30 FGEDHN CO[C@@]1(C)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000280598495 497821924 /nfs/dbraw/zinc/82/19/24/497821924.db2.gz UXRLWJVKULAFPX-JXFKEZNVSA-N 0 3 361.461 3.352 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329572076 497832750 /nfs/dbraw/zinc/83/27/50/497832750.db2.gz MXIXNPAXASZPLZ-GGBBIFEXSA-N 0 3 360.454 3.228 20 30 FGEDHN O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@H](n2cccn2)C1 ZINC000329611727 497845382 /nfs/dbraw/zinc/84/53/82/497845382.db2.gz JVEWTCJDIBKXKV-SFHVURJKSA-N 0 3 359.518 3.090 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(O)c(OC)cc1Br ZINC000280677250 497853209 /nfs/dbraw/zinc/85/32/09/497853209.db2.gz MVRJTNKBUATPTM-ZBEGNZNMSA-N 0 3 356.260 3.234 20 30 FGEDHN COc1cc(CN(CCC(=O)Nc2ccccc2C#N)C2CC2)ccc1O ZINC000299588132 497859431 /nfs/dbraw/zinc/85/94/31/497859431.db2.gz IBFMCFJQRQAMMP-UHFFFAOYSA-N 0 3 365.433 3.266 20 30 FGEDHN Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3CCCCN3C[C@H]2C)c(C)c1 ZINC000329663137 497862078 /nfs/dbraw/zinc/86/20/78/497862078.db2.gz PTAAZXBYKLOLJU-SJORKVTESA-N 0 3 358.486 3.364 20 30 FGEDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000296033521 497897940 /nfs/dbraw/zinc/89/79/40/497897940.db2.gz MRAXLFNXLZKQNU-SJORKVTESA-N 0 3 374.554 3.435 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284798736 497904571 /nfs/dbraw/zinc/90/45/71/497904571.db2.gz VXWUQBZUAURADI-NRFANRHFSA-N 0 3 360.498 3.005 20 30 FGEDHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC[C@@H](C)N(C)C1CC1)CC2 ZINC000329808757 497908984 /nfs/dbraw/zinc/90/89/84/497908984.db2.gz PONSSILEKQYXMG-ZYHUDNBSSA-N 0 3 370.419 3.348 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(C(=O)c3cccs3)CC2)CC1 ZINC000364370186 497923897 /nfs/dbraw/zinc/92/38/97/497923897.db2.gz DPTNUUBGWRTTEC-UHFFFAOYSA-N 0 3 361.511 3.003 20 30 FGEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000329935251 497959493 /nfs/dbraw/zinc/95/94/93/497959493.db2.gz CKRZOZQCKZHRAA-HOTGVXAUSA-N 0 3 361.511 3.326 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000330062019 498008595 /nfs/dbraw/zinc/00/85/95/498008595.db2.gz ALGPMEZFBLUQME-FHLIZLRMSA-N 0 3 353.470 3.126 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccnc(C(=O)NCc3ccccc3)c2)CC1 ZINC000301261243 498026334 /nfs/dbraw/zinc/02/63/34/498026334.db2.gz VAVUCXIRROODFW-UHFFFAOYSA-N 0 3 364.493 3.464 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000330144476 498038434 /nfs/dbraw/zinc/03/84/34/498038434.db2.gz KQSSUQTVZYVRBE-XHSDSOJGSA-N 0 3 361.486 3.112 20 30 FGEDHN CC(C)(CNC(=O)N[C@H]1CCOC2(CCC2)C1)N1CCc2ccccc2C1 ZINC000330222358 498067961 /nfs/dbraw/zinc/06/79/61/498067961.db2.gz RTHWHTLKJRQLIM-IBGZPJMESA-N 0 3 371.525 3.429 20 30 FGEDHN Cc1noc(C)c1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000330264140 498085134 /nfs/dbraw/zinc/08/51/34/498085134.db2.gz XNTODYJPVYNWNF-ZIAGYGMSSA-N 0 3 364.490 3.048 20 30 FGEDHN C#Cc1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000289286671 498092463 /nfs/dbraw/zinc/09/24/63/498092463.db2.gz PFKCPUGQKAFPDQ-ROUUACIJSA-N 0 3 362.473 3.207 20 30 FGEDHN O=C(NCc1ccccc1CN1CCCCC1)c1cc2n(n1)CCCO2 ZINC000330359574 498118951 /nfs/dbraw/zinc/11/89/51/498118951.db2.gz WESQUIOBMVPFKV-UHFFFAOYSA-N 0 3 354.454 3.156 20 30 FGEDHN C[C@H]1CN(CCCCNc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000301544369 498156792 /nfs/dbraw/zinc/15/67/92/498156792.db2.gz DGLAUWYXTUIYTO-STQMWFEESA-N 0 3 356.392 3.273 20 30 FGEDHN C=C(C)CN1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301570787 498168045 /nfs/dbraw/zinc/16/80/45/498168045.db2.gz WTHPWWVPONBXEN-UHFFFAOYSA-N 0 3 355.236 3.205 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)nc1 ZINC000301600764 498181444 /nfs/dbraw/zinc/18/14/44/498181444.db2.gz VCRSMACBVSMBFT-XLIONFOSSA-N 0 3 364.493 3.320 20 30 FGEDHN CC1(C#N)CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000330785053 498194232 /nfs/dbraw/zinc/19/42/32/498194232.db2.gz SVCSCPFENPXOTF-UHFFFAOYSA-N 0 3 350.260 3.403 20 30 FGEDHN CC(=O)Nc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c(Cl)c1 ZINC000330799104 498195877 /nfs/dbraw/zinc/19/58/77/498195877.db2.gz YKVHWMURBGJWEY-LLVKDONJSA-N 0 3 350.850 3.275 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000281592412 498206086 /nfs/dbraw/zinc/20/60/86/498206086.db2.gz VPNQLKWHYGOWGO-SAABIXHNSA-N 0 3 364.411 3.413 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C)C2(CCCCC2)C1 ZINC000569705634 505998116 /nfs/dbraw/zinc/99/81/16/505998116.db2.gz BEZOHNAAUIKNDM-LJQANCHMSA-N 0 3 368.525 3.272 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cccc(C(=O)NC4CC4)c3)CC2)cc1 ZINC000285914611 498239335 /nfs/dbraw/zinc/23/93/35/498239335.db2.gz DMCAHRGLABJYAW-UHFFFAOYSA-N 0 3 374.488 3.209 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000581495856 506001930 /nfs/dbraw/zinc/00/19/30/506001930.db2.gz TXFUSGGXWZTMGS-ABSDTBQOSA-N 0 3 363.461 3.105 20 30 FGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)Nc1cccc([S@](C)=O)c1 ZINC000331278247 498291793 /nfs/dbraw/zinc/29/17/93/498291793.db2.gz GSLHCPYLSAVEPV-GYCJOSAFSA-N 0 3 351.516 3.260 20 30 FGEDHN N#CC1(CCCN2CCN(c3ccc4ccccc4n3)CC2)CCOCC1 ZINC000281927763 498321588 /nfs/dbraw/zinc/32/15/88/498321588.db2.gz HRRRIZWTWNEHPT-UHFFFAOYSA-N 0 3 364.493 3.457 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281961102 498334791 /nfs/dbraw/zinc/33/47/91/498334791.db2.gz GEDPFIYVVRPVGH-ICSRJNTNSA-N 0 3 350.466 3.004 20 30 FGEDHN CN(C)CCN(Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(C#N)cc1 ZINC000289910894 498348270 /nfs/dbraw/zinc/34/82/70/498348270.db2.gz VAYDMNRKAUMIRT-IBGZPJMESA-N 0 3 370.522 3.430 20 30 FGEDHN CN1CC=C(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289933231 498358747 /nfs/dbraw/zinc/35/87/47/498358747.db2.gz VFLWHPJENZKCKA-UHFFFAOYSA-N 0 3 363.421 3.129 20 30 FGEDHN N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000572701361 506032274 /nfs/dbraw/zinc/03/22/74/506032274.db2.gz DFUOMCZWOJIUKV-OAHLLOKOSA-N 0 3 368.403 3.053 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000297617960 498513648 /nfs/dbraw/zinc/51/36/48/498513648.db2.gz HBMIARSRSVQDEK-LZNRXBQRSA-N 0 3 351.494 3.487 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000302622392 498519308 /nfs/dbraw/zinc/51/93/08/498519308.db2.gz DUGIJJAOJVDAPG-AWEZNQCLSA-N 0 3 354.420 3.263 20 30 FGEDHN COc1cc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)ccc1OCCO ZINC000575977408 506047342 /nfs/dbraw/zinc/04/73/42/506047342.db2.gz CORCIGBVOTXIQB-IFXJQAMLSA-N 0 3 352.434 3.276 20 30 FGEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2c(C#N)cccc2C#N)C1 ZINC000302881582 498615022 /nfs/dbraw/zinc/61/50/22/498615022.db2.gz JDIFZTIADFRCJQ-HNNXBMFYSA-N 0 3 351.479 3.153 20 30 FGEDHN N#Cc1ccsc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365744386 498622078 /nfs/dbraw/zinc/62/20/78/498622078.db2.gz WUKNTJIFKHYIBC-MSOLQXFVSA-N 0 3 351.475 3.214 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC1CCOCC1 ZINC000578977126 506066055 /nfs/dbraw/zinc/06/60/55/506066055.db2.gz RLYOYWPUOKEYSL-UHFFFAOYSA-N 0 3 364.559 3.401 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000578981644 506067390 /nfs/dbraw/zinc/06/73/90/506067390.db2.gz QRTXKRGXMDVENN-ZWKOTPCHSA-N 0 3 360.866 3.131 20 30 FGEDHN Cc1cnn([C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000290798129 498682822 /nfs/dbraw/zinc/68/28/22/498682822.db2.gz FBADZAGJFFXCOF-FQEVSTJZSA-N 0 3 360.465 3.416 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3ccsc3)nn2C)CC1 ZINC000576089022 506074308 /nfs/dbraw/zinc/07/43/08/506074308.db2.gz LFYAZZIPMBJQPE-UHFFFAOYSA-N 0 3 359.499 3.311 20 30 FGEDHN C=CCN(Cc1ncc([C@@H](C)O)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366001932 498726541 /nfs/dbraw/zinc/72/65/41/498726541.db2.gz AXZCQDLCSXZADQ-SJLPKXTDSA-N 0 3 357.523 3.459 20 30 FGEDHN CC(C)CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CCN(C)CC1 ZINC000294594318 498741383 /nfs/dbraw/zinc/74/13/83/498741383.db2.gz CZMAJOBMGWJGJO-UHFFFAOYSA-N 0 3 368.403 3.164 20 30 FGEDHN C[C@@]12CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]1C2(F)F ZINC000298353453 498742239 /nfs/dbraw/zinc/74/22/39/498742239.db2.gz SZXZRXPPZYOCFJ-WMLDXEAASA-N 0 3 365.449 3.414 20 30 FGEDHN C=CCOCCCC(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000363279357 498743689 /nfs/dbraw/zinc/74/36/89/498743689.db2.gz YYYZACMEQMJJOA-APWZRJJASA-N 0 3 350.890 3.432 20 30 FGEDHN COc1c(C)cnc(CN(C)CCC(=O)Nc2ccccc2C#N)c1C ZINC000298399030 498758362 /nfs/dbraw/zinc/75/83/62/498758362.db2.gz OQMGKSXBQAQSQC-UHFFFAOYSA-N 0 3 352.438 3.039 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@H]2C1 ZINC000283054803 498760589 /nfs/dbraw/zinc/76/05/89/498760589.db2.gz RITIGYDLAGNGJL-FZMZJTMJSA-N 0 3 368.359 3.015 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000283054796 498761040 /nfs/dbraw/zinc/76/10/40/498761040.db2.gz RITIGYDLAGNGJL-BXUZGUMPSA-N 0 3 368.359 3.015 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000287460020 498765294 /nfs/dbraw/zinc/76/52/94/498765294.db2.gz XOQHAWPOWSOPGC-FZKQIMNGSA-N 0 3 369.446 3.181 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1 ZINC000287544134 498793064 /nfs/dbraw/zinc/79/30/64/498793064.db2.gz JIKFFMYFIAENHN-BBRMVZONSA-N 0 3 361.467 3.217 20 30 FGEDHN Cc1c(CNC[C@@H](O)COc2ccc(CC#N)cc2)oc2ccccc12 ZINC000572953625 506091933 /nfs/dbraw/zinc/09/19/33/506091933.db2.gz NKTIJOFZGXQDAF-QGZVFWFLSA-N 0 3 350.418 3.337 20 30 FGEDHN C=CCc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)cc(OC)c1O ZINC000291157285 498820828 /nfs/dbraw/zinc/82/08/28/498820828.db2.gz BZARDWOFPKQRBU-JOCHJYFZSA-N 0 3 353.462 3.265 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[C@H](C)C1 ZINC000298596939 498824357 /nfs/dbraw/zinc/82/43/57/498824357.db2.gz SDLPGHJJSRWOGJ-LSDHHAIUSA-N 0 3 374.554 3.099 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccccc2C(F)(F)F)cc1 ZINC000327337712 498856181 /nfs/dbraw/zinc/85/61/81/498856181.db2.gz FVCVLVMKCBKNKF-OAHLLOKOSA-N 0 3 350.340 3.107 20 30 FGEDHN C[C@@H]1C[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC000328621685 498879852 /nfs/dbraw/zinc/87/98/52/498879852.db2.gz XSQFXIPNOLNKCP-MSOLQXFVSA-N 0 3 351.535 3.351 20 30 FGEDHN C=CCOc1ccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC000570184414 506110138 /nfs/dbraw/zinc/11/01/38/506110138.db2.gz HQUZZGPKUMSSSN-UHFFFAOYSA-N 0 3 353.422 3.055 20 30 FGEDHN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000328722541 498915481 /nfs/dbraw/zinc/91/54/81/498915481.db2.gz ABIJHFWYVAIHMA-GOEBONIOSA-N 0 3 362.470 3.429 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cn4c(n3)CCCC4)c2)CC1 ZINC000328731542 498918941 /nfs/dbraw/zinc/91/89/41/498918941.db2.gz WYFSLEHLNMZWNF-UHFFFAOYSA-N 0 3 367.497 3.386 20 30 FGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000366422922 498920031 /nfs/dbraw/zinc/92/00/31/498920031.db2.gz SXIJAILGROJZKA-DLBZAZTESA-N 0 3 363.502 3.028 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCN1Cc1ccccc1 ZINC000328842020 498958346 /nfs/dbraw/zinc/95/83/46/498958346.db2.gz PZDHCMITAXJBOW-HUYLIWGRSA-N 0 3 357.498 3.111 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccc(Cl)cc1 ZINC000576285013 506121370 /nfs/dbraw/zinc/12/13/70/506121370.db2.gz ROIRYBNDFOJQPU-MRXNPFEDSA-N 0 3 373.859 3.355 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000573111959 506121616 /nfs/dbraw/zinc/12/16/16/506121616.db2.gz XHTWDDFHEQBSCD-IERDGZPVSA-N 0 3 372.415 3.438 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291529285 498979168 /nfs/dbraw/zinc/97/91/68/498979168.db2.gz NFZVUUKOTXWLNF-QAPCUYQASA-N 0 3 350.374 3.200 20 30 FGEDHN CN1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)[C@@H]1c1ccccc1 ZINC000328977757 499003849 /nfs/dbraw/zinc/00/38/49/499003849.db2.gz WTYZVHVRRDCTOA-GNBUJSLZSA-N 0 3 370.497 3.177 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CC[C@@H](O)CC23CCC3)sc2c1CCCC2 ZINC000333515585 499022049 /nfs/dbraw/zinc/02/20/49/499022049.db2.gz JTGFONNRJDVACY-CQSZACIVSA-N 0 3 373.522 3.207 20 30 FGEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000329049700 499027117 /nfs/dbraw/zinc/02/71/17/499027117.db2.gz QWWRAWGKAKWOMP-AKHDSKFASA-N 0 3 368.481 3.383 20 30 FGEDHN C[C@H](NC(=O)N1CCCC12CCN(C)CC2)c1noc(-c2ccccc2)n1 ZINC000329074101 499033515 /nfs/dbraw/zinc/03/35/15/499033515.db2.gz PBUDVSMIYHYZMJ-HNNXBMFYSA-N 0 3 369.469 3.272 20 30 FGEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000329079328 499036368 /nfs/dbraw/zinc/03/63/68/499036368.db2.gz QVAAJTXWQDGUFZ-SJORKVTESA-N 0 3 364.534 3.384 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000333771916 499075368 /nfs/dbraw/zinc/07/53/68/499075368.db2.gz RNSHLOJLLZTIQM-VWPQPMDRSA-N 0 3 366.509 3.376 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)[C@@H]2C1 ZINC000329270415 499088537 /nfs/dbraw/zinc/08/85/37/499088537.db2.gz HMXSAJVCPIECOE-FZKQIMNGSA-N 0 3 360.889 3.304 20 30 FGEDHN C[C@H](NC(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1)C1=CCN(C)CC1 ZINC000329294315 499092535 /nfs/dbraw/zinc/09/25/35/499092535.db2.gz JQEBHPZWJSDDAE-HOCLYGCPSA-N 0 3 350.507 3.018 20 30 FGEDHN CC(C)(C)OC(=O)N1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC000366848299 499093416 /nfs/dbraw/zinc/09/34/16/499093416.db2.gz VWELKZIBKHHINX-UHFFFAOYSA-N 0 3 351.491 3.030 20 30 FGEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329299177 499093569 /nfs/dbraw/zinc/09/35/69/499093569.db2.gz LUGFWBDPSAZDMX-KXBFYZLASA-N 0 3 367.497 3.344 20 30 FGEDHN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329321002 499098930 /nfs/dbraw/zinc/09/89/30/499098930.db2.gz JAMCXYQAJHLDPF-YWZLYKJASA-N 0 3 355.482 3.129 20 30 FGEDHN Cc1cc(=O)c(C(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)cn1C1CC1 ZINC000329381309 499112177 /nfs/dbraw/zinc/11/21/77/499112177.db2.gz NYCIFGOUAVBKOV-HZPDHXFCSA-N 0 3 357.498 3.449 20 30 FGEDHN COc1cc(CN2CCC(c3nnc4cc(C)ccn43)CC2)ccc1C#N ZINC000367028481 499135972 /nfs/dbraw/zinc/13/59/72/499135972.db2.gz FXXAINDYJUYMDP-UHFFFAOYSA-N 0 3 361.449 3.298 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000576330451 506132332 /nfs/dbraw/zinc/13/23/32/506132332.db2.gz UHEVIAWZSRCUEJ-NRFANRHFSA-N 0 3 360.461 3.143 20 30 FGEDHN COc1cc(CN[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)ccc1C#N ZINC000367098236 499148251 /nfs/dbraw/zinc/14/82/51/499148251.db2.gz FKRXMWFHHGFKEX-HNAYVOBHSA-N 0 3 355.463 3.080 20 30 FGEDHN CCO[C@H](C)c1noc(CN2CCCN(CC(C)(C)CCC#N)CC2)n1 ZINC000372602058 499152417 /nfs/dbraw/zinc/15/24/17/499152417.db2.gz UAVIRZKEXORYPE-MRXNPFEDSA-N 0 3 363.506 3.005 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000369964967 499158711 /nfs/dbraw/zinc/15/87/11/499158711.db2.gz OZFYXCFBWSOISO-IBGZPJMESA-N 0 3 357.498 3.054 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367212805 499162502 /nfs/dbraw/zinc/16/25/02/499162502.db2.gz KPWHAIOUQVSIEP-SFHVURJKSA-N 0 3 367.449 3.062 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@]23CCOC3)sc2c1CCCC2 ZINC000367446796 499199624 /nfs/dbraw/zinc/19/96/24/499199624.db2.gz GZMZGPNJNFAYKV-LJQANCHMSA-N 0 3 359.495 3.082 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000367611336 499217604 /nfs/dbraw/zinc/21/76/04/499217604.db2.gz BRUZOZKGBMOVFX-BPQIPLTHSA-N 0 3 369.490 3.499 20 30 FGEDHN C[C@@H](NC(=O)NCCN(C)C1CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370567356 499232211 /nfs/dbraw/zinc/23/22/11/499232211.db2.gz BPHGVJCEAVSHHP-CYBMUJFWSA-N 0 3 369.494 3.136 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ncoc2-c2ccccc2)CC1 ZINC000370570826 499232614 /nfs/dbraw/zinc/23/26/14/499232614.db2.gz WQSZTXDCWLTSTM-UHFFFAOYSA-N 0 3 354.454 3.181 20 30 FGEDHN Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@H](C)c2ccc(C#N)s2)oc1C ZINC000368104159 499264599 /nfs/dbraw/zinc/26/45/99/499264599.db2.gz BVYKBIVFSAPPFJ-SNPRPXQTSA-N 0 3 362.474 3.488 20 30 FGEDHN CC(C)(CCC#N)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000371418758 499323950 /nfs/dbraw/zinc/32/39/50/499323950.db2.gz GIFHOAUMSIINAT-UHFFFAOYSA-N 0 3 369.465 3.242 20 30 FGEDHN C=CC[C@H](C(=O)N1CCC(N2CCN(CCC)CC2)CC1)c1ccccc1 ZINC000368800276 499333927 /nfs/dbraw/zinc/33/39/27/499333927.db2.gz MUPIGFZNRIPDMF-QFIPXVFZSA-N 0 3 369.553 3.365 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000371507534 499336027 /nfs/dbraw/zinc/33/60/27/499336027.db2.gz BBBWWBBJDJKTSP-JOCHJYFZSA-N 0 3 363.461 3.264 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000371597079 499345992 /nfs/dbraw/zinc/34/59/92/499345992.db2.gz NBMQLQKZCQHNSG-FQEVSTJZSA-N 0 3 368.456 3.260 20 30 FGEDHN CC(=O)c1ccc2c(c1)CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000369094630 499364997 /nfs/dbraw/zinc/36/49/97/499364997.db2.gz KZYLOZFMNCYDGR-JOCHJYFZSA-N 0 3 371.440 3.071 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC2CC(c3ccccc3OC)C2)CC1 ZINC000369143754 499370341 /nfs/dbraw/zinc/37/03/41/499370341.db2.gz NSEDWSKXNMSGLK-UHFFFAOYSA-N 0 3 357.498 3.281 20 30 FGEDHN COc1cc2c(cc1OC)CCN(CCCC1(C#N)CCOCC1)CC2 ZINC000369193696 499376044 /nfs/dbraw/zinc/37/60/44/499376044.db2.gz MGHGGUUAVAVQOG-UHFFFAOYSA-N 0 3 358.482 3.205 20 30 FGEDHN Cc1cc(NC(=O)C2(C#N)CCC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000372086388 499397549 /nfs/dbraw/zinc/39/75/49/499397549.db2.gz VXANQSKPQVJPRW-GOSISDBHSA-N 0 3 363.465 3.271 20 30 FGEDHN Cc1cc(NC(=O)C2(C#N)CCC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000372086389 499397690 /nfs/dbraw/zinc/39/76/90/499397690.db2.gz VXANQSKPQVJPRW-SFHVURJKSA-N 0 3 363.465 3.271 20 30 FGEDHN C=CCCCCNC(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000369505314 499410319 /nfs/dbraw/zinc/41/03/19/499410319.db2.gz XTOSGORIANWEDA-PKOBYXMFSA-N 0 3 361.534 3.191 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369568560 499419823 /nfs/dbraw/zinc/41/98/23/499419823.db2.gz LRDXIPCKLPFJAE-QOKNQOGYSA-N 0 3 369.490 3.196 20 30 FGEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000369606894 499425738 /nfs/dbraw/zinc/42/57/38/499425738.db2.gz JASLGUBVABXOSB-GUDVDZBRSA-N 0 3 351.535 3.264 20 30 FGEDHN Cc1cc(OCCN2CCC(n3cnc(C#N)n3)CC2)ccc1C(C)C ZINC000373405784 499467816 /nfs/dbraw/zinc/46/78/16/499467816.db2.gz PCZOMVPHDCJJRY-UHFFFAOYSA-N 0 3 353.470 3.298 20 30 FGEDHN C#CCCCC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373788700 499487951 /nfs/dbraw/zinc/48/79/51/499487951.db2.gz TVFKBKKGZAMOQF-LJQANCHMSA-N 0 3 350.466 3.381 20 30 FGEDHN C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000375381338 499512308 /nfs/dbraw/zinc/51/23/08/499512308.db2.gz SDSXISMZNRVGPN-WMLDXEAASA-N 0 3 366.431 3.039 20 30 FGEDHN Cc1ncc(CN2CC[C@H](NCc3cc(C#N)ccc3F)[C@@H](C)C2)s1 ZINC000375514371 499527468 /nfs/dbraw/zinc/52/74/68/499527468.db2.gz NPVVRZQOUQRIGE-DJJJIMSYSA-N 0 3 358.486 3.463 20 30 FGEDHN C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1=CCN(C)CC1 ZINC000378584951 499534395 /nfs/dbraw/zinc/53/43/95/499534395.db2.gz VASDCMNCTHVYGS-INIZCTEOSA-N 0 3 350.466 3.007 20 30 FGEDHN CC(C)n1ncc2c1[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000375668408 499543262 /nfs/dbraw/zinc/54/32/62/499543262.db2.gz GEHQBMGXXPHNJR-MOPGFXCFSA-N 0 3 361.449 3.212 20 30 FGEDHN Cc1ccc(OC2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)nc1 ZINC000375682903 499544845 /nfs/dbraw/zinc/54/48/45/499544845.db2.gz MALVSYNUXXKFIX-IBGZPJMESA-N 0 3 374.444 3.014 20 30 FGEDHN N#CC1(CCCN2CCCC[C@H]2COC(=O)N2CCCC2)CCOCC1 ZINC000375765766 499553581 /nfs/dbraw/zinc/55/35/81/499553581.db2.gz XQBPZAYUPSVNPO-SFHVURJKSA-N 0 3 363.502 3.174 20 30 FGEDHN C=CCC[C@H](NC[C@@H]1CCCN(c2nccn3cnnc23)C1)c1ccco1 ZINC000375787116 499555712 /nfs/dbraw/zinc/55/57/12/499555712.db2.gz FZGYPAPYLUJNFE-IRXDYDNUSA-N 0 3 366.469 3.231 20 30 FGEDHN C#CCOc1ccc(CN2CCC[C@H](c3ccnc(COC)n3)C2)cc1 ZINC000375848788 499562168 /nfs/dbraw/zinc/56/21/68/499562168.db2.gz LOZFVEZUWUJAPI-SFHVURJKSA-N 0 3 351.450 3.015 20 30 FGEDHN N#Cc1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000404197176 499570156 /nfs/dbraw/zinc/57/01/56/499570156.db2.gz OBGDAIXSMITRQC-YADHBBJMSA-N 0 3 365.452 3.173 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc(C#N)ccc1Cl ZINC000376001654 499575226 /nfs/dbraw/zinc/57/52/26/499575226.db2.gz YXJKQUNIDKYYTQ-LPHOPBHVSA-N 0 3 368.868 3.372 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000376628014 499624467 /nfs/dbraw/zinc/62/44/67/499624467.db2.gz IHHYHNGLMDSLCP-CQSZACIVSA-N 0 3 361.467 3.170 20 30 FGEDHN Cc1ccccc1[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000376753685 499633556 /nfs/dbraw/zinc/63/35/56/499633556.db2.gz OYTCJOVXLDINDS-FPOVZHCZSA-N 0 3 359.429 3.149 20 30 FGEDHN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)C(C)C#N)c(Br)c1 ZINC000410104024 499641945 /nfs/dbraw/zinc/64/19/45/499641945.db2.gz PQWUQFONOTZHME-ZFWWWQNUSA-N 0 3 365.271 3.425 20 30 FGEDHN C#CCC(CC#C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376889304 499643850 /nfs/dbraw/zinc/64/38/50/499643850.db2.gz RFRUTKFVPUPPIX-OAQYLSRUSA-N 0 3 374.488 3.240 20 30 FGEDHN N#CC1(CCCN2CCc3c(cnn3-c3ccccc3)C2)CCOCC1 ZINC000410319529 499654645 /nfs/dbraw/zinc/65/46/45/499654645.db2.gz NMLRKCVBCHYHMX-UHFFFAOYSA-N 0 3 350.466 3.331 20 30 FGEDHN COc1cccc([C@H](C)N2CCN(CCCC3(C#N)CCOCC3)CC2)c1 ZINC000410343307 499656295 /nfs/dbraw/zinc/65/62/95/499656295.db2.gz CAONSMNWNBTMEF-IBGZPJMESA-N 0 3 371.525 3.474 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000377350042 499682147 /nfs/dbraw/zinc/68/21/47/499682147.db2.gz ICZIYNRAZPAEPC-UXHICEINSA-N 0 3 357.498 3.246 20 30 FGEDHN Cc1nc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1C#N ZINC000411045985 499692441 /nfs/dbraw/zinc/69/24/41/499692441.db2.gz DOXHIPVVPNJAFI-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000576434887 506156909 /nfs/dbraw/zinc/15/69/09/506156909.db2.gz QMBBUYFNSRZBRT-HOTGVXAUSA-N 0 3 373.476 3.101 20 30 FGEDHN Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)ccc1C#N ZINC000412006751 499812092 /nfs/dbraw/zinc/81/20/92/499812092.db2.gz CZKQBYMJMSGYTG-OAQYLSRUSA-N 0 3 350.462 3.487 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412562643 499863859 /nfs/dbraw/zinc/86/38/59/499863859.db2.gz XQPTZDZFOOBWIS-UHFFFAOYSA-N 0 3 371.460 3.186 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000412901814 499895015 /nfs/dbraw/zinc/89/50/15/499895015.db2.gz YSTYOTDIWMOQGB-FGTMMUONSA-N 0 3 353.466 3.339 20 30 FGEDHN N#CCc1ccc(NC(=O)NC[C@H]2NCCc3ccccc32)c(Cl)c1 ZINC000415791344 499919177 /nfs/dbraw/zinc/91/91/77/499919177.db2.gz UODMFGAHZQMQCY-GOSISDBHSA-N 0 3 354.841 3.415 20 30 FGEDHN CC(C)Cc1c[nH]c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000413170606 499922154 /nfs/dbraw/zinc/92/21/54/499922154.db2.gz CAKFANDZKDRNLZ-UHFFFAOYSA-N 0 3 352.482 3.289 20 30 FGEDHN CNCc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000415915715 499928082 /nfs/dbraw/zinc/92/80/82/499928082.db2.gz ZXEPBNBCTQIEFR-UHFFFAOYSA-N 0 3 364.449 3.353 20 30 FGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C(C)C)[C@H](C)c2ccccc2)CC1 ZINC000428871561 499951819 /nfs/dbraw/zinc/95/18/19/499951819.db2.gz JQULKOBVZPAEKR-TZIWHRDSSA-N 0 3 370.541 3.150 20 30 FGEDHN CN(C)[C@H](CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N)c1ccccc1 ZINC000416225225 499986205 /nfs/dbraw/zinc/98/62/05/499986205.db2.gz SCBGAUVQPNAPTN-SFHLNBCPSA-N 0 3 355.482 3.133 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@@H](NCc3ccc(C#N)c(F)c3)C2)c1 ZINC000421362515 500026850 /nfs/dbraw/zinc/02/68/50/500026850.db2.gz JGAWJCMLOGQDRP-MRXNPFEDSA-N 0 3 355.413 3.083 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1NCc1ccccc1CN1CCC(O)CC1 ZINC000425236566 500052652 /nfs/dbraw/zinc/05/26/52/500052652.db2.gz QGGMRNADXPAKBQ-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN N#CC1(c2ccc(C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)cc2)CC1 ZINC000582277739 506174215 /nfs/dbraw/zinc/17/42/15/506174215.db2.gz WJFMLNUAMUPILQ-HXUWFJFHSA-N 0 3 361.445 3.061 20 30 FGEDHN CC(C)(CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)N1CCCCC1 ZINC000416680461 500084454 /nfs/dbraw/zinc/08/44/54/500084454.db2.gz IDVJKBMMGADSMB-IBGZPJMESA-N 0 3 354.498 3.499 20 30 FGEDHN C=CCC1(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000425523509 500132338 /nfs/dbraw/zinc/13/23/38/500132338.db2.gz ZCKINWJOBCUAEH-LJQANCHMSA-N 0 3 356.510 3.482 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000425539774 500137979 /nfs/dbraw/zinc/13/79/79/500137979.db2.gz UOKPWQMDHJXOQM-AWEZNQCLSA-N 0 3 351.406 3.309 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000430032169 500183747 /nfs/dbraw/zinc/18/37/47/500183747.db2.gz BRDWDAHTFANXKS-UHFFFAOYSA-N 0 3 355.463 3.495 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000426034214 500228620 /nfs/dbraw/zinc/22/86/20/500228620.db2.gz HLAOAGLKAQGQID-OAQYLSRUSA-N 0 3 361.445 3.306 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)s1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422214355 500235364 /nfs/dbraw/zinc/23/53/64/500235364.db2.gz GYVBYECPJCUKNJ-QGZVFWFLSA-N 0 3 368.506 3.426 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)NCC#Cc2cccc(F)c2)cc1 ZINC000418152439 500237987 /nfs/dbraw/zinc/23/79/87/500237987.db2.gz HJBKPFNQFKLENG-HXUWFJFHSA-N 0 3 353.441 3.300 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCCNCc1cccnc1 ZINC000418325250 500262130 /nfs/dbraw/zinc/26/21/30/500262130.db2.gz IHCLAWKGPMLPMJ-UHFFFAOYSA-N 0 3 352.482 3.349 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(N(C)C(C)=O)cc1)C(C)C ZINC000426423949 500271225 /nfs/dbraw/zinc/27/12/25/500271225.db2.gz DADFWVWQNMUOTK-FQEVSTJZSA-N 0 3 357.498 3.098 20 30 FGEDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC1(CC#N)CC1 ZINC000430746096 500278985 /nfs/dbraw/zinc/27/89/85/500278985.db2.gz BBUJLZUPTSTMGK-GFCCVEGCSA-N 0 3 350.260 3.450 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418636595 500299409 /nfs/dbraw/zinc/29/94/09/500299409.db2.gz MLSGUEUJXGZRGR-HXUWFJFHSA-N 0 3 353.441 3.410 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@@H](Cc2ccccc2)N(C)C1=O)C(C)C ZINC000430906185 500304631 /nfs/dbraw/zinc/30/46/31/500304631.db2.gz JABLXIQXOOACRF-UXHICEINSA-N 0 3 369.509 3.190 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)CN(Cc2ccc(F)cc2)C1=O)C(C)C ZINC000430909232 500305399 /nfs/dbraw/zinc/30/53/99/500305399.db2.gz ZQPPUBYHBHCHNL-LJQANCHMSA-N 0 3 373.472 3.289 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000427034902 500347063 /nfs/dbraw/zinc/34/70/63/500347063.db2.gz QHUJRDQSQDZRCE-NHCUHLMSSA-N 0 3 359.473 3.423 20 30 FGEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)cc(N2CCCC2)n1 ZINC000427231537 500371290 /nfs/dbraw/zinc/37/12/90/500371290.db2.gz LNJCVVLWKGYNAT-FQEVSTJZSA-N 0 3 362.477 3.379 20 30 FGEDHN CCC(CC)n1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000431803116 500427091 /nfs/dbraw/zinc/42/70/91/500427091.db2.gz WGZTZDILZGMSQZ-UHFFFAOYSA-N 0 3 367.497 3.320 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@H](N)c2ccccc2CC)c(OC)c1 ZINC000423988560 500431057 /nfs/dbraw/zinc/43/10/57/500431057.db2.gz XRJGGSAIKIWXIQ-IBGZPJMESA-N 0 3 368.477 3.181 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)c1ccsc1 ZINC000427909099 500444486 /nfs/dbraw/zinc/44/44/86/500444486.db2.gz QXJLGIPJAMDJPO-HNNXBMFYSA-N 0 3 362.886 3.481 20 30 FGEDHN CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424083057 500449416 /nfs/dbraw/zinc/44/94/16/500449416.db2.gz CGELDWZNFPGBQB-HNNXBMFYSA-N 0 3 352.276 3.207 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000424155647 500461479 /nfs/dbraw/zinc/46/14/79/500461479.db2.gz NIMIPZQHWRIFEH-MRXNPFEDSA-N 0 3 358.829 3.274 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)Cc2ccccc2C(F)(F)F)cc1F ZINC000576630365 506201841 /nfs/dbraw/zinc/20/18/41/506201841.db2.gz OXPBCZYIPBTUCK-OAHLLOKOSA-N 0 3 352.331 3.409 20 30 FGEDHN Cc1ccc(-c2csc(C(C#N)C(=O)c3cc(C(N)=O)cn3C)n2)cc1 ZINC000447238938 500579736 /nfs/dbraw/zinc/57/97/36/500579736.db2.gz POAGVTRVYMRUIN-AWEZNQCLSA-N 0 3 364.430 3.046 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000437138179 500606643 /nfs/dbraw/zinc/60/66/43/500606643.db2.gz PVCJIKTVPKEXAD-HPTYEUTDSA-N 0 3 361.445 3.206 20 30 FGEDHN N#CCCC[C@H](NCC(=O)NCC(=O)c1cccs1)c1ccccc1 ZINC000433023407 500608197 /nfs/dbraw/zinc/60/81/97/500608197.db2.gz PRFUVYFNKHBAIM-INIZCTEOSA-N 0 3 355.463 3.072 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000433028276 500609262 /nfs/dbraw/zinc/60/92/62/500609262.db2.gz BKRSMVCBPILAHM-QGZVFWFLSA-N 0 3 351.406 3.379 20 30 FGEDHN CCN1CCN([C@H](C)CNc2c(C#N)cnc3ccc(C(C)C)cc32)CC1 ZINC000447675024 500642854 /nfs/dbraw/zinc/64/28/54/500642854.db2.gz JOLSKZHUJLQZAD-QGZVFWFLSA-N 0 3 365.525 3.090 20 30 FGEDHN C[C@H](c1cccnc1)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433350459 500678009 /nfs/dbraw/zinc/67/80/09/500678009.db2.gz FQUKKZXLVZDPMA-UYAOXDASSA-N 0 3 362.477 3.059 20 30 FGEDHN Cc1nc(N2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)sc1C ZINC000433366996 500682069 /nfs/dbraw/zinc/68/20/69/500682069.db2.gz STRYEUVPOPHHOX-GOSISDBHSA-N 0 3 368.506 3.181 20 30 FGEDHN CC(C)n1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000570671993 506212580 /nfs/dbraw/zinc/21/25/80/506212580.db2.gz LKZBUEABABOLDE-GOSISDBHSA-N 0 3 350.470 3.071 20 30 FGEDHN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000447926502 500691167 /nfs/dbraw/zinc/69/11/67/500691167.db2.gz MJNBYGRTOKDWKA-IERDGZPVSA-N 0 3 354.425 3.239 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000437787791 500695784 /nfs/dbraw/zinc/69/57/84/500695784.db2.gz LZWVPYCWFLGIFY-JAXLGGSGSA-N 0 3 371.525 3.322 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000437992180 500726033 /nfs/dbraw/zinc/72/60/33/500726033.db2.gz JJNANAKUXQFPNM-NRSPTQNISA-N 0 3 371.525 3.274 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448253484 500739566 /nfs/dbraw/zinc/73/95/66/500739566.db2.gz AXDVGBVBQDZRPU-LJQANCHMSA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCOc1ccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)cc1Cl ZINC000438343054 500773945 /nfs/dbraw/zinc/77/39/45/500773945.db2.gz VRUSWMRDEDCWRW-OAHLLOKOSA-N 0 3 352.906 3.182 20 30 FGEDHN COc1cc(C)nc(CNC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438481891 500790598 /nfs/dbraw/zinc/79/05/98/500790598.db2.gz ZBMPMOOBSORFNN-UHFFFAOYSA-N 0 3 352.438 3.145 20 30 FGEDHN CCN(C(=O)c1ccc(C#N)n1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000448768678 500828596 /nfs/dbraw/zinc/82/85/96/500828596.db2.gz RGKNYFIFSHFPTA-LPHOPBHVSA-N 0 3 350.466 3.194 20 30 FGEDHN N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1Br ZINC000448933601 500873193 /nfs/dbraw/zinc/87/31/93/500873193.db2.gz QYSUMKJIPNROTI-CQSZACIVSA-N 0 3 362.271 3.021 20 30 FGEDHN COc1cc(F)cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449007463 500893786 /nfs/dbraw/zinc/89/37/86/500893786.db2.gz DHCHRBZKTWTOBF-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN CC(C)N(CCOc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1 ZINC000444820276 500906872 /nfs/dbraw/zinc/90/68/72/500906872.db2.gz WNRSWVMHJNGBAN-IBGZPJMESA-N 0 3 354.450 3.087 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000435463658 500981950 /nfs/dbraw/zinc/98/19/50/500981950.db2.gz NGCVGSHHGMYJJD-UHFFFAOYSA-N 0 3 353.422 3.495 20 30 FGEDHN CCn1c(CCNC(=O)C(C#N)CCc2ccccc2)nc2ccccc21 ZINC000435925888 501047628 /nfs/dbraw/zinc/04/76/28/501047628.db2.gz HICAZHMMDYRRRT-GOSISDBHSA-N 0 3 360.461 3.487 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)oc1C ZINC000436143702 501077631 /nfs/dbraw/zinc/07/76/31/501077631.db2.gz KODDCUIBYJEOMY-QGZVFWFLSA-N 0 3 367.449 3.292 20 30 FGEDHN N#CC1CCC(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000441158264 501095929 /nfs/dbraw/zinc/09/59/29/501095929.db2.gz RKTWOXVNSDDCFN-UHFFFAOYSA-N 0 3 368.525 3.035 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000436289303 501102479 /nfs/dbraw/zinc/10/24/79/501102479.db2.gz GOQKDHRROOOMQG-AFYVEPGGSA-N 0 3 364.917 3.283 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000450372545 501103690 /nfs/dbraw/zinc/10/36/90/501103690.db2.gz PVQMGTKGLSGIQB-HZPDHXFCSA-N 0 3 372.469 3.182 20 30 FGEDHN C=C(C)COc1cc(CN[C@]2(CO)C[C@@H](OCC)C2(C)C)ccc1OC ZINC000436375643 501116218 /nfs/dbraw/zinc/11/62/18/501116218.db2.gz BCIWPJWDOXPZMT-CTNGQTDRSA-N 0 3 363.498 3.306 20 30 FGEDHN CCc1cc(CCCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)on1 ZINC000450531092 501146738 /nfs/dbraw/zinc/14/67/38/501146738.db2.gz GQUATRXGQBEZCL-UHFFFAOYSA-N 0 3 366.465 3.392 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1C ZINC000442189795 501206227 /nfs/dbraw/zinc/20/62/27/501206227.db2.gz CNQQFGDZDDXDBM-GXFFZTMASA-N 0 3 356.348 3.061 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2cccc(C#N)c2[N+](=O)[O-])cc1 ZINC000450317632 501232549 /nfs/dbraw/zinc/23/25/49/501232549.db2.gz UFRYTRSKWIVIIS-UHFFFAOYSA-N 0 3 354.410 3.061 20 30 FGEDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C[C@H](O)COc1ccc(C#N)cc1 ZINC000451134599 501247581 /nfs/dbraw/zinc/24/75/81/501247581.db2.gz JBOHKUJNPNCGNT-XRGAULLZSA-N 0 3 356.388 3.349 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000455362082 501281881 /nfs/dbraw/zinc/28/18/81/501281881.db2.gz UZZQKDSFGSCFMW-RTBURBONSA-N 0 3 363.546 3.334 20 30 FGEDHN Cc1cc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)ncc1C#N ZINC000457809541 501313793 /nfs/dbraw/zinc/31/37/93/501313793.db2.gz OTUOODBMLVMCOA-HXUWFJFHSA-N 0 3 366.465 3.082 20 30 FGEDHN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](CO)C(C)C ZINC000451591042 501331775 /nfs/dbraw/zinc/33/17/75/501331775.db2.gz CQIBEWQNQYKHOS-MAUKXSAKSA-N 0 3 351.878 3.029 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000451597979 501333314 /nfs/dbraw/zinc/33/33/14/501333314.db2.gz JMAKVNGECSXBBR-DYXWJJEUSA-N 0 3 370.880 3.479 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000451600578 501334057 /nfs/dbraw/zinc/33/40/57/501334057.db2.gz RFZWVPLHMQWKKS-GJYPPUQNSA-N 0 3 360.454 3.026 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000451607389 501335780 /nfs/dbraw/zinc/33/57/80/501335780.db2.gz PZNCBSUQYVMJDM-URVUXULASA-N 0 3 368.452 3.307 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000453467871 501340253 /nfs/dbraw/zinc/34/02/53/501340253.db2.gz SEXCRYLSMCTPGT-IBGZPJMESA-N 0 3 373.545 3.408 20 30 FGEDHN C[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@H](c1ccccc1)N(C)C ZINC000455769348 501382618 /nfs/dbraw/zinc/38/26/18/501382618.db2.gz XBSUHZBGSGGGQQ-YVEFUNNKSA-N 0 3 357.845 3.420 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000459042558 501581691 /nfs/dbraw/zinc/58/16/91/501581691.db2.gz NOSGDIJJULYBDZ-MSOLQXFVSA-N 0 3 365.905 3.147 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000456785335 501598181 /nfs/dbraw/zinc/59/81/81/501598181.db2.gz CVURBRXWIBMHBF-UHFFFAOYSA-N 0 3 358.829 3.265 20 30 FGEDHN COc1ccc([C@H](CO)CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000459730227 501705340 /nfs/dbraw/zinc/70/53/40/501705340.db2.gz BIPHFRWGHOIJQL-INIZCTEOSA-N 0 3 364.367 3.451 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNC2(CO)CCSCC2)c1 ZINC000459737410 501706694 /nfs/dbraw/zinc/70/66/94/501706694.db2.gz WUHGJVYARMIPFY-UHFFFAOYSA-N 0 3 368.502 3.485 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc2cc[nH]c2n1)C(C)C ZINC000460125888 501732733 /nfs/dbraw/zinc/73/27/33/501732733.db2.gz CKCGUZOPUGWKCC-GOSISDBHSA-N 0 3 355.486 3.061 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)s1 ZINC000477723505 501768813 /nfs/dbraw/zinc/76/88/13/501768813.db2.gz JUAURYSTPLAWOP-UHFFFAOYSA-N 0 3 355.463 3.076 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(C#N)cc1F)N(C)C ZINC000588339629 506272733 /nfs/dbraw/zinc/27/27/33/506272733.db2.gz IBYACCRSMOKDIJ-QRWLVFNGSA-N 0 3 368.456 3.496 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCSCc2ccccc2F)cc1 ZINC000470737926 501787576 /nfs/dbraw/zinc/78/75/76/501787576.db2.gz RFCVXUDBBAEFRG-SFHVURJKSA-N 0 3 367.449 3.429 20 30 FGEDHN Cc1ccccc1OCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470839043 501825171 /nfs/dbraw/zinc/82/51/71/501825171.db2.gz CPHNGPLWFUFEBB-FQEVSTJZSA-N 0 3 361.445 3.476 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000470907271 501849295 /nfs/dbraw/zinc/84/92/95/501849295.db2.gz RKSMXZIZGXECKQ-GOSISDBHSA-N 0 3 356.422 3.413 20 30 FGEDHN CCCCCn1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)n1 ZINC000471095862 501917573 /nfs/dbraw/zinc/91/75/73/501917573.db2.gz OZWKFKCSYKSHAH-IBGZPJMESA-N 0 3 363.465 3.252 20 30 FGEDHN CN1CC[C@@H](NC(=O)N2CCc3c(CC#N)cccc3C2)[C@@H]1c1ccccc1 ZINC000599021013 506282034 /nfs/dbraw/zinc/28/20/34/506282034.db2.gz RQHWDVMIAZYPAQ-YADHBBJMSA-N 0 3 374.488 3.266 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(F)c(Cl)cc2F)cc1 ZINC000471160927 501940749 /nfs/dbraw/zinc/94/07/49/501940749.db2.gz IPJUFAGIDHXCRK-CYBMUJFWSA-N 0 3 359.763 3.489 20 30 FGEDHN CCc1nc(C#N)cc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000596152689 506283736 /nfs/dbraw/zinc/28/37/36/506283736.db2.gz NQFSUSBYXKVXQJ-QFIPXVFZSA-N 0 3 361.493 3.403 20 30 FGEDHN C=CCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000468267908 502012166 /nfs/dbraw/zinc/01/21/66/502012166.db2.gz KWPRGANMZKKWTQ-HNNXBMFYSA-N 0 3 362.412 3.422 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000475058591 502040726 /nfs/dbraw/zinc/04/07/26/502040726.db2.gz ZQIHQGRYFUPIKI-UWJYYQICSA-N 0 3 362.477 3.268 20 30 FGEDHN C=CCOc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1 ZINC000475081921 502048985 /nfs/dbraw/zinc/04/89/85/502048985.db2.gz DXCNGAGTOUONKG-OALUTQOASA-N 0 3 370.472 3.086 20 30 FGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000468488122 502078487 /nfs/dbraw/zinc/07/84/87/502078487.db2.gz OBTUFZUZCBDJKJ-LJQANCHMSA-N 0 3 357.498 3.344 20 30 FGEDHN CN(C)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1ccccc1 ZINC000468505798 502084712 /nfs/dbraw/zinc/08/47/12/502084712.db2.gz HBVYWPXAZIGJSD-LJQANCHMSA-N 0 3 374.444 3.116 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000461449764 502119477 /nfs/dbraw/zinc/11/94/77/502119477.db2.gz YSTUVWBFNNNULO-LEWJYISDSA-N 0 3 359.473 3.461 20 30 FGEDHN NC[C@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000479159321 502179213 /nfs/dbraw/zinc/17/92/13/502179213.db2.gz NVWIURHTYIPHQD-NSHDSACASA-N 0 3 372.284 3.211 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C#N)c2ccccc2)CC1 ZINC000461940227 502245006 /nfs/dbraw/zinc/24/50/06/502245006.db2.gz FRINRRUKBFNACW-VAMGGRTRSA-N 0 3 354.498 3.451 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncc(Br)cn1 ZINC000486787441 502260657 /nfs/dbraw/zinc/26/06/57/502260657.db2.gz PEPJXSHZPQAZHW-OCCSQVGLSA-N 0 3 373.254 3.189 20 30 FGEDHN C[C@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000462027110 502279309 /nfs/dbraw/zinc/27/93/09/502279309.db2.gz WKOHDGCBTFXELI-KSZLIROESA-N 0 3 369.509 3.010 20 30 FGEDHN CCCOC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000472258664 502287135 /nfs/dbraw/zinc/28/71/35/502287135.db2.gz ORFDNNZBWKZECV-LJQANCHMSA-N 0 3 353.466 3.486 20 30 FGEDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475797968 502294591 /nfs/dbraw/zinc/29/45/91/502294591.db2.gz XBUSMCYBHZBMOY-UHFFFAOYSA-N 0 3 357.907 3.002 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCc2c1cccc2O)C(C)C ZINC000465538862 502296794 /nfs/dbraw/zinc/29/67/94/502296794.db2.gz GKVULELWZZRFPN-RTBURBONSA-N 0 3 357.498 3.377 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(c3ccncc3)CCCC2)cc1 ZINC000472425525 502347553 /nfs/dbraw/zinc/34/75/53/502347553.db2.gz JXRJZPJAOVLGBB-LJQANCHMSA-N 0 3 358.445 3.264 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465743515 502366992 /nfs/dbraw/zinc/36/69/92/502366992.db2.gz CESONPFTBZAZRX-BEFAXECRSA-N 0 3 366.440 3.332 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC23CCCC3)cc1 ZINC000483481924 502406058 /nfs/dbraw/zinc/40/60/58/502406058.db2.gz YVHSGCHBRZDJGW-CJNGLKHVSA-N 0 3 361.467 3.217 20 30 FGEDHN Cn1cc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1C#N ZINC000480331759 502540521 /nfs/dbraw/zinc/54/05/21/502540521.db2.gz FZKDVHFYDGYBEX-CQSZACIVSA-N 0 3 364.371 3.164 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H](C2CCC2)C1)C(C)C ZINC000487829644 502541221 /nfs/dbraw/zinc/54/12/21/502541221.db2.gz DNSKXJNVPKSEQM-WOJBJXKFSA-N 0 3 363.546 3.143 20 30 FGEDHN C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C1=CCN(C)CC1 ZINC000469775379 502541509 /nfs/dbraw/zinc/54/15/09/502541509.db2.gz LKXRRPPFALMCKC-MRXNPFEDSA-N 0 3 350.466 3.325 20 30 FGEDHN C=CCc1cc(CNc2cccc(CN3CC[C@H](O)C3)c2)cc(OC)c1O ZINC000462859916 502602482 /nfs/dbraw/zinc/60/24/82/502602482.db2.gz MXBHMHBCHFOPFL-FQEVSTJZSA-N 0 3 368.477 3.308 20 30 FGEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000484308469 502621890 /nfs/dbraw/zinc/62/18/90/502621890.db2.gz GUSCPSRHZJKQRZ-FQEVSTJZSA-N 0 3 362.477 3.019 20 30 FGEDHN Cc1cc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)ccc1C#N ZINC000488159038 502643192 /nfs/dbraw/zinc/64/31/92/502643192.db2.gz PNNUUSYTXRBMGV-INIZCTEOSA-N 0 3 363.461 3.375 20 30 FGEDHN C=C(C)[C@@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccc(F)c(F)c1 ZINC000477040736 502657730 /nfs/dbraw/zinc/65/77/30/502657730.db2.gz PZXGHJGKMZGLJQ-AEFFLSMTSA-N 0 3 369.481 3.319 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2C)cc1 ZINC000481038331 502736685 /nfs/dbraw/zinc/73/66/85/502736685.db2.gz QTTHLFCJCMATQO-ILXRZTDVSA-N 0 3 363.483 3.320 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CCCCC2)cc1 ZINC000481071148 502746883 /nfs/dbraw/zinc/74/68/83/502746883.db2.gz HWRWHWNFLHHXJP-AWEZNQCLSA-N 0 3 363.483 3.464 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467042179 502767568 /nfs/dbraw/zinc/76/75/68/502767568.db2.gz ZZFPSMPSEBKTIW-ABSDTBQOSA-N 0 3 363.461 3.105 20 30 FGEDHN C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)N(C)C1CC1 ZINC000477443904 502775894 /nfs/dbraw/zinc/77/58/94/502775894.db2.gz DLKZDPIJYXTOOO-LSJNQWAISA-N 0 3 370.497 3.030 20 30 FGEDHN CCCN(CCN(C)C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000496262571 502881263 /nfs/dbraw/zinc/88/12/63/502881263.db2.gz LVPQAWCJSPWWDQ-UHFFFAOYSA-N 0 3 352.438 3.159 20 30 FGEDHN N#CC(C(=O)c1cnc2c(F)ccc(F)c2c1)c1nnc2n1CCCCC2 ZINC000496721711 502901447 /nfs/dbraw/zinc/90/14/47/502901447.db2.gz HJJHGAIVUFJYIT-ZDUSSCGKSA-N 0 3 367.359 3.321 20 30 FGEDHN Cc1cc(NC(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)no1 ZINC000505437497 502904460 /nfs/dbraw/zinc/90/44/60/502904460.db2.gz CAIRBFAQLNEJPF-SECBINFHSA-N 0 3 360.345 3.053 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc(C#N)ccn1 ZINC000500985074 502906070 /nfs/dbraw/zinc/90/60/70/502906070.db2.gz WPXALEPQRSPUOB-FQEVSTJZSA-N 0 3 362.477 3.156 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2SCCc3ccccc32)CC1 ZINC000489233185 502907225 /nfs/dbraw/zinc/90/72/25/502907225.db2.gz NNXDAUGVUJLMGD-IBGZPJMESA-N 0 3 359.539 3.357 20 30 FGEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000489446720 502960375 /nfs/dbraw/zinc/96/03/75/502960375.db2.gz ITRISKFCFBUQRH-GJZGRUSLSA-N 0 3 358.251 3.368 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000501225755 502961945 /nfs/dbraw/zinc/96/19/45/502961945.db2.gz HIINBDLYXLXHOR-FUHIMQAGSA-N 0 3 363.461 3.277 20 30 FGEDHN Cc1ccc(NC(=O)Cc2c(F)cccc2C#N)c(OCCN(C)C)c1 ZINC000513606003 502978478 /nfs/dbraw/zinc/97/84/78/502978478.db2.gz GPDZUOKDTUUESB-UHFFFAOYSA-N 0 3 355.413 3.127 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599150101 506347335 /nfs/dbraw/zinc/34/73/35/506347335.db2.gz XPZNYXOMKIXRLP-QUCCMNQESA-N 0 3 352.482 3.252 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602909176 506347894 /nfs/dbraw/zinc/34/78/94/506347894.db2.gz HUFPWUULLMUAHD-UHFFFAOYSA-N 0 3 359.433 3.033 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C#N)ccc1Cl ZINC000506202166 503068737 /nfs/dbraw/zinc/06/87/37/503068737.db2.gz HLVZBVWELRIHND-UHFFFAOYSA-N 0 3 366.852 3.287 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)CNc1ccc(C#N)cc1)N(C)C ZINC000510525225 503133367 /nfs/dbraw/zinc/13/33/67/503133367.db2.gz PQBFIPXDNRVULD-HRAATJIYSA-N 0 3 350.466 3.086 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nc2n[nH]c(C)c21)C(C)C ZINC000498366781 503170309 /nfs/dbraw/zinc/17/03/09/503170309.db2.gz INZQUCTZIYFWOE-KRWDZBQOSA-N 0 3 355.486 3.003 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(-c2ccccc2F)n1)C(C)C ZINC000498376309 503173067 /nfs/dbraw/zinc/17/30/67/503173067.db2.gz OQSRRVQJHFCXBV-FQEVSTJZSA-N 0 3 370.472 3.440 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nnn(-c2ccccc2)c1C)C(C)C ZINC000498377334 503173703 /nfs/dbraw/zinc/17/37/03/503173703.db2.gz RBBXYSWDBYHCIK-IBGZPJMESA-N 0 3 367.497 3.004 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000498381116 503174920 /nfs/dbraw/zinc/17/49/20/503174920.db2.gz VYJHLZRKABGJIL-FQEVSTJZSA-N 0 3 365.502 3.165 20 30 FGEDHN C[C@@]1(CNC(=O)c2cccc(F)c2C#N)CCCN1Cc1ccccc1 ZINC000490515610 503187485 /nfs/dbraw/zinc/18/74/85/503187485.db2.gz XUXNJRANDMUTHS-NRFANRHFSA-N 0 3 351.425 3.482 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593055242 506362679 /nfs/dbraw/zinc/36/26/79/506362679.db2.gz RSVRIUIKIDXXPE-UHFFFAOYSA-N 0 3 355.335 3.253 20 30 FGEDHN N#CCCN(CC1CC1)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511148103 503268838 /nfs/dbraw/zinc/26/88/38/503268838.db2.gz WEJRYHOXZWHJND-GOSISDBHSA-N 0 3 361.436 3.296 20 30 FGEDHN C[C@@H](Oc1ccccc1F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499045340 503320607 /nfs/dbraw/zinc/32/06/07/503320607.db2.gz ZRPLKHUOUSBAID-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN N#CC1(NC(=O)CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC1 ZINC000511604960 503353113 /nfs/dbraw/zinc/35/31/13/503353113.db2.gz IFXANQPGIAYBFI-INIZCTEOSA-N 0 3 367.371 3.188 20 30 FGEDHN CCN(CCC#N)C(=O)CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511608387 503354821 /nfs/dbraw/zinc/35/48/21/503354821.db2.gz BYKUHRDRLKTQBM-KRWDZBQOSA-N 0 3 369.387 3.388 20 30 FGEDHN CC[C@@H]1C[C@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000507816053 503372980 /nfs/dbraw/zinc/37/29/80/503372980.db2.gz YQLCAILWSPWCRJ-IEBWSBKVSA-N 0 3 364.493 3.434 20 30 FGEDHN N#Cc1cnn2cc(CN3CCC(c4c[nH]c5ccccc54)CC3)cnc12 ZINC000515649540 503379047 /nfs/dbraw/zinc/37/90/47/503379047.db2.gz CLURHKMBFJCCTL-UHFFFAOYSA-N 0 3 356.433 3.462 20 30 FGEDHN CCC[C@@H](NC(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000507854055 503380461 /nfs/dbraw/zinc/38/04/61/503380461.db2.gz XZRUMDODLYKJSG-GOSISDBHSA-N 0 3 370.497 3.375 20 30 FGEDHN COc1cccc(OC)c1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000512007970 503433690 /nfs/dbraw/zinc/43/36/90/503433690.db2.gz PAKVEGGBCBQRIY-INIZCTEOSA-N 0 3 369.440 3.473 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000599203258 506372069 /nfs/dbraw/zinc/37/20/69/506372069.db2.gz UDEIMNYTIYJTBI-BHDDXSALSA-N 0 3 359.473 3.034 20 30 FGEDHN CCC(CC)N(CC)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000516210214 503471918 /nfs/dbraw/zinc/47/19/18/503471918.db2.gz FMVGSESZYAJUMV-HXUWFJFHSA-N 0 3 374.504 3.045 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000504083428 503519408 /nfs/dbraw/zinc/51/94/08/503519408.db2.gz AIUKADYNSYNLAI-GOSISDBHSA-N 0 3 357.498 3.124 20 30 FGEDHN C=CCCc1ccccc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000516550448 503533207 /nfs/dbraw/zinc/53/32/07/503533207.db2.gz VPJPYVRUGLGCNM-UHFFFAOYSA-N 0 3 353.470 3.334 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cn2ccc(C)cc2n1)C(C)C ZINC000516564308 503537780 /nfs/dbraw/zinc/53/77/80/503537780.db2.gz XDGFYESECNPFSM-LJQANCHMSA-N 0 3 369.513 3.141 20 30 FGEDHN CC(C)[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)N1CCOCC1 ZINC000516689060 503569663 /nfs/dbraw/zinc/56/96/63/503569663.db2.gz OLEQMWKKOCZZDE-KRWDZBQOSA-N 0 3 355.404 3.023 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](OCC3CC3)C1)CCC2 ZINC000494652807 503583712 /nfs/dbraw/zinc/58/37/12/503583712.db2.gz DOOPRRDCCDUXDY-OAHLLOKOSA-N 0 3 373.522 3.328 20 30 FGEDHN C[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512620479 503597386 /nfs/dbraw/zinc/59/73/86/503597386.db2.gz QYINUJGANUZQOV-YJBOKZPZSA-N 0 3 351.425 3.397 20 30 FGEDHN C[C@@H](NC1(CNC(=O)c2sccc2C#N)CCOCC1)c1ccccc1 ZINC000500462496 503629768 /nfs/dbraw/zinc/62/97/68/503629768.db2.gz CAHLAKDKHNPXFS-OAHLLOKOSA-N 0 3 369.490 3.250 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000495005208 503648057 /nfs/dbraw/zinc/64/80/57/503648057.db2.gz NUFSIKQJILLHBT-LJQANCHMSA-N 0 3 357.498 3.411 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000512929427 503658513 /nfs/dbraw/zinc/65/85/13/503658513.db2.gz AQUMPHZTBXUXCP-SFHVURJKSA-N 0 3 351.425 3.021 20 30 FGEDHN COc1cc(CN(C)CCC(=O)Nc2sccc2C#N)cc(OC)c1 ZINC000532927928 503660692 /nfs/dbraw/zinc/66/06/92/503660692.db2.gz CAFXMWGFVXGHPO-UHFFFAOYSA-N 0 3 359.451 3.098 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnc3onc(C(C)(C)C)c3c2)CC1 ZINC000517304665 503710187 /nfs/dbraw/zinc/71/01/87/503710187.db2.gz XLHBSTDFMYZESU-UHFFFAOYSA-N 0 3 356.470 3.291 20 30 FGEDHN N#Cc1ccc(CNCCc2cn3c(n2)SCC3)c(C(F)(F)F)c1 ZINC000517441868 503746009 /nfs/dbraw/zinc/74/60/09/503746009.db2.gz HZCSXBUTUOPJFU-UHFFFAOYSA-N 0 3 352.385 3.212 20 30 FGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(C)c(OC)c(C)c2)n1 ZINC000536932985 503764763 /nfs/dbraw/zinc/76/47/63/503764763.db2.gz FEHZYIDLCGAZHP-CYBMUJFWSA-N 0 3 358.419 3.435 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@H](COc1ccccc1)c1ccccc1 ZINC000540417581 503764429 /nfs/dbraw/zinc/76/44/29/503764429.db2.gz QQOVRQKWJCKLDO-HXUWFJFHSA-N 0 3 351.450 3.158 20 30 FGEDHN CC[C@@H](CO)N(CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000543446195 503773517 /nfs/dbraw/zinc/77/35/17/503773517.db2.gz GQBSSCRNUQKROV-IBGZPJMESA-N 0 3 354.450 3.219 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000540458997 503777207 /nfs/dbraw/zinc/77/72/07/503777207.db2.gz UAPRPVAIMKPGBD-UXHICEINSA-N 0 3 350.462 3.403 20 30 FGEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000537022468 503780137 /nfs/dbraw/zinc/78/01/37/503780137.db2.gz MJHFHDIUXUUCLV-WMZOPIPTSA-N 0 3 354.450 3.436 20 30 FGEDHN C[C@H]1CN(CCCNCc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000517629759 503789903 /nfs/dbraw/zinc/78/99/03/503789903.db2.gz BWRRCXARYFZYMZ-KBPBESRZSA-N 0 3 355.404 3.166 20 30 FGEDHN C=CCC[C@H](NCC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000537130584 503811928 /nfs/dbraw/zinc/81/19/28/503811928.db2.gz QAKTYFIUKMPQDX-INIZCTEOSA-N 0 3 356.388 3.161 20 30 FGEDHN C=CCC[C@@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1ccccc1 ZINC000537155214 503819935 /nfs/dbraw/zinc/81/99/35/503819935.db2.gz ANGCIBLQTAFFLK-OAQYLSRUSA-N 0 3 367.493 3.221 20 30 FGEDHN C=CCN(CC=C)C(=O)CN(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517901775 503862890 /nfs/dbraw/zinc/86/28/90/503862890.db2.gz RYHQEWKPWVPDLJ-PZJWPPBQSA-N 0 3 355.526 3.344 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccsc2)c(OC)c1 ZINC000530244806 503892555 /nfs/dbraw/zinc/89/25/55/503892555.db2.gz QHGGFRHGXSSZQV-OKZBNKHCSA-N 0 3 359.491 3.371 20 30 FGEDHN N#CC(C(=O)c1ccccc1OCCOc1ccccc1)c1ccncn1 ZINC000546860648 503905723 /nfs/dbraw/zinc/90/57/23/503905723.db2.gz ZETIVOXCXKYKTH-SFHVURJKSA-N 0 3 359.385 3.424 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2c(C)[nH]c3ccc(F)cc32)CC1 ZINC000527726049 503916746 /nfs/dbraw/zinc/91/67/46/503916746.db2.gz BRIDFOUZCOSTPU-UHFFFAOYSA-N 0 3 372.488 3.498 20 30 FGEDHN C=C(C)COc1cc(CN[C@@]2(CO)COc3ccccc3C2)ccc1OC ZINC000527769361 503934917 /nfs/dbraw/zinc/93/49/17/503934917.db2.gz MGMTUWNAHLTTSZ-QFIPXVFZSA-N 0 3 369.461 3.106 20 30 FGEDHN Cc1cc(C)n2c(CNC3(c4ccc(C#N)cc4)CCOCC3)cnc2n1 ZINC000527809185 503954894 /nfs/dbraw/zinc/95/48/94/503954894.db2.gz IDQXZKIOECPDRM-UHFFFAOYSA-N 0 3 361.449 3.013 20 30 FGEDHN C=C(C)COc1cc(CN2CCC3(C[C@@H]3C(=O)OC)CC2)ccc1OC ZINC000537624030 503980421 /nfs/dbraw/zinc/98/04/21/503980421.db2.gz GXWVQQORYUEOIE-QGZVFWFLSA-N 0 3 359.466 3.425 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000533904220 503985414 /nfs/dbraw/zinc/98/54/14/503985414.db2.gz JRKFPGAFMORXBM-OAQYLSRUSA-N 0 3 365.477 3.192 20 30 FGEDHN CN(C)CCOc1ccccc1-c1noc(CCc2ccc(C#N)cc2)n1 ZINC000547111766 503988274 /nfs/dbraw/zinc/98/82/74/503988274.db2.gz RUPYPRZOERVPRR-UHFFFAOYSA-N 0 3 362.433 3.334 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cc3c(c(Br)c2)OCO3)nc(C)n1 ZINC000518507810 504003821 /nfs/dbraw/zinc/00/38/21/504003821.db2.gz RDYHOSMRUWJQMZ-NSHDSACASA-N 0 3 374.194 3.075 20 30 FGEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)N(CC)CC ZINC000547310039 504055464 /nfs/dbraw/zinc/05/54/64/504055464.db2.gz HOXSKHMSVIUUEB-HUUCEWRRSA-N 0 3 357.376 3.386 20 30 FGEDHN Cc1nc2ccccn2c1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000530774215 504084635 /nfs/dbraw/zinc/08/46/35/504084635.db2.gz VMTVWKRBQZVFSS-KRWDZBQOSA-N 0 3 363.440 3.412 20 30 FGEDHN COc1cccc([C@H]2CCCN2C[C@@H](O)COc2ccccc2C#N)c1 ZINC000528335703 504175122 /nfs/dbraw/zinc/17/51/22/504175122.db2.gz DAABOWHQMIRFHB-UYAOXDASSA-N 0 3 352.434 3.144 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000528351954 504183188 /nfs/dbraw/zinc/18/31/88/504183188.db2.gz JYAYSDUEGSRSTF-PMACEKPBSA-N 0 3 354.425 3.144 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C)N(C[C@@H](O)COc1ccccc1C#N)[C@H]2C ZINC000528442481 504225676 /nfs/dbraw/zinc/22/56/76/504225676.db2.gz MDHSNPNWPYAESP-TXPKVOOTSA-N 0 3 366.461 3.314 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000531291722 504253972 /nfs/dbraw/zinc/25/39/72/504253972.db2.gz HMWSALDKDOFBNX-QFIPXVFZSA-N 0 3 366.461 3.217 20 30 FGEDHN COCCC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000528576273 504280240 /nfs/dbraw/zinc/28/02/40/504280240.db2.gz LWMHOXCVRLVXOT-HNNXBMFYSA-N 0 3 357.479 3.221 20 30 FGEDHN C=CCN(CCC(=O)c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538615128 504303965 /nfs/dbraw/zinc/30/39/65/504303965.db2.gz OEGWXRGCJCBXHM-QGZVFWFLSA-N 0 3 361.449 3.484 20 30 FGEDHN C=CCN(CCC(=O)c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538615122 504304099 /nfs/dbraw/zinc/30/40/99/504304099.db2.gz OEGWXRGCJCBXHM-KRWDZBQOSA-N 0 3 361.449 3.484 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cccc([C@@H]4CNC(=O)C4)c3)CC2)cc1 ZINC000541928914 504306091 /nfs/dbraw/zinc/30/60/91/504306091.db2.gz KQUBMCCCFBAECO-FQEVSTJZSA-N 0 3 374.488 3.238 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1cccs1 ZINC000541969040 504318502 /nfs/dbraw/zinc/31/85/02/504318502.db2.gz YEXJZMSRPHIQAG-AEFFLSMTSA-N 0 3 360.527 3.466 20 30 FGEDHN N#Cc1ccc(CN2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1 ZINC000528714933 504346197 /nfs/dbraw/zinc/34/61/97/504346197.db2.gz KFWXRROBHIWBCF-UHFFFAOYSA-N 0 3 366.465 3.290 20 30 FGEDHN CC[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000520211348 504436166 /nfs/dbraw/zinc/43/61/66/504436166.db2.gz DHAMCBBQNULNGM-RXVVDRJESA-N 0 3 354.450 3.390 20 30 FGEDHN C=CCN(Cc1ccc(CC#N)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000542278639 504436354 /nfs/dbraw/zinc/43/63/54/504436354.db2.gz CNGBAEBYFZFKTI-QGZVFWFLSA-N 0 3 358.449 3.478 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000539254392 504513876 /nfs/dbraw/zinc/51/38/76/504513876.db2.gz PWPPHUONUUWTHS-GXZWQRSESA-N 0 3 370.497 3.129 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548748769 504551204 /nfs/dbraw/zinc/55/12/04/504551204.db2.gz SPNIEBVUYXXREO-SFHVURJKSA-N 0 3 364.449 3.210 20 30 FGEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000548854726 504593181 /nfs/dbraw/zinc/59/31/81/504593181.db2.gz XQMBQOWJOUXEGF-UHFFFAOYSA-N 0 3 366.513 3.228 20 30 FGEDHN N#Cc1ccc(Oc2ccc(NC(=O)NCCNc3ccncc3)cc2)cc1 ZINC000536017409 504609632 /nfs/dbraw/zinc/60/96/32/504609632.db2.gz KNLHBCYUVRTNGG-UHFFFAOYSA-N 0 3 373.416 3.401 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000532352362 504620755 /nfs/dbraw/zinc/62/07/55/504620755.db2.gz QLZQUTLUUGPRBM-SBHAEUEKSA-N 0 3 370.541 3.152 20 30 FGEDHN C[C@H](C(=O)N1CCC(CC#N)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000542905855 504652628 /nfs/dbraw/zinc/65/26/28/504652628.db2.gz GKTMLWBANNAUIW-GOSISDBHSA-N 0 3 353.510 3.482 20 30 FGEDHN CN(C(=O)c1ccc(C#N)s1)c1ccc(OCCN2CCCC2)cc1 ZINC000532457639 504658266 /nfs/dbraw/zinc/65/82/66/504658266.db2.gz UPQSPFFNUBBMAH-UHFFFAOYSA-N 0 3 355.463 3.371 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H](OCC)[C@]23CCCO3)ccc1OC ZINC000546056736 504692387 /nfs/dbraw/zinc/69/23/87/504692387.db2.gz RIHKXWPVXIHPKE-HKBOAZHASA-N 0 3 361.482 3.466 20 30 FGEDHN CC(C)N1CCC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000562374277 504798373 /nfs/dbraw/zinc/79/83/73/504798373.db2.gz SMVOYLUJFNUBBJ-SFHVURJKSA-N 0 3 365.481 3.066 20 30 FGEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)Cc3ccc(F)cc3)CC2)c1 ZINC000549409825 504814826 /nfs/dbraw/zinc/81/48/26/504814826.db2.gz ZIQZVXDFWLQLBV-IBGZPJMESA-N 0 3 354.425 3.144 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@@H]2CF)c1C#N ZINC000559409616 504856102 /nfs/dbraw/zinc/85/61/02/504856102.db2.gz AUCKHRPDDQBNSZ-MRXNPFEDSA-N 0 3 372.444 3.380 20 30 FGEDHN N#CC1(N(C(=O)CCCN2CCN(c3ccccc3)CC2)C2CC2)CCC1 ZINC000556454487 504879415 /nfs/dbraw/zinc/87/94/15/504879415.db2.gz RNQUEMPMCWALGQ-UHFFFAOYSA-N 0 3 366.509 3.026 20 30 FGEDHN CCNC(=O)[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000549843764 504914548 /nfs/dbraw/zinc/91/45/48/504914548.db2.gz QPGJJVJSVYJPAS-NRFANRHFSA-N 0 3 365.477 3.388 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000549920152 504933835 /nfs/dbraw/zinc/93/38/35/504933835.db2.gz QYAAXSBBXAYTGS-HZCDGDGTSA-N 0 3 373.884 3.476 20 30 FGEDHN CSc1ccc([C@H](CNCc2cnc3ccc(C#N)cn23)N(C)C)cc1 ZINC000562773576 504940868 /nfs/dbraw/zinc/94/08/68/504940868.db2.gz XWJKPKKAAJDSKI-IBGZPJMESA-N 0 3 365.506 3.320 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncc(C#N)cc1C ZINC000560097776 504991564 /nfs/dbraw/zinc/99/15/64/504991564.db2.gz PYMFUHAPPNHJAB-IBGZPJMESA-N 0 3 362.477 3.246 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000565816079 504995972 /nfs/dbraw/zinc/99/59/72/504995972.db2.gz LXKQVPYXVVEPTD-WLRLJWMZSA-N 0 3 369.509 3.337 20 30 FGEDHN CN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000556892976 505008589 /nfs/dbraw/zinc/00/85/89/505008589.db2.gz ZXIVCIXCBOZFFJ-IBGZPJMESA-N 0 3 365.452 3.363 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000563013495 505020265 /nfs/dbraw/zinc/02/02/65/505020265.db2.gz AZKOMYBLUUEXBE-WMZOPIPTSA-N 0 3 364.367 3.234 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCCCc2ccc(F)cc2)cc1 ZINC000563014041 505021238 /nfs/dbraw/zinc/02/12/38/505021238.db2.gz OWZQXLVDJGFKNB-UHFFFAOYSA-N 0 3 374.481 3.474 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)n2c1 ZINC000560257060 505030980 /nfs/dbraw/zinc/03/09/80/505030980.db2.gz JZQARGGJAVCBQG-IEBWSBKVSA-N 0 3 354.360 3.104 20 30 FGEDHN CCN1CC[C@H](NCc2ccc(C#N)cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000563352143 505117585 /nfs/dbraw/zinc/11/75/85/505117585.db2.gz CMBDLOZJRIENIM-HKUYNNGSSA-N 0 3 360.383 3.296 20 30 FGEDHN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NCC(=O)NC1(C#N)CCC1 ZINC000554272078 505130515 /nfs/dbraw/zinc/13/05/15/505130515.db2.gz GHKURLQCXDTIBJ-STQMWFEESA-N 0 3 353.388 3.349 20 30 FGEDHN C[C@H](NCCn1cnc(C#N)n1)c1ccc2ccccc2c1OC(F)F ZINC000560584990 505134316 /nfs/dbraw/zinc/13/43/16/505134316.db2.gz OXHAZSGHEXCGJK-LBPRGKRZSA-N 0 3 357.364 3.255 20 30 FGEDHN C=CCOCCN[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563496298 505156311 /nfs/dbraw/zinc/15/63/11/505156311.db2.gz XKHSNRDOSCCHJN-AEFFLSMTSA-N 0 3 354.853 3.322 20 30 FGEDHN N#CCC[C@H](C#N)CNC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000554552238 505206004 /nfs/dbraw/zinc/20/60/04/505206004.db2.gz MQSCYJIXPXYXRI-QGZVFWFLSA-N 0 3 363.465 3.339 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000563902864 505271137 /nfs/dbraw/zinc/27/11/37/505271137.db2.gz QLXADSMSQWZMAT-UHFFFAOYSA-N 0 3 358.829 3.108 20 30 FGEDHN COc1nc(C)cc(C)c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000558086536 505304351 /nfs/dbraw/zinc/30/43/51/505304351.db2.gz DTXREWRZVDPRKA-UHFFFAOYSA-N 0 3 364.493 3.287 20 30 FGEDHN COc1cc(CN[C@@H](C)c2cccc(N3CCOCC3)c2)ccc1C#N ZINC000554998771 505323758 /nfs/dbraw/zinc/32/37/58/505323758.db2.gz UPSFLBSVPRFIHX-INIZCTEOSA-N 0 3 351.450 3.254 20 30 FGEDHN N#Cc1ccccc1N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000555006421 505326523 /nfs/dbraw/zinc/32/65/23/505326523.db2.gz DKRCREMVHKELGF-UHFFFAOYSA-N 0 3 374.488 3.116 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555230415 505385444 /nfs/dbraw/zinc/38/54/44/505385444.db2.gz AFSGSLOZSRVDHI-LIRRHRJNSA-N 0 3 371.868 3.398 20 30 FGEDHN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCN(CC2CC2)CC1 ZINC000555249238 505391060 /nfs/dbraw/zinc/39/10/60/505391060.db2.gz WKRFYQISSIUEDC-UHFFFAOYSA-N 0 3 357.527 3.423 20 30 FGEDHN Cc1ccc([C@H](CN[C@@H]2CCc3ccc(C#N)cc32)N2CCOCC2)o1 ZINC000564431272 505418493 /nfs/dbraw/zinc/41/84/93/505418493.db2.gz BRNAXZCUGUBGQU-UXHICEINSA-N 0 3 351.450 3.110 20 30 FGEDHN C[C@H](C#N)CN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000552365591 505473868 /nfs/dbraw/zinc/47/38/68/505473868.db2.gz JWCGXDTVMLSBMO-QAPCUYQASA-N 0 3 361.436 3.294 20 30 FGEDHN CCC(CC)(CCO)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000558749474 505482987 /nfs/dbraw/zinc/48/29/87/505482987.db2.gz XXJDYYNPIWCDHJ-UHFFFAOYSA-N 0 3 365.905 3.426 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)NCC(C)(C)N1CCCCC1)c1ccccc1 ZINC000555663087 505488816 /nfs/dbraw/zinc/48/88/16/505488816.db2.gz RMTYXVDAFXRLCG-LJQANCHMSA-N 0 3 371.525 3.191 20 30 FGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1OCC1CC1 ZINC000558811188 505500164 /nfs/dbraw/zinc/50/01/64/505500164.db2.gz HLAVDZPBIXQDAS-UHFFFAOYSA-N 0 3 373.888 3.201 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)c1cc(C#N)ccn1)c1ccc(Cl)cc1 ZINC000552682839 505533874 /nfs/dbraw/zinc/53/38/74/505533874.db2.gz VVCOMRFBAJYCTH-GOSISDBHSA-N 0 3 356.857 3.420 20 30 FGEDHN CN1CCC[C@H](NC[C@H](O)COc2ccc(CC#N)cc2)c2ccccc21 ZINC000567686759 505536410 /nfs/dbraw/zinc/53/64/10/505536410.db2.gz BRZOVRLIIYTWQN-RXVVDRJESA-N 0 3 365.477 3.053 20 30 FGEDHN COc1ccccc1COC[C@H](O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000567694071 505538861 /nfs/dbraw/zinc/53/88/61/505538861.db2.gz HPGIHBQLCILKGS-CTNGQTDRSA-N 0 3 366.461 3.112 20 30 FGEDHN C[C@H]1CCc2ccccc2[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000564851290 505539309 /nfs/dbraw/zinc/53/93/09/505539309.db2.gz JITSCPLHZCIHKN-MGPUTAFESA-N 0 3 354.475 3.245 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3cccc(Cl)c3)CC2)cc1 ZINC000564856822 505540301 /nfs/dbraw/zinc/54/03/01/505540301.db2.gz YUSBUIJBTODWPO-UHFFFAOYSA-N 0 3 374.893 3.307 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000564858603 505541237 /nfs/dbraw/zinc/54/12/37/505541237.db2.gz VGILDZIXLVAGRF-YLJYHZDGSA-N 0 3 361.445 3.446 20 30 FGEDHN CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC(CCC#N)CC2)c1 ZINC000567832711 505566795 /nfs/dbraw/zinc/56/67/95/505566795.db2.gz KUNXHPTUTJWJQF-UHFFFAOYSA-N 0 3 370.497 3.009 20 30 FGEDHN N#Cc1cnn2cc(CNCCCO[C@@H]3CCCc4ccccc43)cnc12 ZINC000567895784 505570425 /nfs/dbraw/zinc/57/04/25/505570425.db2.gz XRFHDNLZWOTHKO-HXUWFJFHSA-N 0 3 361.449 3.175 20 30 FGEDHN CCCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599274221 506394034 /nfs/dbraw/zinc/39/40/34/506394034.db2.gz NYZOAPTVIGICMT-IBGZPJMESA-N 0 3 354.450 3.219 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000589006345 506410002 /nfs/dbraw/zinc/41/00/02/506410002.db2.gz CLLNBYSAPDNCBV-YJBOKZPZSA-N 0 3 364.449 3.351 20 30 FGEDHN CCCN1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000596480365 506427093 /nfs/dbraw/zinc/42/70/93/506427093.db2.gz BHPINAOYTQIQQT-INIZCTEOSA-N 0 3 369.494 3.211 20 30 FGEDHN CN(C)CCc1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603177726 506448926 /nfs/dbraw/zinc/44/89/26/506448926.db2.gz DKTUKTPORCLDGA-UHFFFAOYSA-N 0 3 359.477 3.282 20 30 FGEDHN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1 ZINC000596582068 506471426 /nfs/dbraw/zinc/47/14/26/506471426.db2.gz INVUIBIHDPEEJM-CABCVRRESA-N 0 3 372.450 3.236 20 30 FGEDHN COCc1cc(C#N)ccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000603407546 506504814 /nfs/dbraw/zinc/50/48/14/506504814.db2.gz FZMIBTUHINWEFB-UHFFFAOYSA-N 0 3 350.466 3.424 20 30 FGEDHN Cn1cc(N2CCC[C@@H](NCc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000589314118 506514241 /nfs/dbraw/zinc/51/42/41/506514241.db2.gz LJZPBUSZVLJFHN-OAHLLOKOSA-N 0 3 363.387 3.069 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)c(C(F)(F)F)c1 ZINC000589315653 506514677 /nfs/dbraw/zinc/51/46/77/506514677.db2.gz KWOYISCIUHZTJA-MRXNPFEDSA-N 0 3 365.399 3.458 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C2 ZINC000593297447 506521210 /nfs/dbraw/zinc/52/12/10/506521210.db2.gz JFVKSXYXVBMLCB-OAQYLSRUSA-N 0 3 360.461 3.421 20 30 FGEDHN COC(=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1F ZINC000599631234 506540978 /nfs/dbraw/zinc/54/09/78/506540978.db2.gz KYUCRNGIXVNLCB-UHFFFAOYSA-N 0 3 368.408 3.279 20 30 FGEDHN N#Cc1cc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)ccc1F ZINC000596727441 506564221 /nfs/dbraw/zinc/56/42/21/506564221.db2.gz VIRRSDFOHJDMAF-UHFFFAOYSA-N 0 3 367.428 3.126 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCC2(C#N)CCCC2)CCN1Cc1ccccc1 ZINC000593374274 506583017 /nfs/dbraw/zinc/58/30/17/506583017.db2.gz YHYVXLKQGMQCHC-PKOBYXMFSA-N 0 3 354.498 3.423 20 30 FGEDHN COc1ccc([C@@H](NCCC(=O)Nc2sccc2C#N)C2CC2)cn1 ZINC000599694568 506585522 /nfs/dbraw/zinc/58/55/22/506585522.db2.gz APFNZPBPPOMNKR-KRWDZBQOSA-N 0 3 356.451 3.093 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)NCC3(C#N)CCCC3)cc2)CC1 ZINC000593403971 506602658 /nfs/dbraw/zinc/60/26/58/506602658.db2.gz ZDLDLLVANIONGR-UHFFFAOYSA-N 0 3 370.497 3.043 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000589634264 506613384 /nfs/dbraw/zinc/61/33/84/506613384.db2.gz CNCOYYHTFCNWPS-VQIMIIECSA-N 0 3 368.477 3.268 20 30 FGEDHN CCC[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCN1Cc1ccccc1 ZINC000583264235 506684559 /nfs/dbraw/zinc/68/45/59/506684559.db2.gz QMLOBBGWJVBEAY-NRFANRHFSA-N 0 3 374.492 3.087 20 30 FGEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H](C)C1 ZINC000590049697 506716184 /nfs/dbraw/zinc/71/61/84/506716184.db2.gz SLBDBBXIKCNKBJ-QMTMVMCOSA-N 0 3 364.449 3.016 20 30 FGEDHN CC(C)(C)n1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)cn1 ZINC000593693406 506734564 /nfs/dbraw/zinc/73/45/64/506734564.db2.gz XTANTAJPJTXJNC-UHFFFAOYSA-N 0 3 351.498 3.264 20 30 FGEDHN CC(C)N(C(=O)Cc1ccc(C#N)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000600067932 506764313 /nfs/dbraw/zinc/76/43/13/506764313.db2.gz YCRMXKMGZFQKDI-NRFANRHFSA-N 0 3 362.477 3.007 20 30 FGEDHN CC(C)(C)N1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000609080605 506771427 /nfs/dbraw/zinc/77/14/27/506771427.db2.gz KAHXKIGCQPKGAY-UHFFFAOYSA-N 0 3 366.412 3.498 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2F)CC2CC2)cc1 ZINC000604291615 506773574 /nfs/dbraw/zinc/77/35/74/506773574.db2.gz ANYPTLHZFQIKNC-IBGZPJMESA-N 0 3 354.425 3.349 20 30 FGEDHN CCOC(=O)c1cccc(CNCCSCc2ccccc2C#N)n1 ZINC000600126997 506789653 /nfs/dbraw/zinc/78/96/53/506789653.db2.gz UIYXDWMZVZIEJR-UHFFFAOYSA-N 0 3 355.463 3.153 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3cnc4ccccc4n3)CC2)nc1 ZINC000600143408 506803969 /nfs/dbraw/zinc/80/39/69/506803969.db2.gz YSJZTACIULITOX-UHFFFAOYSA-N 0 3 359.433 3.376 20 30 FGEDHN CO[C@]1(CO)CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597186711 506823695 /nfs/dbraw/zinc/82/36/95/506823695.db2.gz HGFJTTKMXHHXPJ-JOCHJYFZSA-N 0 3 366.461 3.111 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc2ccccc2o1 ZINC000604482217 506845727 /nfs/dbraw/zinc/84/57/27/506845727.db2.gz LCBGOXQOHLHYFE-UHFFFAOYSA-N 0 3 361.445 3.437 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593995575 506872947 /nfs/dbraw/zinc/87/29/47/506872947.db2.gz XVPPUAZIZZMZOP-AVRDEDQJSA-N 0 3 361.489 3.470 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000609399059 506874486 /nfs/dbraw/zinc/87/44/86/506874486.db2.gz GIMXJPMITDKQIJ-INIZCTEOSA-N 0 3 365.437 3.209 20 30 FGEDHN CCN(CC(=O)NCc1cccc(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432101 506880323 /nfs/dbraw/zinc/88/03/23/506880323.db2.gz CDLDWVPSVITBMV-QGZVFWFLSA-N 0 3 365.477 3.136 20 30 FGEDHN CC[C@H](NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCCCO1 ZINC000594045081 506904299 /nfs/dbraw/zinc/90/42/99/506904299.db2.gz SWFGWWAJYPMPBJ-VQTJNVASSA-N 0 3 357.498 3.487 20 30 FGEDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609515745 506905644 /nfs/dbraw/zinc/90/56/44/506905644.db2.gz BBYAPRQECBZIJQ-INIZCTEOSA-N 0 3 364.449 3.350 20 30 FGEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590755299 506939807 /nfs/dbraw/zinc/93/98/07/506939807.db2.gz XTSWMUDGQCGMIX-KBMXLJTQSA-N 0 3 356.388 3.155 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000590778717 506950150 /nfs/dbraw/zinc/95/01/50/506950150.db2.gz VEGLJGDSJHSLNW-QFBILLFUSA-N 0 3 352.459 3.096 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](Cc2ccncc2)C1 ZINC000613178522 506955605 /nfs/dbraw/zinc/95/56/05/506955605.db2.gz MARMVNCWJQIBTD-UZGQDQSDSA-N 0 3 368.525 3.265 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597516274 506987106 /nfs/dbraw/zinc/98/71/06/506987106.db2.gz FVESPKMGSGCKIP-DJJJIMSYSA-N 0 3 355.388 3.087 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000600614904 507033330 /nfs/dbraw/zinc/03/33/30/507033330.db2.gz LYTSEBMKYNJMDA-DKSSEZFCSA-N 0 3 351.356 3.191 20 30 FGEDHN N#CCCC1CCN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000583931367 507055601 /nfs/dbraw/zinc/05/56/01/507055601.db2.gz KMXHUZDNQHTGNH-FQEVSTJZSA-N 0 3 354.498 3.234 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594281576 507060341 /nfs/dbraw/zinc/06/03/41/507060341.db2.gz DLOAWDFXQUBLLT-UXHICEINSA-N 0 3 354.498 3.497 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594284056 507063397 /nfs/dbraw/zinc/06/33/97/507063397.db2.gz QDYLRJVMVKNYQP-MXEMCNAFSA-N 0 3 366.509 3.485 20 30 FGEDHN N#Cc1ccc(CN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C2CC2)cc1 ZINC000594283993 507063826 /nfs/dbraw/zinc/06/38/26/507063826.db2.gz PNELQKGXQYEXON-VQTJNVASSA-N 0 3 352.482 3.249 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000600715651 507078271 /nfs/dbraw/zinc/07/82/71/507078271.db2.gz AQXQOXDTTZQOTK-HOCLYGCPSA-N 0 3 350.459 3.024 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000600724440 507083335 /nfs/dbraw/zinc/08/33/35/507083335.db2.gz TZBGZDRORDZXFI-LJQANCHMSA-N 0 3 367.424 3.222 20 30 FGEDHN CC[C@H](CNC[C@H](O)COc1ccccc1C#N)Oc1ccccc1C ZINC000600725765 507085775 /nfs/dbraw/zinc/08/57/75/507085775.db2.gz DIIFGHPVGMBQAK-RBUKOAKNSA-N 0 3 354.450 3.054 20 30 FGEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133307 507111365 /nfs/dbraw/zinc/11/13/65/507111365.db2.gz BRCRRPXSDHJGNJ-QXAKKESOSA-N 0 3 361.530 3.197 20 30 FGEDHN CC[C@@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613497413 507119339 /nfs/dbraw/zinc/11/93/39/507119339.db2.gz IQFWNCPTTHRTEB-NHCUHLMSSA-N 0 3 350.462 3.329 20 30 FGEDHN CN(C(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1)C1CCCCC1 ZINC000594425701 507127746 /nfs/dbraw/zinc/12/77/46/507127746.db2.gz BJGNLTXSRMNSRX-LJQANCHMSA-N 0 3 370.497 3.441 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000594440207 507133579 /nfs/dbraw/zinc/13/35/79/507133579.db2.gz WOLFLAYAQRWKOE-OAHLLOKOSA-N 0 3 353.388 3.264 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cc(Cl)ccc1Br ZINC000594443669 507135181 /nfs/dbraw/zinc/13/51/81/507135181.db2.gz RWWSFJHRZMWGPW-CQSZACIVSA-N 0 3 372.694 3.172 20 30 FGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(OCc2ccccn2)c1 ZINC000594441123 507135420 /nfs/dbraw/zinc/13/54/20/507135420.db2.gz NKGKAGRLEYZIDZ-JXFKEZNVSA-N 0 3 366.465 3.249 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000594441028 507135704 /nfs/dbraw/zinc/13/57/04/507135704.db2.gz LICDTNOUBNCWDH-AWEZNQCLSA-N 0 3 357.483 3.246 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000594446372 507136769 /nfs/dbraw/zinc/13/67/69/507136769.db2.gz RWHZSLKDBCMQCX-GJZGRUSLSA-N 0 3 356.495 3.414 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000594445346 507137458 /nfs/dbraw/zinc/13/74/58/507137458.db2.gz DGLKHZMJFLUHKD-ZWKOTPCHSA-N 0 3 362.905 3.004 20 30 FGEDHN CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CCN(C)C1 ZINC000597946918 507193229 /nfs/dbraw/zinc/19/32/29/507193229.db2.gz SJXTWCOFYIBGDL-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(CN)c3)CC2)cc1 ZINC000591309986 507195321 /nfs/dbraw/zinc/19/53/21/507195321.db2.gz XRCUJJUCQOAXQR-UHFFFAOYSA-N 0 3 350.422 3.092 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)NCc3ccc4c(c3)CNC4)CC2)cc1 ZINC000591360241 507218628 /nfs/dbraw/zinc/21/86/28/507218628.db2.gz FBLRXTFYXRSCLR-UHFFFAOYSA-N 0 3 358.445 3.160 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000591475751 507265992 /nfs/dbraw/zinc/26/59/92/507265992.db2.gz KDPSYGHFGRNMDY-HZPDHXFCSA-N 0 3 356.388 3.157 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc(C4(C#N)CC4)cc3)C2=O)cc1 ZINC000594939277 507322207 /nfs/dbraw/zinc/32/22/07/507322207.db2.gz UOIWVGNOKGXNEL-NRFANRHFSA-N 0 3 370.456 3.004 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(C4(C#N)CC4)cc3)C2=O)cc1 ZINC000594939278 507323101 /nfs/dbraw/zinc/32/31/01/507323101.db2.gz UOIWVGNOKGXNEL-OAQYLSRUSA-N 0 3 370.456 3.004 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCN(C4CCCCC4)C3)on2)c1 ZINC000598218546 507323500 /nfs/dbraw/zinc/32/35/00/507323500.db2.gz HRWLPFRQOLRORA-QGZVFWFLSA-N 0 3 364.449 3.350 20 30 FGEDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000584408536 507330291 /nfs/dbraw/zinc/33/02/91/507330291.db2.gz HBCVONRYRJNPCZ-WBVHZDCISA-N 0 3 371.481 3.187 20 30 FGEDHN COc1ccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1OCCCC#N ZINC000594959624 507331577 /nfs/dbraw/zinc/33/15/77/507331577.db2.gz FUDKCTWYYRJRPG-BFIDETRKSA-N 0 3 364.511 3.157 20 30 FGEDHN CN1CCO[C@@H]([C@@H](NCCc2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000595056061 507372427 /nfs/dbraw/zinc/37/24/27/507372427.db2.gz QAZYIDZIEWDYDC-RTWAWAEBSA-N 0 3 369.896 3.416 20 30 FGEDHN C[C@H](NC[C@H]1CN(C)CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595099855 507391012 /nfs/dbraw/zinc/39/10/12/507391012.db2.gz PEVCIAYGMMHOPP-PXNSSMCTSA-N 0 3 366.484 3.164 20 30 FGEDHN C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598411278 507414548 /nfs/dbraw/zinc/41/45/48/507414548.db2.gz IMBHYRDCLDHXSV-DYESRHJHSA-N 0 3 355.482 3.316 20 30 FGEDHN C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598411288 507414938 /nfs/dbraw/zinc/41/49/38/507414938.db2.gz IMBHYRDCLDHXSV-UWJYYQICSA-N 0 3 355.482 3.316 20 30 FGEDHN CC[C@H](C)C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC ZINC000584604176 507430978 /nfs/dbraw/zinc/43/09/78/507430978.db2.gz BRGCMLWYERWDSY-JXFKEZNVSA-N 0 3 357.498 3.090 20 30 FGEDHN N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1F ZINC000595234403 507433207 /nfs/dbraw/zinc/43/32/07/507433207.db2.gz BGZWVKPLHOUVSY-GDBMZVCRSA-N 0 3 372.375 3.393 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCSCC3)CC2)cc1 ZINC000601739740 507444019 /nfs/dbraw/zinc/44/40/19/507444019.db2.gz LKVDAQNDUIYCNH-GOSISDBHSA-N 0 3 353.491 3.376 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000610989623 507468041 /nfs/dbraw/zinc/46/80/41/507468041.db2.gz JANGDVCPILCGPP-NHCUHLMSSA-N 0 3 365.477 3.069 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@H](CCCN4C4CC4)C3)o2)c1 ZINC000610995346 507472540 /nfs/dbraw/zinc/47/25/40/507472540.db2.gz WGLZBFPXVYNGJZ-IEBWSBKVSA-N 0 3 363.465 3.057 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000610998355 507476181 /nfs/dbraw/zinc/47/61/81/507476181.db2.gz YGSHWQILNYAOLV-WOJBJXKFSA-N 0 3 369.509 3.299 20 30 FGEDHN N#Cc1ccc(CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000595440660 507497359 /nfs/dbraw/zinc/49/73/59/507497359.db2.gz QGNPGHUECWNNAE-NRFANRHFSA-N 0 3 362.477 3.237 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595450021 507503701 /nfs/dbraw/zinc/50/37/01/507503701.db2.gz SRVPMIJAAKELKV-SFTDATJTSA-N 0 3 369.896 3.473 20 30 FGEDHN COC(=O)C[C@@](C)(NCCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000595451605 507505647 /nfs/dbraw/zinc/50/56/47/507505647.db2.gz UQYQWAOQPKILHM-OAQYLSRUSA-N 0 3 352.434 3.177 20 30 FGEDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598596406 507512340 /nfs/dbraw/zinc/51/23/40/507512340.db2.gz PPYKITQPIAFOJD-HKUYNNGSSA-N 0 3 372.513 3.129 20 30 FGEDHN COc1ccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1Br ZINC000598600050 507514810 /nfs/dbraw/zinc/51/48/10/507514810.db2.gz MGBIKYXNNIYOGQ-YPMHNXCESA-N 0 3 355.276 3.409 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(C#N)nc2ccccc21 ZINC000614533766 507555094 /nfs/dbraw/zinc/55/50/94/507555094.db2.gz YMWYDGYRRBPWIK-QHCPKHFHSA-N 0 3 372.472 3.180 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN[C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000602014412 507555358 /nfs/dbraw/zinc/55/53/58/507555358.db2.gz CTZOGSNTVSPKOW-LJQANCHMSA-N 0 3 354.475 3.282 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)C1CC1 ZINC000595586339 507576474 /nfs/dbraw/zinc/57/64/74/507576474.db2.gz JVEHCJVQOFKZPJ-QUCCMNQESA-N 0 3 354.498 3.232 20 30 FGEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000595619447 507596481 /nfs/dbraw/zinc/59/64/81/507596481.db2.gz BEZCWHIBTXIWQM-ZDUSSCGKSA-N 0 3 350.260 3.403 20 30 FGEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1Cl ZINC000598800369 507606616 /nfs/dbraw/zinc/60/66/16/507606616.db2.gz PMCQIHHJVIMSME-NEPJUHHUSA-N 0 3 362.735 3.134 20 30 FGEDHN N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCN3C3CCCC3)CC2)c(F)c1 ZINC000602150959 507607863 /nfs/dbraw/zinc/60/78/63/507607863.db2.gz DLIORSQCDMRVHM-LJQANCHMSA-N 0 3 371.456 3.084 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@]3(C2)CCCOC3)c1 ZINC000585756288 507616504 /nfs/dbraw/zinc/61/65/04/507616504.db2.gz RHTXCFXMESNGBJ-KNQAVFIVSA-N 0 3 369.509 3.441 20 30 FGEDHN N#Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c(Cl)c1 ZINC000598818152 507619240 /nfs/dbraw/zinc/61/92/40/507619240.db2.gz HUCUIUXHZMTDQX-WDEREUQCSA-N 0 3 362.735 3.134 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@@H](CCO)c3ccccc3F)CC2)cc1 ZINC000592376377 507627548 /nfs/dbraw/zinc/62/75/48/507627548.db2.gz HZGMQKLVHVZTQF-QFIPXVFZSA-N 0 3 367.468 3.375 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccnc(C#N)c2)CC1 ZINC000611385440 507655179 /nfs/dbraw/zinc/65/51/79/507655179.db2.gz JQJKKLYWJVVFLD-MRXNPFEDSA-N 0 3 367.472 3.085 20 30 FGEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395079 507661650 /nfs/dbraw/zinc/66/16/50/507661650.db2.gz KANISJPFDDSANX-QVKFZJNVSA-N 0 3 358.445 3.324 20 30 FGEDHN N#Cc1cccc(NC(=O)CCNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595764681 507674972 /nfs/dbraw/zinc/67/49/72/507674972.db2.gz LFDGWDRJSVLHKC-UHFFFAOYSA-N 0 3 374.444 3.054 20 30 FGEDHN COC(=O)c1cccc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595770247 507677833 /nfs/dbraw/zinc/67/78/33/507677833.db2.gz WUHVNLYPMNERKN-UHFFFAOYSA-N 0 3 350.418 3.140 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000586809957 507680931 /nfs/dbraw/zinc/68/09/31/507680931.db2.gz QKAVJGKOGVBLBF-UHFFFAOYSA-N 0 3 351.425 3.472 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(CO)CCCCC1 ZINC000611462876 507691982 /nfs/dbraw/zinc/69/19/82/507691982.db2.gz HRWBHVCKQUFXBM-OAHLLOKOSA-N 0 3 361.511 3.304 20 30 FGEDHN COC(=O)[C@@H](CC(C)(C)C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000592525766 507694520 /nfs/dbraw/zinc/69/45/20/507694520.db2.gz MYPLRDMVVLNBIX-LJQANCHMSA-N 0 3 357.498 3.090 20 30 FGEDHN N#Cc1cc(CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000611488201 507704207 /nfs/dbraw/zinc/70/42/07/507704207.db2.gz AHBICZXXJSORGX-KRWDZBQOSA-N 0 3 350.470 3.499 20 30 FGEDHN N#Cc1cc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccn1 ZINC000611488201 507704211 /nfs/dbraw/zinc/70/42/11/507704211.db2.gz AHBICZXXJSORGX-KRWDZBQOSA-N 0 3 350.470 3.499 20 30 FGEDHN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C[C@@H](C)CCC#N ZINC000602435473 507711215 /nfs/dbraw/zinc/71/12/15/507711215.db2.gz UDNMSJXBOJQHOW-YOEHRIQHSA-N 0 3 360.454 3.106 20 30 FGEDHN COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)s1 ZINC000595915504 507741832 /nfs/dbraw/zinc/74/18/32/507741832.db2.gz ZUILRMGWGZPKQY-INIZCTEOSA-N 0 3 355.463 3.489 20 30 FGEDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735874560 598682973 /nfs/dbraw/zinc/68/29/73/598682973.db2.gz QTPGQGMQDHPYCO-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735874560 598682974 /nfs/dbraw/zinc/68/29/74/598682974.db2.gz QTPGQGMQDHPYCO-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735874560 598682975 /nfs/dbraw/zinc/68/29/75/598682975.db2.gz QTPGQGMQDHPYCO-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735874560 598682976 /nfs/dbraw/zinc/68/29/76/598682976.db2.gz QTPGQGMQDHPYCO-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000736197320 599314311 /nfs/dbraw/zinc/31/43/11/599314311.db2.gz MUFJJYOUXLPLGM-HNNXBMFYSA-N 0 3 374.448 3.343 20 30 FGEDHN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000736197320 599314314 /nfs/dbraw/zinc/31/43/14/599314314.db2.gz MUFJJYOUXLPLGM-HNNXBMFYSA-N 0 3 374.448 3.343 20 30 FGEDHN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820420283 599370972 /nfs/dbraw/zinc/37/09/72/599370972.db2.gz ORKVBGVJOYRSEM-HNNXBMFYSA-N 0 3 373.464 3.058 20 30 FGEDHN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420283 599370975 /nfs/dbraw/zinc/37/09/75/599370975.db2.gz ORKVBGVJOYRSEM-HNNXBMFYSA-N 0 3 373.464 3.058 20 30 FGEDHN N#Cc1cccc([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C(=O)[O-])c1 ZINC000833076457 601298853 /nfs/dbraw/zinc/29/88/53/601298853.db2.gz VKUQBCCQSQEQKE-NRFANRHFSA-N 0 3 363.461 3.460 20 30 FGEDHN CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823958575 609515915 /nfs/dbraw/zinc/51/59/15/609515915.db2.gz RGCCYHIOILFQCR-GOSISDBHSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958575 609515916 /nfs/dbraw/zinc/51/59/16/609515916.db2.gz RGCCYHIOILFQCR-GOSISDBHSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823958575 609515918 /nfs/dbraw/zinc/51/59/18/609515918.db2.gz RGCCYHIOILFQCR-GOSISDBHSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958575 609515920 /nfs/dbraw/zinc/51/59/20/609515920.db2.gz RGCCYHIOILFQCR-GOSISDBHSA-N 0 3 361.453 3.177 20 30 FGEDHN C[C@@H](CCC#N)CNc1cc(N2CCOCC2)c(Br)cn1 ZINC000602686899 673909409 /nfs/dbraw/zinc/90/94/09/673909409.db2.gz SBCXZVFINZQRTK-LBPRGKRZSA-N 0 3 353.264 3.032 20 30 FGEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000046086386 695831943 /nfs/dbraw/zinc/83/19/43/695831943.db2.gz QCAZOUUGZQAFIS-FQEVSTJZSA-N 0 3 355.869 3.457 20 30 FGEDHN CCOCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000105757920 700504450 /nfs/dbraw/zinc/50/44/50/700504450.db2.gz FUIICIJUSAUUFW-ZYHUDNBSSA-N 0 3 373.236 3.082 20 30 FGEDHN CCOCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000105757927 700504460 /nfs/dbraw/zinc/50/44/60/700504460.db2.gz FUIICIJUSAUUFW-PWSUYJOCSA-N 0 3 373.236 3.082 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCSc2ccccn2)cc1 ZINC000120025980 700645919 /nfs/dbraw/zinc/64/59/19/700645919.db2.gz FFGOPTLJSYMGGM-MRXNPFEDSA-N 0 3 353.447 3.474 20 30 FGEDHN N#CC(C(=O)CSc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC000124670190 700723249 /nfs/dbraw/zinc/72/32/49/700723249.db2.gz SWDSQPKSHQCBTF-LLVKDONJSA-N 0 3 357.262 3.417 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNC[C@H]1CSCCS1 ZINC000125231004 700732948 /nfs/dbraw/zinc/73/29/48/700732948.db2.gz ARUGPQLWAOJJLL-AWEZNQCLSA-N 0 3 372.353 3.399 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1nc(C)sc1C ZINC000193815330 713500268 /nfs/dbraw/zinc/50/02/68/713500268.db2.gz CVCQUIFYUCIHDN-ZDUSSCGKSA-N 0 3 357.435 3.049 20 30 FGEDHN C=CCOc1c(Cl)cc(CNCCNC(=O)C(C)(C)C)cc1OC ZINC000623405027 715328681 /nfs/dbraw/zinc/32/86/81/715328681.db2.gz VFEMEPRTWVRIKZ-UHFFFAOYSA-N 0 3 354.878 3.165 20 30 FGEDHN C=CC[C@@H]1CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000623969229 715443495 /nfs/dbraw/zinc/44/34/95/715443495.db2.gz ZJQOUDABEMKYFX-IUDNXUCKSA-N 0 3 359.436 3.399 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)C(=O)COC(F)F)c1ccc(Cl)cc1Cl ZINC000802800856 724408016 /nfs/dbraw/zinc/40/80/16/724408016.db2.gz VXVOYEVRRGLAIN-XCBNKYQSSA-N 0 3 365.163 3.119 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(N(C)c3ccccc3)n2)CC1 ZINC000625322134 715705438 /nfs/dbraw/zinc/70/54/38/715705438.db2.gz SMSSBYJQEIFUCW-UHFFFAOYSA-N 0 3 356.495 3.291 20 30 FGEDHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000625699675 715775372 /nfs/dbraw/zinc/77/53/72/715775372.db2.gz CJVUZRRBSOAJQI-GFCCVEGCSA-N 0 3 357.317 3.367 20 30 FGEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000774053964 723853486 /nfs/dbraw/zinc/85/34/86/723853486.db2.gz PZSUMCLJJAXSGY-CYBMUJFWSA-N 0 3 357.797 3.483 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000655426954 719292113 /nfs/dbraw/zinc/29/21/13/719292113.db2.gz INKPFPIMVITBCQ-QGZVFWFLSA-N 0 3 361.873 3.173 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCS2)cc1Cl ZINC000783356634 724748941 /nfs/dbraw/zinc/74/89/41/724748941.db2.gz RHOGFDHSXOAGHR-BXUZGUMPSA-N 0 3 352.843 3.282 20 30 FGEDHN N#Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164900005 721515637 /nfs/dbraw/zinc/51/56/37/721515637.db2.gz MZZYHFPPJUYQHN-HOCLYGCPSA-N 0 3 372.831 3.088 20 30 FGEDHN N#Cc1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164903959 721583029 /nfs/dbraw/zinc/58/30/29/721583029.db2.gz PLJJJYJZULUFSU-LJQANCHMSA-N 0 3 369.419 3.086 20 30 FGEDHN Cc1sc(=O)n(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1C ZINC000730418757 722468308 /nfs/dbraw/zinc/46/83/08/722468308.db2.gz ZNERIFJFAZNUOD-LLVKDONJSA-N 0 3 361.423 3.152 20 30 FGEDHN C=CCOc1cccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000742724890 722559384 /nfs/dbraw/zinc/55/93/84/722559384.db2.gz WSLQJTHSJJUVNB-OAHLLOKOSA-N 0 3 360.479 3.474 20 30 FGEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000744028596 722572935 /nfs/dbraw/zinc/57/29/35/722572935.db2.gz KVBXBMMTISCBPX-ZDUSSCGKSA-N 0 3 364.829 3.287 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000747560938 722650869 /nfs/dbraw/zinc/65/08/69/722650869.db2.gz JHKBJRBQOBQRQG-GVDBMIGSSA-N 0 3 362.857 3.084 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000750687885 722777650 /nfs/dbraw/zinc/77/76/50/722777650.db2.gz QEWKAJRPZYIKHX-XPTSAGLGSA-N 0 3 365.220 3.178 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCOCC1CC1 ZINC000751827472 722829322 /nfs/dbraw/zinc/82/93/22/722829322.db2.gz SLNJTHXYUCBICZ-ZDUSSCGKSA-N 0 3 364.829 3.121 20 30 FGEDHN CN(CCC1CCOCC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000757841662 722980328 /nfs/dbraw/zinc/98/03/28/722980328.db2.gz UIAYDGRWTPFTSK-HNNXBMFYSA-N 0 3 357.479 3.221 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2sccc2C#N)c1 ZINC000790183485 723112131 /nfs/dbraw/zinc/11/21/31/723112131.db2.gz SNUBVGXQNWMDCR-UHFFFAOYSA-N 0 3 358.467 3.224 20 30 FGEDHN CC1CCC(OCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)CC1 ZINC000796885363 723658203 /nfs/dbraw/zinc/65/82/03/723658203.db2.gz POSMXXHXPXNRPX-IMRCBTMISA-N 0 3 362.857 3.260 20 30 FGEDHN CC(C)CN1N=C(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CCC1=O ZINC000797570547 723836271 /nfs/dbraw/zinc/83/62/71/723836271.db2.gz HIFRKLLMPJUYHJ-GFCCVEGCSA-N 0 3 360.483 3.251 20 30 FGEDHN N#CC(C(=O)C=CSc1cc(F)ccc1F)C(=O)Nc1ccccn1 ZINC000797942680 723888600 /nfs/dbraw/zinc/88/86/00/723888600.db2.gz VYLSPZHTBCMGNV-WAFBPQNNSA-N 0 3 359.357 3.313 20 30 FGEDHN C=CC[C@@H](CO)CNCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000774828662 723934073 /nfs/dbraw/zinc/93/40/73/723934073.db2.gz XBHWWVHHIALVFA-OAHLLOKOSA-N 0 3 351.853 3.307 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccsc2)cc1Cl ZINC000800388143 724190044 /nfs/dbraw/zinc/19/00/44/724190044.db2.gz YVQTXEAONLMGDK-GFCCVEGCSA-N 0 3 364.810 3.136 20 30 FGEDHN CN(C)[C@H](CNc1cc(Br)cnc1C#N)c1cccs1 ZINC000787889990 725040161 /nfs/dbraw/zinc/04/01/61/725040161.db2.gz VTAOKKKZBJVPRA-CYBMUJFWSA-N 0 3 351.273 3.492 20 30 FGEDHN N#Cc1ccc([C@H](O)CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000805766611 725093228 /nfs/dbraw/zinc/09/32/28/725093228.db2.gz NITIBSVQZZEHLT-ILZDJORESA-N 0 3 354.475 3.092 20 30 FGEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000805855416 725100733 /nfs/dbraw/zinc/10/07/33/725100733.db2.gz IVAXOHVTEIBJPW-NHNAUAITSA-N 0 3 355.221 3.456 20 30 FGEDHN C#Cc1cccc(NC(=S)N[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000789393614 725126356 /nfs/dbraw/zinc/12/63/56/725126356.db2.gz KMYVIRIDEVWOQR-LJQANCHMSA-N 0 3 353.491 3.266 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810529602 725312872 /nfs/dbraw/zinc/31/28/72/725312872.db2.gz KJYXBOQEJPTXPT-NEPJUHHUSA-N 0 3 366.870 3.448 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(F)c(Br)c1 ZINC000813059478 726834134 /nfs/dbraw/zinc/83/41/34/726834134.db2.gz AGSXFOVJMMLAPH-CABZTGNLSA-N 0 3 367.218 3.069 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C#Cc1cccs1 ZINC000825818628 729396341 /nfs/dbraw/zinc/39/63/41/729396341.db2.gz BNNJYZUVFLOSPE-GOSISDBHSA-N 0 3 353.491 3.008 20 30 FGEDHN C#CCCN(CCOC)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000827823629 729435565 /nfs/dbraw/zinc/43/55/65/729435565.db2.gz RTUNDXORENKBOQ-UHFFFAOYSA-N 0 3 368.271 3.082 20 30 FGEDHN C[C@](CO)(NC[C@H](O)c1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000832304139 729704062 /nfs/dbraw/zinc/70/40/62/729704062.db2.gz ZDOMKJKHUJZPKW-ZWKOTPCHSA-N 0 3 365.260 3.396 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSC1CC1 ZINC000835063152 729854696 /nfs/dbraw/zinc/85/46/96/729854696.db2.gz HTJUQFCQVJQZDS-NSHDSACASA-N 0 3 352.843 3.200 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000836288226 729950761 /nfs/dbraw/zinc/95/07/61/729950761.db2.gz NNBODOSWNKRRCK-HNNXBMFYSA-N 0 3 356.495 3.125 20 30 FGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCc1scnc1C)c1ccccc1 ZINC000842343300 730487756 /nfs/dbraw/zinc/48/77/56/730487756.db2.gz VMOFATYWWDOPOG-CVEARBPZSA-N 0 3 355.463 3.361 20 30 FGEDHN N#CCOc1cc(F)ccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844426131 730716162 /nfs/dbraw/zinc/71/61/62/730716162.db2.gz HGQMFDUWYQUWDL-NWDGAFQWSA-N 0 3 360.307 3.414 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000848398158 731160707 /nfs/dbraw/zinc/16/07/07/731160707.db2.gz DKZHNYADSGDIOX-ZWKOTPCHSA-N 0 3 363.889 3.023 20 30 FGEDHN C=CCN1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848528177 731175701 /nfs/dbraw/zinc/17/57/01/731175701.db2.gz JOLCRGNPSXUWEH-GFCCVEGCSA-N 0 3 369.303 3.464 20 30 FGEDHN O=[S@@](CCNCc1ccc(F)c(C(F)(F)F)c1)CC(F)(F)F ZINC000850348359 731345666 /nfs/dbraw/zinc/34/56/66/731345666.db2.gz KHAUJGNZDNRFJP-QFIPXVFZSA-N 0 3 351.287 3.245 20 30 FGEDHN O=[S@@](CCNCc1cc(F)cc(C(F)(F)F)c1)CC(F)(F)F ZINC000850348839 731346021 /nfs/dbraw/zinc/34/60/21/731346021.db2.gz VVMUFVFXOCPJSY-QFIPXVFZSA-N 0 3 351.287 3.245 20 30 FGEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1COC2(CCC2)C1 ZINC000850368571 731349014 /nfs/dbraw/zinc/34/90/14/731349014.db2.gz ZTQVQWBHKQCXMR-HNNXBMFYSA-N 0 3 350.256 3.262 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NCC2(S(=O)(=O)CC)CC2)cc1 ZINC000850557272 731372713 /nfs/dbraw/zinc/37/27/13/731372713.db2.gz NOUDERSAYZXZMB-AWEZNQCLSA-N 0 3 357.903 3.436 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000850758862 731385575 /nfs/dbraw/zinc/38/55/75/731385575.db2.gz JWDSKKRFPIAISO-JTNHKYCSSA-N 0 3 352.793 3.330 20 30 FGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000850977567 731408265 /nfs/dbraw/zinc/40/82/65/731408265.db2.gz YTRHJRJJCOCVLC-ZIAGYGMSSA-N 0 3 353.249 3.294 20 30 FGEDHN C=CCN1CCC(NC(=O)OCc2ccc(Br)cc2)CC1 ZINC000858951063 732261773 /nfs/dbraw/zinc/26/17/73/732261773.db2.gz SYRBSZQPOKGCEZ-UHFFFAOYSA-N 0 3 353.260 3.326 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000859250661 732297165 /nfs/dbraw/zinc/29/71/65/732297165.db2.gz MWIQRQXASYGVGS-UHFFFAOYSA-N 0 3 359.417 3.464 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC(F)(F)C(F)(F)F ZINC000865040331 733132632 /nfs/dbraw/zinc/13/26/32/733132632.db2.gz MIFOOLHQITZBEJ-UHFFFAOYSA-N 0 3 363.330 3.036 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2cc(Cl)cc(Cl)c2F)CCOCC1 ZINC000872234861 735606582 /nfs/dbraw/zinc/60/65/82/735606582.db2.gz IMJABAGCUOHKBV-CYBMUJFWSA-N 0 3 361.244 3.293 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)CC1 ZINC000872902615 735694067 /nfs/dbraw/zinc/69/40/67/735694067.db2.gz OXUWTQBMKWGJDR-LBPRGKRZSA-N 0 3 356.392 3.111 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000876551679 736112865 /nfs/dbraw/zinc/11/28/65/736112865.db2.gz XYHRYVCVKSEEJH-NSHDSACASA-N 0 3 366.767 3.139 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000876653324 736127120 /nfs/dbraw/zinc/12/71/20/736127120.db2.gz MVVHOHYYNRMUKC-CVEARBPZSA-N 0 3 357.281 3.082 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000876653326 736127147 /nfs/dbraw/zinc/12/71/47/736127147.db2.gz MVVHOHYYNRMUKC-HOTGVXAUSA-N 0 3 357.281 3.082 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000876725150 736136427 /nfs/dbraw/zinc/13/64/27/736136427.db2.gz NJZGXMLBAJPSKO-KDOFPFPSSA-N 0 3 359.857 3.308 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000876891022 736158578 /nfs/dbraw/zinc/15/85/78/736158578.db2.gz OIYBXWQBGRPOJI-UWVGGRQHSA-N 0 3 367.824 3.338 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000877005933 736173716 /nfs/dbraw/zinc/17/37/16/736173716.db2.gz CNKNFLNZDHDCBK-PBHICJAKSA-N 0 3 356.388 3.125 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCSC[C@@H]1c1ccccc1OC ZINC000877454073 736221116 /nfs/dbraw/zinc/22/11/16/736221116.db2.gz PSHSEMIFBHVEGY-LSDHHAIUSA-N 0 3 354.903 3.172 20 30 FGEDHN C#CC[C@@H](CO)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000883123967 737527284 /nfs/dbraw/zinc/52/72/84/737527284.db2.gz QTDWYDXQJYGGNB-ZDUSSCGKSA-N 0 3 351.269 3.046 20 30 FGEDHN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884092029 737632439 /nfs/dbraw/zinc/63/24/39/737632439.db2.gz QTGHWZXKKBTMOT-UIORMTCPSA-N 0 3 352.265 3.091 20 30 FGEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(F)cc1Cl ZINC000884138486 737637131 /nfs/dbraw/zinc/63/71/31/737637131.db2.gz PWKDPWULFVTAAP-FWHMADFJSA-N 0 3 363.864 3.012 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cc(F)ccc1SCC(F)F)C2 ZINC000884146894 737637527 /nfs/dbraw/zinc/63/75/27/737637527.db2.gz UVHHWUBUQSYMIR-GCULGPDHSA-N 0 3 369.412 3.261 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(CCC(F)(F)F)cc1)C2 ZINC000884159729 737639159 /nfs/dbraw/zinc/63/91/59/737639159.db2.gz LYQQIQORRIUYDE-XOYHFGRZSA-N 0 3 351.372 3.259 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3c(Cl)cc(Cl)cc3C1)C2 ZINC000884321740 737655239 /nfs/dbraw/zinc/65/52/39/737655239.db2.gz XHWNDNXBKFTRKR-XYEKJYRLSA-N 0 3 364.276 3.017 20 30 FGEDHN C#CCN(C(=O)c1ccc(Cl)cc1Br)C1CCN(C)CC1 ZINC000886579951 739271955 /nfs/dbraw/zinc/27/19/55/739271955.db2.gz OWJRZNMDQYBPHM-UHFFFAOYSA-N 0 3 369.690 3.272 20 30 FGEDHN C[C@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@H](c1ccccc1)N(C)C ZINC000894751172 742327365 /nfs/dbraw/zinc/32/73/65/742327365.db2.gz QRIOKXYZKFCEOL-KBXCAEBGSA-N 0 3 356.495 3.453 20 30 FGEDHN CN(C)Cc1cccc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c1 ZINC000899098574 742871858 /nfs/dbraw/zinc/87/18/58/742871858.db2.gz NABJLFYYRPVGAK-UHFFFAOYSA-N 0 3 360.273 3.311 20 30 FGEDHN C[C@@](O)(CNCc1ccnc(C(F)(F)F)c1)C(F)(F)C(F)(F)F ZINC000905273889 744008541 /nfs/dbraw/zinc/00/85/41/744008541.db2.gz OWERIBPSKYNELJ-SECBINFHSA-N 0 3 352.225 3.139 20 30 FGEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000912425640 757324500 /nfs/dbraw/zinc/32/45/00/757324500.db2.gz IQWXNDVVUJHWKF-KRWDZBQOSA-N 0 3 359.857 3.172 20 30 FGEDHN N#Cc1cccc([C@H](NC(=O)[C@H]2CC[C@@H]3CCCCN23)C(F)(F)F)c1 ZINC000913782083 757587964 /nfs/dbraw/zinc/58/79/64/757587964.db2.gz JLGVKOZBTBESRZ-XHSDSOJGSA-N 0 3 351.372 3.295 20 30 FGEDHN N#CC(C(=O)C1=Cc2cc(Br)ccc2OC1)c1ccccn1 ZINC000916881942 758149993 /nfs/dbraw/zinc/14/99/93/758149993.db2.gz WFKCVFPGTCXOHA-AWEZNQCLSA-N 0 3 355.191 3.496 20 30 FGEDHN C=CCN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)C(C)C ZINC000917069878 758174415 /nfs/dbraw/zinc/17/44/15/758174415.db2.gz ZALFDXWJUZTTSJ-IBGZPJMESA-N 0 3 363.933 3.490 20 30 FGEDHN CCn1c(Br)c(Br)nc1CNCCCCC#N ZINC000921682342 758769926 /nfs/dbraw/zinc/76/99/26/758769926.db2.gz DPRMHZMUIRPRSK-UHFFFAOYSA-N 0 3 364.085 3.211 20 30 FGEDHN Cc1cc(N2CCC(NCc3cc(C#N)ccc3Br)CC2)n[nH]1 ZINC000922035275 758839825 /nfs/dbraw/zinc/83/98/25/758839825.db2.gz DJXZMVJXMHHDJH-UHFFFAOYSA-N 0 3 374.286 3.111 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)N(C)C)cc1 ZINC000932901092 761267576 /nfs/dbraw/zinc/26/75/76/761267576.db2.gz ZDNNKBRDMSZLQM-ZIAGYGMSSA-N 0 3 374.432 3.155 20 30 FGEDHN CC(C)(O)CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945084 761282713 /nfs/dbraw/zinc/28/27/13/761282713.db2.gz QWPPDZVSFQBKAS-OCAPTIKFSA-N 0 3 355.269 3.250 20 30 FGEDHN N#CCSCCCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000933636133 761444099 /nfs/dbraw/zinc/44/40/99/761444099.db2.gz FWQSTOICRQCNBC-MRXNPFEDSA-N 0 3 351.903 3.181 20 30 FGEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](Cc2nccs2)C1)c1ccccc1 ZINC000934333280 761597851 /nfs/dbraw/zinc/59/78/51/761597851.db2.gz VUSJRAGTIZRDPW-FXAWDEMLSA-N 0 3 353.491 3.448 20 30 FGEDHN C#CCCN1CCCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1 ZINC000981185022 763461772 /nfs/dbraw/zinc/46/17/72/763461772.db2.gz POTXBFHVVQVPFG-GQGLESIBSA-N 0 3 356.432 3.159 20 30 FGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C[C@]2(C)C1 ZINC000982629889 763588906 /nfs/dbraw/zinc/58/89/06/763588906.db2.gz GLQXNBFITJYSQR-IZZBFERCSA-N 0 3 356.897 3.247 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC(NCc2sccc2Cl)C1 ZINC000999540226 765169994 /nfs/dbraw/zinc/16/99/94/765169994.db2.gz SQCDCXKGDNGTCX-QKRUXVEJSA-N 0 3 368.930 3.462 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001001933741 765307276 /nfs/dbraw/zinc/30/72/76/765307276.db2.gz KDWMRBLTGBJZLE-OALUTQOASA-N 0 3 362.539 3.448 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001014471977 765783107 /nfs/dbraw/zinc/78/31/07/765783107.db2.gz UKXSPBYPZUXZDH-QRVBRYPASA-N 0 3 362.901 3.054 20 30 FGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001016686203 765820380 /nfs/dbraw/zinc/82/03/80/765820380.db2.gz VEZJMCNTAGFLRD-OWCLPIDISA-N 0 3 356.432 3.349 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001019498672 765859829 /nfs/dbraw/zinc/85/98/29/765859829.db2.gz MDQBAZQYTBRYOL-MPGHIAIKSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1 ZINC001039205108 766294243 /nfs/dbraw/zinc/29/42/43/766294243.db2.gz KPHJGRBOLQIYHP-NXHRZFHOSA-N 0 3 354.922 3.115 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001040881052 766329513 /nfs/dbraw/zinc/32/95/13/766329513.db2.gz HVFALGOHURDKTD-QHKPGKFVSA-N 0 3 352.906 3.035 20 30 FGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001041735953 766341181 /nfs/dbraw/zinc/34/11/81/766341181.db2.gz KYPAWKVHFVFAFE-QKNQBKEWSA-N 0 3 356.897 3.391 20 30 FGEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001046977068 766614928 /nfs/dbraw/zinc/61/49/28/766614928.db2.gz DVYDAILPUFXGKC-BZUAXINKSA-N 0 3 366.477 3.257 20 30 FGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001049552315 766793644 /nfs/dbraw/zinc/79/36/44/766793644.db2.gz MYMPOLNLCQDQOQ-VQHPVUNQSA-N 0 3 354.416 3.220 20 30 FGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[C@@H]2C1 ZINC001050164069 766823960 /nfs/dbraw/zinc/82/39/60/766823960.db2.gz ZVDYOTSSQIESNJ-IJXRJRJASA-N 0 3 356.897 3.390 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328630910 210120611 /nfs/dbraw/zinc/12/06/11/210120611.db2.gz JVWZBRVDUOTKIF-LAUBAEHRSA-N 0 3 369.488 3.336 20 30 FGEDHN COc1cccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)c(OC)c2)c1 ZINC000570977763 505625250 /nfs/dbraw/zinc/62/52/50/505625250.db2.gz DGKXTGMKIQBWBP-CQSZACIVSA-N 0 3 353.422 3.082 20 30 FGEDHN C=CCn1c(SCCN(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000057494194 493768358 /nfs/dbraw/zinc/76/83/58/493768358.db2.gz QYKIQFMYCNWDAF-LBPRGKRZSA-N 0 3 363.552 3.423 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)c2cc(C#N)cn2C)c2cccs2)CC1 ZINC000080942107 493796408 /nfs/dbraw/zinc/79/64/08/493796408.db2.gz WXKKGPBJSKJEGM-KRWDZBQOSA-N 0 3 356.495 3.161 20 30 FGEDHN CC1CCN(CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048426123 493827612 /nfs/dbraw/zinc/82/76/12/493827612.db2.gz XFTNPPACHGRWOC-UHFFFAOYSA-N 0 3 367.415 3.088 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081124936 493836341 /nfs/dbraw/zinc/83/63/41/493836341.db2.gz XHLNQEGOMFSCBG-YLJYHZDGSA-N 0 3 363.461 3.058 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CC2CCCCC2)CC1 ZINC000049981837 493888724 /nfs/dbraw/zinc/88/87/24/493888724.db2.gz CLVOQOVXGUNOJK-QGZVFWFLSA-N 0 3 354.498 3.083 20 30 FGEDHN COCCOc1cncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000577205135 505687395 /nfs/dbraw/zinc/68/73/95/505687395.db2.gz DYUDHTRWKPHLJE-AWEZNQCLSA-N 0 3 365.311 3.011 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000051499753 493972423 /nfs/dbraw/zinc/97/24/23/493972423.db2.gz XCFHSJHXJLUXIF-UHFFFAOYSA-N 0 3 355.482 3.052 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000076972900 494001006 /nfs/dbraw/zinc/00/10/06/494001006.db2.gz NXOWNQJYVSBDIX-GOSISDBHSA-N 0 3 359.489 3.440 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C#N)cc1 ZINC000077533443 494106822 /nfs/dbraw/zinc/10/68/22/494106822.db2.gz XLMAPUGJESGDCI-SFHVURJKSA-N 0 3 362.477 3.364 20 30 FGEDHN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000077866318 494194215 /nfs/dbraw/zinc/19/42/15/494194215.db2.gz SVMWCAXYEPJUEQ-CYBMUJFWSA-N 0 3 359.773 3.056 20 30 FGEDHN Cc1cc(C)cc(C[C@@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000574150829 505705525 /nfs/dbraw/zinc/70/55/25/505705525.db2.gz GXTPKLRQODLRIK-QGZVFWFLSA-N 0 3 356.491 3.170 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3cccc(CC#N)c3)c(C)c2)CC1 ZINC000042348439 494218866 /nfs/dbraw/zinc/21/88/66/494218866.db2.gz CTHQUAFYUSWWGJ-UHFFFAOYSA-N 0 3 362.477 3.455 20 30 FGEDHN C[C@H](Cc1ccccc1F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000078069944 494221841 /nfs/dbraw/zinc/22/18/41/494221841.db2.gz DQYWOYFMWXWZDL-QGZVFWFLSA-N 0 3 367.468 3.466 20 30 FGEDHN Cc1cc2ccccc2n1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931005 494256962 /nfs/dbraw/zinc/25/69/62/494256962.db2.gz QRFRPSOQICAZAD-UHFFFAOYSA-N 0 3 374.488 3.412 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccco2)on1 ZINC000065930688 494256984 /nfs/dbraw/zinc/25/69/84/494256984.db2.gz QQKKUAKNORWKKR-UHFFFAOYSA-N 0 3 364.405 3.010 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(F)cc1 ZINC000065931091 494257056 /nfs/dbraw/zinc/25/70/56/494257056.db2.gz KZBYPEXCIPAPLJ-UHFFFAOYSA-N 0 3 353.441 3.220 20 30 FGEDHN COc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065987095 494265760 /nfs/dbraw/zinc/26/57/60/494265760.db2.gz JWJARCQTBDLFPC-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000055030422 494292451 /nfs/dbraw/zinc/29/24/51/494292451.db2.gz HMQCOVULTIOQSB-UHFFFAOYSA-N 0 3 364.449 3.223 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(F)(c3ccccn3)CC2)cc1 ZINC000580244681 505711666 /nfs/dbraw/zinc/71/16/66/505711666.db2.gz QHNSPCOQVJDXQD-UHFFFAOYSA-N 0 3 352.413 3.243 20 30 FGEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1c(F)cccc1Cl ZINC000568512342 505712931 /nfs/dbraw/zinc/71/29/31/505712931.db2.gz NMQBEFOGKSMIGO-UHFFFAOYSA-N 0 3 357.820 3.461 20 30 FGEDHN N#CCOc1cccc(CC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 ZINC000089773783 494361133 /nfs/dbraw/zinc/36/11/33/494361133.db2.gz SWRLTZPMTAWFAN-IBGZPJMESA-N 0 3 361.445 3.143 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000016468863 494390839 /nfs/dbraw/zinc/39/08/39/494390839.db2.gz WQFXYOFUIZQGPQ-FQEVSTJZSA-N 0 3 351.450 3.136 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000066726931 494396567 /nfs/dbraw/zinc/39/65/67/494396567.db2.gz NPKGXRIXSPJRDT-KRWDZBQOSA-N 0 3 365.477 3.436 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000066726930 494396896 /nfs/dbraw/zinc/39/68/96/494396896.db2.gz NPKGXRIXSPJRDT-QGZVFWFLSA-N 0 3 365.477 3.436 20 30 FGEDHN Cc1ccccc1CN1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000045343540 494418244 /nfs/dbraw/zinc/41/82/44/494418244.db2.gz XHNWEBYEICNEPV-UHFFFAOYSA-N 0 3 368.506 3.075 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079504170 494468112 /nfs/dbraw/zinc/46/81/12/494468112.db2.gz NRZINJNVRYODKP-OAQYLSRUSA-N 0 3 362.477 3.364 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nc2onc(C)c21)C(C)C ZINC000046049063 494489923 /nfs/dbraw/zinc/48/99/23/494489923.db2.gz ACLWVOQARGADON-QGZVFWFLSA-N 0 3 356.470 3.268 20 30 FGEDHN C[C@@H]1CN(CC2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@H](C)O1 ZINC000091478506 494606996 /nfs/dbraw/zinc/60/69/96/494606996.db2.gz KXEPCJIQQHGCRD-CALCHBBNSA-N 0 3 364.493 3.432 20 30 FGEDHN N#Cc1ccccc1N1CCCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000091792540 494683281 /nfs/dbraw/zinc/68/32/81/494683281.db2.gz JJPZIGCLKPLNKQ-UHFFFAOYSA-N 0 3 358.449 3.056 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000025056795 494693371 /nfs/dbraw/zinc/69/33/71/494693371.db2.gz QZFUSYPRSUGNJY-UHFFFAOYSA-N 0 3 361.445 3.482 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cc(C)c(C#N)cn3)C2)s1 ZINC000571453218 505736695 /nfs/dbraw/zinc/73/66/95/505736695.db2.gz OAAQAYGXCHUYHU-MRXNPFEDSA-N 0 3 368.506 3.226 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)nc1 ZINC000080691704 494767840 /nfs/dbraw/zinc/76/78/40/494767840.db2.gz XZHWXQGXKZJPIC-KRWDZBQOSA-N 0 3 358.873 3.366 20 30 FGEDHN COC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000131936105 494778610 /nfs/dbraw/zinc/77/86/10/494778610.db2.gz SSYRGEAIUCPOCA-LLVKDONJSA-N 0 3 365.311 3.322 20 30 FGEDHN C[C@H]1CN(C2CCN(Cc3cccc(OCCCC#N)c3)CC2)CCO1 ZINC000092079204 494783042 /nfs/dbraw/zinc/78/30/42/494783042.db2.gz PRYSSEZZDREPTM-SFHVURJKSA-N 0 3 357.498 3.054 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000093017038 494810362 /nfs/dbraw/zinc/81/03/62/494810362.db2.gz TZYOWEPLFFFUPR-GOSISDBHSA-N 0 3 364.917 3.449 20 30 FGEDHN C/C=C/c1ccc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000027208177 494856581 /nfs/dbraw/zinc/85/65/81/494856581.db2.gz GZHFFTXTJFDZHY-XXIDSNJLSA-N 0 3 366.461 3.472 20 30 FGEDHN CN(C(=O)c1sccc1C#N)c1ccc(OCCN2CCCC2)cc1 ZINC000126911998 494860299 /nfs/dbraw/zinc/86/02/99/494860299.db2.gz LVSCWHUSYJRTGO-UHFFFAOYSA-N 0 3 355.463 3.371 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000116908436 494869509 /nfs/dbraw/zinc/86/95/09/494869509.db2.gz AFMLKHDFUCDENE-ZBFHGGJFSA-N 0 3 357.479 3.022 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CC[C@@H](C)O)cc1OC ZINC000093481530 494896260 /nfs/dbraw/zinc/89/62/60/494896260.db2.gz UPLCYLZNOKLQDK-GFCCVEGCSA-N 0 3 358.276 3.225 20 30 FGEDHN C=CCCOCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000127211913 494909919 /nfs/dbraw/zinc/90/99/19/494909919.db2.gz FWAWZRMQNNNEEO-NVXWUHKLSA-N 0 3 351.516 3.023 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C[C@H]2CCOC2)cc1OC ZINC000093840024 494925877 /nfs/dbraw/zinc/92/58/77/494925877.db2.gz IMOIDXRJNAHEPQ-CYBMUJFWSA-N 0 3 370.287 3.491 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1OCC(F)(F)F ZINC000122121203 494927648 /nfs/dbraw/zinc/92/76/48/494927648.db2.gz UAQVBDBEWRRTEG-GFCCVEGCSA-N 0 3 374.322 3.399 20 30 FGEDHN Cn1ccnc1[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000127673599 494979390 /nfs/dbraw/zinc/97/93/90/494979390.db2.gz ADGZGCNBYYNVFZ-QFBILLFUSA-N 0 3 353.445 3.141 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C2CC2)CCC1 ZINC000133251760 494990965 /nfs/dbraw/zinc/99/09/65/494990965.db2.gz XVPZGUWGFAXWIH-UHFFFAOYSA-N 0 3 354.498 3.212 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000133470046 495018171 /nfs/dbraw/zinc/01/81/71/495018171.db2.gz SEJLLGNKVHRLPN-WOJBJXKFSA-N 0 3 354.475 3.258 20 30 FGEDHN C[C@H](CCNCc1cccc(OCc2ccccc2C#N)c1)[S@@](C)=O ZINC000133481923 495019051 /nfs/dbraw/zinc/01/90/51/495019051.db2.gz SNLKVASJYAEWCS-CPJLOUKISA-N 0 3 356.491 3.384 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123078005 495076860 /nfs/dbraw/zinc/07/68/60/495076860.db2.gz KZLAVDIUNJVMMD-MGPUTAFESA-N 0 3 356.441 3.398 20 30 FGEDHN Cc1cc(NC(=O)C2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)no1 ZINC000123391310 495125705 /nfs/dbraw/zinc/12/57/05/495125705.db2.gz DSSUAYMROBPTEO-OAHLLOKOSA-N 0 3 368.437 3.125 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN(CCCO)Cc2cccc(Cl)c2)cc1 ZINC000134290918 495130858 /nfs/dbraw/zinc/13/08/58/495130858.db2.gz XGKRZRUKYIGULP-UHFFFAOYSA-N 0 3 371.868 3.425 20 30 FGEDHN COc1ccc([C@H](CCO)NCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000128747555 495144370 /nfs/dbraw/zinc/14/43/70/495144370.db2.gz WWDNQMNYBLUIIY-NRFANRHFSA-N 0 3 353.466 3.258 20 30 FGEDHN C[C@H](CCS(C)(=O)=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000134579976 495171033 /nfs/dbraw/zinc/17/10/33/495171033.db2.gz TUFAPVBOGVLZOM-MRXNPFEDSA-N 0 3 372.490 3.050 20 30 FGEDHN CCOc1ccc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000119673786 495214910 /nfs/dbraw/zinc/21/49/10/495214910.db2.gz ZHQNDERIRUYWMI-YJBOKZPZSA-N 0 3 370.449 3.056 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000124151421 495242352 /nfs/dbraw/zinc/24/23/52/495242352.db2.gz WGWVLZMQUGSICL-UHFFFAOYSA-N 0 3 372.856 3.474 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000119928485 495271518 /nfs/dbraw/zinc/27/15/18/495271518.db2.gz GIXHMYWDDPHTDQ-UTKZUKDTSA-N 0 3 359.473 3.492 20 30 FGEDHN C[C@H](NC1(CNC(=O)C2(C#N)CCCC2)CCOCC1)c1ccccc1 ZINC000113236923 495288441 /nfs/dbraw/zinc/28/84/41/495288441.db2.gz JKQOXTQLHWPACZ-KRWDZBQOSA-N 0 3 355.482 3.087 20 30 FGEDHN C=CCc1cc(CNC(=O)c2ccc(CN(C)C)cc2)cc(OC)c1OC ZINC000120112664 495310050 /nfs/dbraw/zinc/31/00/50/495310050.db2.gz NZNYVBWJKIOSNR-UHFFFAOYSA-N 0 3 368.477 3.424 20 30 FGEDHN C=C[C@@H](CC(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1)c1ccccc1 ZINC000124619916 495317995 /nfs/dbraw/zinc/31/79/95/495317995.db2.gz RQZQSBSJGNDPJO-FXAWDEMLSA-N 0 3 368.477 3.286 20 30 FGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000114480640 495381304 /nfs/dbraw/zinc/38/13/04/495381304.db2.gz DFQCBQRFJXWNAP-UHFFFAOYSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000125118084 495393324 /nfs/dbraw/zinc/39/33/24/495393324.db2.gz ITNCJOMNFCFWNW-YWZLYKJASA-N 0 3 366.440 3.017 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(CCC(C)(C)C)CC2)c(C#N)c1C ZINC000125298096 495422055 /nfs/dbraw/zinc/42/20/55/495422055.db2.gz KNRHOMOTDQXWPM-HNNXBMFYSA-N 0 3 360.502 3.149 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](c2ccco2)N(CC)CC)CC1 ZINC000106335967 495445896 /nfs/dbraw/zinc/44/58/96/495445896.db2.gz WQVBHMJRFDYVOR-SFHVURJKSA-N 0 3 362.518 3.002 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000106349511 495447473 /nfs/dbraw/zinc/44/74/73/495447473.db2.gz KGZPIQOFCPRENJ-UHFFFAOYSA-N 0 3 370.280 3.089 20 30 FGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C2CCC(C)CC2)CC1 ZINC000115567150 495518628 /nfs/dbraw/zinc/51/86/28/495518628.db2.gz AXMHNDAYJXFGRD-GNZRSQJKSA-N 0 3 354.498 3.082 20 30 FGEDHN N#Cc1ccc([C@@H](NCC2(c3ccc(F)cc3)CCCC2)C(N)=O)cc1 ZINC000115597172 495520767 /nfs/dbraw/zinc/52/07/67/495520767.db2.gz NJBXGWFMMHJBPQ-LJQANCHMSA-N 0 3 351.425 3.325 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1C#N ZINC000107601513 495529472 /nfs/dbraw/zinc/52/94/72/495529472.db2.gz UNYOAYQTEFVTSI-OAHLLOKOSA-N 0 3 370.522 3.253 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000185623990 495650937 /nfs/dbraw/zinc/65/09/37/495650937.db2.gz MIENPOMEUDPXOR-UHFFFAOYSA-N 0 3 362.477 3.461 20 30 FGEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1nccs1 ZINC000159159607 495673165 /nfs/dbraw/zinc/67/31/65/495673165.db2.gz UVLNTSUDAHUDQK-UHFFFAOYSA-N 0 3 374.535 3.458 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000179666604 495682481 /nfs/dbraw/zinc/68/24/81/495682481.db2.gz WBSBUBAJVJOWQW-NRFANRHFSA-N 0 3 364.493 3.429 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccccc2N2CCCCC2)CC1 ZINC000182737579 495683061 /nfs/dbraw/zinc/68/30/61/495683061.db2.gz YOLHEDWWRPQHSX-UHFFFAOYSA-N 0 3 356.514 3.127 20 30 FGEDHN N#Cc1ccc(OCCN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000179729870 495709434 /nfs/dbraw/zinc/70/94/34/495709434.db2.gz GHCGVLDCKSDBPV-OAQYLSRUSA-N 0 3 350.418 3.449 20 30 FGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000185766413 495719029 /nfs/dbraw/zinc/71/90/29/495719029.db2.gz VCNNVKAQMXCFII-ROUUACIJSA-N 0 3 361.511 3.033 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000179874237 495766284 /nfs/dbraw/zinc/76/62/84/495766284.db2.gz MTHUIEGPUHEJHN-FQEVSTJZSA-N 0 3 360.461 3.215 20 30 FGEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCC1 ZINC000182943221 495768094 /nfs/dbraw/zinc/76/80/94/495768094.db2.gz ALCMFGPBEDDWGA-OAHLLOKOSA-N 0 3 351.454 3.241 20 30 FGEDHN C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCC[C@H](C)C1 ZINC000171304792 495812999 /nfs/dbraw/zinc/81/29/99/495812999.db2.gz RTUAJZGHUCREBZ-IRXDYDNUSA-N 0 3 354.498 3.353 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC(=O)NCc1cccs1)c1ccccc1 ZINC000180045864 495835841 /nfs/dbraw/zinc/83/58/41/495835841.db2.gz YJLZKOABANAHQK-QGZVFWFLSA-N 0 3 357.479 3.371 20 30 FGEDHN CCC[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000183140622 495851585 /nfs/dbraw/zinc/85/15/85/495851585.db2.gz GOIKCLNYRJDVHT-WOJBJXKFSA-N 0 3 357.498 3.044 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000183147250 495853824 /nfs/dbraw/zinc/85/38/24/495853824.db2.gz UFVRCPAKWLPNLG-MRXNPFEDSA-N 0 3 365.481 3.174 20 30 FGEDHN CN(CCCNC(=O)NCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000171482700 495895988 /nfs/dbraw/zinc/89/59/88/495895988.db2.gz PMNYUQSDSXQAQT-UHFFFAOYSA-N 0 3 354.429 3.019 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000171484262 495896251 /nfs/dbraw/zinc/89/62/51/495896251.db2.gz KZUGOAOKASWWQK-IBGZPJMESA-N 0 3 366.440 3.161 20 30 FGEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000186247129 495912864 /nfs/dbraw/zinc/91/28/64/495912864.db2.gz HUYZNMKFAJCPHP-CVEARBPZSA-N 0 3 354.454 3.141 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)NCc1cccc(C#N)c1 ZINC000160251675 495918302 /nfs/dbraw/zinc/91/83/02/495918302.db2.gz PZARVTPSZYNZSV-UHFFFAOYSA-N 0 3 363.465 3.011 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000171548282 495923378 /nfs/dbraw/zinc/92/33/78/495923378.db2.gz CWBLHNRKTWWTEN-UHFFFAOYSA-N 0 3 371.403 3.425 20 30 FGEDHN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000186288538 495930677 /nfs/dbraw/zinc/93/06/77/495930677.db2.gz UVLSNOSSRXTLOI-UHFFFAOYSA-N 0 3 369.918 3.002 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccccc1C#N ZINC000174374890 495932821 /nfs/dbraw/zinc/93/28/21/495932821.db2.gz ADAVFLNYQMCDPA-HOTGVXAUSA-N 0 3 359.433 3.422 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN(CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000177142165 495945124 /nfs/dbraw/zinc/94/51/24/495945124.db2.gz IGSZIRIPFXQBDT-OAQYLSRUSA-N 0 3 363.461 3.220 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 ZINC000171637621 495959979 /nfs/dbraw/zinc/95/99/79/495959979.db2.gz NMLIAIQIYBLVTK-UHFFFAOYSA-N 0 3 370.497 3.003 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000151831129 495961497 /nfs/dbraw/zinc/96/14/97/495961497.db2.gz YEKKXRSDUXAKNR-HUUCEWRRSA-N 0 3 359.451 3.129 20 30 FGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000151887763 495981726 /nfs/dbraw/zinc/98/17/26/495981726.db2.gz WJUGWUNISHGORX-CVEARBPZSA-N 0 3 372.490 3.019 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414462 495987059 /nfs/dbraw/zinc/98/70/59/495987059.db2.gz QBHQDXFTDWCPEY-KXBFYZLASA-N 0 3 356.422 3.414 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000183505532 496013006 /nfs/dbraw/zinc/01/30/06/496013006.db2.gz FABKCPUHLKEOCL-CYBMUJFWSA-N 0 3 374.412 3.453 20 30 FGEDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(OCC#N)cc1 ZINC000180557284 496043629 /nfs/dbraw/zinc/04/36/29/496043629.db2.gz RMSTYVOGKUYGBH-CQSZACIVSA-N 0 3 368.393 3.004 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccccc2Cl)CC1 ZINC000155713402 496043899 /nfs/dbraw/zinc/04/38/99/496043899.db2.gz BNUTWZRBEWLIKZ-UHFFFAOYSA-N 0 3 351.878 3.059 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)CNc2cccc(C#N)c2)N2CCCC2)cc1 ZINC000155816160 496077558 /nfs/dbraw/zinc/07/75/58/496077558.db2.gz RAFNMOKGBOPBFR-NRFANRHFSA-N 0 3 362.477 3.232 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(CC#N)c1 ZINC000171942081 496101980 /nfs/dbraw/zinc/10/19/80/496101980.db2.gz IMZFWKLSMNOULN-NRFANRHFSA-N 0 3 362.477 3.274 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 ZINC000177551840 496108936 /nfs/dbraw/zinc/10/89/36/496108936.db2.gz UYBNTAOCHWMOPF-UHFFFAOYSA-N 0 3 369.387 3.044 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCc2cc(C#N)ccc2F)CN1Cc1ccccc1 ZINC000152373611 496131439 /nfs/dbraw/zinc/13/14/39/496131439.db2.gz WETLCHBLDFXTMX-BEFAXECRSA-N 0 3 366.440 3.160 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCc2cc(C#N)ccc2F)CN1Cc1ccccc1 ZINC000152373902 496131499 /nfs/dbraw/zinc/13/14/99/496131499.db2.gz WETLCHBLDFXTMX-HNAYVOBHSA-N 0 3 366.440 3.160 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000156049673 496142872 /nfs/dbraw/zinc/14/28/72/496142872.db2.gz SXIBMILJEHSCGZ-OALUTQOASA-N 0 3 350.418 3.200 20 30 FGEDHN COc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cc1OCCCC#N ZINC000172068999 496151562 /nfs/dbraw/zinc/15/15/62/496151562.db2.gz KFPHCEZEZJRSKS-NQIIRXRSSA-N 0 3 352.434 3.126 20 30 FGEDHN N#Cc1csc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000177671710 496154354 /nfs/dbraw/zinc/15/43/54/496154354.db2.gz FXNUQOPAXXBCER-UHFFFAOYSA-N 0 3 355.463 3.076 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000174912131 496161158 /nfs/dbraw/zinc/16/11/58/496161158.db2.gz DUPJGFBXJPQOBU-HXUWFJFHSA-N 0 3 366.440 3.334 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000184010109 496200136 /nfs/dbraw/zinc/20/01/36/496200136.db2.gz AHZMFMJPBTXBSE-IRXDYDNUSA-N 0 3 365.477 3.197 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000172474943 496311200 /nfs/dbraw/zinc/31/12/00/496311200.db2.gz ZLVBGUVZOMNUAX-UHFFFAOYSA-N 0 3 356.470 3.439 20 30 FGEDHN C=C(C)CN1CCC(N[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000153004423 496322518 /nfs/dbraw/zinc/32/25/18/496322518.db2.gz WJYWCIPRYRJYJX-HNNXBMFYSA-N 0 3 357.477 3.406 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000156774478 496331549 /nfs/dbraw/zinc/33/15/49/496331549.db2.gz NGMCQTZCTLCVQF-UHFFFAOYSA-N 0 3 354.450 3.252 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N(CCC#N)CCC(C)C)cc2)CC1 ZINC000172772076 496425109 /nfs/dbraw/zinc/42/51/09/496425109.db2.gz HHXIIXOHOCVATR-UHFFFAOYSA-N 0 3 356.514 3.230 20 30 FGEDHN C#CCCOc1ccc(CNCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000181559955 496446107 /nfs/dbraw/zinc/44/61/07/496446107.db2.gz RIRIFTSYIIKLQX-UHFFFAOYSA-N 0 3 350.418 3.335 20 30 FGEDHN CC[C@H](NCc1cc(C#N)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153651698 496533773 /nfs/dbraw/zinc/53/37/73/496533773.db2.gz YROPUZZZAYPLEU-PMACEKPBSA-N 0 3 355.507 3.389 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000181882628 496583989 /nfs/dbraw/zinc/58/39/89/496583989.db2.gz AWDMBUSOYKPNTL-UWJYYQICSA-N 0 3 365.477 3.249 20 30 FGEDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000173208582 496594138 /nfs/dbraw/zinc/59/41/38/496594138.db2.gz QUGLRAQKNCAFBD-IAGOWNOFSA-N 0 3 365.481 3.254 20 30 FGEDHN C[C@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000182001579 496630855 /nfs/dbraw/zinc/63/08/55/496630855.db2.gz BOXQCPXNEWYFGT-INIZCTEOSA-N 0 3 358.463 3.104 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 ZINC000173425609 496687769 /nfs/dbraw/zinc/68/77/69/496687769.db2.gz YJSCBISYIDMZPR-KRWDZBQOSA-N 0 3 372.513 3.074 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000185204693 496702529 /nfs/dbraw/zinc/70/25/29/496702529.db2.gz LHUSDOWUXPBYBD-HXUWFJFHSA-N 0 3 357.542 3.303 20 30 FGEDHN COc1cc(CNCc2ccc(OCC#N)cc2)ccc1OC(=O)C1CC1 ZINC000182199938 496705476 /nfs/dbraw/zinc/70/54/76/496705476.db2.gz IKQKCFWVPCPCNG-UHFFFAOYSA-N 0 3 366.417 3.203 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000179219071 496715504 /nfs/dbraw/zinc/71/55/04/496715504.db2.gz AVUVOSWHFMCSAU-MRXNPFEDSA-N 0 3 363.889 3.153 20 30 FGEDHN CC[C@@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246957086 496734821 /nfs/dbraw/zinc/73/48/21/496734821.db2.gz IKBVVZGRAIDXRA-HZPDHXFCSA-N 0 3 372.513 3.086 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cnn(C)c1 ZINC000273243897 496751646 /nfs/dbraw/zinc/75/16/46/496751646.db2.gz AQMYEECWQLRPTD-ZDUSSCGKSA-N 0 3 371.510 3.302 20 30 FGEDHN Cn1cnc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000191476727 496776169 /nfs/dbraw/zinc/77/61/69/496776169.db2.gz ZUZVCDYLSCGBIK-NSHDSACASA-N 0 3 366.331 3.203 20 30 FGEDHN Cn1cnc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000191476727 496776174 /nfs/dbraw/zinc/77/61/74/496776174.db2.gz ZUZVCDYLSCGBIK-NSHDSACASA-N 0 3 366.331 3.203 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC000188472190 496801380 /nfs/dbraw/zinc/80/13/80/496801380.db2.gz XHFMALUVOJSNFZ-NVXWUHKLSA-N 0 3 351.425 3.480 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2ccccc2OCC#N)[C@H]1c1cccs1 ZINC000247477474 496867410 /nfs/dbraw/zinc/86/74/10/496867410.db2.gz SNBZPEWVDQWUSW-KXBFYZLASA-N 0 3 369.490 3.463 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2OCCOC)CC1 ZINC000264403465 496892962 /nfs/dbraw/zinc/89/29/62/496892962.db2.gz PLTMEPDIIRGDPS-UHFFFAOYSA-N 0 3 361.486 3.182 20 30 FGEDHN CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000248109244 496955452 /nfs/dbraw/zinc/95/54/52/496955452.db2.gz BRGBWVVUPZQJFN-CRAIPNDOSA-N 0 3 371.506 3.326 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000195650742 496957961 /nfs/dbraw/zinc/95/79/61/496957961.db2.gz RISXNZFTUIABNE-OAHLLOKOSA-N 0 3 361.461 3.018 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](N3CCCCC3)C2)cc1C ZINC000264667312 496958279 /nfs/dbraw/zinc/95/82/79/496958279.db2.gz ZTCCBGLMXBEULS-OAQYLSRUSA-N 0 3 368.525 3.110 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000248440093 497012939 /nfs/dbraw/zinc/01/29/39/497012939.db2.gz JGGRGIJSOGJPCP-PXNSSMCTSA-N 0 3 359.514 3.187 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000270012683 497040978 /nfs/dbraw/zinc/04/09/78/497040978.db2.gz MLBTYDZSCIFLEV-FZDIXFNVSA-N 0 3 371.456 3.008 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000270012684 497041004 /nfs/dbraw/zinc/04/10/04/497041004.db2.gz MLBTYDZSCIFLEV-JEDBISTDSA-N 0 3 371.456 3.008 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000274215718 497042482 /nfs/dbraw/zinc/04/24/82/497042482.db2.gz AIOBQBNUJLADEY-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN N#CC1(c2nc(-c3ccccc3CN3CCCCC3)no2)CCOCC1 ZINC000572071820 505881642 /nfs/dbraw/zinc/88/16/42/505881642.db2.gz RKDNLQSPZDEJOZ-UHFFFAOYSA-N 0 3 352.438 3.294 20 30 FGEDHN C=CCC[C@@H](O)CN1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192342925 497080222 /nfs/dbraw/zinc/08/02/22/497080222.db2.gz CUVFQVHQUHBXHD-MRXNPFEDSA-N 0 3 357.454 3.252 20 30 FGEDHN Cc1cnccc1OC1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000278669172 497184292 /nfs/dbraw/zinc/18/42/92/497184292.db2.gz QVQPSCUFXNIJDW-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCc2ccccc2)cc1 ZINC000278683455 497188338 /nfs/dbraw/zinc/18/83/38/497188338.db2.gz RVDUMRJNACVMJU-OAHLLOKOSA-N 0 3 371.462 3.127 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000278772259 497215929 /nfs/dbraw/zinc/21/59/29/497215929.db2.gz GUQHTANKKWYILJ-HZPDHXFCSA-N 0 3 373.472 3.049 20 30 FGEDHN C=CCC[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccco1 ZINC000278836956 497237768 /nfs/dbraw/zinc/23/77/68/497237768.db2.gz CXWFHLLJNNWHSZ-LJQANCHMSA-N 0 3 355.482 3.368 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2cccn2C)c(OC)c1 ZINC000249771100 497246412 /nfs/dbraw/zinc/24/64/12/497246412.db2.gz SRXRUVVZWLYICW-QUCCMNQESA-N 0 3 370.493 3.339 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000249828594 497251215 /nfs/dbraw/zinc/25/12/15/497251215.db2.gz MEZGUPPDVCUZOZ-IRXDYDNUSA-N 0 3 374.485 3.413 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N1CCCN(CC)CC1 ZINC000581039355 505895871 /nfs/dbraw/zinc/89/58/71/505895871.db2.gz CDRSYXABTRPFBZ-UHFFFAOYSA-N 0 3 359.905 3.240 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(F)cc(F)c1 ZINC000193186637 497319562 /nfs/dbraw/zinc/31/95/62/497319562.db2.gz WTMDEZBEYYKMJI-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000193265912 497337258 /nfs/dbraw/zinc/33/72/58/497337258.db2.gz MWVAWVGIWRLWPZ-HNNXBMFYSA-N 0 3 359.364 3.388 20 30 FGEDHN COc1ccc([C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C2CC2)cc1 ZINC000193349851 497357066 /nfs/dbraw/zinc/35/70/66/497357066.db2.gz PYBGMJUUKRGYJH-HXUWFJFHSA-N 0 3 355.482 3.421 20 30 FGEDHN C[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N1[C@H](C)CC[C@@H]1C ZINC000245203774 497376819 /nfs/dbraw/zinc/37/68/19/497376819.db2.gz WBSVSCDVZGHRMO-QLFBSQMISA-N 0 3 352.400 3.434 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(C#N)c1C ZINC000279248377 497381748 /nfs/dbraw/zinc/38/17/48/497381748.db2.gz KXKNUEACBNHUAR-XYPHTWIQSA-N 0 3 359.495 3.112 20 30 FGEDHN CCc1cccc2c1OCC[C@H]2NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279261024 497385634 /nfs/dbraw/zinc/38/56/34/497385634.db2.gz IDHBXAWCZCSMBZ-AZUAARDMSA-N 0 3 359.429 3.443 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000279370202 497419504 /nfs/dbraw/zinc/41/95/04/497419504.db2.gz RRRYYOCYRXQNJO-IFXJQAMLSA-N 0 3 372.428 3.003 20 30 FGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000279377349 497422196 /nfs/dbraw/zinc/42/21/96/497422196.db2.gz JSBCWUHJMGKTCJ-RBUKOAKNSA-N 0 3 367.497 3.494 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261634119 497423361 /nfs/dbraw/zinc/42/33/61/497423361.db2.gz FDWZBHLJFYWPKY-FFZOFVMBSA-N 0 3 369.534 3.078 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1c(C)n[nH]c1C ZINC000245587687 497466357 /nfs/dbraw/zinc/46/63/57/497466357.db2.gz JUYCWQZPENZYNX-MOPGFXCFSA-N 0 3 355.482 3.332 20 30 FGEDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(C#N)cc1 ZINC000245827785 497544735 /nfs/dbraw/zinc/54/47/35/497544735.db2.gz BDUBASFCFCJONR-IXDOHACOSA-N 0 3 350.466 3.418 20 30 FGEDHN C[C@H](CCC#N)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000276326355 497544823 /nfs/dbraw/zinc/54/48/23/497544823.db2.gz PZZSJXGIZNRMOR-GFCCVEGCSA-N 0 3 365.275 3.187 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC2 ZINC000190613939 497546786 /nfs/dbraw/zinc/54/67/86/497546786.db2.gz DHDDBIIKQZVMPA-OPAMFIHVSA-N 0 3 359.473 3.499 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)CC1 ZINC000194046066 497556853 /nfs/dbraw/zinc/55/68/53/497556853.db2.gz OCVDNEPATILPIQ-QFIPXVFZSA-N 0 3 372.472 3.114 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)CC1 ZINC000194046066 497556858 /nfs/dbraw/zinc/55/68/58/497556858.db2.gz OCVDNEPATILPIQ-QFIPXVFZSA-N 0 3 372.472 3.114 20 30 FGEDHN COCC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000280068072 497638844 /nfs/dbraw/zinc/63/88/44/497638844.db2.gz NBHPYDGYFPIJAA-QZTJIDSGSA-N 0 3 351.406 3.036 20 30 FGEDHN Cc1cnccc1OC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280089719 497644576 /nfs/dbraw/zinc/64/45/76/497644576.db2.gz RUGCUBKWFJIBOT-IBGZPJMESA-N 0 3 374.444 3.014 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(C#N)n(C)c2)CC1 ZINC000190959133 497661074 /nfs/dbraw/zinc/66/10/74/497661074.db2.gz JCSZYKDBYKBPMN-INIZCTEOSA-N 0 3 369.488 3.029 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194425242 497662904 /nfs/dbraw/zinc/66/29/04/497662904.db2.gz ZWBRSWKNIYLUBF-GOSISDBHSA-N 0 3 365.905 3.367 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194426547 497663187 /nfs/dbraw/zinc/66/31/87/497663187.db2.gz CGGRVYBZUKGSCR-NRFANRHFSA-N 0 3 362.477 3.222 20 30 FGEDHN C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000272708874 497708475 /nfs/dbraw/zinc/70/84/75/497708475.db2.gz KCWVTIBTKOXZFD-LLVKDONJSA-N 0 3 352.360 3.349 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000280417205 497747362 /nfs/dbraw/zinc/74/73/62/497747362.db2.gz LTOPYEQORARNPH-YADHBBJMSA-N 0 3 373.456 3.306 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)o2)cc1 ZINC000246549339 497771686 /nfs/dbraw/zinc/77/16/86/497771686.db2.gz KHKNITCNWFXFPY-PKOBYXMFSA-N 0 3 363.465 3.057 20 30 FGEDHN Cc1nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000246638843 497792639 /nfs/dbraw/zinc/79/26/39/497792639.db2.gz GPWNFXLMFQZMAZ-OXJNMPFZSA-N 0 3 362.477 3.387 20 30 FGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000280618111 497827874 /nfs/dbraw/zinc/82/78/74/497827874.db2.gz YCGLBKUCCHXKPS-IFMALSPDSA-N 0 3 372.472 3.368 20 30 FGEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccncc1 ZINC000299539768 497840394 /nfs/dbraw/zinc/84/03/94/497840394.db2.gz FHVFONROALUBFL-UHFFFAOYSA-N 0 3 354.479 3.354 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)[N-]C2(C)CC2)c1 ZINC000284605974 497841927 /nfs/dbraw/zinc/84/19/27/497841927.db2.gz YSEINBJMEOJYPE-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000296011514 497889978 /nfs/dbraw/zinc/88/99/78/497889978.db2.gz RBTAQMUJNJDDMF-IBGZPJMESA-N 0 3 367.497 3.028 20 30 FGEDHN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC1CCN(C)CC1 ZINC000329758067 497891495 /nfs/dbraw/zinc/89/14/95/497891495.db2.gz NJOMMNNWBLIHLZ-UHFFFAOYSA-N 0 3 355.442 3.343 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)CC3(C)C)sc2C1 ZINC000299708121 497902024 /nfs/dbraw/zinc/90/20/24/497902024.db2.gz PUZDICZPNMMZPN-AWEZNQCLSA-N 0 3 374.554 3.099 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284798739 497904140 /nfs/dbraw/zinc/90/41/40/497904140.db2.gz VXWUQBZUAURADI-OAQYLSRUSA-N 0 3 360.498 3.005 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000329795674 497904267 /nfs/dbraw/zinc/90/42/67/497904267.db2.gz WNSWFOYDXVHXMH-POZUXBRTSA-N 0 3 355.486 3.048 20 30 FGEDHN CO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1(C)C ZINC000296198278 497952853 /nfs/dbraw/zinc/95/28/53/497952853.db2.gz VXTVWWCVAAJONP-MRXNPFEDSA-N 0 3 361.511 3.184 20 30 FGEDHN C[C@]1(O)CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000329930920 497956337 /nfs/dbraw/zinc/95/63/37/497956337.db2.gz ZYZFMQWHMVUBRX-QAPCUYQASA-N 0 3 351.516 3.036 20 30 FGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000364465679 497971980 /nfs/dbraw/zinc/97/19/80/497971980.db2.gz PMQPGLNQAKCLOP-AUUYWEPGSA-N 0 3 370.522 3.332 20 30 FGEDHN CN(C)c1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)[N-]C2CCC2)cc1 ZINC000292364364 497988341 /nfs/dbraw/zinc/98/83/41/497988341.db2.gz RKXQUJYAMKMBQL-UHFFFAOYSA-O 0 3 372.489 3.260 20 30 FGEDHN CC[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCO1 ZINC000569550779 505962199 /nfs/dbraw/zinc/96/21/99/505962199.db2.gz VMLNRZYQJDJPEZ-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000292413964 498006645 /nfs/dbraw/zinc/00/66/45/498006645.db2.gz ZJJRLDRKWKYQBK-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN C=CCN(C(=O)CCCCC(=O)OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364541996 498013555 /nfs/dbraw/zinc/01/35/55/498013555.db2.gz YZAANYGSUPORON-IBGZPJMESA-N 0 3 358.482 3.009 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330090168 498017989 /nfs/dbraw/zinc/01/79/89/498017989.db2.gz WOTAFMCALFFGCJ-MJKGWSOKSA-N 0 3 368.481 3.290 20 30 FGEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000285205974 498021311 /nfs/dbraw/zinc/02/13/11/498021311.db2.gz TVFAVGCVHMLWJX-QFBILLFUSA-N 0 3 363.461 3.196 20 30 FGEDHN CN(C)CCNC(=O)c1cccc(CNc2cc(Cl)ccc2C#N)c1 ZINC000301287203 498039750 /nfs/dbraw/zinc/03/97/50/498039750.db2.gz REWVFTYWVHEGEJ-UHFFFAOYSA-N 0 3 356.857 3.115 20 30 FGEDHN Cc1ccc2ncc(C#N)c(N3CC[C@H](OCCN4CCCCC4)C3)c2c1 ZINC000330171271 498047831 /nfs/dbraw/zinc/04/78/31/498047831.db2.gz FGFQFDIHRYGOOK-IBGZPJMESA-N 0 3 364.493 3.496 20 30 FGEDHN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCN1C1CC1 ZINC000330206775 498062665 /nfs/dbraw/zinc/06/26/65/498062665.db2.gz FLSNMCWMDUQYPX-OAHLLOKOSA-N 0 3 350.846 3.237 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CN1Cc1ccccc1 ZINC000330220894 498067768 /nfs/dbraw/zinc/06/77/68/498067768.db2.gz QQCPQHZTOCOGNO-DLVXIWMQSA-N 0 3 368.481 3.117 20 30 FGEDHN CN1CCC(n2ccc(NC(=O)N[C@H]3CCc4c3cccc4Cl)n2)CC1 ZINC000330231837 498071841 /nfs/dbraw/zinc/07/18/41/498071841.db2.gz XCAHCPAYKYBOEZ-KRWDZBQOSA-N 0 3 373.888 3.239 20 30 FGEDHN CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC(=O)N1 ZINC000330244748 498076176 /nfs/dbraw/zinc/07/61/76/498076176.db2.gz KLCQTJMATHYTOV-IPMKNSEASA-N 0 3 373.497 3.379 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000330256144 498082351 /nfs/dbraw/zinc/08/23/51/498082351.db2.gz KKBXMGYIYDYRKQ-VHSXEESVSA-N 0 3 350.410 3.211 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000364738192 498121345 /nfs/dbraw/zinc/12/13/45/498121345.db2.gz UCNCWPZAHMCVMA-UHFFFAOYSA-N 0 3 357.429 3.180 20 30 FGEDHN N#Cc1nc(NCc2ccccc2CN2CCC(O)CC2)ccc1Cl ZINC000301499751 498137849 /nfs/dbraw/zinc/13/78/49/498137849.db2.gz AFABDQQWZKBUIT-UHFFFAOYSA-N 0 3 356.857 3.175 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000330493716 498141523 /nfs/dbraw/zinc/14/15/23/498141523.db2.gz RMHYBFNKTQGXPX-HZPDHXFCSA-N 0 3 367.534 3.075 20 30 FGEDHN COc1ccc2c(c1)C1(CC1)CN(CCC(=O)Nc1ccccc1C#N)C2 ZINC000289450534 498151009 /nfs/dbraw/zinc/15/10/09/498151009.db2.gz FNMKSPFVXMVMGD-UHFFFAOYSA-N 0 3 361.445 3.443 20 30 FGEDHN Cc1cccc(C)c1NC(=O)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000285665962 498165245 /nfs/dbraw/zinc/16/52/45/498165245.db2.gz NCXHBRBUAMKMGJ-UHFFFAOYSA-N 0 3 362.477 3.372 20 30 FGEDHN N#Cc1ccc(N2CCC(CN3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000301569343 498168675 /nfs/dbraw/zinc/16/86/75/498168675.db2.gz ZVGPSWDYSXWTLA-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN COc1ccc(C[C@](C)(O)CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000289574189 498199713 /nfs/dbraw/zinc/19/97/13/498199713.db2.gz AAOAKTZWRLRJBC-QKKBWIMNSA-N 0 3 372.440 3.359 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000296806090 498204553 /nfs/dbraw/zinc/20/45/53/498204553.db2.gz HTVNSAVRJHYKHH-GFCCVEGCSA-N 0 3 362.421 3.086 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ccc(Cl)c(C#N)n1 ZINC000301657141 498208348 /nfs/dbraw/zinc/20/83/48/498208348.db2.gz SGLUUDBNZVQWRS-UHFFFAOYSA-N 0 3 350.800 3.453 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000578691976 505998394 /nfs/dbraw/zinc/99/83/94/505998394.db2.gz ULWYFRPLKLYMEH-XLNTUCKNSA-N 0 3 355.482 3.148 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2c2nccn2CC)CC1 ZINC000281716816 498246151 /nfs/dbraw/zinc/24/61/51/498246151.db2.gz QJZDZLUJZSQDIM-GOSISDBHSA-N 0 3 359.518 3.180 20 30 FGEDHN N#CC1(CCCN2CCCN(C(=O)Oc3ccccc3)CC2)CCOCC1 ZINC000281916867 498317367 /nfs/dbraw/zinc/31/73/67/498317367.db2.gz GXLBFQQHYZEFQQ-UHFFFAOYSA-N 0 3 371.481 3.294 20 30 FGEDHN C=CCNC(=O)c1ccc(N2CCCN(Cc3ccccc3)C[C@H]2C)nc1 ZINC000301918106 498327558 /nfs/dbraw/zinc/32/75/58/498327558.db2.gz WHOGJYPQTOPGAH-GOSISDBHSA-N 0 3 364.493 3.098 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(Br)cc2F)CC1 ZINC000286473464 498409484 /nfs/dbraw/zinc/40/94/84/498409484.db2.gz IUURJMSYBJCHTL-GFCCVEGCSA-N 0 3 367.262 3.111 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C)C2(CCCCC2)C1 ZINC000572732628 506039440 /nfs/dbraw/zinc/03/94/40/506039440.db2.gz KJELNZIJRXIWFA-FQEVSTJZSA-N 0 3 358.526 3.105 20 30 FGEDHN C[C@H](CCC#N)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000297690531 498536732 /nfs/dbraw/zinc/53/67/32/498536732.db2.gz AGFVNXNBIHHIEW-OAHLLOKOSA-N 0 3 359.499 3.041 20 30 FGEDHN CC(C)[C@@]1(CO)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000365613707 498559190 /nfs/dbraw/zinc/55/91/90/498559190.db2.gz CBYJCHMIKXTBNE-NRFANRHFSA-N 0 3 352.482 3.304 20 30 FGEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000576008367 506054533 /nfs/dbraw/zinc/05/45/33/506054533.db2.gz RQRVAHCANPWGFT-GFCCVEGCSA-N 0 3 359.355 3.341 20 30 FGEDHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000286964521 498570545 /nfs/dbraw/zinc/57/05/45/498570545.db2.gz JJQVWKNUSSUNAA-IFXJQAMLSA-N 0 3 354.429 3.360 20 30 FGEDHN N#CCc1cccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000365756476 498627665 /nfs/dbraw/zinc/62/76/65/498627665.db2.gz DHSCKLGXCHUAOU-YADHBBJMSA-N 0 3 359.473 3.347 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298007785 498635495 /nfs/dbraw/zinc/63/54/95/498635495.db2.gz DPTUXKIMEQKKFP-IHPCNDPISA-N 0 3 369.513 3.160 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C ZINC000287174533 498660137 /nfs/dbraw/zinc/66/01/37/498660137.db2.gz JTJPTHDWFDJXJX-BXUZGUMPSA-N 0 3 365.275 3.267 20 30 FGEDHN Cc1sc(NC(=O)CN2CCC[C@@H](N3CCCCC3)C2)c(C#N)c1C ZINC000365904054 498692314 /nfs/dbraw/zinc/69/23/14/498692314.db2.gz TVROADIPKWHUJZ-MRXNPFEDSA-N 0 3 360.527 3.125 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]3CCCCN3C[C@H]2C)c1C ZINC000332517546 498709467 /nfs/dbraw/zinc/70/94/67/498709467.db2.gz XSODXAXYTLUDQV-QUCCMNQESA-N 0 3 368.525 3.109 20 30 FGEDHN C=CCOCCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000363279358 498742769 /nfs/dbraw/zinc/74/27/69/498742769.db2.gz YYYZACMEQMJJOA-LPHOPBHVSA-N 0 3 350.890 3.432 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000298413876 498763099 /nfs/dbraw/zinc/76/30/99/498763099.db2.gz FQXNXJRSCKEURT-QUCCMNQESA-N 0 3 371.387 3.285 20 30 FGEDHN Cc1cccnc1OC1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000298431915 498769446 /nfs/dbraw/zinc/76/94/46/498769446.db2.gz GMZFDSGVRDGDSZ-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3cc(F)cnc3Cl)CC2)cc1 ZINC000294684064 498772539 /nfs/dbraw/zinc/77/25/39/498772539.db2.gz BJMOVLNJROSZQU-UHFFFAOYSA-N 0 3 358.848 3.500 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCC3(CC3)CC2)cc1 ZINC000287609211 498812689 /nfs/dbraw/zinc/81/26/89/498812689.db2.gz MXGDLDWTLJWFDD-ZDUSSCGKSA-N 0 3 361.467 3.217 20 30 FGEDHN COc1ncc(CNC2CCN(c3ccc(C#N)cc3)CC2)cc1Cl ZINC000295136504 498922805 /nfs/dbraw/zinc/92/28/05/498922805.db2.gz ZDTIAGDQZNQNTH-UHFFFAOYSA-N 0 3 356.857 3.374 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291415740 498932304 /nfs/dbraw/zinc/93/23/04/498932304.db2.gz CRZXWGYYTZXOHA-WBVHZDCISA-N 0 3 365.389 3.007 20 30 FGEDHN N#Cc1cc(NCCCOC2CCN(Cc3ccccc3)CC2)ccn1 ZINC000576259334 506115646 /nfs/dbraw/zinc/11/56/46/506115646.db2.gz GCLJRHSRWIULDX-UHFFFAOYSA-N 0 3 350.466 3.436 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@@H]1c1cccs1 ZINC000328830905 498954343 /nfs/dbraw/zinc/95/43/43/498954343.db2.gz KCDQVNPWOPACJE-JOCBIADPSA-N 0 3 363.527 3.202 20 30 FGEDHN Cc1cc(C#N)nc(NCCCOC2CCN(Cc3ccccc3)CC2)n1 ZINC000288177591 498961689 /nfs/dbraw/zinc/96/16/89/498961689.db2.gz BGTJLNDOXDGNNG-UHFFFAOYSA-N 0 3 365.481 3.140 20 30 FGEDHN C[C@H](CCOCc1ccccc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000288203625 498966898 /nfs/dbraw/zinc/96/68/98/498966898.db2.gz CSWFAPCFWGFLBC-UTKZUKDTSA-N 0 3 361.445 3.352 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCC1=O ZINC000328893196 498976920 /nfs/dbraw/zinc/97/69/20/498976920.db2.gz ABZBKKOHVHWPOL-QAPCUYQASA-N 0 3 358.482 3.105 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)Nc2cccc(OCC#N)c2)CCN1Cc1ccccc1 ZINC000288336144 498997985 /nfs/dbraw/zinc/99/79/85/498997985.db2.gz ZWVABXOBGKWFLM-UZLBHIALSA-N 0 3 364.449 3.373 20 30 FGEDHN CN1C[C@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@H](c2ccccc2)C1 ZINC000329013006 499014507 /nfs/dbraw/zinc/01/45/07/499014507.db2.gz IXPCIWPAYHKJJM-ROUUACIJSA-N 0 3 352.434 3.250 20 30 FGEDHN CN1CCC2(CCCN2C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 ZINC000329037440 499022357 /nfs/dbraw/zinc/02/23/57/499022357.db2.gz ZGVTWGQLZYAWLK-UHFFFAOYSA-N 0 3 357.433 3.117 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000295467359 499026858 /nfs/dbraw/zinc/02/68/58/499026858.db2.gz OTLYHMASGMRMEH-IERDGZPVSA-N 0 3 352.482 3.197 20 30 FGEDHN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)CCCN1C ZINC000329154305 499057144 /nfs/dbraw/zinc/05/71/44/499057144.db2.gz BHXSBSCAHGRZSO-PWIZWCRZSA-N 0 3 373.545 3.167 20 30 FGEDHN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000329155746 499058344 /nfs/dbraw/zinc/05/83/44/499058344.db2.gz AWBZXSPCPDIIMJ-RRCSTGOVSA-N 0 3 359.445 3.378 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(C)C[C@@H]1C ZINC000329213185 499073935 /nfs/dbraw/zinc/07/39/35/499073935.db2.gz JAGXDZCACLSSMH-HNNXBMFYSA-N 0 3 355.486 3.103 20 30 FGEDHN Cc1cnn(CC(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000329267499 499087160 /nfs/dbraw/zinc/08/71/60/499087160.db2.gz GKPPRAGSEOLJAN-KRWDZBQOSA-N 0 3 354.454 3.136 20 30 FGEDHN O=C(Nc1cccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1)[C@@H]1CCCO1 ZINC000329279637 499090669 /nfs/dbraw/zinc/09/06/69/499090669.db2.gz JYZSBTMUYCVDLF-OALUTQOASA-N 0 3 371.481 3.154 20 30 FGEDHN C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C1=CCN(C)CC1 ZINC000329312487 499097136 /nfs/dbraw/zinc/09/71/36/499097136.db2.gz GNIOMBMCQCNCRT-KSSFIOAISA-N 0 3 357.454 3.409 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)[C@H]2C1 ZINC000329461714 499124594 /nfs/dbraw/zinc/12/45/94/499124594.db2.gz SUUNQMUKQXNPOZ-KDOFPFPSSA-N 0 3 372.494 3.294 20 30 FGEDHN COc1cc([C@H]2CCCN2CCCSCC#N)cc(OC)c1OC ZINC000369838655 499136186 /nfs/dbraw/zinc/13/61/86/499136186.db2.gz YKGRJYRSZXLMRC-OAHLLOKOSA-N 0 3 350.484 3.496 20 30 FGEDHN Cc1cccc(NC[C@H]2CCCN2CCC(=O)Nc2sccc2C#N)n1 ZINC000369901872 499148367 /nfs/dbraw/zinc/14/83/67/499148367.db2.gz ZRWWPNVAOKJXHQ-MRXNPFEDSA-N 0 3 369.494 3.228 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226950 499164563 /nfs/dbraw/zinc/16/45/63/499164563.db2.gz RUZYPTKBAAJYJN-WMZOPIPTSA-N 0 3 364.449 3.223 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000367391684 499193347 /nfs/dbraw/zinc/19/33/47/499193347.db2.gz GLMKVQUAPKMNID-PWRODBHTSA-N 0 3 359.429 3.277 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3sccc3C#N)cc2)CC1 ZINC000367457676 499201111 /nfs/dbraw/zinc/20/11/11/499201111.db2.gz HIVOHXNVGZNEBB-UHFFFAOYSA-N 0 3 355.463 3.023 20 30 FGEDHN N#CCCCOc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000367775971 499232694 /nfs/dbraw/zinc/23/26/94/499232694.db2.gz CZXZHYDTCCQCFH-FQEVSTJZSA-N 0 3 362.433 3.289 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000367889550 499242161 /nfs/dbraw/zinc/24/21/61/499242161.db2.gz BRZQZNPQQJBDFK-IPELMVKDSA-N 0 3 363.889 3.062 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000367956284 499249333 /nfs/dbraw/zinc/24/93/33/499249333.db2.gz MITZLSPRZAVGLW-PMACEKPBSA-N 0 3 358.482 3.169 20 30 FGEDHN CC#CCCN1CCC(c2noc([C@@H](OC(C)=O)c3ccccc3)n2)CC1 ZINC000368138213 499268094 /nfs/dbraw/zinc/26/80/94/499268094.db2.gz DYKYJUCYQZNAAW-IBGZPJMESA-N 0 3 367.449 3.315 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000368406783 499292916 /nfs/dbraw/zinc/29/29/16/499292916.db2.gz HKBRQKMTAOKFAE-QFIPXVFZSA-N 0 3 361.445 3.408 20 30 FGEDHN CCCCCCCCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371228792 499300072 /nfs/dbraw/zinc/30/00/72/499300072.db2.gz YLGYGMSOGQTRSK-VQTJNVASSA-N 0 3 366.594 3.404 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000368613949 499313994 /nfs/dbraw/zinc/31/39/94/499313994.db2.gz OJXMOISDOBYRAP-QUCCMNQESA-N 0 3 362.477 3.281 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)[C@@H]1OCCc2sccc21 ZINC000368629668 499315476 /nfs/dbraw/zinc/31/54/76/499315476.db2.gz AYNRFGPCGKYRJH-ZBEGNZNMSA-N 0 3 361.492 3.302 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](C(=O)Nc3nccs3)C2)cc1 ZINC000371396618 499320517 /nfs/dbraw/zinc/32/05/17/499320517.db2.gz RSYJKXAWEXTCJM-ZBFHGGJFSA-N 0 3 370.478 3.285 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@]3(C2)c2ccccc2NC3=O)cc1OC ZINC000368786551 499332801 /nfs/dbraw/zinc/33/28/01/499332801.db2.gz MHVBWHQMXMUOBM-QFIPXVFZSA-N 0 3 364.445 3.356 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371656445 499351406 /nfs/dbraw/zinc/35/14/06/499351406.db2.gz SPAHTRNBEPNCNJ-MRXNPFEDSA-N 0 3 365.462 3.245 20 30 FGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000371870896 499373755 /nfs/dbraw/zinc/37/37/55/499373755.db2.gz VAPYXBIFMGLSRF-VQTJNVASSA-N 0 3 374.529 3.381 20 30 FGEDHN C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371999487 499388448 /nfs/dbraw/zinc/38/84/48/499388448.db2.gz SWOFCDWXMDZDIF-CJNGLKHVSA-N 0 3 369.494 3.088 20 30 FGEDHN Cn1cccc1C(=O)NC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000372021099 499390647 /nfs/dbraw/zinc/39/06/47/499390647.db2.gz FKOVKJOENIOVJS-UHFFFAOYSA-N 0 3 364.493 3.221 20 30 FGEDHN C=CC1CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000369316111 499390681 /nfs/dbraw/zinc/39/06/81/499390681.db2.gz YKGSQGHYXMEOIB-UHFFFAOYSA-N 0 3 359.436 3.399 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCN(c3ccccc3)CC2)cc1 ZINC000369630400 499428737 /nfs/dbraw/zinc/42/87/37/499428737.db2.gz PICUFSVKZJGCJR-NRFANRHFSA-N 0 3 372.472 3.273 20 30 FGEDHN Cn1cc(CN[C@H]2CN(C)Cc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000373197032 499456697 /nfs/dbraw/zinc/45/66/97/499456697.db2.gz CNJCEMFDZNMPLA-NRFANRHFSA-N 0 3 357.461 3.235 20 30 FGEDHN COc1ccc([C@@H]2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000373407737 499467974 /nfs/dbraw/zinc/46/79/74/499467974.db2.gz ZTOJOMCKNNVQSQ-WOJBJXKFSA-N 0 3 359.429 3.265 20 30 FGEDHN CN1c2ccc(CN3CCCN(c4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000373582566 499478098 /nfs/dbraw/zinc/47/80/98/499478098.db2.gz NNVKILIOJVWXPW-UHFFFAOYSA-N 0 3 374.488 3.180 20 30 FGEDHN Cc1nc(CO[C@@H]2CCN(CCCOc3ccc(C#N)cc3)C2)cs1 ZINC000375396232 499513790 /nfs/dbraw/zinc/51/37/90/499513790.db2.gz UOZPJDTWCZYMLM-LJQANCHMSA-N 0 3 357.479 3.383 20 30 FGEDHN Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C2CCOCC2)c(C#N)c1C ZINC000378465698 499520120 /nfs/dbraw/zinc/52/01/20/499520120.db2.gz HJSMZVJHGPBVIN-FQEVSTJZSA-N 0 3 367.449 3.464 20 30 FGEDHN CN(C(=O)CN[C@H](c1ccccc1)C1CCOCC1)C1(C#N)CCCCC1 ZINC000378466346 499520744 /nfs/dbraw/zinc/52/07/44/499520744.db2.gz IYPPAKQMZWKXME-OAQYLSRUSA-N 0 3 369.509 3.429 20 30 FGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000375452082 499520891 /nfs/dbraw/zinc/52/08/91/499520891.db2.gz DBURWMVIPVPMAS-SOAMZJECSA-N 0 3 361.530 3.123 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](n3cc4ccccc4n3)C2)cc1 ZINC000375682840 499544942 /nfs/dbraw/zinc/54/49/42/499544942.db2.gz LHEFPJIADJFUQQ-WOJBJXKFSA-N 0 3 369.428 3.064 20 30 FGEDHN CC(C)(C#N)CCCCN1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375783247 499555309 /nfs/dbraw/zinc/55/53/09/499555309.db2.gz QUVCOFXKSBELRR-SJORKVTESA-N 0 3 351.491 3.076 20 30 FGEDHN C[C@]1(CNc2ncc(C#N)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000397894502 499565030 /nfs/dbraw/zinc/56/50/30/499565030.db2.gz UBANHJUUCHMTAK-LJQANCHMSA-N 0 3 351.410 3.328 20 30 FGEDHN C=CCC[C@@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccccc1 ZINC000376036648 499577999 /nfs/dbraw/zinc/57/79/99/499577999.db2.gz YURBNPMWBWXLDC-LJQANCHMSA-N 0 3 367.497 3.401 20 30 FGEDHN Cc1nc(CN2CCC[C@H](N[C@H](C)c3ccc(C#N)cc3Cl)C2)no1 ZINC000376045134 499578501 /nfs/dbraw/zinc/57/85/01/499578501.db2.gz DKWLTKCZISJGAE-DOMZBBRYSA-N 0 3 359.861 3.218 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(Cc3ccc(F)cc3F)C2)cc1 ZINC000376714568 499631206 /nfs/dbraw/zinc/63/12/06/499631206.db2.gz DABIIZWOFQRYLL-GOSISDBHSA-N 0 3 365.383 3.220 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000377044581 499656516 /nfs/dbraw/zinc/65/65/16/499656516.db2.gz HJZZKPLTKAQFMP-VMBOVVBDSA-N 0 3 362.436 3.137 20 30 FGEDHN C=C(CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000377055563 499657778 /nfs/dbraw/zinc/65/77/78/499657778.db2.gz HRGNNITVVXUWFK-SFTDATJTSA-N 0 3 364.493 3.429 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000377350610 499682142 /nfs/dbraw/zinc/68/21/42/499682142.db2.gz OFGOAZFNTSZUKF-WOJBJXKFSA-N 0 3 368.525 3.480 20 30 FGEDHN COC(=O)[C@H](C)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411389935 499733338 /nfs/dbraw/zinc/73/33/38/499733338.db2.gz MXJJHLLKYIGGIF-FOIQADDNSA-N 0 3 365.433 3.027 20 30 FGEDHN COC[C@](C)(CC(=O)OC)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000411392037 499733557 /nfs/dbraw/zinc/73/35/57/499733557.db2.gz POAIDXWYFPOCHS-NRFANRHFSA-N 0 3 352.434 3.283 20 30 FGEDHN CCOC(=O)c1ccn(-c2cccc(CNCc3ccc(C#N)s3)c2)n1 ZINC000377910663 499747637 /nfs/dbraw/zinc/74/76/37/499747637.db2.gz XJBGWIMHCHJLLO-UHFFFAOYSA-N 0 3 366.446 3.272 20 30 FGEDHN C=CCN(C(=O)Nc1cc(C)nn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378056932 499756583 /nfs/dbraw/zinc/75/65/83/499756583.db2.gz VAQUQSLFEBUEPV-SFHVURJKSA-N 0 3 353.470 3.023 20 30 FGEDHN CCCN(CCN1CCCC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000411720857 499782877 /nfs/dbraw/zinc/78/28/77/499782877.db2.gz QWNAHVFXBXRBAT-IBGZPJMESA-N 0 3 356.514 3.130 20 30 FGEDHN CO[C@@](C)([C@H](C)NCC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000411945785 499805585 /nfs/dbraw/zinc/80/55/85/499805585.db2.gz KUGPEGDIHLRODS-UWJYYQICSA-N 0 3 357.498 3.343 20 30 FGEDHN COC1([C@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)CCC1 ZINC000412021408 499813551 /nfs/dbraw/zinc/81/35/51/499813551.db2.gz MNTOIIUWHMOKLU-CABCVRRESA-N 0 3 361.511 3.424 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000413261588 499933973 /nfs/dbraw/zinc/93/39/73/499933973.db2.gz IULUEJDNKYTAPN-IFMALSPDSA-N 0 3 365.452 3.333 20 30 FGEDHN CN(C)CCOc1ccccc1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416109520 499949351 /nfs/dbraw/zinc/94/93/51/499949351.db2.gz RBQZSKCSBBRGKA-HXUWFJFHSA-N 0 3 363.461 3.306 20 30 FGEDHN COc1ccc(CN2CCC(CNc3cc(C)ncc3C#N)CC2)cc1 ZINC000425218375 500047024 /nfs/dbraw/zinc/04/70/24/500047024.db2.gz YAFPQBVMPPDYHU-UHFFFAOYSA-N 0 3 350.466 3.016 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000421437798 500047923 /nfs/dbraw/zinc/04/79/23/500047923.db2.gz SYTMTLWNIKPNHL-UHFFFAOYSA-N 0 3 364.493 3.455 20 30 FGEDHN C=CCN1CCC(NCc2ccc(F)cc2I)CC1 ZINC000417905495 500195692 /nfs/dbraw/zinc/19/56/92/500195692.db2.gz YHBYLXZKLJHZRE-UHFFFAOYSA-N 0 3 374.241 3.170 20 30 FGEDHN CC(C)[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1CCCCC1 ZINC000426001486 500223211 /nfs/dbraw/zinc/22/32/11/500223211.db2.gz YEAPHCBTNJLERC-HXUWFJFHSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@H](C#N)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000426777574 500318711 /nfs/dbraw/zinc/31/87/11/500318711.db2.gz ONZNNCYOROLOPN-CYBMUJFWSA-N 0 3 364.287 3.032 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000419628605 500386130 /nfs/dbraw/zinc/38/61/30/500386130.db2.gz PYYQBAHVZYBPAD-MJGOQNOKSA-N 0 3 354.498 3.375 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)NCC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000419628603 500386351 /nfs/dbraw/zinc/38/63/51/500386351.db2.gz PYYQBAHVZYBPAD-IEBWSBKVSA-N 0 3 354.498 3.375 20 30 FGEDHN CN(C)C[C@H]1CCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000427725598 500424516 /nfs/dbraw/zinc/42/45/16/500424516.db2.gz IHFHYDCUUUBALB-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424084677 500450225 /nfs/dbraw/zinc/45/02/25/500450225.db2.gz AANYZYOKUCJIKR-MRXNPFEDSA-N 0 3 350.422 3.207 20 30 FGEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000424107058 500454157 /nfs/dbraw/zinc/45/41/57/500454157.db2.gz YFDRSASPEFNDTO-DNVCBOLYSA-N 0 3 364.449 3.137 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000424115632 500456539 /nfs/dbraw/zinc/45/65/39/500456539.db2.gz ARBOSYUYTMQHCN-PMACEKPBSA-N 0 3 351.450 3.082 20 30 FGEDHN CC(C)Nc1ccc(Br)cc1NC(=O)[C@H](N)CCCC#N ZINC000424130827 500458940 /nfs/dbraw/zinc/45/89/40/500458940.db2.gz IBLVKBJFNBNQAM-GFCCVEGCSA-N 0 3 353.264 3.229 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000424184417 500464637 /nfs/dbraw/zinc/46/46/37/500464637.db2.gz FFUGAKCIZXJORI-HNNXBMFYSA-N 0 3 351.853 3.428 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000424192782 500466052 /nfs/dbraw/zinc/46/60/52/500466052.db2.gz PPBHQEVMODTVES-SNVBAGLBSA-N 0 3 351.275 3.266 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000582380064 506198909 /nfs/dbraw/zinc/19/89/09/506198909.db2.gz MUQZLZWMMBZXPO-UWJYYQICSA-N 0 3 359.473 3.369 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](CCO)CC1 ZINC000421025497 500558012 /nfs/dbraw/zinc/55/80/12/500558012.db2.gz YVLFNLKYKFAQFI-IAGOWNOFSA-N 0 3 350.528 3.136 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2)CC1 ZINC000570612956 506205207 /nfs/dbraw/zinc/20/52/07/506205207.db2.gz MUIXOIHYQONYNQ-FCHUYYIVSA-N 0 3 374.488 3.442 20 30 FGEDHN CN(C)S(=O)(=O)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433020180 500607770 /nfs/dbraw/zinc/60/77/70/500607770.db2.gz RDYOUSKYDRQMHJ-FQEVSTJZSA-N 0 3 371.506 3.462 20 30 FGEDHN COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442804478 500627354 /nfs/dbraw/zinc/62/73/54/500627354.db2.gz WWFLVJVDSXYKBX-INIZCTEOSA-N 0 3 352.434 3.378 20 30 FGEDHN COc1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)ccc1C#N ZINC000442821555 500630857 /nfs/dbraw/zinc/63/08/57/500630857.db2.gz MZQHVQILPBQTNE-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000442832372 500632515 /nfs/dbraw/zinc/63/25/15/500632515.db2.gz BCXINKHDNJZSIC-SNPRPXQTSA-N 0 3 351.372 3.088 20 30 FGEDHN COc1cc(CN(CCN(C)C)Cc2ccc(F)cc2F)ccc1C#N ZINC000576670687 506207985 /nfs/dbraw/zinc/20/79/85/506207985.db2.gz VHXQVKJJCITFDS-UHFFFAOYSA-N 0 3 359.420 3.409 20 30 FGEDHN CCOC(=O)[C@](C)(CNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000443072027 500674588 /nfs/dbraw/zinc/67/45/88/500674588.db2.gz UIMOSXXYXIBZFV-OAQYLSRUSA-N 0 3 352.434 3.177 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448258587 500741509 /nfs/dbraw/zinc/74/15/09/500741509.db2.gz XDZGCPONLCAVNS-GOSISDBHSA-N 0 3 374.485 3.413 20 30 FGEDHN Cc1nc(C2CC2)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000448816801 500842790 /nfs/dbraw/zinc/84/27/90/500842790.db2.gz TWXVCIGGLJVWBM-UHFFFAOYSA-N 0 3 362.477 3.343 20 30 FGEDHN COC1CCN(C2(CNC(=O)c3ccc(C#N)cc3C)CCCC2)CC1 ZINC000438996591 500845089 /nfs/dbraw/zinc/84/50/89/500845089.db2.gz PGKSZIKSERCHHX-UHFFFAOYSA-N 0 3 355.482 3.020 20 30 FGEDHN C=C(C)CN(CC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449003606 500893132 /nfs/dbraw/zinc/89/31/32/500893132.db2.gz RREOMFMMJMJFQV-CYBMUJFWSA-N 0 3 369.303 3.360 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000444781642 500899471 /nfs/dbraw/zinc/89/94/71/500899471.db2.gz HNADJCUDXLBEMT-UHFFFAOYSA-N 0 3 350.462 3.254 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(CC1CCC1)C(C)C ZINC000444784132 500900101 /nfs/dbraw/zinc/90/01/01/500900101.db2.gz NCKXCOYPPNOWDF-UHFFFAOYSA-N 0 3 374.529 3.462 20 30 FGEDHN N#Cc1cccc(C2(C(=O)NCCCN3CCc4ccccc4C3)CC2)c1 ZINC000435033570 500924707 /nfs/dbraw/zinc/92/47/07/500924707.db2.gz KYXRNIXEHXTGSA-UHFFFAOYSA-N 0 3 359.473 3.154 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)NC1CC1 ZINC000449110579 500927650 /nfs/dbraw/zinc/92/76/50/500927650.db2.gz DZSDOUNDFIZBNJ-LLVKDONJSA-N 0 3 355.251 3.243 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)C(C)C ZINC000440216502 500987999 /nfs/dbraw/zinc/98/79/99/500987999.db2.gz OZTBIGCHINVUMK-SLFFLAALSA-N 0 3 363.546 3.143 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2c(cc1Br)OCO2 ZINC000435744009 501021741 /nfs/dbraw/zinc/02/17/41/501021741.db2.gz VHMBBMFCFYOZBH-BDJLRTHQSA-N 0 3 354.244 3.249 20 30 FGEDHN C=CCC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccccc1 ZINC000435762173 501024497 /nfs/dbraw/zinc/02/44/97/501024497.db2.gz NQKBDSABHIILRH-VQTJNVASSA-N 0 3 359.514 3.446 20 30 FGEDHN COc1cc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)ccc1C#N ZINC000449652415 501050269 /nfs/dbraw/zinc/05/02/69/501050269.db2.gz AXIPJBDSQYUKDH-NZSAHSFTSA-N 0 3 354.454 3.050 20 30 FGEDHN CC(C)N1CCN(c2cccc(Nc3ncc(C#N)cc3[N+](=O)[O-])c2)CC1 ZINC000450417341 501116735 /nfs/dbraw/zinc/11/67/35/501116735.db2.gz IZYDGWSNIYJMFB-UHFFFAOYSA-N 0 3 366.425 3.135 20 30 FGEDHN Cc1cccc2c1CCC[C@@H]2NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000596069532 506239663 /nfs/dbraw/zinc/23/96/63/506239663.db2.gz LNUNASTVQFJJPI-GCJKJVERSA-N 0 3 350.462 3.468 20 30 FGEDHN CC(C)N1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442052546 501193597 /nfs/dbraw/zinc/19/35/97/501193597.db2.gz GRUPROUVJOUSMI-UHFFFAOYSA-N 0 3 370.375 3.405 20 30 FGEDHN C[C@@H](CCC#N)CN[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602639057 506240138 /nfs/dbraw/zinc/24/01/38/506240138.db2.gz YTZDHUUTQQLPFA-WFASDCNBSA-N 0 3 350.260 3.084 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@]2(Cc3cccc(Cl)c3)CCOC2)CC1 ZINC000455487416 501315880 /nfs/dbraw/zinc/31/58/80/501315880.db2.gz JXVXCSMGJFHTGD-FQEVSTJZSA-N 0 3 362.901 3.056 20 30 FGEDHN C=CCn1c(CC2CC2)nnc1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000453425718 501328895 /nfs/dbraw/zinc/32/88/95/501328895.db2.gz OQEOHBJUJQHLSJ-SFHVURJKSA-N 0 3 365.525 3.375 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C(C)C)[C@H](CO)C(C)C)c1C ZINC000451594755 501333148 /nfs/dbraw/zinc/33/31/48/501333148.db2.gz DSDVARCZBDSCMP-DENIHFKCSA-N 0 3 373.541 3.429 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000453471156 501341358 /nfs/dbraw/zinc/34/13/58/501341358.db2.gz SEXCRYLSMCTPGT-LJQANCHMSA-N 0 3 373.545 3.408 20 30 FGEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 ZINC000451702444 501355138 /nfs/dbraw/zinc/35/51/38/501355138.db2.gz SMEBSVAOQNOVOS-YESZJQIVSA-N 0 3 353.384 3.420 20 30 FGEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000451789332 501372716 /nfs/dbraw/zinc/37/27/16/501372716.db2.gz WIAQLOANKQWSJS-HIFRSBDPSA-N 0 3 351.244 3.142 20 30 FGEDHN Cc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1OCCN(C)C ZINC000458199245 501390762 /nfs/dbraw/zinc/39/07/62/501390762.db2.gz QPFNSPCTGRGIAW-UHFFFAOYSA-N 0 3 363.461 3.477 20 30 FGEDHN Cc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)ccc1OCCN(C)C ZINC000458222029 501396982 /nfs/dbraw/zinc/39/69/82/501396982.db2.gz UYUHKTZBYASIQD-UHFFFAOYSA-N 0 3 366.465 3.125 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)cnc2OC(C)C)CC1 ZINC000455855890 501400808 /nfs/dbraw/zinc/40/08/08/501400808.db2.gz GLXNWWVOMUZBAV-UHFFFAOYSA-N 0 3 352.866 3.294 20 30 FGEDHN C=CC(C)(C)CNC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000458366298 501428639 /nfs/dbraw/zinc/42/86/39/501428639.db2.gz GSYHBZAKDYQYOA-KRWDZBQOSA-N 0 3 359.514 3.398 20 30 FGEDHN C=CCC1(NC(=O)NC2CCN(CCOC(C)C)CC2)CCCCC1 ZINC000458503980 501460729 /nfs/dbraw/zinc/46/07/29/501460729.db2.gz QFURORFXFMIZRH-UHFFFAOYSA-N 0 3 351.535 3.454 20 30 FGEDHN CN1CC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3C#N)C[C@@H]21 ZINC000456177923 501469959 /nfs/dbraw/zinc/46/99/59/501469959.db2.gz ZWSUELDNXVINRY-AEFFLSMTSA-N 0 3 363.486 3.486 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000456333425 501500917 /nfs/dbraw/zinc/50/09/17/501500917.db2.gz LLMXSDPTDBQCPF-MRXNPFEDSA-N 0 3 351.425 3.291 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000458661588 501501859 /nfs/dbraw/zinc/50/18/59/501501859.db2.gz UAQKJJXONZSXAT-LJQANCHMSA-N 0 3 359.514 3.045 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000454305534 501508744 /nfs/dbraw/zinc/50/87/44/501508744.db2.gz BEFWXFDWWOTRDY-GOSISDBHSA-N 0 3 362.477 3.222 20 30 FGEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458795935 501533751 /nfs/dbraw/zinc/53/37/51/501533751.db2.gz DKCWVCPCJUYLQZ-PMACEKPBSA-N 0 3 372.513 3.174 20 30 FGEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458795940 501533849 /nfs/dbraw/zinc/53/38/49/501533849.db2.gz DKCWVCPCJUYLQZ-WOJBJXKFSA-N 0 3 372.513 3.174 20 30 FGEDHN C=C[C@@](C)(O)CC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456795171 501600484 /nfs/dbraw/zinc/60/04/84/501600484.db2.gz SOKQVURPTVSEGS-GOSISDBHSA-N 0 3 352.862 3.079 20 30 FGEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](C)N(C)C)cc1 ZINC000454655629 501602451 /nfs/dbraw/zinc/60/24/51/501602451.db2.gz BSTNKWIZLDKJDO-AWEZNQCLSA-N 0 3 368.437 3.431 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000459474502 501659734 /nfs/dbraw/zinc/65/97/34/501659734.db2.gz XZDIACDXKOFSTD-HOJAQTOUSA-N 0 3 363.417 3.471 20 30 FGEDHN CCOc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000459555859 501675890 /nfs/dbraw/zinc/67/58/90/501675890.db2.gz GONHBIROWFSSMP-UHFFFAOYSA-N 0 3 353.466 3.226 20 30 FGEDHN Cc1ccc(C[C@H](CO)NC(=O)C(C#N)CCc2ccccc2)cc1C ZINC000457306153 501679261 /nfs/dbraw/zinc/67/92/61/501679261.db2.gz VZIQFIIWSMLFAT-NHCUHLMSSA-N 0 3 350.462 3.096 20 30 FGEDHN CCOC[C@H]1CCCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000459674885 501697406 /nfs/dbraw/zinc/69/74/06/501697406.db2.gz LMTGVXUDULQXPM-LJQANCHMSA-N 0 3 353.470 3.250 20 30 FGEDHN Cn1cc(CN2CC[C@@H](OCc3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000602716129 506271196 /nfs/dbraw/zinc/27/11/96/506271196.db2.gz UAQVFPRHPAJKOF-OAQYLSRUSA-N 0 3 373.460 3.145 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000485220511 501759861 /nfs/dbraw/zinc/75/98/61/501759861.db2.gz XKXUYXGHCLIUOQ-OAHLLOKOSA-N 0 3 359.367 3.379 20 30 FGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)CC3 ZINC000485275012 501774985 /nfs/dbraw/zinc/77/49/85/501774985.db2.gz SPHFYTFUBSZYIS-KKSFZXQISA-N 0 3 358.445 3.022 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cccc3cccnc32)cc1 ZINC000470735253 501786064 /nfs/dbraw/zinc/78/60/64/501786064.db2.gz ZXNINKGEVNZFKN-HXUWFJFHSA-N 0 3 354.413 3.148 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2OC(F)(F)F)cc1 ZINC000470743948 501789587 /nfs/dbraw/zinc/78/95/87/501789587.db2.gz DWRBYIIUGGKYKN-INIZCTEOSA-N 0 3 373.334 3.456 20 30 FGEDHN C=C(C)CN(CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1 ZINC000470935426 501862082 /nfs/dbraw/zinc/86/20/82/501862082.db2.gz XVICLSAXTOOTTO-UHFFFAOYSA-N 0 3 351.450 3.192 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccnc1N1CCOCC1 ZINC000481920224 501919274 /nfs/dbraw/zinc/91/92/74/501919274.db2.gz UGAYAOZKDCENFO-NRFANRHFSA-N 0 3 362.477 3.347 20 30 FGEDHN CC(C)(C)Oc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000471106975 501922093 /nfs/dbraw/zinc/92/20/93/501922093.db2.gz DTAZBCBPCXYKOE-SFHVURJKSA-N 0 3 362.433 3.129 20 30 FGEDHN N#CC(C(=O)c1cccc(-c2nc[nH]n2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464473694 501998674 /nfs/dbraw/zinc/99/86/74/501998674.db2.gz HKLAMVYKVYBJEG-ZDUSSCGKSA-N 0 3 357.295 3.376 20 30 FGEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1O ZINC000486059857 502034323 /nfs/dbraw/zinc/03/43/23/502034323.db2.gz FVLNXSVOAMTJEM-UHFFFAOYSA-N 0 3 351.450 3.030 20 30 FGEDHN Cc1nn(C)c(N2CCN(C[C@@H](c3ccccc3)C(C)C)CC2)c1C#N ZINC000475222965 502103325 /nfs/dbraw/zinc/10/33/25/502103325.db2.gz HGHSFFQEOOZARJ-HXUWFJFHSA-N 0 3 351.498 3.162 20 30 FGEDHN COc1cc(CN2CCC[C@@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000482832875 502191792 /nfs/dbraw/zinc/19/17/92/502191792.db2.gz CTWVCIZXLMEQAV-HXUWFJFHSA-N 0 3 366.461 3.350 20 30 FGEDHN CN(C)C1(CNS(=O)(=O)CC2(C#N)CCCCC2)CCCCCC1 ZINC000475552169 502210316 /nfs/dbraw/zinc/21/03/16/502210316.db2.gz HWPTZPPVRUUUHF-UHFFFAOYSA-N 0 3 355.548 3.034 20 30 FGEDHN Cc1cccc(CC2(O)CCN(CCOc3cccc(C#N)c3)CC2)c1 ZINC000482940386 502222555 /nfs/dbraw/zinc/22/25/55/502222555.db2.gz AIDJRGFSSUGHJM-UHFFFAOYSA-N 0 3 350.462 3.315 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000479352735 502233096 /nfs/dbraw/zinc/23/30/96/502233096.db2.gz YDQLCLAMZMEVSZ-IRXDYDNUSA-N 0 3 363.502 3.123 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)N(C)C)cc1 ZINC000486700208 502235760 /nfs/dbraw/zinc/23/57/60/502235760.db2.gz MIQCVKMSXPNXQJ-IBGZPJMESA-N 0 3 353.491 3.378 20 30 FGEDHN Cc1cc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)ccc1C#N ZINC000486792722 502263780 /nfs/dbraw/zinc/26/37/80/502263780.db2.gz FUBFPHCOBMLMDL-UHFFFAOYSA-N 0 3 351.425 3.400 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NCc3cc4ccc(F)cc4[nH]3)C2=O)cc1 ZINC000486888264 502295465 /nfs/dbraw/zinc/29/54/65/502295465.db2.gz RIXYGVBITMQUPV-IBGZPJMESA-N 0 3 362.408 3.069 20 30 FGEDHN N#CC(C(=O)c1ccccc1Cn1cncn1)c1nccc2ccccc21 ZINC000483205140 502313179 /nfs/dbraw/zinc/31/31/79/502313179.db2.gz VICIYUZSAXWYJO-LJQANCHMSA-N 0 3 353.385 3.365 20 30 FGEDHN C[C@H]1OCC[C@H]1N(CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483258276 502330494 /nfs/dbraw/zinc/33/04/94/502330494.db2.gz APGSNDJNHRSYQG-DENIHFKCSA-N 0 3 364.489 3.358 20 30 FGEDHN CCN1CC[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1C ZINC000469318817 502374017 /nfs/dbraw/zinc/37/40/17/502374017.db2.gz WUGJILVAYQJXLQ-YOEHRIQHSA-N 0 3 352.438 3.158 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000479818744 502387205 /nfs/dbraw/zinc/38/72/05/502387205.db2.gz RKINPURJXXOBFN-GOSISDBHSA-N 0 3 361.534 3.426 20 30 FGEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469581317 502469508 /nfs/dbraw/zinc/46/95/08/502469508.db2.gz VMOBIBYGVHBEBX-KXBFYZLASA-N 0 3 350.466 3.158 20 30 FGEDHN Cc1ccc([C@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000469620542 502482856 /nfs/dbraw/zinc/48/28/56/502482856.db2.gz JIJKFTUFLZUJAE-HNAYVOBHSA-N 0 3 370.474 3.072 20 30 FGEDHN N#Cc1cc(C(=O)NCC2CCN(Cc3cccs3)CC2)ccc1F ZINC000469636233 502487763 /nfs/dbraw/zinc/48/77/63/502487763.db2.gz XWELQYBHVGNWGO-UHFFFAOYSA-N 0 3 357.454 3.401 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000487965779 502582571 /nfs/dbraw/zinc/58/25/71/502582571.db2.gz GPAOXPUJNHKKTL-JKSUJKDBSA-N 0 3 364.449 3.475 20 30 FGEDHN CCC1CCC(N(CCO)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000488171782 502647039 /nfs/dbraw/zinc/64/70/39/502647039.db2.gz UBPNOPDURHFPOX-UHFFFAOYSA-N 0 3 357.498 3.196 20 30 FGEDHN COc1cc2c(cc1OC)CCN(CCCOc1cccc(C#N)c1)CC2 ZINC000477151484 502692540 /nfs/dbraw/zinc/69/25/40/502692540.db2.gz NBDAZQPVTUGTFZ-UHFFFAOYSA-N 0 3 366.461 3.445 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000484646104 502694603 /nfs/dbraw/zinc/69/46/03/502694603.db2.gz ODWXGLBZVHCIOT-DSKINZAPSA-N 0 3 355.482 3.083 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467042187 502767489 /nfs/dbraw/zinc/76/74/89/502767489.db2.gz ZZFPSMPSEBKTIW-UWVAXJGDSA-N 0 3 363.461 3.105 20 30 FGEDHN Cc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)nc(-c2ccccn2)n1 ZINC000470500068 502796515 /nfs/dbraw/zinc/79/65/15/502796515.db2.gz YWQQSOVVLSJJPD-UHFFFAOYSA-N 0 3 372.476 3.287 20 30 FGEDHN CN(C)C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(F)cc1 ZINC000588776762 506334983 /nfs/dbraw/zinc/33/49/83/506334983.db2.gz ATGAKDQKABXYGE-GOSISDBHSA-N 0 3 364.424 3.337 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463432500 502799030 /nfs/dbraw/zinc/79/90/30/502799030.db2.gz UPALKTHZHMCGAO-JOCHJYFZSA-N 0 3 350.462 3.384 20 30 FGEDHN C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H](c1ccccc1)N(C)C ZINC000500668225 502836049 /nfs/dbraw/zinc/83/60/49/502836049.db2.gz GKOLDVZYFBKLMV-QRWLVFNGSA-N 0 3 350.466 3.045 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1-n1cccn1)C(C)C ZINC000495982741 502868082 /nfs/dbraw/zinc/86/80/82/502868082.db2.gz PYYDJABUDUYREC-FQEVSTJZSA-N 0 3 352.482 3.301 20 30 FGEDHN CN(C(=O)CNC(C)(C)COCc1ccccc1)C1(C#N)CCCCC1 ZINC000500814584 502869690 /nfs/dbraw/zinc/86/96/90/502869690.db2.gz JIUTZUCQSIVTIV-UHFFFAOYSA-N 0 3 357.498 3.256 20 30 FGEDHN Cc1cc(C(=O)NCc2ccc(CN(C)C)cc2)nn1-c1cccc(C#N)c1 ZINC000505480337 502912887 /nfs/dbraw/zinc/91/28/87/502912887.db2.gz OCQOEXCJRIIHGA-UHFFFAOYSA-N 0 3 373.460 3.044 20 30 FGEDHN CN(C)CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CC1 ZINC000505656701 502960982 /nfs/dbraw/zinc/96/09/82/502960982.db2.gz LOHQGMSZERFWNX-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)c1cc(C#N)cn1C)c1ccc(Cl)cc1 ZINC000513554189 502964801 /nfs/dbraw/zinc/96/48/01/502964801.db2.gz OBORQZWSFRCAAF-SFHVURJKSA-N 0 3 358.873 3.363 20 30 FGEDHN CCN(CCCN1CCC(c2ccc(C#N)cn2)CC1)CC(F)(F)F ZINC000602907586 506346210 /nfs/dbraw/zinc/34/62/10/506346210.db2.gz OJYLQHCGCAPYKF-UHFFFAOYSA-N 0 3 354.420 3.407 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000599150100 506347725 /nfs/dbraw/zinc/34/77/25/506347725.db2.gz XPZNYXOMKIXRLP-ICSRJNTNSA-N 0 3 352.482 3.252 20 30 FGEDHN N#Cc1ccc(C2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)nc1 ZINC000602910066 506348031 /nfs/dbraw/zinc/34/80/31/506348031.db2.gz DAXJCPIVXMOKOS-GOSISDBHSA-N 0 3 371.868 3.226 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCN1CCCC[C@H]1CC ZINC000497837456 503051263 /nfs/dbraw/zinc/05/12/63/503051263.db2.gz TVGAGIQUEVFZQK-QGZVFWFLSA-N 0 3 363.502 3.124 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000506501238 503127342 /nfs/dbraw/zinc/12/73/42/503127342.db2.gz UZTFICKXDAQJOP-GOSISDBHSA-N 0 3 365.481 3.047 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)N(C)C ZINC000510528583 503135096 /nfs/dbraw/zinc/13/50/96/503135096.db2.gz XQSXASHMVRSJJF-FVJLSDCUSA-N 0 3 365.477 3.442 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ncc(C#N)cc1Cl)N(C)C ZINC000510545290 503140103 /nfs/dbraw/zinc/14/01/03/503140103.db2.gz KLXIXLZTUJYYCT-FZKQIMNGSA-N 0 3 356.857 3.336 20 30 FGEDHN Cn1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1C#N ZINC000490537551 503191463 /nfs/dbraw/zinc/19/14/63/503191463.db2.gz BZEJBZAKJVYKBG-CYBMUJFWSA-N 0 3 351.376 3.029 20 30 FGEDHN C[C@H]1CCN(C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000498737245 503253064 /nfs/dbraw/zinc/25/30/64/503253064.db2.gz NCCCSAQOEZLBIG-KRWDZBQOSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)Cc1ccccc1 ZINC000507509930 503311561 /nfs/dbraw/zinc/31/15/61/503311561.db2.gz MXGTUVWHMOPJLD-UHFFFAOYSA-N 0 3 353.441 3.223 20 30 FGEDHN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502940894 503311868 /nfs/dbraw/zinc/31/18/68/503311868.db2.gz RXUXXJVMYMFQRZ-DYESRHJHSA-N 0 3 372.513 3.170 20 30 FGEDHN CC(C)[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000515415097 503333744 /nfs/dbraw/zinc/33/37/44/503333744.db2.gz OXVCJAVIKUMGCP-OXQOHEQNSA-N 0 3 364.449 3.161 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000511534695 503338630 /nfs/dbraw/zinc/33/86/30/503338630.db2.gz ZXSLDSVQFSDTSW-OAQYLSRUSA-N 0 3 365.452 3.141 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000499314955 503378270 /nfs/dbraw/zinc/37/82/70/503378270.db2.gz WBZIPCGEZCEXAF-FUHWJXTLSA-N 0 3 359.518 3.177 20 30 FGEDHN CCN(CC)C(=O)c1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511744638 503379273 /nfs/dbraw/zinc/37/92/73/503379273.db2.gz WXNNIYGGVWTGBG-KRWDZBQOSA-N 0 3 350.422 3.066 20 30 FGEDHN C[C@@H]1C[C@@]1(NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000503404258 503402036 /nfs/dbraw/zinc/40/20/36/503402036.db2.gz FZVAHYXPNFYTJJ-DJKXOVBDSA-N 0 3 356.853 3.476 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCN1CCC ZINC000511908960 503414092 /nfs/dbraw/zinc/41/40/92/503414092.db2.gz GUIGGMVTOKVASI-IBGZPJMESA-N 0 3 361.534 3.426 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000508040050 503417679 /nfs/dbraw/zinc/41/76/79/503417679.db2.gz UPUDMVRMXMIHKQ-UHFFFAOYSA-N 0 3 358.482 3.208 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(C#N)[nH]2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000493475560 503429461 /nfs/dbraw/zinc/42/94/61/503429461.db2.gz AURFAYMXQMPNBY-SFHVURJKSA-N 0 3 374.448 3.091 20 30 FGEDHN C[C@@H]1C[C@@H]1c1noc(CC2CCN(CCOc3ccc(C#N)cc3)CC2)n1 ZINC000593077629 506379645 /nfs/dbraw/zinc/37/96/45/506379645.db2.gz NMAGYLNCTQWYHC-BEFAXECRSA-N 0 3 366.465 3.398 20 30 FGEDHN CN1C(=O)C[C@@H](NCCOc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000494270789 503517078 /nfs/dbraw/zinc/51/70/78/503517078.db2.gz KIINQPGBBPSUED-QUCCMNQESA-N 0 3 369.852 3.152 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508715930 503549475 /nfs/dbraw/zinc/54/94/75/503549475.db2.gz QCQSYOBJCLNDOJ-CALCHBBNSA-N 0 3 373.545 3.057 20 30 FGEDHN C=CCCc1ccccc1NC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000504290141 503549693 /nfs/dbraw/zinc/54/96/93/503549693.db2.gz QSOFSCFNZUUMNT-RBUKOAKNSA-N 0 3 369.509 3.077 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1(C(F)(F)F)CC1 ZINC000512493292 503569416 /nfs/dbraw/zinc/56/94/16/503569416.db2.gz GRDFEJOJHLFKIY-UHFFFAOYSA-N 0 3 353.388 3.181 20 30 FGEDHN COc1cc(CN[C@@H](CN2CCOCC2)c2ccccc2C)ccc1C#N ZINC000516690578 503569930 /nfs/dbraw/zinc/56/99/30/503569930.db2.gz WBXCONAAIISBCF-NRFANRHFSA-N 0 3 365.477 3.038 20 30 FGEDHN C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512635779 503600377 /nfs/dbraw/zinc/60/03/77/503600377.db2.gz IINMZHUCODCCNJ-KBXCAEBGSA-N 0 3 359.470 3.483 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000494869975 503626675 /nfs/dbraw/zinc/62/66/75/503626675.db2.gz GIEZUNFBGDZXHF-SNVBAGLBSA-N 0 3 362.421 3.173 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000494881519 503629139 /nfs/dbraw/zinc/62/91/39/503629139.db2.gz WUKNZKMUBZLMCU-PMACEKPBSA-N 0 3 359.514 3.446 20 30 FGEDHN CC(C)Oc1ccc2nccc(N(C)CCCc3[nH]nc(N)c3C#N)c2c1 ZINC000517010994 503642557 /nfs/dbraw/zinc/64/25/57/503642557.db2.gz WQDFBMXTZYQTBN-UHFFFAOYSA-N 0 3 364.453 3.098 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(C)C ZINC000495165632 503687418 /nfs/dbraw/zinc/68/74/18/503687418.db2.gz FDPKMVCZWPENMD-IBGZPJMESA-N 0 3 369.509 3.345 20 30 FGEDHN N#CCCC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000517236559 503688371 /nfs/dbraw/zinc/68/83/71/503688371.db2.gz ARVNVYXGNNZOPH-UHFFFAOYSA-N 0 3 352.438 3.364 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000517304370 503709563 /nfs/dbraw/zinc/70/95/63/503709563.db2.gz GYIGMEGTOMNGEZ-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN COCc1ccc(NC(=O)C2(C)CCN(c3ccncc3)CC2)cc1C#N ZINC000529813797 503714547 /nfs/dbraw/zinc/71/45/47/503714547.db2.gz DCIKANJXEZOSFJ-UHFFFAOYSA-N 0 3 364.449 3.345 20 30 FGEDHN CCN(CC)C(=O)C1(NCCOc2ccc(C#N)cc2OC)CCCCC1 ZINC000533060337 503718166 /nfs/dbraw/zinc/71/81/66/503718166.db2.gz FENACFGHTWRTPU-UHFFFAOYSA-N 0 3 373.497 3.107 20 30 FGEDHN Cc1cc(NC(=O)NCCCC#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000543315171 503721912 /nfs/dbraw/zinc/72/19/12/503721912.db2.gz FNRDDDJBESFHND-SFHVURJKSA-N 0 3 366.469 3.064 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000533080235 503724186 /nfs/dbraw/zinc/72/41/86/503724186.db2.gz GJEYAHACNBOJGK-QRVBRYPASA-N 0 3 355.482 3.070 20 30 FGEDHN N#CCc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000517635559 503792732 /nfs/dbraw/zinc/79/27/32/503792732.db2.gz RQTFUEGTPJAACH-UHFFFAOYSA-N 0 3 362.477 3.294 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)cc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000533308874 503802247 /nfs/dbraw/zinc/80/22/47/503802247.db2.gz GXCOZCHPOUIQMQ-OAHLLOKOSA-N 0 3 370.447 3.439 20 30 FGEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540708363 503862744 /nfs/dbraw/zinc/86/27/44/503862744.db2.gz VNTSDVQEUOXVSD-KGLIPLIRSA-N 0 3 350.397 3.147 20 30 FGEDHN C=CCN1C(=O)N(C[C@H]2CCN2C2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000530206673 503876043 /nfs/dbraw/zinc/87/60/43/503876043.db2.gz DJZLPYCVBFKBKL-WOJBJXKFSA-N 0 3 367.493 3.065 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCCOc2c(Cl)cccc21 ZINC000530231676 503884721 /nfs/dbraw/zinc/88/47/21/503884721.db2.gz KRZCTOSQKUQJNG-QAPCUYQASA-N 0 3 372.852 3.455 20 30 FGEDHN CCN(CCC1CC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000546931830 503931419 /nfs/dbraw/zinc/93/14/19/503931419.db2.gz WGTITFGQEPACAW-UHFFFAOYSA-N 0 3 352.400 3.295 20 30 FGEDHN COc1ccc2c(c1)[C@H](N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000540953401 503952546 /nfs/dbraw/zinc/95/25/46/503952546.db2.gz KFLCRPZWYNYGCF-NHCUHLMSSA-N 0 3 361.445 3.339 20 30 FGEDHN C[C@@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000540976281 503961722 /nfs/dbraw/zinc/96/17/22/503961722.db2.gz LQKZMLZFKRETQX-BEFAXECRSA-N 0 3 372.513 3.398 20 30 FGEDHN CN(C[C@@H](O)CNc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000518520352 504007719 /nfs/dbraw/zinc/00/77/19/504007719.db2.gz ITGAEIHRMCTYAP-FQEVSTJZSA-N 0 3 351.450 3.004 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nccnc2Sc2ccccc2)CC1 ZINC000544225067 504052693 /nfs/dbraw/zinc/05/26/93/504052693.db2.gz QTXKUZYKHPJULQ-UHFFFAOYSA-N 0 3 354.479 3.008 20 30 FGEDHN C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000547474093 504119637 /nfs/dbraw/zinc/11/96/37/504119637.db2.gz PKRBDYYVONXSIE-SJORKVTESA-N 0 3 367.559 3.033 20 30 FGEDHN Cc1nc(SCC(=O)N(CCN(C)C)CC(C)C)c(C#N)c(C)c1C ZINC000519147721 504151144 /nfs/dbraw/zinc/15/11/44/504151144.db2.gz SEAPGUOIJXCXLU-UHFFFAOYSA-N 0 3 362.543 3.017 20 30 FGEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@@H](O)COc1ccccc1C#N ZINC000528391275 504202878 /nfs/dbraw/zinc/20/28/78/504202878.db2.gz XLKUREVXOXXFHT-MOXGXCLJSA-N 0 3 354.425 3.315 20 30 FGEDHN COc1ccc(C2CCN(C[C@H](O)COc3ccccc3C#N)CC2)cc1 ZINC000528391486 504203504 /nfs/dbraw/zinc/20/35/04/504203504.db2.gz AQCXEZHFMADIAV-FQEVSTJZSA-N 0 3 366.461 3.186 20 30 FGEDHN CC1(C)CN(C[C@H](O)COc2ccccc2C#N)CC[C@H]1C(F)(F)F ZINC000528473826 504239173 /nfs/dbraw/zinc/23/91/73/504239173.db2.gz IMJUFNXRTZDDLF-GOEBONIOSA-N 0 3 356.388 3.208 20 30 FGEDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528488072 504244387 /nfs/dbraw/zinc/24/43/87/504244387.db2.gz NIYHUEFLCDYNCT-PZJWPPBQSA-N 0 3 354.425 3.101 20 30 FGEDHN CC(C)c1ccccc1OC[C@@H](O)CNCCOc1ccc(C#N)cc1 ZINC000519597046 504268591 /nfs/dbraw/zinc/26/85/91/504268591.db2.gz MDVJPCPBHOLYDU-SFHVURJKSA-N 0 3 354.450 3.090 20 30 FGEDHN CCN(C(=O)COc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544848305 504279941 /nfs/dbraw/zinc/27/99/41/504279941.db2.gz RBAYEMGHCPLHFK-HXUWFJFHSA-N 0 3 363.461 3.060 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c3c(sc2-n2cccc2)CCC3)CC1 ZINC000535390433 504421925 /nfs/dbraw/zinc/42/19/25/504421925.db2.gz HVFGMPQCSXUHHI-UHFFFAOYSA-N 0 3 355.507 3.408 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000542312905 504447184 /nfs/dbraw/zinc/44/71/84/504447184.db2.gz FXYGCPQVOIEHDN-NHCUHLMSSA-N 0 3 355.482 3.097 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCN2C2CCCCC2)cc1 ZINC000528932028 504456957 /nfs/dbraw/zinc/45/69/57/504456957.db2.gz VMKUXSIMPAKFLL-LJQANCHMSA-N 0 3 370.497 3.131 20 30 FGEDHN N#Cc1nc(NCc2ccc(OCCN3CCCC3)cc2)ccc1Cl ZINC000520340532 504471223 /nfs/dbraw/zinc/47/12/23/504471223.db2.gz NBDMXJXUNSFELT-UHFFFAOYSA-N 0 3 356.857 3.115 20 30 FGEDHN COCCN(Cc1cc(-n2ccnc2)cs1)Cc1ccc(C#N)cc1 ZINC000542464159 504500731 /nfs/dbraw/zinc/50/07/31/504500731.db2.gz AKGWGLBFSPVCPS-UHFFFAOYSA-N 0 3 352.463 3.454 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000520461612 504504352 /nfs/dbraw/zinc/50/43/52/504504352.db2.gz NDWGDSATGBETJN-MSOLQXFVSA-N 0 3 353.514 3.282 20 30 FGEDHN C=CCCO[C@H](C)C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCCN1CC ZINC000536037406 504614364 /nfs/dbraw/zinc/61/43/64/504614364.db2.gz YYYNYVKAEROWKS-IEBWSBKVSA-N 0 3 360.498 3.186 20 30 FGEDHN N#CCC1CCN(CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000542879493 504644488 /nfs/dbraw/zinc/64/44/88/504644488.db2.gz QKELABREGINSTG-UHFFFAOYSA-N 0 3 355.511 3.320 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000546002604 504670486 /nfs/dbraw/zinc/67/04/86/504670486.db2.gz MDNPKFBZKAMISS-KXBFYZLASA-N 0 3 364.449 3.209 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC#Cc1cccc(F)c1 ZINC000549202718 504722546 /nfs/dbraw/zinc/72/25/46/504722546.db2.gz JAXXZRGKGOVFPO-UHFFFAOYSA-N 0 3 371.431 3.090 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000559070308 504773948 /nfs/dbraw/zinc/77/39/48/504773948.db2.gz XJJJSOHNMYBWFM-LJQANCHMSA-N 0 3 354.425 3.144 20 30 FGEDHN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000565131194 504804040 /nfs/dbraw/zinc/80/40/40/504804040.db2.gz UBVOSJCKCMJCNF-QGZVFWFLSA-N 0 3 355.461 3.252 20 30 FGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC000553378911 504897994 /nfs/dbraw/zinc/89/79/94/504897994.db2.gz COGLIULIOMINRR-CABCVRRESA-N 0 3 354.372 3.327 20 30 FGEDHN CCOCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000549813467 504905370 /nfs/dbraw/zinc/90/53/70/504905370.db2.gz LUGHFZKAXPJDGS-UHFFFAOYSA-N 0 3 368.481 3.309 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000553672657 504978747 /nfs/dbraw/zinc/97/87/47/504978747.db2.gz MPJRDCLYMNMHID-OAQYLSRUSA-N 0 3 365.477 3.307 20 30 FGEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000565806335 504992113 /nfs/dbraw/zinc/99/21/13/504992113.db2.gz GPOINRSUMDOFAA-NVXWUHKLSA-N 0 3 356.388 3.233 20 30 FGEDHN CC(C)n1cc([C@@H](C)NCC#CCN[C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000560165073 505008119 /nfs/dbraw/zinc/00/81/19/505008119.db2.gz BDCJYHPGUOJAGB-HDICACEKSA-N 0 3 356.518 3.246 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000553815588 505017898 /nfs/dbraw/zinc/01/78/98/505017898.db2.gz YDMUNHXZMXVGJF-DIECFANBSA-N 0 3 350.528 3.300 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCc3sc(Cl)cc32)cc1 ZINC000563013025 505020212 /nfs/dbraw/zinc/02/02/12/505020212.db2.gz ZELFWSYYSQYNRA-BBRMVZONSA-N 0 3 362.882 3.484 20 30 FGEDHN C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN(Cc2ccccc2)C1 ZINC000563233106 505082576 /nfs/dbraw/zinc/08/25/76/505082576.db2.gz DSBNYNWDEOVLCK-QZNHQXDQSA-N 0 3 359.473 3.443 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CN1Cc1ccccc1 ZINC000560555799 505125323 /nfs/dbraw/zinc/12/53/23/505125323.db2.gz DXDIEEPAYCJIFD-QAPCUYQASA-N 0 3 351.425 3.019 20 30 FGEDHN Cc1nc2cccc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2[nH]1 ZINC000566391363 505162285 /nfs/dbraw/zinc/16/22/85/505162285.db2.gz BJKTXEQGSSJOHV-UHFFFAOYSA-N 0 3 373.460 3.160 20 30 FGEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000563514429 505163403 /nfs/dbraw/zinc/16/34/03/505163403.db2.gz YZTJMXKNHHBZQO-SFHVURJKSA-N 0 3 364.449 3.300 20 30 FGEDHN CCCN(CC)Cc1ccc(C(=O)NCC(=O)c2ccc(C#N)cc2)cc1 ZINC000560753509 505177434 /nfs/dbraw/zinc/17/74/34/505177434.db2.gz UZRBLSKJPZMWEK-UHFFFAOYSA-N 0 3 363.461 3.403 20 30 FGEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000551248726 505184967 /nfs/dbraw/zinc/18/49/67/505184967.db2.gz PQQBDCAUAFOEDX-WBOJAVRRSA-N 0 3 359.436 3.484 20 30 FGEDHN N#Cc1cccc(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000557702865 505207631 /nfs/dbraw/zinc/20/76/31/505207631.db2.gz QGNPQIKMWDGEOK-OAQYLSRUSA-N 0 3 362.477 3.065 20 30 FGEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000563708128 505217443 /nfs/dbraw/zinc/21/74/43/505217443.db2.gz MIPRKNKXGAZQDN-HRAATJIYSA-N 0 3 355.457 3.350 20 30 FGEDHN CCN(CC(=O)N1CCCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000557746138 505219597 /nfs/dbraw/zinc/21/95/97/505219597.db2.gz RWBWPURAKAGYQM-LJQANCHMSA-N 0 3 355.482 3.010 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc[nH]c1C1CCC1 ZINC000566671678 505239617 /nfs/dbraw/zinc/23/96/17/505239617.db2.gz YTRAGLKOYMUGGN-UHFFFAOYSA-N 0 3 350.466 3.358 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(C)n2)N(C)C)cc1 ZINC000554706935 505245839 /nfs/dbraw/zinc/24/58/39/505245839.db2.gz ZVADFKOCEQBUBJ-GOSISDBHSA-N 0 3 354.479 3.016 20 30 FGEDHN COc1ccc(COC[C@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000561137825 505260074 /nfs/dbraw/zinc/26/00/74/505260074.db2.gz MFJMCYXOJZHERG-KNQAVFIVSA-N 0 3 366.461 3.112 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc(C#N)cn2C)N(C)C)cc1 ZINC000557983056 505277682 /nfs/dbraw/zinc/27/76/82/505277682.db2.gz ANLKWJAHAHQGEB-FQEVSTJZSA-N 0 3 352.482 3.128 20 30 FGEDHN C=C(C)CN1CCC(Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000561209092 505281785 /nfs/dbraw/zinc/28/17/85/505281785.db2.gz KQQICRWOOCNZBY-UHFFFAOYSA-N 0 3 360.383 3.398 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000554928934 505301295 /nfs/dbraw/zinc/30/12/95/505301295.db2.gz VAFZITACLBIYLA-CVEARBPZSA-N 0 3 355.486 3.059 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000561427895 505342939 /nfs/dbraw/zinc/34/29/39/505342939.db2.gz DIUHXRJYMJZAAB-KRWDZBQOSA-N 0 3 367.449 3.334 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](CO)C2CCCC2)c1C#N ZINC000567284659 505417937 /nfs/dbraw/zinc/41/79/37/505417937.db2.gz UAHZWMBVEVZXIH-IBGZPJMESA-N 0 3 372.513 3.171 20 30 FGEDHN CN(C)C[C@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(Cl)cc1 ZINC000552259274 505443143 /nfs/dbraw/zinc/44/31/43/505443143.db2.gz XCEYHJPENNDXLV-SFHVURJKSA-N 0 3 359.832 3.312 20 30 FGEDHN CN1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000552399580 505482570 /nfs/dbraw/zinc/48/25/70/505482570.db2.gz QGRBZRMAZMHSRN-UXHICEINSA-N 0 3 363.436 3.291 20 30 FGEDHN N#CCC[C@@H](C#N)CNC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000558750729 505483167 /nfs/dbraw/zinc/48/31/67/505483167.db2.gz OYMOWLLZALYOFE-ZDUSSCGKSA-N 0 3 351.376 3.102 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2CCC(CCC#N)CC2)[C@H](C(F)(F)F)C1 ZINC000567591582 505508209 /nfs/dbraw/zinc/50/82/09/505508209.db2.gz VSLPGLRLPXZNBR-HUUCEWRRSA-N 0 3 359.436 3.438 20 30 FGEDHN CC(C)OC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000555840900 505524110 /nfs/dbraw/zinc/52/41/10/505524110.db2.gz YGWQMRLTASHLEQ-UHFFFAOYSA-N 0 3 353.470 3.248 20 30 FGEDHN C=CCN(CC=C)[C@H](CNc1nn2c(C)nnc2c2ccccc21)C(C)C ZINC000555898060 505536395 /nfs/dbraw/zinc/53/63/95/505536395.db2.gz DOOQAPWRLFVXGY-LJQANCHMSA-N 0 3 364.497 3.118 20 30 FGEDHN C[C@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)Oc1ccccc1Cl ZINC000564854871 505540326 /nfs/dbraw/zinc/54/03/26/505540326.db2.gz PJILVEINUDBAAE-NVXWUHKLSA-N 0 3 374.868 3.203 20 30 FGEDHN C=CCSc1ccccc1C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000559038204 505555553 /nfs/dbraw/zinc/55/55/53/505555553.db2.gz ONXCUUUJURFRRY-UHFFFAOYSA-N 0 3 356.495 3.102 20 30 FGEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000559047246 505556920 /nfs/dbraw/zinc/55/69/20/505556920.db2.gz PRLUQIPVLQUAPH-NHCUHLMSSA-N 0 3 362.477 3.237 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](c3cccnc3)C2)c(OC)c1 ZINC000564921162 505558851 /nfs/dbraw/zinc/55/88/51/505558851.db2.gz VFAOIUCHWXETOH-VQTJNVASSA-N 0 3 368.477 3.048 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1cccs1 ZINC000596391486 506384199 /nfs/dbraw/zinc/38/41/99/506384199.db2.gz GRBBMTIKSFGVFG-LZLYRXPVSA-N 0 3 360.527 3.466 20 30 FGEDHN CN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599258533 506388298 /nfs/dbraw/zinc/38/82/98/506388298.db2.gz ICUHHPLCXQLCGV-HNNXBMFYSA-N 0 3 372.387 3.088 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccccc1N1CCOCC1 ZINC000582752855 506397633 /nfs/dbraw/zinc/39/76/33/506397633.db2.gz FWCFJOPSTQJHJW-UHFFFAOYSA-N 0 3 365.477 3.043 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000589006338 506409938 /nfs/dbraw/zinc/40/99/38/506409938.db2.gz CLLNBYSAPDNCBV-CRAIPNDOSA-N 0 3 364.449 3.351 20 30 FGEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)CC1(C#N)CCOCC1)CCC2 ZINC000599330471 506414428 /nfs/dbraw/zinc/41/44/28/506414428.db2.gz ADANPYOZQAOGNJ-ZBFHGGJFSA-N 0 3 363.527 3.086 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000582814532 506431575 /nfs/dbraw/zinc/43/15/75/506431575.db2.gz XXGRZTSSZBVOBX-IBGZPJMESA-N 0 3 351.498 3.036 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC(c3cccc(F)c3F)CC2)CCOCC1 ZINC000599373106 506432558 /nfs/dbraw/zinc/43/25/58/506432558.db2.gz TVXLDOYKCPFGBG-MRXNPFEDSA-N 0 3 364.436 3.216 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)Nc1ccnc(C#N)c1 ZINC000603134628 506432966 /nfs/dbraw/zinc/43/29/66/506432966.db2.gz NLRLJVQXFMABJD-UHFFFAOYSA-N 0 3 364.453 3.119 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(CNC2CCCC2)nn1 ZINC000603188112 506451975 /nfs/dbraw/zinc/45/19/75/506451975.db2.gz HRGITMJDGGWVTP-LBPRGKRZSA-N 0 3 372.860 3.035 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CC3(CC=CC3)[C@@H]2c2ccccc2)CCOCC1 ZINC000599451120 506460721 /nfs/dbraw/zinc/46/07/21/506460721.db2.gz AXGRBAWLNHIMDJ-UXHICEINSA-N 0 3 352.478 3.451 20 30 FGEDHN Cc1cccc([C@H]2CCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174195 506473036 /nfs/dbraw/zinc/47/30/36/506473036.db2.gz URKUZVWXZZEDMU-SFTDATJTSA-N 0 3 350.462 3.290 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000582901352 506479507 /nfs/dbraw/zinc/47/95/07/506479507.db2.gz BOCZSCPDRVQQIH-NRFANRHFSA-N 0 3 362.477 3.074 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000596601101 506482983 /nfs/dbraw/zinc/48/29/83/506482983.db2.gz NROOVHJVOZGCQK-LJQANCHMSA-N 0 3 356.514 3.275 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)NCCc1ccc(C#N)cc1)c1ccco1 ZINC000596599373 506483068 /nfs/dbraw/zinc/48/30/68/506483068.db2.gz VKYANJRHPXVFSF-CRAIPNDOSA-N 0 3 354.454 3.122 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000582958912 506510909 /nfs/dbraw/zinc/51/09/09/506510909.db2.gz FFTMFNRURLCPAZ-ZBEGNZNMSA-N 0 3 353.253 3.255 20 30 FGEDHN N#CCc1ccc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000596659138 506516770 /nfs/dbraw/zinc/51/67/70/506516770.db2.gz SPDMZYDLCPWNGK-UHFFFAOYSA-N 0 3 363.465 3.181 20 30 FGEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cc(C)ccc1C ZINC000599645616 506550065 /nfs/dbraw/zinc/55/00/65/506550065.db2.gz RANWLZPCFYZPDA-GOSISDBHSA-N 0 3 357.479 3.085 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)CN1Cc1ccccc1 ZINC000593374843 506582989 /nfs/dbraw/zinc/58/29/89/506582989.db2.gz LTPJFBUNKAEYSK-OXQOHEQNSA-N 0 3 360.461 3.246 20 30 FGEDHN COc1ccc([C@@H](NCCC(=O)Nc2cccc(C#N)c2)C2CC2)cn1 ZINC000599696798 506587341 /nfs/dbraw/zinc/58/73/41/506587341.db2.gz HOWIZDLYHSFDGN-FQEVSTJZSA-N 0 3 350.422 3.031 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2O1 ZINC000612479102 506592689 /nfs/dbraw/zinc/59/26/89/506592689.db2.gz OZGBFBHCQDYJJV-OAHLLOKOSA-N 0 3 355.825 3.181 20 30 FGEDHN C[C@]1(C#N)CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000596797485 506603950 /nfs/dbraw/zinc/60/39/50/506603950.db2.gz UDSOTZZBDNOEOV-HXUWFJFHSA-N 0 3 356.470 3.319 20 30 FGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000596845244 506633311 /nfs/dbraw/zinc/63/33/11/506633311.db2.gz PSIWQBQWZPOSTH-KRWDZBQOSA-N 0 3 354.498 3.353 20 30 FGEDHN C=CCCSCCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000596845909 506634964 /nfs/dbraw/zinc/63/49/64/506634964.db2.gz YQEQMKFKKOFGKD-UHFFFAOYSA-N 0 3 362.543 3.259 20 30 FGEDHN CSc1cccc(N(C(=O)c2cccc(C#N)n2)C2CCN(C)CC2)c1 ZINC000589775759 506647947 /nfs/dbraw/zinc/64/79/47/506647947.db2.gz ZOZRBLLRYJKKTN-UHFFFAOYSA-N 0 3 366.490 3.416 20 30 FGEDHN COCCN(Cc1ccc(C)cc1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000603895219 506651745 /nfs/dbraw/zinc/65/17/45/506651745.db2.gz YUBZCWDTXPBDIW-OAQYLSRUSA-N 0 3 368.477 3.063 20 30 FGEDHN CN(C[C@@H](O)COc1ccccc1Oc1ccc(C#N)cc1F)C1CC1 ZINC000583236760 506666220 /nfs/dbraw/zinc/66/62/20/506666220.db2.gz XFVUQCMPXLFXTA-MRXNPFEDSA-N 0 3 356.397 3.324 20 30 FGEDHN Cc1nsc(NC(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)c1C#N ZINC000596906481 506668463 /nfs/dbraw/zinc/66/84/63/506668463.db2.gz RHVUIVFUPYIQDX-MRXNPFEDSA-N 0 3 369.494 3.104 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)N3CC[C@@](F)(C#N)C3)sc2c1)C1CC1 ZINC000596999157 506723417 /nfs/dbraw/zinc/72/34/17/506723417.db2.gz PXRHFEBCPVMXAB-GOSISDBHSA-N 0 3 373.457 3.360 20 30 FGEDHN COC(=O)[C@@H]1CN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@H]1C1CC1 ZINC000593696538 506736079 /nfs/dbraw/zinc/73/60/79/506736079.db2.gz GPVDLVSRHOFWLF-ZWKOTPCHSA-N 0 3 372.465 3.009 20 30 FGEDHN COC(=O)c1coc([C@@H](C)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593720497 506747141 /nfs/dbraw/zinc/74/71/41/506747141.db2.gz GEFBGIUTRWKYBH-OAHLLOKOSA-N 0 3 367.449 3.253 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000597176751 506814448 /nfs/dbraw/zinc/81/44/48/506814448.db2.gz VXZKGWWWQODVID-IBGZPJMESA-N 0 3 373.460 3.251 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000593890186 506822206 /nfs/dbraw/zinc/82/22/06/506822206.db2.gz ANXCWDVZZGZGSU-IBGZPJMESA-N 0 3 363.436 3.452 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@](O)(C3CC3)C2)c(-c2ccccc2)n1 ZINC000597205659 506833616 /nfs/dbraw/zinc/83/36/16/506833616.db2.gz NUVLMEAGRMPOGB-NRFANRHFSA-N 0 3 350.466 3.201 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000609355441 506864905 /nfs/dbraw/zinc/86/49/05/506864905.db2.gz AUVONAZTXIHNBY-KRWDZBQOSA-N 0 3 356.470 3.438 20 30 FGEDHN CCC(C)(C)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000594021665 506889191 /nfs/dbraw/zinc/88/91/91/506889191.db2.gz YKUXPCCIYHQVDG-GOSISDBHSA-N 0 3 356.514 3.128 20 30 FGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](N(C)C)C1 ZINC000609487364 506897328 /nfs/dbraw/zinc/89/73/28/506897328.db2.gz CHIADVJKLMNJRA-LSDHHAIUSA-N 0 3 374.554 3.242 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000609554476 506921284 /nfs/dbraw/zinc/92/12/84/506921284.db2.gz QCHLDKBRFKASFI-OAHLLOKOSA-N 0 3 352.438 3.209 20 30 FGEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000609589603 506934251 /nfs/dbraw/zinc/93/42/51/506934251.db2.gz SSIBJYWKNHGQJD-MJGOQNOKSA-N 0 3 368.868 3.328 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1C ZINC000590756343 506938910 /nfs/dbraw/zinc/93/89/10/506938910.db2.gz QTSHBSSCLLRNPO-WMQCIHAUSA-N 0 3 369.509 3.343 20 30 FGEDHN CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CCN1C ZINC000597429397 506950972 /nfs/dbraw/zinc/95/09/72/506950972.db2.gz ZGAACRQSPKZGAA-IBGZPJMESA-N 0 3 364.497 3.003 20 30 FGEDHN C=C[C@](C)(O)C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000613248322 506993503 /nfs/dbraw/zinc/99/35/03/506993503.db2.gz GAPKWDUBVQNMRC-FPOVZHCZSA-N 0 3 360.498 3.342 20 30 FGEDHN C=CCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000583840799 507003129 /nfs/dbraw/zinc/00/31/29/507003129.db2.gz OYOBBEQEWQVFOQ-HXUWFJFHSA-N 0 3 374.492 3.237 20 30 FGEDHN COC[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000591015701 507078765 /nfs/dbraw/zinc/07/87/65/507078765.db2.gz CPNAOWGXBKZCOF-ZIAGYGMSSA-N 0 3 361.511 3.184 20 30 FGEDHN COc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000591019637 507080726 /nfs/dbraw/zinc/08/07/26/507080726.db2.gz JSWWICBADNLHOM-UHFFFAOYSA-N 0 3 358.829 3.076 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000600733549 507090172 /nfs/dbraw/zinc/09/01/72/507090172.db2.gz KFUFRHLDNLKRAP-DGCLKSJQSA-N 0 3 353.285 3.240 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000594428979 507126947 /nfs/dbraw/zinc/12/69/47/507126947.db2.gz PYEMYPMPNCQOCY-HNNXBMFYSA-N 0 3 364.421 3.362 20 30 FGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000594430656 507129254 /nfs/dbraw/zinc/12/92/54/507129254.db2.gz AKTKEKJJUMRQNL-WFASDCNBSA-N 0 3 357.376 3.216 20 30 FGEDHN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594431927 507129417 /nfs/dbraw/zinc/12/94/17/507129417.db2.gz SROQJNLIUPSSHI-MAUKXSAKSA-N 0 3 370.497 3.217 20 30 FGEDHN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594432067 507129493 /nfs/dbraw/zinc/12/94/93/507129493.db2.gz WJTAMMRHCQQFIX-QGZVFWFLSA-N 0 3 356.470 3.017 20 30 FGEDHN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594430140 507129644 /nfs/dbraw/zinc/12/96/44/507129644.db2.gz ZEOOEYTUKSUUKM-GOSISDBHSA-N 0 3 370.497 3.407 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000594435025 507130651 /nfs/dbraw/zinc/13/06/51/507130651.db2.gz YWQMOYREBNVLNZ-WOJBJXKFSA-N 0 3 351.450 3.334 20 30 FGEDHN CCCc1c(NC(=O)[C@@H](N)CCCCC#N)cnn1-c1cccc(F)c1 ZINC000594443784 507135165 /nfs/dbraw/zinc/13/51/65/507135165.db2.gz UUHVDHAOJJWYPB-INIZCTEOSA-N 0 3 357.433 3.314 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000594445342 507136640 /nfs/dbraw/zinc/13/66/40/507136640.db2.gz DGLKHZMJFLUHKD-MSOLQXFVSA-N 0 3 362.905 3.004 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000597857383 507137405 /nfs/dbraw/zinc/13/74/05/507137405.db2.gz FXDWYNXPVAIZSV-QGZVFWFLSA-N 0 3 364.449 3.348 20 30 FGEDHN CN(C)S(=O)(=O)c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594495044 507153809 /nfs/dbraw/zinc/15/38/09/507153809.db2.gz NJJNZHTZCCTYSV-UHFFFAOYSA-N 0 3 371.506 3.028 20 30 FGEDHN CCOC(=O)c1csc(CCNCc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594504589 507159991 /nfs/dbraw/zinc/15/99/91/507159991.db2.gz PKBWNGPTIPIPAV-UHFFFAOYSA-N 0 3 357.479 3.453 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)C[C@H]1C ZINC000584119917 507163832 /nfs/dbraw/zinc/16/38/32/507163832.db2.gz PJEHECRWJVBORZ-CABCVRRESA-N 0 3 350.470 3.071 20 30 FGEDHN CN(CCNc1c(C#N)cnc2c(F)ccc(F)c21)Cc1ccccc1 ZINC000610275716 507171964 /nfs/dbraw/zinc/17/19/64/507171964.db2.gz RUBAEINBWSGVHO-UHFFFAOYSA-N 0 3 352.388 3.350 20 30 FGEDHN CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCN(C)C1 ZINC000597946644 507193458 /nfs/dbraw/zinc/19/34/58/507193458.db2.gz RGINLXQEUYHMAJ-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CCN(C)C1 ZINC000597947583 507194129 /nfs/dbraw/zinc/19/41/29/507194129.db2.gz ZJOMOVKPHLEKBM-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCCSCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000597972617 507201287 /nfs/dbraw/zinc/20/12/87/507201287.db2.gz NVNUAAOTHASAKJ-UHFFFAOYSA-N 0 3 361.555 3.256 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C3CCC3)C2)cc1 ZINC000591340897 507210131 /nfs/dbraw/zinc/21/01/31/507210131.db2.gz APMUMMNSFXRIJN-ZFWWWQNUSA-N 0 3 361.467 3.026 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000584261612 507241652 /nfs/dbraw/zinc/24/16/52/507241652.db2.gz NCFAATZJAUTIOD-FYYLOGMGSA-N 0 3 361.489 3.426 20 30 FGEDHN COc1cncc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1C ZINC000601130139 507271473 /nfs/dbraw/zinc/27/14/73/507271473.db2.gz FOAPWCXKLZDHRP-UHFFFAOYSA-N 0 3 350.466 3.025 20 30 FGEDHN CC(C)(C)N1CCCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000584331600 507283600 /nfs/dbraw/zinc/28/36/00/507283600.db2.gz YOMAFQCMWWXOAN-UHFFFAOYSA-N 0 3 364.287 3.267 20 30 FGEDHN N#CC1(c2ccc(CNCc3cccc(CN4CCOCC4)c3)cc2)CC1 ZINC000594926145 507316873 /nfs/dbraw/zinc/31/68/73/507316873.db2.gz SPQUXXSPQSQFIQ-UHFFFAOYSA-N 0 3 361.489 3.364 20 30 FGEDHN N#CC1(c2ccc(CNCCNc3ccc(-c4ccccc4)nn3)cc2)CC1 ZINC000594927488 507318198 /nfs/dbraw/zinc/31/81/98/507318198.db2.gz RIKXVLDQBQUMGV-UHFFFAOYSA-N 0 3 369.472 3.322 20 30 FGEDHN CCOc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1Cl ZINC000591765757 507352549 /nfs/dbraw/zinc/35/25/49/507352549.db2.gz FWTPTOVATFFSDK-INIZCTEOSA-N 0 3 360.841 3.140 20 30 FGEDHN C[C@@H](NC[C@H]1CN(C)CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595099857 507391797 /nfs/dbraw/zinc/39/17/97/507391797.db2.gz PEVCIAYGMMHOPP-XLIONFOSSA-N 0 3 366.484 3.164 20 30 FGEDHN Cc1nc2ccc(Br)cc2c(N2CC[C@@](O)(CC#N)C2)c1C ZINC000591974536 507437864 /nfs/dbraw/zinc/43/78/64/507437864.db2.gz JNYUANRTHFMRSY-KRWDZBQOSA-N 0 3 360.255 3.469 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(CC(F)(F)F)c2C)CC1 ZINC000592076610 507476238 /nfs/dbraw/zinc/47/62/38/507476238.db2.gz PTMVMAITTLKYFV-UHFFFAOYSA-N 0 3 357.420 3.438 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000610998354 507477006 /nfs/dbraw/zinc/47/70/06/507477006.db2.gz YGSHWQILNYAOLV-VQTJNVASSA-N 0 3 369.509 3.299 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](c1ccncc1)C1(CO)CCC1 ZINC000598551703 507480697 /nfs/dbraw/zinc/48/06/97/507480697.db2.gz VBIMAITWMKMMHD-VQTJNVASSA-N 0 3 363.461 3.174 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598596189 507512028 /nfs/dbraw/zinc/51/20/28/507512028.db2.gz JEFHDAZJRYDTPM-HRCADAONSA-N 0 3 356.388 3.114 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000611139196 507531772 /nfs/dbraw/zinc/53/17/72/507531772.db2.gz RHNODWBMFRKGJG-UHFFFAOYSA-N 0 3 374.488 3.292 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1OCCCC#N ZINC000611268099 507591608 /nfs/dbraw/zinc/59/16/08/507591608.db2.gz LBKSUJZLFZGDFO-GOSISDBHSA-N 0 3 354.454 3.411 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000592313332 507603482 /nfs/dbraw/zinc/60/34/82/507603482.db2.gz CPJIVZYOQDQTQW-UHFFFAOYSA-N 0 3 362.271 3.311 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000595633830 507603731 /nfs/dbraw/zinc/60/37/31/507603731.db2.gz AMYRKOSYMRRPCE-HDAAZOAOSA-N 0 3 369.509 3.031 20 30 FGEDHN Cc1cc2ncn(C[C@H](O)CNC(C)(C)c3cccc(C#N)c3)c2cc1C ZINC000595634892 507606498 /nfs/dbraw/zinc/60/64/98/507606498.db2.gz HLDNFQLIJSOZMM-LJQANCHMSA-N 0 3 362.477 3.411 20 30 FGEDHN Cc1ccncc1[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000611301581 507611620 /nfs/dbraw/zinc/61/16/20/507611620.db2.gz FSMBVCAQYMACSP-KRWDZBQOSA-N 0 3 365.481 3.096 20 30 FGEDHN N#Cc1ccc(CCNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000595689016 507629630 /nfs/dbraw/zinc/62/96/30/507629630.db2.gz QHIZLBRMRYICJM-FCHUYYIVSA-N 0 3 374.488 3.017 20 30 FGEDHN CN(C)CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)ccn1 ZINC000602224086 507633998 /nfs/dbraw/zinc/63/39/98/507633998.db2.gz CTVYFGXRNSQKQW-UHFFFAOYSA-N 0 3 370.478 3.086 20 30 FGEDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000611386871 507655315 /nfs/dbraw/zinc/65/53/15/507655315.db2.gz WWYLLLKXLAEIDU-ZDUSSCGKSA-N 0 3 368.393 3.154 20 30 FGEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(F)CC1 ZINC000595818296 507698457 /nfs/dbraw/zinc/69/84/57/507698457.db2.gz GXTQXSAWLLROCG-UQPPLGOBSA-N 0 3 369.444 3.189 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ccon3)CC2)cc1Cl ZINC000595829671 507705726 /nfs/dbraw/zinc/70/57/26/507705726.db2.gz YRYGWPBLNGGCDB-UHFFFAOYSA-N 0 3 358.829 3.408 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(COc2ccc(F)cc2)cc1 ZINC000592568653 507707009 /nfs/dbraw/zinc/70/70/09/507707009.db2.gz TZHQWZRQVREDEX-IBGZPJMESA-N 0 3 355.413 3.042 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NC[C@H]3CCOc4ccccc43)C2=O)cc1 ZINC000611509150 507711968 /nfs/dbraw/zinc/71/19/68/507711968.db2.gz KRPZFXQMVHIMPX-YLJYHZDGSA-N 0 3 361.445 3.210 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](C[C@H]4CCOC4)C3)C2=O)cc1 ZINC000611517023 507717251 /nfs/dbraw/zinc/71/72/51/507717251.db2.gz GDXXPFYHJYNBAY-SBHAEUEKSA-N 0 3 367.493 3.192 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](C[C@@H]4CCOC4)C3)C2=O)cc1 ZINC000611517024 507717870 /nfs/dbraw/zinc/71/78/70/507717870.db2.gz GDXXPFYHJYNBAY-ZJOUEHCJSA-N 0 3 367.493 3.192 20 30 FGEDHN COc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccc1OC(F)F ZINC000602501356 507730354 /nfs/dbraw/zinc/73/03/54/507730354.db2.gz GGBWUFKWGCNVGC-ZDUSSCGKSA-N 0 3 354.397 3.485 20 30 FGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611555302 507737420 /nfs/dbraw/zinc/73/74/20/507737420.db2.gz WDUZVJUHIWYZRS-KBMXLJTQSA-N 0 3 356.388 3.155 20 30 FGEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccccc3Br)C2)n1 ZINC000602544820 507744378 /nfs/dbraw/zinc/74/43/78/507744378.db2.gz ACSPJTFZYFPOJH-HNNXBMFYSA-N 0 3 357.255 3.084 20 30 FGEDHN C[C@H](CCC#N)CNCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000602557135 507747891 /nfs/dbraw/zinc/74/78/91/507747891.db2.gz WEXYKKLCNRIVOV-OAHLLOKOSA-N 0 3 373.478 3.307 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)Nc2ccc(C)nc2)[C@@H]1c1cnn(C)c1 ZINC000328619975 521614174 /nfs/dbraw/zinc/61/41/74/521614174.db2.gz GPMUWFPMBBSOTR-QFBILLFUSA-N 0 3 370.501 3.074 20 30 FGEDHN CN1CCC(CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000487028878 561361877 /nfs/dbraw/zinc/36/18/77/561361877.db2.gz GWVVKRXDAVMBHU-UHFFFAOYSA-N 0 3 357.845 3.068 20 30 FGEDHN C=CC(C)(C)CCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000636892166 568180195 /nfs/dbraw/zinc/18/01/95/568180195.db2.gz QZOAUDRWJCLDDO-UHFFFAOYSA-N 0 3 359.514 3.045 20 30 FGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736480164 598680041 /nfs/dbraw/zinc/68/00/41/598680041.db2.gz LJVMHVAYOKKJNH-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736480164 598680044 /nfs/dbraw/zinc/68/00/44/598680044.db2.gz LJVMHVAYOKKJNH-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736480164 598680046 /nfs/dbraw/zinc/68/00/46/598680046.db2.gz LJVMHVAYOKKJNH-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736480164 598680048 /nfs/dbraw/zinc/68/00/48/598680048.db2.gz LJVMHVAYOKKJNH-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCN(Cc1cc(-c2nn[nH]n2)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000825428090 607518646 /nfs/dbraw/zinc/51/86/46/607518646.db2.gz BEPPYYZNADMWSA-AWEZNQCLSA-N 0 3 362.437 3.330 20 30 FGEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCc3noc(C)n3)cc2)n1 ZINC000041517522 695762856 /nfs/dbraw/zinc/76/28/56/695762856.db2.gz GOXGSBHFCPZCAY-AWEZNQCLSA-N 0 3 354.391 3.212 20 30 FGEDHN CCn1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000114618205 700580722 /nfs/dbraw/zinc/58/07/22/700580722.db2.gz XCOLDKUXJQMNCF-ZDUSSCGKSA-N 0 3 351.193 3.171 20 30 FGEDHN N#CC(C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)N1CCCC1 ZINC000124580638 700722133 /nfs/dbraw/zinc/72/21/33/700722133.db2.gz YQFBFYSRMLYEKL-AWEZNQCLSA-N 0 3 373.865 3.337 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSc2ccc(C)cc2)c1 ZINC000127049001 700756612 /nfs/dbraw/zinc/75/66/12/700756612.db2.gz CSJRMOIKDORKOG-KRWDZBQOSA-N 0 3 354.431 3.443 20 30 FGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 ZINC000133402848 700837623 /nfs/dbraw/zinc/83/76/23/700837623.db2.gz OBZRLSSAIXULNM-ZDUSSCGKSA-N 0 3 372.837 3.117 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1sc(CC)nc1C ZINC000140344274 704880521 /nfs/dbraw/zinc/88/05/21/704880521.db2.gz PTMVKTQHXHUEMK-LBPRGKRZSA-N 0 3 357.435 3.374 20 30 FGEDHN CC(C)(C)c1nc(CC(=O)C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000170672588 705356079 /nfs/dbraw/zinc/35/60/79/705356079.db2.gz CTOWLTJUIOQJHY-OAHLLOKOSA-N 0 3 355.463 3.008 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000191367049 712834866 /nfs/dbraw/zinc/83/48/66/712834866.db2.gz SIELGFQCANUIDV-UHFFFAOYSA-N 0 3 350.384 3.214 20 30 FGEDHN C[C@@H](CN1CCOCC1)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374955753 713955834 /nfs/dbraw/zinc/95/58/34/713955834.db2.gz YDZUHVRMXNIPFC-GJZGRUSLSA-N 0 3 356.495 3.053 20 30 FGEDHN Cc1nsc(N2CCN(C[C@H]3CCc4ccccc4C3)CC2)c1C#N ZINC000577665271 714467272 /nfs/dbraw/zinc/46/72/72/714467272.db2.gz KHTGOYJCNGNKPR-INIZCTEOSA-N 0 3 352.507 3.250 20 30 FGEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000774053971 723853635 /nfs/dbraw/zinc/85/36/35/723853635.db2.gz PZSUMCLJJAXSGY-ZDUSSCGKSA-N 0 3 357.797 3.483 20 30 FGEDHN C=CCOCCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000653685811 719076336 /nfs/dbraw/zinc/07/63/36/719076336.db2.gz SSZAWCVLGKGDDU-UHFFFAOYSA-N 0 3 367.877 3.137 20 30 FGEDHN C=CCCn1cc(CNc2cc(CN3CCSCC3)ccc2C)nn1 ZINC000657407156 719642930 /nfs/dbraw/zinc/64/29/30/719642930.db2.gz JSESKYNLPKTCHS-UHFFFAOYSA-N 0 3 357.527 3.324 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2sc(C)cc2Br)CC1 ZINC000660703429 720103477 /nfs/dbraw/zinc/10/34/77/720103477.db2.gz CNBPXRNXKMZTPV-UHFFFAOYSA-N 0 3 372.332 3.269 20 30 FGEDHN C#Cc1cccc(NC(=S)N(CCc2ccccc2)CCN(C)C)c1 ZINC000726466444 722434900 /nfs/dbraw/zinc/43/49/00/722434900.db2.gz VCMJDZIDYUMJKC-UHFFFAOYSA-N 0 3 351.519 3.471 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)C1CCCCC1 ZINC000727838148 722448006 /nfs/dbraw/zinc/44/80/06/722448006.db2.gz CBDUWSWCGUTQRT-QGZVFWFLSA-N 0 3 366.299 3.492 20 30 FGEDHN C[C@@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417591 722468272 /nfs/dbraw/zinc/46/82/72/722468272.db2.gz QMTITBHWQBERFC-BXKDBHETSA-N 0 3 357.366 3.023 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)CCCOc1cccc(Cl)c1Cl ZINC000743449814 722567668 /nfs/dbraw/zinc/56/76/68/722567668.db2.gz VLOHHSNPMXLNEB-NSHDSACASA-N 0 3 355.221 3.163 20 30 FGEDHN CC(C)c1nnc(CCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000747109204 722631738 /nfs/dbraw/zinc/63/17/38/722631738.db2.gz YCLLOIDSKBTAOU-LLVKDONJSA-N 0 3 360.801 3.127 20 30 FGEDHN CN(Cc1cc(Cl)ccc1OCC#N)CC(C)(C)CN1CCOCC1 ZINC000752089524 722845018 /nfs/dbraw/zinc/84/50/18/722845018.db2.gz YPMRVFFOGWWNNE-UHFFFAOYSA-N 0 3 365.905 3.033 20 30 FGEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000756233676 722962035 /nfs/dbraw/zinc/96/20/35/722962035.db2.gz NOCBRZZKQAWAAK-MFKMUULPSA-N 0 3 356.394 3.321 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000763236705 723325030 /nfs/dbraw/zinc/32/50/30/723325030.db2.gz SKZLNFFAJVPXIS-SJORKVTESA-N 0 3 373.250 3.468 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1Cl ZINC000796628940 723647531 /nfs/dbraw/zinc/64/75/31/723647531.db2.gz FRIFQHCZNUZKAF-NQBHXWOUSA-N 0 3 362.813 3.001 20 30 FGEDHN CCCN(Cc1ccccc1O)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000772797646 723768393 /nfs/dbraw/zinc/76/83/93/723768393.db2.gz HUWHETCVXZZLJO-MRXNPFEDSA-N 0 3 355.463 3.343 20 30 FGEDHN C[C@@H](NC(=O)c1ccccc1)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797568511 723835677 /nfs/dbraw/zinc/83/56/77/723835677.db2.gz SIVMQNRADFVEQW-OCCSQVGLSA-N 0 3 355.463 3.435 20 30 FGEDHN CC(C)CN1N=C(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CCC1=O ZINC000797570548 723836462 /nfs/dbraw/zinc/83/64/62/723836462.db2.gz HIFRKLLMPJUYHJ-LBPRGKRZSA-N 0 3 360.483 3.251 20 30 FGEDHN C[C@@H](C#N)OCCN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000801914133 724344744 /nfs/dbraw/zinc/34/47/44/724344744.db2.gz SFXYGQMRJLHCMT-RDJZCZTQSA-N 0 3 351.491 3.027 20 30 FGEDHN CC(C)N1C(=O)C[C@H](NCCO[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801951641 724349698 /nfs/dbraw/zinc/34/96/98/724349698.db2.gz XWMMNESPCOXUAP-PZPSRYQVSA-N 0 3 367.852 3.048 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCCOCC1 ZINC000786302802 724972250 /nfs/dbraw/zinc/97/22/50/724972250.db2.gz CFNWUDPQHFCNAF-RISCZKNCSA-N 0 3 368.405 3.465 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CCCOCC1 ZINC000786311669 724972587 /nfs/dbraw/zinc/97/25/87/724972587.db2.gz LQEKIFPCKHYDCD-QWHCGFSZSA-N 0 3 364.829 3.121 20 30 FGEDHN CC[C@H](NC(=O)C(C#N)C(=O)Cc1nc(C)sc1C)c1ccccc1 ZINC000786511005 724985057 /nfs/dbraw/zinc/98/50/57/724985057.db2.gz IQJSGBMSLAQOFD-HOTGVXAUSA-N 0 3 355.463 3.279 20 30 FGEDHN C=CCCCCCN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000808769918 725216932 /nfs/dbraw/zinc/21/69/32/725216932.db2.gz FBSBHAKLHJIUFY-GOSISDBHSA-N 0 3 351.535 3.360 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3cccc(Br)n3)CC2)cc1 ZINC000809345657 725239468 /nfs/dbraw/zinc/23/94/68/725239468.db2.gz KNOXJFOASXDEBW-UHFFFAOYSA-N 0 3 371.282 3.428 20 30 FGEDHN C#C[C@H](NC1CCN(CCCC(=O)OC)CC1)c1ccc(Cl)cc1F ZINC000812765705 726809331 /nfs/dbraw/zinc/80/93/31/726809331.db2.gz RWDFXJVYTQGTQZ-SFHVURJKSA-N 0 3 366.864 3.161 20 30 FGEDHN CC(C)[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCCO1 ZINC000815318434 727063779 /nfs/dbraw/zinc/06/37/79/727063779.db2.gz OZMWWTZHRFLEGU-PBHICJAKSA-N 0 3 357.479 3.219 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cscc1Br ZINC000815904467 727105987 /nfs/dbraw/zinc/10/59/87/727105987.db2.gz GQDKPHYIRHBOLS-GFCCVEGCSA-N 0 3 371.300 3.458 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000818588772 727315523 /nfs/dbraw/zinc/31/55/23/727315523.db2.gz GKOQKENUOXDRNU-UHFFFAOYSA-N 0 3 353.900 3.210 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000826656821 729411833 /nfs/dbraw/zinc/41/18/33/729411833.db2.gz YYJOZFCKKCNGGO-UHFFFAOYSA-N 0 3 353.253 3.021 20 30 FGEDHN C#C[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)C1CCOCC1 ZINC000827569760 729431921 /nfs/dbraw/zinc/43/19/21/729431921.db2.gz FUWYWUOSHCYGMG-GOSISDBHSA-N 0 3 374.282 3.153 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000834930416 729846616 /nfs/dbraw/zinc/84/66/16/729846616.db2.gz SCRZXNVNXKXPCM-AWEZNQCLSA-N 0 3 360.893 3.100 20 30 FGEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000835062557 729854661 /nfs/dbraw/zinc/85/46/61/729854661.db2.gz CYTQPXPBYTWAEC-SMDDNHRTSA-N 0 3 352.818 3.120 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(=O)C2CC2)cc1Cl ZINC000835065658 729855014 /nfs/dbraw/zinc/85/50/14/729855014.db2.gz POHBHPKMTKPELX-CYBMUJFWSA-N 0 3 362.813 3.145 20 30 FGEDHN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835341326 729880101 /nfs/dbraw/zinc/88/01/01/729880101.db2.gz TYSJEXAOSGYDAB-MNOVXSKESA-N 0 3 362.298 3.268 20 30 FGEDHN C#CCN(C)CCCNC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000840757159 730170190 /nfs/dbraw/zinc/17/01/90/730170190.db2.gz IXJZQPBTXYVEGV-UHFFFAOYSA-N 0 3 361.845 3.183 20 30 FGEDHN Cn1nc(C2CC2)nc1CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000842689468 730531394 /nfs/dbraw/zinc/53/13/94/730531394.db2.gz GZLWNTQSNRGQQY-LLVKDONJSA-N 0 3 371.853 3.375 20 30 FGEDHN CC(C)O[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000844377260 730710176 /nfs/dbraw/zinc/71/01/76/730710176.db2.gz DNPVOKAPQMGROW-HUUCEWRRSA-N 0 3 357.479 3.362 20 30 FGEDHN CCOc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc(Cl)c1O ZINC000846008685 730918075 /nfs/dbraw/zinc/91/80/75/730918075.db2.gz WYVVEAGIYXHNDA-QGZVFWFLSA-N 0 3 360.841 3.481 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930774 731222504 /nfs/dbraw/zinc/22/25/04/731222504.db2.gz WKBOJPTZNWENTB-QGZVFWFLSA-N 0 3 362.901 3.039 20 30 FGEDHN C=CCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOCC1 ZINC000850368434 731349004 /nfs/dbraw/zinc/34/90/04/731349004.db2.gz MTSDJHPACNNJFC-UHFFFAOYSA-N 0 3 356.260 3.378 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731847 731627089 /nfs/dbraw/zinc/62/70/89/731627089.db2.gz MXBDOKIOEQJVDW-MOPGFXCFSA-N 0 3 350.890 3.188 20 30 FGEDHN C=CCn1c(-c2ccc(C)cc2)nn(CN(C)CC2CN(C)C2)c1=S ZINC000853552973 731722075 /nfs/dbraw/zinc/72/20/75/731722075.db2.gz JICMJLHAODTQAH-UHFFFAOYSA-N 0 3 357.527 3.026 20 30 FGEDHN COC1CC(C(=O)C(C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000860693337 732555327 /nfs/dbraw/zinc/55/53/27/732555327.db2.gz GDSDWZDGIBBTMH-SLTDEYSJSA-N 0 3 369.248 3.304 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)[C@@H](C)O1 ZINC000870135748 733815007 /nfs/dbraw/zinc/81/50/07/733815007.db2.gz BZEXVLCCGZUFFW-JYILRKAJSA-N 0 3 368.405 3.462 20 30 FGEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000870174426 733820478 /nfs/dbraw/zinc/82/04/78/733820478.db2.gz SJUABWXMLCEDOT-GWCFXTLKSA-N 0 3 363.389 3.179 20 30 FGEDHN COC[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Br)c1 ZINC000872236258 735606739 /nfs/dbraw/zinc/60/67/39/735606739.db2.gz LODHQFOHKRCQMC-CABCVRRESA-N 0 3 355.276 3.027 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000876649475 736126508 /nfs/dbraw/zinc/12/65/08/736126508.db2.gz XCPDTOFIVLKYLT-LBPRGKRZSA-N 0 3 350.875 3.272 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1OCC(F)(F)F ZINC000876692286 736131971 /nfs/dbraw/zinc/13/19/71/736131971.db2.gz PMCREPFLOQRNDK-GFCCVEGCSA-N 0 3 350.768 3.022 20 30 FGEDHN N#Cc1cnc(Cl)c(CNC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000876945632 736166390 /nfs/dbraw/zinc/16/63/90/736166390.db2.gz HBJBAWWLCCUKHO-UHFFFAOYSA-N 0 3 358.848 3.500 20 30 FGEDHN COc1ccccc1N1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000876988497 736171325 /nfs/dbraw/zinc/17/13/25/736171325.db2.gz IHAVKVDGNOWIQH-UHFFFAOYSA-N 0 3 356.857 3.374 20 30 FGEDHN N#CCOc1ccc(Cl)cc1CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000878873213 736927844 /nfs/dbraw/zinc/92/78/44/736927844.db2.gz IXRXGACPVLVTBZ-ZWKOTPCHSA-N 0 3 364.873 3.042 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC000880027745 737103048 /nfs/dbraw/zinc/10/30/48/737103048.db2.gz WWKZHVPGVSMABK-SYQHCUMBSA-N 0 3 361.408 3.314 20 30 FGEDHN CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884054167 737628734 /nfs/dbraw/zinc/62/87/34/737628734.db2.gz TYVYXNXPEUESGQ-JZLYGMAVSA-N 0 3 352.265 3.091 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(C3SCCS3)c1)C2 ZINC000884060170 737629857 /nfs/dbraw/zinc/62/98/57/737629857.db2.gz QURHZSSRHKIJED-FVRSWCFKSA-N 0 3 359.520 3.243 20 30 FGEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1c(Cl)cccc1Cl ZINC000884120130 737635497 /nfs/dbraw/zinc/63/54/97/737635497.db2.gz FJJRCOAEEGSWQV-LLFUWHRMSA-N 0 3 366.292 3.352 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(SC)c(C#N)c2)CC1 ZINC000884131319 737636528 /nfs/dbraw/zinc/63/65/28/737636528.db2.gz IJIDJCWLIXDNIP-UHFFFAOYSA-N 0 3 358.511 3.120 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCCc1ccc(Cl)cc1Cl)C2 ZINC000884164780 737639660 /nfs/dbraw/zinc/63/96/60/737639660.db2.gz PYKRPBWYBCTNIB-TXKKKEFDSA-N 0 3 366.292 3.182 20 30 FGEDHN Cc1cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc(C)c1Br ZINC000884322498 737655308 /nfs/dbraw/zinc/65/53/08/737655308.db2.gz OKFGWPGURUALRW-JZLYGMAVSA-N 0 3 362.271 3.144 20 30 FGEDHN C=CCC1(O)CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000886757619 739292653 /nfs/dbraw/zinc/29/26/53/739292653.db2.gz MGYCJVMWUPUFKT-CQSZACIVSA-N 0 3 360.281 3.136 20 30 FGEDHN C#CCC1(NCc2ccc(OC)c(OC)c2Br)CCOCC1 ZINC000887124770 739331397 /nfs/dbraw/zinc/33/13/97/739331397.db2.gz SNGWKNIKIMUPBC-UHFFFAOYSA-N 0 3 368.271 3.128 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1sc(C)nc1C ZINC000892497636 740007430 /nfs/dbraw/zinc/00/74/30/740007430.db2.gz UABZZZMFKGQFAL-CYBMUJFWSA-N 0 3 357.435 3.049 20 30 FGEDHN N#Cc1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cs1 ZINC000895152022 742382149 /nfs/dbraw/zinc/38/21/49/742382149.db2.gz KXONCBSSPNXXKY-VQTJNVASSA-N 0 3 353.491 3.095 20 30 FGEDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCc1nc(C#N)cs1 ZINC000897628763 742697128 /nfs/dbraw/zinc/69/71/28/742697128.db2.gz BTGYANPWQOEDRZ-GXTWGEPZSA-N 0 3 350.488 3.140 20 30 FGEDHN CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(C#N)c1 ZINC000902764363 743773639 /nfs/dbraw/zinc/77/36/39/743773639.db2.gz CQUDLUQKGDRXAY-KUHUBIRLSA-N 0 3 357.479 3.268 20 30 FGEDHN CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(C#N)c1 ZINC000902764362 743773718 /nfs/dbraw/zinc/77/37/18/743773718.db2.gz CQUDLUQKGDRXAY-IFXJQAMLSA-N 0 3 357.479 3.268 20 30 FGEDHN C[C@@H](NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C#N)ccn1 ZINC000902782692 743774829 /nfs/dbraw/zinc/77/48/29/743774829.db2.gz MUCVIALYHLTQPQ-BZNIZROVSA-N 0 3 351.328 3.236 20 30 FGEDHN C[C@@H](NC[C@@H]1CSCCN1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902972133 743794692 /nfs/dbraw/zinc/79/46/92/743794692.db2.gz ABKONHJWQDHBEB-VQIMIIECSA-N 0 3 352.507 3.221 20 30 FGEDHN C#CCN(C(=O)c1cc(Cl)ccc1OC(F)F)C1CCN(C)CC1 ZINC000906452544 744133681 /nfs/dbraw/zinc/13/36/81/744133681.db2.gz VKTJULRIOBDLJI-UHFFFAOYSA-N 0 3 356.800 3.111 20 30 FGEDHN C#CCN1CCC(Nc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000912341440 757311810 /nfs/dbraw/zinc/31/18/10/757311810.db2.gz KPPMUZDZQIVCCS-UHFFFAOYSA-N 0 3 361.243 3.009 20 30 FGEDHN C#CCN(C(=O)N[C@H]1CCSc2c(F)cccc21)C1CCN(C)CC1 ZINC000914139218 757704202 /nfs/dbraw/zinc/70/42/02/757704202.db2.gz PDUJFOAVCKEXGC-KRWDZBQOSA-N 0 3 361.486 3.102 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000916917560 758153868 /nfs/dbraw/zinc/15/38/68/758153868.db2.gz LJFWRJDIRXPQFN-QMMMGPOBSA-N 0 3 361.612 3.037 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC[C@H](O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000930355725 760586264 /nfs/dbraw/zinc/58/62/64/760586264.db2.gz VPNRFZPDUZXCPM-COXVUDFISA-N 0 3 353.869 3.257 20 30 FGEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001001348426 765281309 /nfs/dbraw/zinc/28/13/09/765281309.db2.gz UORAXHZUJVMEME-LSDHHAIUSA-N 0 3 350.384 3.142 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCCN2CC(=C)Cl)CC1 ZINC001004437097 765431600 /nfs/dbraw/zinc/43/16/00/765431600.db2.gz JEVOGXWUTDMFCV-QYZOEREBSA-N 0 3 366.933 3.423 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001004467700 765432780 /nfs/dbraw/zinc/43/27/80/765432780.db2.gz ZSGRLAJTGZETPP-NXHRZFHOSA-N 0 3 354.922 3.257 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001008810306 765706952 /nfs/dbraw/zinc/70/69/52/765706952.db2.gz LQHSMRMNKSMZSL-WDSOQIARSA-N 0 3 362.539 3.243 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001015819395 765807964 /nfs/dbraw/zinc/80/79/64/765807964.db2.gz GZBLOFCMEXSDES-FHWLQOOXSA-N 0 3 362.539 3.427 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001022091884 765972508 /nfs/dbraw/zinc/97/25/08/765972508.db2.gz NCQDVVBLGJIGPY-NXOAAHMSSA-N 0 3 363.299 3.326 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2ccccc2Cl)C1 ZINC001029845905 766155869 /nfs/dbraw/zinc/15/58/69/766155869.db2.gz SFOMZGARQFDCEF-WDYCEAGBSA-N 0 3 362.901 3.211 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001034941987 766250652 /nfs/dbraw/zinc/25/06/52/766250652.db2.gz SZSQYGRLFBUWAT-LMMKCTJWSA-N 0 3 362.901 3.402 20 30 FGEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001045614113 766559023 /nfs/dbraw/zinc/55/90/23/766559023.db2.gz ZACSPAPUVXGALZ-UONOGXRCSA-N 0 3 352.400 3.364 20 30 FGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C2 ZINC001054147759 766999058 /nfs/dbraw/zinc/99/90/58/766999058.db2.gz XJTCDKCQERRASF-NUJGCVRESA-N 0 3 356.432 3.303 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](n3cccn3)C2)cc1Cl ZINC000102409826 257350387 /nfs/dbraw/zinc/35/03/87/257350387.db2.gz YJPZZRUQPMSYFH-MRXNPFEDSA-N 0 3 357.845 3.074 20 30 FGEDHN N#Cc1cccc(NC(=O)CN[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000290130995 257377815 /nfs/dbraw/zinc/37/78/15/257377815.db2.gz LUJKVCBKNXKEGH-OAQYLSRUSA-N 0 3 361.445 3.181 20 30 FGEDHN C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)N1[C@H](C)CC[C@@H]1C ZINC000591183453 507146370 /nfs/dbraw/zinc/14/63/70/507146370.db2.gz ZAKGYNBKYLFFGH-ZWUHOBOKSA-N 0 3 364.287 3.391 20 30 FGEDHN CC(C)(C)OCc1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000579703166 505604505 /nfs/dbraw/zinc/60/45/05/505604505.db2.gz CIDBQPNFYUGXGQ-HXUWFJFHSA-N 0 3 368.477 3.403 20 30 FGEDHN N#Cc1c2c(cnc1N1CCN(c3ccnc4ccccc43)CC1)CCC2 ZINC000579722275 505608912 /nfs/dbraw/zinc/60/89/12/505608912.db2.gz UWOLRACAPHAUAR-UHFFFAOYSA-N 0 3 355.445 3.317 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(C#N)cs2)N(C)C)cc1 ZINC000579752312 505613181 /nfs/dbraw/zinc/61/31/81/505613181.db2.gz OCUSYNHEYSFGFV-QGZVFWFLSA-N 0 3 357.479 3.440 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000573765537 505613521 /nfs/dbraw/zinc/61/35/21/505613521.db2.gz HAPNMYGKSOLLEI-HYEYJGRESA-N 0 3 361.873 3.332 20 30 FGEDHN CC(C)[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000570956217 505620831 /nfs/dbraw/zinc/62/08/31/505620831.db2.gz YCLNEGPOZROLIM-IAGOWNOFSA-N 0 3 357.420 3.198 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000568130956 505623979 /nfs/dbraw/zinc/62/39/79/505623979.db2.gz HKIPXIHFDHIUQO-SFHVURJKSA-N 0 3 365.905 3.367 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000571157503 505667564 /nfs/dbraw/zinc/66/75/64/505667564.db2.gz CKYXOSABAOGOJG-HSALFYBXSA-N 0 3 371.452 3.448 20 30 FGEDHN N#Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000047951170 493766368 /nfs/dbraw/zinc/76/63/68/493766368.db2.gz WYCHSSPWGCCVRA-KRWDZBQOSA-N 0 3 354.479 3.256 20 30 FGEDHN CN(Cc1cn2ccccc2c1C#N)C1CCN(CCc2ccccn2)CC1 ZINC000080969083 493804127 /nfs/dbraw/zinc/80/41/27/493804127.db2.gz LHBCATFIEGWYAW-UHFFFAOYSA-N 0 3 373.504 3.345 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000028922081 493808585 /nfs/dbraw/zinc/80/85/85/493808585.db2.gz QNXFQJYDSPREBJ-HIFRSBDPSA-N 0 3 362.376 3.250 20 30 FGEDHN C#Cc1cccc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000068555892 493840812 /nfs/dbraw/zinc/84/08/12/493840812.db2.gz NJNHBLAAPIYCGA-IRXDYDNUSA-N 0 3 355.482 3.021 20 30 FGEDHN COCCN(CCC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000058398313 493848641 /nfs/dbraw/zinc/84/86/41/493848641.db2.gz GGRJHUPJJMGRNS-UHFFFAOYSA-N 0 3 355.413 3.175 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(C#N)c1 ZINC000050076369 493895421 /nfs/dbraw/zinc/89/54/21/493895421.db2.gz IPNNRZBNSJADGD-HXUWFJFHSA-N 0 3 363.465 3.472 20 30 FGEDHN CCCN(CCN(C)C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076486624 493903584 /nfs/dbraw/zinc/90/35/84/493903584.db2.gz LFHDUCYXIMJACJ-UHFFFAOYSA-N 0 3 355.438 3.144 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cccc4c3OCCO4)C2)c(F)c1 ZINC000068991232 493903946 /nfs/dbraw/zinc/90/39/46/493903946.db2.gz KSPQXCOPVHYCEI-QGZVFWFLSA-N 0 3 367.424 3.227 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000076512849 493912140 /nfs/dbraw/zinc/91/21/40/493912140.db2.gz SLUIAHFYNFMJBL-UHFFFAOYSA-N 0 3 363.461 3.059 20 30 FGEDHN COc1ccccc1OCCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000051181037 493953071 /nfs/dbraw/zinc/95/30/71/493953071.db2.gz ZCLMKTVKBMZBTA-UHFFFAOYSA-N 0 3 365.477 3.154 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000069329833 493957402 /nfs/dbraw/zinc/95/74/02/493957402.db2.gz TYZFBZQOZCCMGG-UHFFFAOYSA-N 0 3 372.472 3.368 20 30 FGEDHN Cc1ccccc1OCCCN(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000051472911 493972246 /nfs/dbraw/zinc/97/22/46/493972246.db2.gz VDZASJATVDDPMR-IBGZPJMESA-N 0 3 354.450 3.007 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000083030953 493991996 /nfs/dbraw/zinc/99/19/96/493991996.db2.gz GWANJRYWELJKTN-QGZVFWFLSA-N 0 3 369.490 3.301 20 30 FGEDHN CCCN(CC(=O)N(CCC#N)c1ccccc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077322625 494057930 /nfs/dbraw/zinc/05/79/30/494057930.db2.gz LZCPXJMYGRVUEE-TYPHKJRUSA-N 0 3 369.509 3.459 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000063774605 494086406 /nfs/dbraw/zinc/08/64/06/494086406.db2.gz AQUXLIFJZHOIHY-HNNXBMFYSA-N 0 3 351.450 3.461 20 30 FGEDHN COc1ccc(CN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C2CC2)cc1 ZINC000053098338 494093562 /nfs/dbraw/zinc/09/35/62/494093562.db2.gz NTIGTMHDHMNACY-BTYIYWSLSA-N 0 3 355.482 3.104 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C#N)cc1 ZINC000077533442 494106708 /nfs/dbraw/zinc/10/67/08/494106708.db2.gz XLMAPUGJESGDCI-GOSISDBHSA-N 0 3 362.477 3.364 20 30 FGEDHN COc1ccc(CCC2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000053847424 494172147 /nfs/dbraw/zinc/17/21/47/494172147.db2.gz UHYOPBVIYBGPEO-QGZVFWFLSA-N 0 3 357.498 3.100 20 30 FGEDHN CCSc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccn1 ZINC000065930225 494257133 /nfs/dbraw/zinc/25/71/33/494257133.db2.gz GELVLBDGTRAMLO-UHFFFAOYSA-N 0 3 368.506 3.269 20 30 FGEDHN COc1ccccc1CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930109 494257389 /nfs/dbraw/zinc/25/73/89/494257389.db2.gz RZEORQANAQWHPZ-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000066434500 494334404 /nfs/dbraw/zinc/33/44/04/494334404.db2.gz PWVBVAVPZXCYAJ-LJQANCHMSA-N 0 3 369.421 3.117 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nc(C3CC3)nc2SC)CC1 ZINC000073436892 494370482 /nfs/dbraw/zinc/37/04/82/494370482.db2.gz XYNNXWOJWQYOHB-UHFFFAOYSA-N 0 3 360.527 3.155 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 ZINC000066683008 494382994 /nfs/dbraw/zinc/38/29/94/494382994.db2.gz LACBKBLEFPMGLF-UHFFFAOYSA-N 0 3 372.513 3.295 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-c2nnc(C)o2)cc1)C(C)C ZINC000073640577 494405345 /nfs/dbraw/zinc/40/53/45/494405345.db2.gz MCLAYRJROPECLZ-IBGZPJMESA-N 0 3 368.481 3.473 20 30 FGEDHN C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1cccc(C#N)c1 ZINC000073793634 494430080 /nfs/dbraw/zinc/43/00/80/494430080.db2.gz RRXOANKWVGWEKW-OXJNMPFZSA-N 0 3 350.466 3.091 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000074208276 494497351 /nfs/dbraw/zinc/49/73/51/494497351.db2.gz RFHLRGPYZDEPOI-LJQANCHMSA-N 0 3 370.541 3.138 20 30 FGEDHN COC1CCN(CCNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000079684984 494506816 /nfs/dbraw/zinc/50/68/16/494506816.db2.gz MAKYQLBGKNRMJN-UHFFFAOYSA-N 0 3 363.461 3.066 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000067320022 494514723 /nfs/dbraw/zinc/51/47/23/494514723.db2.gz WQOUVEZSRAJMLV-UHFFFAOYSA-N 0 3 352.438 3.391 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000056554826 494525855 /nfs/dbraw/zinc/52/58/55/494525855.db2.gz USPFKNQCLQLTPR-SFHVURJKSA-N 0 3 364.449 3.353 20 30 FGEDHN COc1ccc(C)cc1[C@@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000024099492 494605843 /nfs/dbraw/zinc/60/58/43/494605843.db2.gz DOANMJGCCFTNPN-AEFFLSMTSA-N 0 3 354.450 3.160 20 30 FGEDHN N#Cc1cccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000116224758 494736267 /nfs/dbraw/zinc/73/62/67/494736267.db2.gz FYNWPFWNMCEOTP-GOSISDBHSA-N 0 3 368.506 3.331 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000092794515 494751922 /nfs/dbraw/zinc/75/19/22/494751922.db2.gz AWUHEBSNUDKZJE-MRXNPFEDSA-N 0 3 364.287 3.348 20 30 FGEDHN C[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)N1CCCCCC1 ZINC000092035900 494763842 /nfs/dbraw/zinc/76/38/42/494763842.db2.gz ODLYWFHQBNKPBJ-IVMQYODDSA-N 0 3 370.497 3.024 20 30 FGEDHN N#Cc1ccc2nc(N3CC[C@H](OCCN4CCCCC4)C3)ccc2c1 ZINC000092923549 494787703 /nfs/dbraw/zinc/78/77/03/494787703.db2.gz RNKCGLCNJPSIPU-IBGZPJMESA-N 0 3 350.466 3.188 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@H](n3cccn3)C2)c(-c2ccccc2)n1 ZINC000092967155 494797033 /nfs/dbraw/zinc/79/70/33/494797033.db2.gz RSGNFZOQHIXGRP-HXUWFJFHSA-N 0 3 360.465 3.497 20 30 FGEDHN CC(C)(C)CCN1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075644573 494808915 /nfs/dbraw/zinc/80/89/15/494808915.db2.gz CNPJBIPNIJUNNA-UHFFFAOYSA-N 0 3 353.470 3.162 20 30 FGEDHN CCN1CCN(c2ccccc2CN(CCC#N)Cc2ccccn2)CC1 ZINC000093100625 494826273 /nfs/dbraw/zinc/82/62/73/494826273.db2.gz DHZJTZXIXUCBDS-UHFFFAOYSA-N 0 3 363.509 3.139 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccn(CCN(C)C)n1 ZINC000568647587 505745009 /nfs/dbraw/zinc/74/50/09/505745009.db2.gz TWXCWDWSSNIYHO-AWEZNQCLSA-N 0 3 357.483 3.091 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000577531927 505746041 /nfs/dbraw/zinc/74/60/41/505746041.db2.gz AREWJJHPTZWNBZ-YWZLYKJASA-N 0 3 351.425 3.019 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](CCNC(C)=O)C2)ccc1OC ZINC000574320126 505746343 /nfs/dbraw/zinc/74/63/43/505746343.db2.gz PTDCJCBBMYVYET-SFHVURJKSA-N 0 3 360.498 3.388 20 30 FGEDHN Cc1ccc(OC2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000116882879 494866181 /nfs/dbraw/zinc/86/61/81/494866181.db2.gz NBQUZNLJLQCCCM-LJQANCHMSA-N 0 3 366.461 3.150 20 30 FGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](N(C)C)C1 ZINC000109804668 494920376 /nfs/dbraw/zinc/92/03/76/494920376.db2.gz CHIADVJKLMNJRA-GJZGRUSLSA-N 0 3 374.554 3.242 20 30 FGEDHN N#CCOc1ccc(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000110197288 494956689 /nfs/dbraw/zinc/95/66/89/494956689.db2.gz ORAZVOUOOJLHOG-NRFANRHFSA-N 0 3 363.461 3.085 20 30 FGEDHN N#Cc1ccc2ncc(CNCc3ccc(OCC(F)(F)F)cc3)n2c1 ZINC000123211742 495097510 /nfs/dbraw/zinc/09/75/10/495097510.db2.gz CNRXGWICHRZINJ-UHFFFAOYSA-N 0 3 360.339 3.437 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc3ccc(OC)cc32)CC1 ZINC000119279935 495132856 /nfs/dbraw/zinc/13/28/56/495132856.db2.gz RGJHAJDJWHQPTG-UHFFFAOYSA-N 0 3 353.466 3.322 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2COC2CCOCC2)CC1 ZINC000123682202 495170627 /nfs/dbraw/zinc/17/06/27/495170627.db2.gz AIVOUADYUXOOPM-UHFFFAOYSA-N 0 3 372.509 3.153 20 30 FGEDHN CN(C(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000135045320 495243302 /nfs/dbraw/zinc/24/33/02/495243302.db2.gz RMHPLJPMOCATTP-UHFFFAOYSA-N 0 3 363.461 3.455 20 30 FGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000113328888 495296912 /nfs/dbraw/zinc/29/69/12/495296912.db2.gz NKDRDVWHLVZRPQ-SFHVURJKSA-N 0 3 350.462 3.386 20 30 FGEDHN C=CCOc1ccccc1CNc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000124634568 495320427 /nfs/dbraw/zinc/32/04/27/495320427.db2.gz NNNMXXWRZMTEGZ-UHFFFAOYSA-N 0 3 367.449 3.333 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000577697769 505776832 /nfs/dbraw/zinc/77/68/32/505776832.db2.gz QVIWDHVCEHBSHI-AFAVFJNCSA-N 0 3 373.522 3.373 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000571636083 505779791 /nfs/dbraw/zinc/77/97/91/505779791.db2.gz BVKIHINTRLEWSR-OXFYSEKESA-N 0 3 374.843 3.431 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000106252912 495440263 /nfs/dbraw/zinc/44/02/63/495440263.db2.gz VDLGTBMJOOJRPW-UHFFFAOYSA-N 0 3 368.485 3.046 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000106274937 495441991 /nfs/dbraw/zinc/44/19/91/495441991.db2.gz ZYCFBQBCFLZXOS-FXAWDEMLSA-N 0 3 357.498 3.199 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ccc(C)n3C)n2)CC1 ZINC000130890242 495462634 /nfs/dbraw/zinc/46/26/34/495462634.db2.gz JDENBKKHRFPONQ-UHFFFAOYSA-N 0 3 358.511 3.227 20 30 FGEDHN CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CCN(C)CC1 ZINC000115314736 495489443 /nfs/dbraw/zinc/48/94/43/495489443.db2.gz QHBJODOHNIEVBL-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCCCC1 ZINC000182680430 495662084 /nfs/dbraw/zinc/66/20/84/495662084.db2.gz OGQNKOHNYCNRAT-GOSISDBHSA-N 0 3 374.554 3.112 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574540860 505797226 /nfs/dbraw/zinc/79/72/26/505797226.db2.gz UARCEZKEEMKLBR-IDZYALCFSA-N 0 3 359.473 3.298 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C#N)[nH]1 ZINC000159292925 495703618 /nfs/dbraw/zinc/70/36/18/495703618.db2.gz QZVWUFNYZHWBQN-LJQANCHMSA-N 0 3 350.466 3.089 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000173900977 495739429 /nfs/dbraw/zinc/73/94/29/495739429.db2.gz SCENAYDWCGASLY-LBPRGKRZSA-N 0 3 374.322 3.399 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)C1CCOCC1 ZINC000179845708 495756786 /nfs/dbraw/zinc/75/67/86/495756786.db2.gz GISFXCUJASBHPE-HUUCEWRRSA-N 0 3 361.511 3.424 20 30 FGEDHN Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)c(OCCN(C)C)c1 ZINC000151334419 495807952 /nfs/dbraw/zinc/80/79/52/495807952.db2.gz BXVWEQAXKLRTBB-UHFFFAOYSA-N 0 3 351.450 3.378 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccccc1 ZINC000180050643 495837743 /nfs/dbraw/zinc/83/77/43/495837743.db2.gz JZDNCHBWWYSFRN-LJQANCHMSA-N 0 3 358.482 3.085 20 30 FGEDHN C=C(C)COCCNC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000151501297 495858755 /nfs/dbraw/zinc/85/87/55/495858755.db2.gz ZJDZWDBXZVBMPA-ICSRJNTNSA-N 0 3 359.514 3.446 20 30 FGEDHN CN(CCN(Cc1ccccc1)c1ccc(C#N)nn1)Cc1ccccc1 ZINC000160514128 495981400 /nfs/dbraw/zinc/98/14/00/495981400.db2.gz RWOFHQAQBVTGTI-UHFFFAOYSA-N 0 3 357.461 3.487 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2cccc3ccccc32)CC1 ZINC000171719931 496006303 /nfs/dbraw/zinc/00/63/03/496006303.db2.gz YRWHNQKINQJUAJ-UHFFFAOYSA-N 0 3 353.466 3.168 20 30 FGEDHN C=CCN1CCC(NC(=O)COc2ccccc2Cc2ccccc2)CC1 ZINC000171727446 496009840 /nfs/dbraw/zinc/00/98/40/496009840.db2.gz MRFNOXDLENWLCW-UHFFFAOYSA-N 0 3 364.489 3.423 20 30 FGEDHN C[C@@H]1CCCN(C(=O)C2CCN(CCCOc3cccc(C#N)c3)CC2)C1 ZINC000155602591 496010082 /nfs/dbraw/zinc/01/00/82/496010082.db2.gz GHSLJGGYULDZMY-GOSISDBHSA-N 0 3 369.509 3.298 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Oc3ccccc3)nc2)CC1 ZINC000171730280 496011424 /nfs/dbraw/zinc/01/14/24/496011424.db2.gz MWFXCTBBMBPYPK-UHFFFAOYSA-N 0 3 366.465 3.324 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000171737654 496014862 /nfs/dbraw/zinc/01/48/62/496014862.db2.gz ZFTFRFSDLNVGOD-UHFFFAOYSA-N 0 3 355.404 3.497 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000171741472 496016360 /nfs/dbraw/zinc/01/63/60/496016360.db2.gz KIFUSWDRWZQYSF-UHFFFAOYSA-N 0 3 370.541 3.469 20 30 FGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000574635739 505820838 /nfs/dbraw/zinc/82/08/38/505820838.db2.gz UQNWXNLRVOTEJR-IBGZPJMESA-N 0 3 354.498 3.353 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(CCOCc4ccccc4)CC3)cnc12 ZINC000574638409 505821189 /nfs/dbraw/zinc/82/11/89/505821189.db2.gz RLVKEHUHPDFOGK-UHFFFAOYSA-N 0 3 361.449 3.078 20 30 FGEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000180624558 496073727 /nfs/dbraw/zinc/07/37/27/496073727.db2.gz XSBGHDVGBJABDO-RDJZCZTQSA-N 0 3 371.481 3.230 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000183680851 496076752 /nfs/dbraw/zinc/07/67/52/496076752.db2.gz XKWGHBFNDFQYQH-RHSMWYFYSA-N 0 3 363.527 3.406 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000160977257 496078675 /nfs/dbraw/zinc/07/86/75/496078675.db2.gz LJPLXNOOPMQVJV-UHFFFAOYSA-N 0 3 357.198 3.011 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177567142 496114383 /nfs/dbraw/zinc/11/43/83/496114383.db2.gz KFYSMBUDIZQMEW-OKZBNKHCSA-N 0 3 355.482 3.452 20 30 FGEDHN CCOC(=O)c1ccc(N2CCCN(CCCC(C)(C)C#N)CC2)nc1 ZINC000174837513 496127320 /nfs/dbraw/zinc/12/73/20/496127320.db2.gz TZWYUYOTTYDMIK-UHFFFAOYSA-N 0 3 358.486 3.100 20 30 FGEDHN N#Cc1csc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000177692694 496161943 /nfs/dbraw/zinc/16/19/43/496161943.db2.gz NXAHNDLXBAXPGZ-SFHVURJKSA-N 0 3 361.898 3.436 20 30 FGEDHN CN(CC(=O)Nc1sccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174950482 496178785 /nfs/dbraw/zinc/17/87/85/496178785.db2.gz BDTHSDVABARZMK-SFHVURJKSA-N 0 3 368.506 3.155 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000172204917 496208906 /nfs/dbraw/zinc/20/89/06/496208906.db2.gz BQTOJEBILYNBOS-LJQANCHMSA-N 0 3 366.440 3.161 20 30 FGEDHN COc1ccc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC000161655526 496214963 /nfs/dbraw/zinc/21/49/63/496214963.db2.gz MWEIEWILLHIPFN-CQSZACIVSA-N 0 3 354.429 3.421 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186970287 496234286 /nfs/dbraw/zinc/23/42/86/496234286.db2.gz SNZDLPBEKVCMAR-INIZCTEOSA-N 0 3 374.554 3.435 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177916294 496250647 /nfs/dbraw/zinc/25/06/47/496250647.db2.gz JETOIOMXAWSCPE-GASCZTMLSA-N 0 3 374.460 3.050 20 30 FGEDHN CCC(CC)n1nc(C)cc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000181055330 496254631 /nfs/dbraw/zinc/25/46/31/496254631.db2.gz GFXGBRVMYQMBED-OAHLLOKOSA-N 0 3 354.458 3.361 20 30 FGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000181093663 496267987 /nfs/dbraw/zinc/26/79/87/496267987.db2.gz FUPPCICZHNJHOE-ICSRJNTNSA-N 0 3 352.482 3.447 20 30 FGEDHN O[C@H](CNCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000574684664 505831123 /nfs/dbraw/zinc/83/11/23/505831123.db2.gz QNBFTUHJEUEDAD-SFHVURJKSA-N 0 3 351.343 3.389 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000187115846 496300089 /nfs/dbraw/zinc/30/00/89/496300089.db2.gz AEPVOIMVWGGDSC-NQIIRXRSSA-N 0 3 372.509 3.320 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000162604721 496381303 /nfs/dbraw/zinc/38/13/03/496381303.db2.gz LATHNCFVZDPXOB-UHFFFAOYSA-N 0 3 361.449 3.220 20 30 FGEDHN C=C(C)[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccc(F)c(F)c1 ZINC000187345275 496401780 /nfs/dbraw/zinc/40/17/80/496401780.db2.gz QETQKYFZQWDQGU-KRWDZBQOSA-N 0 3 363.412 3.162 20 30 FGEDHN CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CCCN(C)C1 ZINC000153548029 496493542 /nfs/dbraw/zinc/49/35/42/496493542.db2.gz BHWHHNOCMMZOMD-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](c3cccnc3)C2)cc1Cl ZINC000580831935 505848464 /nfs/dbraw/zinc/84/84/64/505848464.db2.gz KTTIYTKQWKORKE-INIZCTEOSA-N 0 3 354.841 3.425 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CC)Oc2ccccc2F)CC1 ZINC000175739868 496523455 /nfs/dbraw/zinc/52/34/55/496523455.db2.gz LLGWOVUFCUOLEL-QGZVFWFLSA-N 0 3 363.477 3.323 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000178669586 496533932 /nfs/dbraw/zinc/53/39/32/496533932.db2.gz QGMNYNHCFAXKOG-RTBURBONSA-N 0 3 363.546 3.406 20 30 FGEDHN N#CCCCOc1cccc(CN2CCCN(c3ccccn3)CC2)c1 ZINC000184803452 496538233 /nfs/dbraw/zinc/53/82/33/496538233.db2.gz AZYNUVDVBNOYRD-UHFFFAOYSA-N 0 3 350.466 3.476 20 30 FGEDHN Cc1cnc(CCN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000157787574 496555127 /nfs/dbraw/zinc/55/51/27/496555127.db2.gz JWBJCSCRXLNUNL-UHFFFAOYSA-N 0 3 362.886 3.480 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(Nc3ccc(OC)cc3)n2)CC1 ZINC000173160841 496575427 /nfs/dbraw/zinc/57/54/27/496575427.db2.gz RHRPBNUKYUHAAQ-UHFFFAOYSA-N 0 3 372.494 3.276 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2c[nH]c3cccc(OCC)c23)CC1 ZINC000187800497 496577535 /nfs/dbraw/zinc/57/75/35/496577535.db2.gz QHQMMRNRORKVRT-UHFFFAOYSA-N 0 3 355.482 3.266 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)Nc2ccn(CCC#N)n2)N2CCCC2)cc1 ZINC000173342996 496650113 /nfs/dbraw/zinc/65/01/13/496650113.db2.gz KPAREQMXDSHMQW-SFHVURJKSA-N 0 3 366.469 3.064 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)c1ccsc1 ZINC000173348910 496654582 /nfs/dbraw/zinc/65/45/82/496654582.db2.gz YTZJQJCTACUOJJ-OAHLLOKOSA-N 0 3 360.487 3.063 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@]2(CO)CC[C@H](C)C2)c1C ZINC000188025417 496655910 /nfs/dbraw/zinc/65/59/10/496655910.db2.gz WOICGBUKXOFVQB-KKSFZXQISA-N 0 3 357.498 3.033 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000188056489 496665867 /nfs/dbraw/zinc/66/58/67/496665867.db2.gz JMSFUNZQUIFUGA-WMZOPIPTSA-N 0 3 371.525 3.418 20 30 FGEDHN Cn1cc(CN2CCC[C@@H](Cc3nccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000182093321 496666390 /nfs/dbraw/zinc/66/63/90/496666390.db2.gz TUWXMSDKMUCSHN-SFHVURJKSA-N 0 3 374.492 3.147 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000185204679 496702463 /nfs/dbraw/zinc/70/24/63/496702463.db2.gz LHUSDOWUXPBYBD-FQEVSTJZSA-N 0 3 357.542 3.303 20 30 FGEDHN CN(C(=O)Nc1cccc(OCC#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268560961 496736542 /nfs/dbraw/zinc/73/65/42/496736542.db2.gz PEUMQRVRTNTEBB-LJQANCHMSA-N 0 3 364.449 3.327 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]12 ZINC000273283570 496763063 /nfs/dbraw/zinc/76/30/63/496763063.db2.gz HHXXKLWYBVJUMZ-BHIYHBOVSA-N 0 3 371.481 3.324 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1COc2ccccc21)C(C)C ZINC000569166991 505867106 /nfs/dbraw/zinc/86/71/06/505867106.db2.gz YNDWLIYYELHAPS-PKOBYXMFSA-N 0 3 357.498 3.160 20 30 FGEDHN N#CC(CCN1CCC2(CNC(=O)C2)CC1)(c1ccccc1)c1ccccc1 ZINC000277573035 496817196 /nfs/dbraw/zinc/81/71/96/496817196.db2.gz BNXWXFOFNULURB-UHFFFAOYSA-N 0 3 373.500 3.488 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(C#N)cc1 ZINC000195233825 496856464 /nfs/dbraw/zinc/85/64/64/496856464.db2.gz BPSSZHDVPFNPMB-OAQYLSRUSA-N 0 3 362.477 3.009 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264554032 496928041 /nfs/dbraw/zinc/92/80/41/496928041.db2.gz DFVYWCJEWWTOJX-CTNGQTDRSA-N 0 3 368.525 3.190 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CC[C@@H](N3CCCCC3)C2)c2ccccc21 ZINC000264564230 496930898 /nfs/dbraw/zinc/93/08/98/496930898.db2.gz GBBYUKVLSVASLE-GOSISDBHSA-N 0 3 364.493 3.298 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1)c1ccccc1 ZINC000580971782 505880188 /nfs/dbraw/zinc/88/01/88/505880188.db2.gz JEPWIKDHEIMYTR-NSHGMRRFSA-N 0 3 371.525 3.047 20 30 FGEDHN CCCCCCOc1cccc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000264996313 497027577 /nfs/dbraw/zinc/02/75/77/497027577.db2.gz YGNAUJZQMQKXCL-MRCUWXFGSA-N 0 3 371.481 3.262 20 30 FGEDHN C[C@@H](S[C@H]1CCCN(Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000578192097 505883846 /nfs/dbraw/zinc/88/38/46/505883846.db2.gz ASAXBJCLMQZEEW-AEFFLSMTSA-N 0 3 357.523 3.335 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC000270283138 497093059 /nfs/dbraw/zinc/09/30/59/497093059.db2.gz STHBVDRSDHPCJX-UHFFFAOYSA-N 0 3 362.477 3.142 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ncccc1OCCCC#N ZINC000248812592 497108231 /nfs/dbraw/zinc/10/82/31/497108231.db2.gz HYGYWQKDAHSVHS-CVEARBPZSA-N 0 3 359.474 3.006 20 30 FGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ncccc1OCCCC#N ZINC000248812601 497108304 /nfs/dbraw/zinc/10/83/04/497108304.db2.gz HYGYWQKDAHSVHS-HOTGVXAUSA-N 0 3 359.474 3.006 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000278519258 497141532 /nfs/dbraw/zinc/14/15/32/497141532.db2.gz CJNRHAVUWQATER-JKIFEVAISA-N 0 3 361.467 3.169 20 30 FGEDHN Cc1ncsc1CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000265628532 497150615 /nfs/dbraw/zinc/15/06/15/497150615.db2.gz DLQWIOQDFGEKAE-UHFFFAOYSA-N 0 3 354.479 3.216 20 30 FGEDHN Cc1noc(C)c1C(=O)C(C(=S)[N-]C(C1CC1)C1CC1)[n+]1ccccc1 ZINC000274779059 497163010 /nfs/dbraw/zinc/16/30/10/497163010.db2.gz NJXUHTYEBXWWDJ-UHFFFAOYSA-O 0 3 370.498 3.296 20 30 FGEDHN Cc1csc2c1ncnc2N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000192685400 497184658 /nfs/dbraw/zinc/18/46/58/497184658.db2.gz SJUMCBLLZMXYLY-UHFFFAOYSA-N 0 3 351.479 3.440 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000574950880 505889929 /nfs/dbraw/zinc/88/99/29/505889929.db2.gz SOAFVXLTIRGCPW-QAPCUYQASA-N 0 3 370.497 3.103 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000275257783 497267693 /nfs/dbraw/zinc/26/76/93/497267693.db2.gz IBQZQULJYATSPE-QFIPXVFZSA-N 0 3 369.553 3.222 20 30 FGEDHN COc1ccc([C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000193348309 497357006 /nfs/dbraw/zinc/35/70/06/497357006.db2.gz AXNFBWGHSARUJN-HNAYVOBHSA-N 0 3 355.482 3.467 20 30 FGEDHN COc1ccc(C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279196474 497364145 /nfs/dbraw/zinc/36/41/45/497364145.db2.gz AFRGESFSSVITSR-GOSISDBHSA-N 0 3 361.445 3.343 20 30 FGEDHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279201427 497366181 /nfs/dbraw/zinc/36/61/81/497366181.db2.gz AUXZXRJVERUPRV-CJNGLKHVSA-N 0 3 369.371 3.102 20 30 FGEDHN C[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N1[C@H](C)CC[C@H]1C ZINC000245203775 497376648 /nfs/dbraw/zinc/37/66/48/497376648.db2.gz WBSVSCDVZGHRMO-RBSFLKMASA-N 0 3 352.400 3.434 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)COCc1ccccc1 ZINC000279272836 497389673 /nfs/dbraw/zinc/38/96/73/497389673.db2.gz JIYPIXJRJUPDFS-UWJYYQICSA-N 0 3 361.445 3.210 20 30 FGEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000271704460 497423699 /nfs/dbraw/zinc/42/36/99/497423699.db2.gz UPWIMFQPBDJHGG-CQSZACIVSA-N 0 3 352.394 3.454 20 30 FGEDHN COc1ccc(CN(C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279415386 497433789 /nfs/dbraw/zinc/43/37/89/497433789.db2.gz OKEDFBSGOPXKGT-UHFFFAOYSA-N 0 3 361.449 3.499 20 30 FGEDHN C=CCOc1ccc(CN2CCNC[C@@H]2c2ccccc2OC)cc1OC ZINC000261826430 497457861 /nfs/dbraw/zinc/45/78/61/497457861.db2.gz YKRDSWSCNNNDRX-LJQANCHMSA-N 0 3 368.477 3.415 20 30 FGEDHN C=CCN(Cc1cccc2c1NCC2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262000958 497490411 /nfs/dbraw/zinc/49/04/11/497490411.db2.gz UDICZWGWGHQZKP-INIZCTEOSA-N 0 3 360.465 3.380 20 30 FGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190615267 497546778 /nfs/dbraw/zinc/54/67/78/497546778.db2.gz BVDJSUHDSUELDM-HTAPYJJXSA-N 0 3 373.456 3.022 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccccc2OC(F)F)cc1 ZINC000280089635 497644912 /nfs/dbraw/zinc/64/49/12/497644912.db2.gz RTFBMZBDIBJJKV-KRWDZBQOSA-N 0 3 369.371 3.201 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000280161150 497667799 /nfs/dbraw/zinc/66/77/99/497667799.db2.gz CAONVXDHQJMTDG-FCHUYYIVSA-N 0 3 373.456 3.101 20 30 FGEDHN N#Cc1ccc2ncc(CN3CCC[C@@H]3Cn3cnc4ccccc43)n2c1 ZINC000581158866 505923174 /nfs/dbraw/zinc/92/31/74/505923174.db2.gz KGZRDHOBBRAPRF-QGZVFWFLSA-N 0 3 356.433 3.220 20 30 FGEDHN C#CCNC(=O)c1cccc(-c2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000276949849 497695815 /nfs/dbraw/zinc/69/58/15/497695815.db2.gz QQEDHLAIJNCZBE-KKUMJFAQSA-N 0 3 352.438 3.033 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268199991 497699693 /nfs/dbraw/zinc/69/96/93/497699693.db2.gz TYRKYEYWZPCBMH-UHFFFAOYSA-N 0 3 366.849 3.088 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000191091094 497706267 /nfs/dbraw/zinc/70/62/67/497706267.db2.gz FORFBPADRKQSDR-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN CCN1CC[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421448 497729596 /nfs/dbraw/zinc/72/95/96/497729596.db2.gz BWDWOXFRABQCFO-PXNSSMCTSA-N 0 3 366.509 3.400 20 30 FGEDHN CCO[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280417249 497746865 /nfs/dbraw/zinc/74/68/65/497746865.db2.gz LUKULXMQPSDEQB-VQTJNVASSA-N 0 3 353.466 3.342 20 30 FGEDHN CC(C)(C#N)CCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306966 497775474 /nfs/dbraw/zinc/77/54/74/497775474.db2.gz LRUUZVUQVTTZJP-UHFFFAOYSA-N 0 3 361.437 3.399 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(C2CC2)n1 ZINC000194817030 497781337 /nfs/dbraw/zinc/78/13/37/497781337.db2.gz HZCVWDIRRSOPIW-UHFFFAOYSA-N 0 3 354.479 3.096 20 30 FGEDHN CCCc1ccc(C(=O)C(C(=S)[N-]C2CC2)[n+]2cccc(CO)c2)cc1 ZINC000280553367 497787995 /nfs/dbraw/zinc/78/79/95/497787995.db2.gz JKMDBQDDXHSIRD-UHFFFAOYSA-O 0 3 369.510 3.110 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246673260 497798398 /nfs/dbraw/zinc/79/83/98/497798398.db2.gz QNIZKIUPEMOQDX-FUHWJXTLSA-N 0 3 353.422 3.068 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)C1 ZINC000329571999 497832426 /nfs/dbraw/zinc/83/24/26/497832426.db2.gz QYOCNJDHVPGXOU-MYKSZAICSA-N 0 3 357.498 3.283 20 30 FGEDHN CC[C@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccccc1 ZINC000299527833 497836045 /nfs/dbraw/zinc/83/60/45/497836045.db2.gz BJIFWKIJYCJWHI-AWEZNQCLSA-O 0 3 355.483 3.331 20 30 FGEDHN N#Cc1c(NC(=O)CCN[C@@H](CCO)c2ccccc2)sc2c1CCC2 ZINC000299530739 497837479 /nfs/dbraw/zinc/83/74/79/497837479.db2.gz DRXYUQIDINZGMP-KRWDZBQOSA-N 0 3 369.490 3.150 20 30 FGEDHN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000295894137 497845557 /nfs/dbraw/zinc/84/55/57/497845557.db2.gz HZQVKPWCNGYWQI-RBUKOAKNSA-N 0 3 367.497 3.026 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329674556 497865016 /nfs/dbraw/zinc/86/50/16/497865016.db2.gz OPGWYNKHOTWHJD-MLHJIOFPSA-N 0 3 357.502 3.055 20 30 FGEDHN CC(C)c1nn(C)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000280729475 497874629 /nfs/dbraw/zinc/87/46/29/497874629.db2.gz KLGDGVFYPKRLMX-UHFFFAOYSA-N 0 3 368.485 3.011 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1CCCN(C(C)C)CC1 ZINC000295976102 497876137 /nfs/dbraw/zinc/87/61/37/497876137.db2.gz OIPFHWUHMQMSKX-UHFFFAOYSA-N 0 3 355.486 3.060 20 30 FGEDHN O=C(NCc1noc2c1CCCC2)N1CCN(CC2CCCCC2)CC1 ZINC000329713786 497876820 /nfs/dbraw/zinc/87/68/20/497876820.db2.gz RZYWNECZXNOYAF-UHFFFAOYSA-N 0 3 360.502 3.165 20 30 FGEDHN C[C@]12CCN(CCC(=O)Nc3ccccc3C#N)C[C@H]1C2(Cl)Cl ZINC000284765775 497893459 /nfs/dbraw/zinc/89/34/59/497893459.db2.gz MKVBKQLQXUQAPV-ZBFHGGJFSA-N 0 3 352.265 3.403 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000329823153 497914944 /nfs/dbraw/zinc/91/49/44/497914944.db2.gz ZJIWUXBJQPVVRC-CWTRNNRKSA-N 0 3 356.445 3.062 20 30 FGEDHN Cn1cc(CN[C@H]2C[C@H](CO)c3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000364386227 497932661 /nfs/dbraw/zinc/93/26/61/497932661.db2.gz QUQZQDOYPGHTHV-UTKZUKDTSA-N 0 3 358.445 3.269 20 30 FGEDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000296165946 497941333 /nfs/dbraw/zinc/94/13/33/497941333.db2.gz TUJZINFNCSSRRM-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000329937379 497961371 /nfs/dbraw/zinc/96/13/71/497961371.db2.gz LMYSCXPZAIINKG-MRXNPFEDSA-N 0 3 367.497 3.175 20 30 FGEDHN O=C(NCC1(N2CCCC2)CCOCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000329939872 497962993 /nfs/dbraw/zinc/96/29/93/497962993.db2.gz BFVBPOYNVCQUCL-UHFFFAOYSA-N 0 3 373.428 3.430 20 30 FGEDHN COc1ccc(C#N)cc1CN[C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000364465682 497971687 /nfs/dbraw/zinc/97/16/87/497971687.db2.gz PMQPGLNQAKCLOP-KUHUBIRLSA-N 0 3 370.522 3.332 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC([O-])=[NH+]C[C@H]2CCc3nccn3C2)cc1 ZINC000329966589 497973818 /nfs/dbraw/zinc/97/38/18/497973818.db2.gz VCFQMHNVRIGCNE-KPFFTGBYSA-N 0 3 368.481 3.178 20 30 FGEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000329985160 497979983 /nfs/dbraw/zinc/97/99/83/497979983.db2.gz CXLBIEDOYXEMDT-LJQANCHMSA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000301220859 498005201 /nfs/dbraw/zinc/00/52/01/498005201.db2.gz BNHYAGFZPRMWFA-LJQANCHMSA-N 0 3 350.466 3.074 20 30 FGEDHN N#Cc1cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)ccc1F ZINC000285155999 498008474 /nfs/dbraw/zinc/00/84/74/498008474.db2.gz PDPBMBWACFKGBC-UHFFFAOYSA-N 0 3 363.436 3.360 20 30 FGEDHN CN1CCC(NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)CC1 ZINC000330115016 498027409 /nfs/dbraw/zinc/02/74/09/498027409.db2.gz FIBLVTBCGYXPDI-VQTJNVASSA-N 0 3 368.481 3.060 20 30 FGEDHN CC(C(=O)N[C@H]1CCc2cc(Cl)ccc21)S(=O)(=O)C1CCOCC1 ZINC000330166573 498046033 /nfs/dbraw/zinc/04/60/33/498046033.db2.gz VGRXVCVQNYQFFU-BZNIZROVSA-N 0 3 371.886 3.266 20 30 FGEDHN CC(C(=O)N[C@@H]1CCc2cc(Cl)ccc21)S(=O)(=O)C1CCOCC1 ZINC000330166572 498046807 /nfs/dbraw/zinc/04/68/07/498046807.db2.gz VGRXVCVQNYQFFU-BDJLRTHQSA-N 0 3 371.886 3.266 20 30 FGEDHN CO[C@H](C)c1nc(C)c(C(=O)NCC2(N3CCCC3)CCOCC2)s1 ZINC000330170875 498047302 /nfs/dbraw/zinc/04/73/02/498047302.db2.gz DYLRAOOQUXZSAV-CQSZACIVSA-N 0 3 367.515 3.109 20 30 FGEDHN N#CC1(CCCN[C@H](CO)c2ccccc2OC(F)(F)F)CCOCC1 ZINC000281185937 498048693 /nfs/dbraw/zinc/04/86/93/498048693.db2.gz BHNHZFNPFJCRSE-OAHLLOKOSA-N 0 3 372.387 3.309 20 30 FGEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000285383065 498069841 /nfs/dbraw/zinc/06/98/41/498069841.db2.gz ZZCHEMMJDYZYEZ-SFHVURJKSA-N 0 3 373.497 3.258 20 30 FGEDHN CC[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1C[C@H](C)O ZINC000301402267 498094919 /nfs/dbraw/zinc/09/49/19/498094919.db2.gz JKJSOQGJJRGTJS-XJKSGUPXSA-N 0 3 358.873 3.041 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H](O)C23CCCC3)C1 ZINC000330348265 498114171 /nfs/dbraw/zinc/11/41/71/498114171.db2.gz IOFMMKLRYVBTDU-NZSAHSFTSA-N 0 3 357.498 3.115 20 30 FGEDHN CN1CCC(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 ZINC000330471462 498138365 /nfs/dbraw/zinc/13/83/65/498138365.db2.gz NVDILNZSFYLSKB-UHFFFAOYSA-N 0 3 365.905 3.401 20 30 FGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(OCC#N)cc3)C[C@H]2C1 ZINC000289457585 498155445 /nfs/dbraw/zinc/15/54/45/498155445.db2.gz GESSTDMLDWDXEZ-ROUUACIJSA-N 0 3 371.481 3.278 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285697252 498174482 /nfs/dbraw/zinc/17/44/82/498174482.db2.gz VRLXAYVTZYCOSY-JKIFEVAISA-N 0 3 360.889 3.097 20 30 FGEDHN COc1cc(CNc2ccccc2CN2CCC(CO)CC2)ccc1C#N ZINC000281564492 498195557 /nfs/dbraw/zinc/19/55/57/498195557.db2.gz CDNCZXMDWXJWON-UHFFFAOYSA-N 0 3 365.477 3.383 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000281567013 498196354 /nfs/dbraw/zinc/19/63/54/498196354.db2.gz OJJBKXDZHOEWQZ-CTNGQTDRSA-N 0 3 371.525 3.274 20 30 FGEDHN CCOCCOCc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281598750 498207611 /nfs/dbraw/zinc/20/76/11/498207611.db2.gz FQDQAGYXRIYENZ-UHFFFAOYSA-N 0 3 354.450 3.410 20 30 FGEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@H]1N(C)C ZINC000330871773 498208660 /nfs/dbraw/zinc/20/86/60/498208660.db2.gz RGXFPZOEMWNLMK-HUUCEWRRSA-N 0 3 355.891 3.066 20 30 FGEDHN CCN(CC)C(=O)c1cccc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000330877203 498210224 /nfs/dbraw/zinc/21/02/24/498210224.db2.gz XHTFUEPNAUTCMB-INIZCTEOSA-N 0 3 374.529 3.376 20 30 FGEDHN C[C@H](CC(=O)c1cccs1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281659560 498229121 /nfs/dbraw/zinc/22/91/21/498229121.db2.gz SHSMVJJZWNHFHV-CJNGLKHVSA-N 0 3 351.431 3.080 20 30 FGEDHN C=CCN1CCC(NC(=O)NC2CCN(c3ccccc3CC)CC2)CC1 ZINC000365187506 498342239 /nfs/dbraw/zinc/34/22/39/498342239.db2.gz MEMREUJFAMRCAX-UHFFFAOYSA-N 0 3 370.541 3.167 20 30 FGEDHN N#CC1(CCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CCOCC1 ZINC000331490474 498349060 /nfs/dbraw/zinc/34/90/60/498349060.db2.gz ARKCLGBVOCXQCT-UHFFFAOYSA-N 0 3 373.472 3.120 20 30 FGEDHN N#CC1CCC(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000282067774 498378165 /nfs/dbraw/zinc/37/81/65/498378165.db2.gz CHSCWEXAMWKNNF-UHFFFAOYSA-N 0 3 354.498 3.234 20 30 FGEDHN CC(C)[C@H](CNc1ccc(Br)cc1C#N)N1CCN(C)CC1 ZINC000302194984 498437930 /nfs/dbraw/zinc/43/79/30/498437930.db2.gz SIGMYYJSSUAZHC-KRWDZBQOSA-N 0 3 365.319 3.005 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000578860605 506038707 /nfs/dbraw/zinc/03/87/07/506038707.db2.gz YIPUAMCEVUDOJF-LEWJYISDSA-N 0 3 371.912 3.420 20 30 FGEDHN CSCc1cnc(CN(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000293924537 498534104 /nfs/dbraw/zinc/53/41/04/498534104.db2.gz MWDVHVBXEPXXOE-UHFFFAOYSA-N 0 3 360.552 3.442 20 30 FGEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000572825821 506061218 /nfs/dbraw/zinc/06/12/18/506061218.db2.gz LDONOTCFJLIHCI-DZGCQCFKSA-N 0 3 355.392 3.176 20 30 FGEDHN N#CCOc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000363086787 498642648 /nfs/dbraw/zinc/64/26/48/498642648.db2.gz IHHUITYGGZEINT-IBGZPJMESA-N 0 3 363.461 3.231 20 30 FGEDHN CN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)C1CCN(Cc2ccccc2)CC1 ZINC000298174921 498685311 /nfs/dbraw/zinc/68/53/11/498685311.db2.gz QZVLAYPZBXKTTG-HKUYNNGSSA-N 0 3 354.498 3.375 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)c2ccccc2OCC#N)N(C)C)cc1 ZINC000294448868 498696162 /nfs/dbraw/zinc/69/61/62/498696162.db2.gz OQTTXIGNMVYQMZ-SFHVURJKSA-N 0 3 369.490 3.344 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 ZINC000579020218 506075586 /nfs/dbraw/zinc/07/55/86/506075586.db2.gz DZTWKQWAHFBNLC-GOSISDBHSA-N 0 3 356.857 3.420 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000287597544 498808412 /nfs/dbraw/zinc/80/84/12/498808412.db2.gz LMDRMERYUGAJIH-UHFFFAOYSA-N 0 3 363.461 3.059 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)[C@H]2C1 ZINC000332839610 498809826 /nfs/dbraw/zinc/80/98/26/498809826.db2.gz LRNNQGNKMFSIMA-UGKGYDQZSA-N 0 3 374.488 3.461 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000323705747 498822369 /nfs/dbraw/zinc/82/23/69/498822369.db2.gz UUUAUSNQMZHIOI-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N(C)C ZINC000298738000 498866051 /nfs/dbraw/zinc/86/60/51/498866051.db2.gz UZHAFJQWLZDWKZ-INIZCTEOSA-N 0 3 366.465 3.403 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)CC1 ZINC000283497018 498903234 /nfs/dbraw/zinc/90/32/34/498903234.db2.gz FLQDHLBFRYVHNA-UHFFFAOYSA-N 0 3 363.461 3.349 20 30 FGEDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)Nc1ccc2c(c1)OCCCO2 ZINC000328688766 498903928 /nfs/dbraw/zinc/90/39/28/498903928.db2.gz HTTLPAXYLGGGIV-MRXNPFEDSA-N 0 3 359.426 3.067 20 30 FGEDHN N#C[C@@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC12CCCC2 ZINC000573070766 506111189 /nfs/dbraw/zinc/11/11/89/506111189.db2.gz PJRUOKJQGMPJBG-OAQYLSRUSA-N 0 3 353.466 3.056 20 30 FGEDHN CC1(C)CN(C2(CNC(=O)c3ccc4cncn4c3)CCCCC2)CCO1 ZINC000328800492 498943188 /nfs/dbraw/zinc/94/31/88/498943188.db2.gz IIJLLGOTOMLQCM-UHFFFAOYSA-N 0 3 370.497 3.453 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000288099866 498944787 /nfs/dbraw/zinc/94/47/87/498944787.db2.gz GYLVLDRYXRORHB-VOQZNFBZSA-N 0 3 372.472 3.020 20 30 FGEDHN Cc1cccc(OC2CCN(CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000363711187 498954908 /nfs/dbraw/zinc/95/49/08/498954908.db2.gz JCRZPIIUIGLFOO-UHFFFAOYSA-N 0 3 370.478 3.195 20 30 FGEDHN CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 ZINC000328846189 498958964 /nfs/dbraw/zinc/95/89/64/498958964.db2.gz VMHWHIHWZFSPOA-OKDNKWQNSA-N 0 3 364.511 3.247 20 30 FGEDHN Cc1cnc(CCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 ZINC000582059361 506123885 /nfs/dbraw/zinc/12/38/85/506123885.db2.gz JWWXMYGWCFTLQO-UHFFFAOYSA-N 0 3 362.477 3.463 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000329000897 499011065 /nfs/dbraw/zinc/01/10/65/499011065.db2.gz LBUKAFWAVXYQRO-CVEARBPZSA-N 0 3 369.513 3.492 20 30 FGEDHN CN1C(=O)N[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000329009190 499013796 /nfs/dbraw/zinc/01/37/96/499013796.db2.gz ZXFACVMEXLVIEW-OLZOCXBDSA-N 0 3 371.268 3.274 20 30 FGEDHN Cc1nnc2ccc(C(=O)NC[C@@H]3CCCN(C)[C@H]3c3cccs3)cn12 ZINC000329028631 499020276 /nfs/dbraw/zinc/02/02/76/499020276.db2.gz WLYJYNWOHSXRMD-KBXCAEBGSA-N 0 3 369.494 3.487 20 30 FGEDHN C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329038328 499023334 /nfs/dbraw/zinc/02/33/34/499023334.db2.gz NMOLCLXQRMQZEV-QEEHTWDDSA-N 0 3 352.519 3.164 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000366671803 499028556 /nfs/dbraw/zinc/02/85/56/499028556.db2.gz UWAGZNGZQVYGJB-WSTZPKSXSA-N 0 3 355.482 3.421 20 30 FGEDHN CN(CC(=O)NC1CCCCC1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329074264 499033294 /nfs/dbraw/zinc/03/32/94/499033294.db2.gz BIDPYZFXDRFCBD-OXJNMPFZSA-N 0 3 361.534 3.024 20 30 FGEDHN CC(C)(C)c1ncc(C(=O)NCC2(N3CCCC3)CCOCC2)s1 ZINC000329113436 499045545 /nfs/dbraw/zinc/04/55/45/499045545.db2.gz RVSRWHLBHNNKAN-UHFFFAOYSA-N 0 3 351.516 3.390 20 30 FGEDHN C[C@@H]1C[C@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)CCO1 ZINC000329133821 499052582 /nfs/dbraw/zinc/05/25/82/499052582.db2.gz ZFZCUQINRIKAJU-IAGOWNOFSA-N 0 3 369.575 3.057 20 30 FGEDHN CC(C)[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CCO1 ZINC000329152913 499057689 /nfs/dbraw/zinc/05/76/89/499057689.db2.gz UBCMCIVXCVYPIQ-PMPSAXMXSA-N 0 3 362.518 3.203 20 30 FGEDHN Cc1cc(F)ccc1-n1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)nn1 ZINC000329178288 499064322 /nfs/dbraw/zinc/06/43/22/499064322.db2.gz MGTHENSZTXWVNC-OAHLLOKOSA-N 0 3 357.433 3.036 20 30 FGEDHN CC(C)Cn1ncc2cc(C(=O)N[C@H]3CCN(C4CCCC4)C3)cnc21 ZINC000329185875 499066245 /nfs/dbraw/zinc/06/62/45/499066245.db2.gz QJZBXOYCEHOGDG-KRWDZBQOSA-N 0 3 355.486 3.409 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H](C)[C@@H](C)CO)c1C#N ZINC000295705009 499084653 /nfs/dbraw/zinc/08/46/53/499084653.db2.gz JQHWOXOYYFVQMX-ZFWWWQNUSA-N 0 3 360.502 3.027 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000329261630 499086829 /nfs/dbraw/zinc/08/68/29/499086829.db2.gz FWNMQKDIMGYCEK-NZSAHSFTSA-N 0 3 372.513 3.252 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccnc(OC4CCCCC4)c3)[C@H]2C1 ZINC000329275123 499089631 /nfs/dbraw/zinc/08/96/31/499089631.db2.gz JQMCUZRUKJFINJ-MJGOQNOKSA-N 0 3 372.513 3.233 20 30 FGEDHN C[C@@H](NC(=O)NCc1cccnc1OC1CCCC1)C1=CCN(C)CC1 ZINC000329352699 499106438 /nfs/dbraw/zinc/10/64/38/499106438.db2.gz UPQXVDKBPWOSOR-OAHLLOKOSA-N 0 3 358.486 3.057 20 30 FGEDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1cc2nc[nH]c2cc1F ZINC000329394329 499114458 /nfs/dbraw/zinc/11/44/58/499114458.db2.gz SVIGVPLPUDOGBT-UHFFFAOYSA-N 0 3 360.433 3.042 20 30 FGEDHN CCN1CCN([C@H](C)CNC(=O)c2cnn(C3CCCCC3)c2C)CC1 ZINC000329526848 499129152 /nfs/dbraw/zinc/12/91/52/499129152.db2.gz TYVUYUOWPZFPBT-MRXNPFEDSA-N 0 3 361.534 3.027 20 30 FGEDHN C=CCN(C(=O)Nc1cn(C)nc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000369818679 499133342 /nfs/dbraw/zinc/13/33/42/499133342.db2.gz IRYAHBAJUFIHHJ-GOSISDBHSA-N 0 3 353.470 3.023 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2cccn2Cc2ccccc2C#N)[C@@]12CCCO2 ZINC000372650668 499157846 /nfs/dbraw/zinc/15/78/46/499157846.db2.gz PVFXRMMCGQGKOV-BDTNDASRSA-N 0 3 365.477 3.224 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000367221942 499163726 /nfs/dbraw/zinc/16/37/26/499163726.db2.gz VKFIRAZPIVWNEL-MRXNPFEDSA-N 0 3 364.449 3.223 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000370331096 499210242 /nfs/dbraw/zinc/21/02/42/499210242.db2.gz CLOMLAZERSQQOK-MRXNPFEDSA-N 0 3 369.415 3.478 20 30 FGEDHN N#Cc1c(F)ccc(CNC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1Cl ZINC000370447911 499221634 /nfs/dbraw/zinc/22/16/34/499221634.db2.gz RNHMKGRGQAUQQL-HNNXBMFYSA-N 0 3 371.843 3.489 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000370483978 499224788 /nfs/dbraw/zinc/22/47/88/499224788.db2.gz MQYROIULQPRCKO-QFIPXVFZSA-N 0 3 366.424 3.428 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000370664166 499241713 /nfs/dbraw/zinc/24/17/13/499241713.db2.gz CCVKLBHVWVGNER-HKUYNNGSSA-N 0 3 363.461 3.462 20 30 FGEDHN N#CC1(c2ccccn2)CCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000367893221 499242266 /nfs/dbraw/zinc/24/22/66/499242266.db2.gz WOBLWUMIYWLERZ-SFHVURJKSA-N 0 3 355.869 3.196 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000370906701 499269486 /nfs/dbraw/zinc/26/94/86/499269486.db2.gz XHVPFNRFJLTTQK-HNNXBMFYSA-N 0 3 357.889 3.214 20 30 FGEDHN C=CCN(C(=O)NCc1cscn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368393326 499291679 /nfs/dbraw/zinc/29/16/79/499291679.db2.gz JLHUGIGCTNJDOV-GOSISDBHSA-N 0 3 356.495 3.115 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)CC1 ZINC000368488009 499300806 /nfs/dbraw/zinc/30/08/06/499300806.db2.gz XNWJUGBRXJUPIU-LJQANCHMSA-N 0 3 371.529 3.325 20 30 FGEDHN C#CCOc1ccc(CN2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000371394797 499320052 /nfs/dbraw/zinc/32/00/52/499320052.db2.gz AGULQKOPRPKCSA-UHFFFAOYSA-N 0 3 355.463 3.006 20 30 FGEDHN COc1ccc(CC(=O)N2CCCN(CC(C)(C)CCC#N)CC2)cc1 ZINC000371415041 499323445 /nfs/dbraw/zinc/32/34/45/499323445.db2.gz AHMJEYIYJAPTQU-UHFFFAOYSA-N 0 3 357.498 3.102 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000369072237 499362691 /nfs/dbraw/zinc/36/26/91/499362691.db2.gz BZEGMASYLANRCW-LJQANCHMSA-N 0 3 373.497 3.201 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(Cc2ccccn2)CC1 ZINC000369095660 499364901 /nfs/dbraw/zinc/36/49/01/499364901.db2.gz LVQCTTTVOYMUJZ-UHFFFAOYSA-N 0 3 354.479 3.298 20 30 FGEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000371870895 499373958 /nfs/dbraw/zinc/37/39/58/499373958.db2.gz VAPYXBIFMGLSRF-UXHICEINSA-N 0 3 374.529 3.381 20 30 FGEDHN C[C@H](N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cccc(C#N)c1 ZINC000369222932 499379455 /nfs/dbraw/zinc/37/94/55/499379455.db2.gz AHQXLZRLMOUPGI-OXJNMPFZSA-N 0 3 357.461 3.406 20 30 FGEDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1)N(C)C ZINC000371985287 499387030 /nfs/dbraw/zinc/38/70/30/499387030.db2.gz FFRBFPDOGJGNRT-GUYCJALGSA-N 0 3 356.495 3.445 20 30 FGEDHN COC[C@@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000372093200 499398533 /nfs/dbraw/zinc/39/85/33/499398533.db2.gz BZQKTFXWRRDBPP-QZTJIDSGSA-N 0 3 373.497 3.079 20 30 FGEDHN CN1CC[C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1cccnc1 ZINC000369555405 499417091 /nfs/dbraw/zinc/41/70/91/499417091.db2.gz CCZFKRNIQTVSTE-VCOUNFBDSA-N 0 3 362.477 3.278 20 30 FGEDHN CCCC[C@H](C)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000576387384 506145975 /nfs/dbraw/zinc/14/59/75/506145975.db2.gz FLCFOIHBAOEBSW-PXNSSMCTSA-N 0 3 374.504 3.045 20 30 FGEDHN C=CCCCCCN(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000369600227 499424759 /nfs/dbraw/zinc/42/47/59/499424759.db2.gz JAXWKVFSRVCJTD-UHFFFAOYSA-N 0 3 358.530 3.476 20 30 FGEDHN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cccc(OCCCC#N)c1 ZINC000369759641 499441082 /nfs/dbraw/zinc/44/10/82/499441082.db2.gz ISENXEJPGBJWEW-SFTDATJTSA-N 0 3 355.482 3.344 20 30 FGEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)COc2ccccc2)CC1 ZINC000373115572 499452070 /nfs/dbraw/zinc/45/20/70/499452070.db2.gz MAVJXEKZUGLPDV-UHFFFAOYSA-N 0 3 357.498 3.320 20 30 FGEDHN N#Cc1ncn(C2CCN(Cc3ccc(-c4ccc(F)cc4)o3)CC2)n1 ZINC000373489257 499472838 /nfs/dbraw/zinc/47/28/38/499472838.db2.gz KKJPXTZMIYQEKR-UHFFFAOYSA-N 0 3 351.385 3.386 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000375156291 499490521 /nfs/dbraw/zinc/49/05/21/499490521.db2.gz BGDDIQLDYAYMNA-UHFFFAOYSA-N 0 3 365.437 3.027 20 30 FGEDHN Cc1ncc(CN2CC[C@@H](NCc3cc(C#N)ccc3F)[C@H](C)C2)s1 ZINC000375514369 499527401 /nfs/dbraw/zinc/52/74/01/499527401.db2.gz NPVVRZQOUQRIGE-BFUOFWGJSA-N 0 3 358.486 3.463 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCN(c3ncccc3F)CC2)cc1 ZINC000375553397 499531745 /nfs/dbraw/zinc/53/17/45/499531745.db2.gz UFFGIPXDJQRXNS-UHFFFAOYSA-N 0 3 367.472 3.283 20 30 FGEDHN C#CCOc1ccc(CN2CCC[C@@H](c3ccnc(COC)n3)C2)cc1 ZINC000375848785 499562155 /nfs/dbraw/zinc/56/21/55/499562155.db2.gz LOZFVEZUWUJAPI-GOSISDBHSA-N 0 3 351.450 3.015 20 30 FGEDHN N#Cc1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1F ZINC000404061642 499569898 /nfs/dbraw/zinc/56/98/98/499569898.db2.gz IHPRQDZURBWULY-FGZHOGPDSA-N 0 3 365.452 3.173 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@@H](CC(C)C)N2CCOCC2)cc1 ZINC000582175190 506151913 /nfs/dbraw/zinc/15/19/13/506151913.db2.gz SZICBQINTSKXHX-CTNGQTDRSA-N 0 3 359.514 3.377 20 30 FGEDHN Cc1cccc2oc(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)nc21 ZINC000409640773 499611184 /nfs/dbraw/zinc/61/11/84/499611184.db2.gz UXZCGSMHFAEFGA-KRWDZBQOSA-N 0 3 358.401 3.049 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000409854179 499625406 /nfs/dbraw/zinc/62/54/06/499625406.db2.gz GDJODTQBJMQIGZ-AZUAARDMSA-N 0 3 365.864 3.464 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCC12CCOCC2)C(C)C ZINC000410091263 499640841 /nfs/dbraw/zinc/64/08/41/499640841.db2.gz YXDQUSSSMFMJEL-RTBURBONSA-N 0 3 363.546 3.334 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000377091681 499661330 /nfs/dbraw/zinc/66/13/30/499661330.db2.gz VSECGEHPOSYPQY-VQIMIIECSA-N 0 3 369.428 3.304 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NC/C=C/c3ccc(F)c(F)c3)C2=O)cc1 ZINC000377156130 499666454 /nfs/dbraw/zinc/66/64/54/499666454.db2.gz YDLRLDXNSPWQOB-IUINOXSKSA-N 0 3 367.399 3.240 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000377246527 499673543 /nfs/dbraw/zinc/67/35/43/499673543.db2.gz UUIQETHKJOTZCP-MRXNPFEDSA-N 0 3 354.429 3.224 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000377546570 499702970 /nfs/dbraw/zinc/70/29/70/499702970.db2.gz GERANQWOWBKRER-WZGPROSRSA-N 0 3 362.901 3.430 20 30 FGEDHN COCCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1CC1 ZINC000411176154 499706924 /nfs/dbraw/zinc/70/69/24/499706924.db2.gz SEEOSJPPGCHGFK-ZDUSSCGKSA-N 0 3 361.511 3.184 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)C ZINC000411371083 499730801 /nfs/dbraw/zinc/73/08/01/499730801.db2.gz WINZUOYNAXBPDF-HBMCJLEFSA-N 0 3 351.494 3.477 20 30 FGEDHN CC[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC)cc1 ZINC000411435324 499740025 /nfs/dbraw/zinc/74/00/25/499740025.db2.gz CGTSLVFDNJFUNZ-SJORKVTESA-N 0 3 355.463 3.475 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@]34CCOC4)sc2C1 ZINC000411764187 499788078 /nfs/dbraw/zinc/78/80/78/499788078.db2.gz DRCCRRFXUKINMU-VLIAUNLRSA-N 0 3 373.522 3.328 20 30 FGEDHN CO[C@](C)([C@@H](C)NCC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000411946833 499805373 /nfs/dbraw/zinc/80/53/73/499805373.db2.gz LWGJVRICDJHVOF-AUUYWEPGSA-N 0 3 363.889 3.380 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H](O)C[C@H]2c2ccccc2)cc1Cl ZINC000411948953 499805647 /nfs/dbraw/zinc/80/56/47/499805647.db2.gz QCPKMEIHNLNHDD-HKUYNNGSSA-N 0 3 369.852 3.348 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412419002 499852972 /nfs/dbraw/zinc/85/29/72/499852972.db2.gz PQRBXTUUDPKJSU-RBUKOAKNSA-N 0 3 353.491 3.314 20 30 FGEDHN Cc1cccc(N2CCN(CCCCNc3ncc(C#N)cc3F)CC2)c1 ZINC000413106780 499914665 /nfs/dbraw/zinc/91/46/65/499914665.db2.gz ZHFMATUMHHJBNM-UHFFFAOYSA-N 0 3 367.472 3.415 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429020769 499984756 /nfs/dbraw/zinc/98/47/56/499984756.db2.gz NZOMSXNVMGXVTE-GJRWTSMGSA-N 0 3 374.916 3.201 20 30 FGEDHN COc1cc(C#N)ccc1OCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429229917 500027413 /nfs/dbraw/zinc/02/74/13/500027413.db2.gz WWIWCHCXGWJHNA-UHFFFAOYSA-N 0 3 355.394 3.379 20 30 FGEDHN CN(C)CCOc1cc(-c2noc(/C=C\c3cccc(C#N)c3)n2)ccn1 ZINC000570492870 506179813 /nfs/dbraw/zinc/17/98/13/506179813.db2.gz DLYXIKDOKUNWRU-SREVYHEPSA-N 0 3 361.405 3.114 20 30 FGEDHN CN(CC#Cc1cccc(Cl)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425943525 500214731 /nfs/dbraw/zinc/21/47/31/500214731.db2.gz RHOZPHVOUHNBAR-QFIPXVFZSA-N 0 3 368.908 3.260 20 30 FGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000430757554 500280569 /nfs/dbraw/zinc/28/05/69/500280569.db2.gz WLENAEIYMKVTTQ-OAHLLOKOSA-N 0 3 373.478 3.103 20 30 FGEDHN Cc1cc(C#N)nc(NCC2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000570538335 506190376 /nfs/dbraw/zinc/19/03/76/506190376.db2.gz BQNNVILCCOSGLD-UHFFFAOYSA-N 0 3 355.873 3.056 20 30 FGEDHN C=CCOc1ccc(Br)cc1N[C@@H](C)C[C@@H]1COCCN1 ZINC000423173388 500351271 /nfs/dbraw/zinc/35/12/71/500351271.db2.gz YIUNOVGDGWROQD-GXTWGEPZSA-N 0 3 355.276 3.193 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000570544756 506192177 /nfs/dbraw/zinc/19/21/77/506192177.db2.gz BQGLJHQRZFEBSR-QGZVFWFLSA-N 0 3 371.506 3.401 20 30 FGEDHN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)n1 ZINC000424072777 500447720 /nfs/dbraw/zinc/44/77/20/500447720.db2.gz ZEXHGZGJGBLFEJ-MRXNPFEDSA-N 0 3 355.467 3.204 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000424095558 500452314 /nfs/dbraw/zinc/45/23/14/500452314.db2.gz XGCVAUAAVZCDHD-ROUUACIJSA-N 0 3 355.413 3.083 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000424101985 500453192 /nfs/dbraw/zinc/45/31/92/500453192.db2.gz QBSUNPHAOZLQQG-FQEVSTJZSA-N 0 3 351.450 3.041 20 30 FGEDHN COc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)c2ccc(C)cc2)cc1 ZINC000424109154 500455114 /nfs/dbraw/zinc/45/51/14/500455114.db2.gz ZJLTXEKGBAAOTB-WOJBJXKFSA-N 0 3 351.450 3.230 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000424131636 500458604 /nfs/dbraw/zinc/45/86/04/500458604.db2.gz JNGMXNKOULVJPC-CQSZACIVSA-N 0 3 360.845 3.208 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000428034709 500460863 /nfs/dbraw/zinc/46/08/63/500460863.db2.gz UCRJBCPIBMQXDB-CYBMUJFWSA-N 0 3 356.857 3.466 20 30 FGEDHN CC1CCN(C[C@@H](O)CNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428126982 500471978 /nfs/dbraw/zinc/47/19/78/500471978.db2.gz VHIVFDIJEOGPKG-SFHVURJKSA-N 0 3 356.514 3.072 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000424653995 500536214 /nfs/dbraw/zinc/53/62/14/500536214.db2.gz TZCUHISRXNYOKE-UHFFFAOYSA-N 0 3 352.482 3.376 20 30 FGEDHN Cc1ccc(-c2csc(C(C#N)C(=O)c3cc(C(N)=O)cn3C)n2)cc1 ZINC000447238939 500579503 /nfs/dbraw/zinc/57/95/03/500579503.db2.gz POAGVTRVYMRUIN-CQSZACIVSA-N 0 3 364.430 3.046 20 30 FGEDHN COc1cccc(CNC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433022514 500607804 /nfs/dbraw/zinc/60/78/04/500607804.db2.gz VVYRGWZSWSPDPR-FQEVSTJZSA-N 0 3 351.450 3.336 20 30 FGEDHN N#CCCn1cc(CNCCOCc2ccccc2)c(-c2ccncc2)n1 ZINC000433335680 500675330 /nfs/dbraw/zinc/67/53/30/500675330.db2.gz QODWCJNVCPYRFI-UHFFFAOYSA-N 0 3 361.449 3.165 20 30 FGEDHN Cn1c(CCNC(=O)C(C#N)CCc2ccccc2)nc2ccc(F)cc21 ZINC000433341672 500676643 /nfs/dbraw/zinc/67/66/43/500676643.db2.gz GMESEVJDGXHQRR-INIZCTEOSA-N 0 3 364.424 3.144 20 30 FGEDHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433350448 500678364 /nfs/dbraw/zinc/67/83/64/500678364.db2.gz FQUKKZXLVZDPMA-AZUAARDMSA-N 0 3 362.477 3.059 20 30 FGEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000433357089 500679468 /nfs/dbraw/zinc/67/94/68/500679468.db2.gz WJWIBZFUMVDNDS-QUCCMNQESA-N 0 3 361.445 3.023 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cnccc1C ZINC000433394638 500686997 /nfs/dbraw/zinc/68/69/97/500686997.db2.gz MUTRFSVCUFFFIA-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNCc1c(Br)c(C)nn1C)C(C)C ZINC000447945124 500694045 /nfs/dbraw/zinc/69/40/45/500694045.db2.gz VHAGUVBSRNLKJW-HNNXBMFYSA-N 0 3 369.351 3.279 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000438243935 500758184 /nfs/dbraw/zinc/75/81/84/500758184.db2.gz CEEYOEXYUSYDPD-UHOSZYNNSA-N 0 3 359.514 3.396 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@@H](NCc3ccc(C#N)c(C)c3)C2)c1 ZINC000443981836 500786735 /nfs/dbraw/zinc/78/67/35/500786735.db2.gz CMLYYPKNBPNPEI-GOSISDBHSA-N 0 3 351.450 3.252 20 30 FGEDHN Cc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)ccc1C#N ZINC000443989806 500787942 /nfs/dbraw/zinc/78/79/42/500787942.db2.gz RNKNRBIRBQNGDO-IRXDYDNUSA-N 0 3 350.466 3.165 20 30 FGEDHN CC[C@@H](CC(F)(F)F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000448815419 500841994 /nfs/dbraw/zinc/84/19/94/500841994.db2.gz DMVFHVICEFNIAG-INIZCTEOSA-N 0 3 355.404 3.427 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000448817117 500842684 /nfs/dbraw/zinc/84/26/84/500842684.db2.gz VQCWJWYFKGXLIW-GMAHTHKFSA-N 0 3 361.489 3.426 20 30 FGEDHN N#CC(C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1cnc2ccccc2n1 ZINC000434649547 500873455 /nfs/dbraw/zinc/87/34/55/500873455.db2.gz ZZQGKJLNYJKQQA-DLBZAZTESA-N 0 3 359.385 3.288 20 30 FGEDHN C=CCN1CC[C@@H](N2CCC(c3cccc(Br)c3)CC2)C1=O ZINC000439328896 500886200 /nfs/dbraw/zinc/88/62/00/500886200.db2.gz XOSFYWCQJIRAIM-QGZVFWFLSA-N 0 3 363.299 3.415 20 30 FGEDHN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@@H](N)CCCCC#N)C2 ZINC000602580232 506223437 /nfs/dbraw/zinc/22/34/37/506223437.db2.gz XBCFWTGQQSWWAO-INIZCTEOSA-N 0 3 364.287 3.054 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000439574163 500915151 /nfs/dbraw/zinc/91/51/51/500915151.db2.gz UWOMPEBYMJUSPR-IIBYNOLFSA-N 0 3 371.444 3.200 20 30 FGEDHN CN(CCN(C)c1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435123934 500936005 /nfs/dbraw/zinc/93/60/05/500936005.db2.gz KHPYSCGBJFHUAT-UHFFFAOYSA-N 0 3 374.492 3.427 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CC(C)(C)CO)cc1OC ZINC000449412736 500997779 /nfs/dbraw/zinc/99/77/79/500997779.db2.gz DHKCHNTUCLLJMF-UHFFFAOYSA-N 0 3 372.303 3.473 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000435731222 501019721 /nfs/dbraw/zinc/01/97/21/501019721.db2.gz KIEUXTYRXPKONH-OXQOHEQNSA-N 0 3 363.933 3.163 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000435739286 501021225 /nfs/dbraw/zinc/02/12/25/501021225.db2.gz GDDHATVEMGCLRK-YVEFUNNKSA-N 0 3 350.825 3.131 20 30 FGEDHN COc1cc(CNCCOc2ncc(Cl)cc2Cl)ccc1C#N ZINC000440614974 501029183 /nfs/dbraw/zinc/02/91/83/501029183.db2.gz OHXQGSNDMDOXHI-UHFFFAOYSA-N 0 3 352.221 3.437 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000449545962 501029611 /nfs/dbraw/zinc/02/96/11/501029611.db2.gz AMRIRPMPSDRCCT-KGLIPLIRSA-N 0 3 357.397 3.171 20 30 FGEDHN C=CCC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000449659302 501052644 /nfs/dbraw/zinc/05/26/44/501052644.db2.gz VRBFVDNVLONBBO-HXUWFJFHSA-N 0 3 355.482 3.010 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 ZINC000436226531 501092276 /nfs/dbraw/zinc/09/22/76/501092276.db2.gz ITMWRROMMGZYFN-UHFFFAOYSA-N 0 3 360.417 3.205 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450423050 501117864 /nfs/dbraw/zinc/11/78/64/501117864.db2.gz WIULYQHTGJDENN-UHFFFAOYSA-N 0 3 351.410 3.214 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1C ZINC000442189793 501206349 /nfs/dbraw/zinc/20/63/49/501206349.db2.gz CNQQFGDZDDXDBM-GWCFXTLKSA-N 0 3 356.348 3.061 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450814552 501212551 /nfs/dbraw/zinc/21/25/51/501212551.db2.gz WAYGVAZYYHYUJW-MRXNPFEDSA-N 0 3 350.422 3.425 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1)C(C)C ZINC000457752625 501301549 /nfs/dbraw/zinc/30/15/49/501301549.db2.gz PUNGRAGQTQYVDI-DYXWJJEUSA-N 0 3 361.530 3.038 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)C1(C)C ZINC000451487813 501304859 /nfs/dbraw/zinc/30/48/59/501304859.db2.gz FUUBLBGZVPJJGZ-KBRIMQKVSA-N 0 3 361.511 3.422 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccsc1)c1ccc(C#N)cc1 ZINC000457810450 501314464 /nfs/dbraw/zinc/31/44/64/501314464.db2.gz AFXRZKPFTABJCE-HNNXBMFYSA-N 0 3 356.495 3.454 20 30 FGEDHN CO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000451550993 501320863 /nfs/dbraw/zinc/32/08/63/501320863.db2.gz VUEHXXNRIZYPPM-CZUORRHYSA-N 0 3 361.511 3.184 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000451565967 501326174 /nfs/dbraw/zinc/32/61/74/501326174.db2.gz NDFWFAAMYBOIPU-NRFANRHFSA-N 0 3 368.477 3.222 20 30 FGEDHN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000453411897 501326214 /nfs/dbraw/zinc/32/62/14/501326214.db2.gz FKBYDQWRDFEFTN-WMZOPIPTSA-N 0 3 359.518 3.159 20 30 FGEDHN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000453445216 501333565 /nfs/dbraw/zinc/33/35/65/501333565.db2.gz UILDTKWTFGIHTD-KRWDZBQOSA-N 0 3 361.534 3.264 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453450100 501334588 /nfs/dbraw/zinc/33/45/88/501334588.db2.gz QKHOVKQWLCHAMP-QGZVFWFLSA-N 0 3 357.477 3.113 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453450372 501335133 /nfs/dbraw/zinc/33/51/33/501335133.db2.gz HGWIKFAQRVOKJP-QGZVFWFLSA-N 0 3 364.497 3.313 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000451606933 501335167 /nfs/dbraw/zinc/33/51/67/501335167.db2.gz NZWKSSMZXXVBNU-DFBGVHRSSA-N 0 3 353.260 3.018 20 30 FGEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC000451689187 501350883 /nfs/dbraw/zinc/35/08/83/501350883.db2.gz LGTSHUUXJMDWQC-JSGCOSHPSA-N 0 3 362.271 3.020 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458273670 501409096 /nfs/dbraw/zinc/40/90/96/501409096.db2.gz MBGRTHIWLQMAQX-CRAIPNDOSA-N 0 3 350.434 3.076 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000456062542 501446537 /nfs/dbraw/zinc/44/65/37/501446537.db2.gz KUGNYFMAJAZWIP-KRWDZBQOSA-N 0 3 353.510 3.460 20 30 FGEDHN C=CCOCC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000452450202 501503310 /nfs/dbraw/zinc/50/33/10/501503310.db2.gz GNNPKYVMBLAAGS-OAQYLSRUSA-N 0 3 356.510 3.338 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000454468910 501552732 /nfs/dbraw/zinc/55/27/32/501552732.db2.gz TYCAJOGIINSKPF-MOPGFXCFSA-N 0 3 361.530 3.018 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000602681992 506260708 /nfs/dbraw/zinc/26/07/08/506260708.db2.gz OXZBBUXTIPMZQK-TVFCKZIOSA-N 0 3 360.502 3.069 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000459028074 501579450 /nfs/dbraw/zinc/57/94/50/501579450.db2.gz NOIFSJUIOKIIQY-NBYUQASBSA-N 0 3 357.498 3.197 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)n1 ZINC000602685315 506263001 /nfs/dbraw/zinc/26/30/01/506263001.db2.gz FVMQRRHTXZMSSN-ZWKOTPCHSA-N 0 3 360.383 3.073 20 30 FGEDHN C=CCC1(C(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)CCC1 ZINC000453012682 501601236 /nfs/dbraw/zinc/60/12/36/501601236.db2.gz JZAJDKSGOIBCGV-UHFFFAOYSA-N 0 3 369.509 3.472 20 30 FGEDHN CC(C)(CC#N)CNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000459233644 501616992 /nfs/dbraw/zinc/61/69/92/501616992.db2.gz IYUWCGVMACHYCW-NRFANRHFSA-N 0 3 354.498 3.234 20 30 FGEDHN Cc1cc(NCCc2ccc(OCCN(C)C)cc2)cc(C#N)c1[N+](=O)[O-] ZINC000596113800 506265069 /nfs/dbraw/zinc/26/50/69/506265069.db2.gz ZKEYUAXPWCKJFX-UHFFFAOYSA-N 0 3 368.437 3.370 20 30 FGEDHN CN(C)CCNC(=O)c1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000598991299 506265441 /nfs/dbraw/zinc/26/54/41/506265441.db2.gz KALOYAQIEWBGGO-UHFFFAOYSA-N 0 3 362.477 3.145 20 30 FGEDHN CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CO)CCCC1 ZINC000459529913 501670525 /nfs/dbraw/zinc/67/05/25/501670525.db2.gz LENWICPIMRIWNU-GOSISDBHSA-N 0 3 363.889 3.317 20 30 FGEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000457243499 501671242 /nfs/dbraw/zinc/67/12/42/501671242.db2.gz UTEMADUBACUBCH-UWJYYQICSA-N 0 3 356.466 3.339 20 30 FGEDHN Cc1nsc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1C#N ZINC000459548508 501674190 /nfs/dbraw/zinc/67/41/90/501674190.db2.gz AQMATIQDJDYBJA-UHFFFAOYSA-N 0 3 369.494 3.282 20 30 FGEDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000459770627 501711753 /nfs/dbraw/zinc/71/17/53/501711753.db2.gz HOQSYJWCXHNTQK-MSOLQXFVSA-N 0 3 358.486 3.187 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N(C)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000457559384 501721007 /nfs/dbraw/zinc/72/10/07/501721007.db2.gz PFQSZZDCFWLABR-GOSISDBHSA-N 0 3 360.502 3.269 20 30 FGEDHN Cc1cccc(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1C ZINC000470721858 501782034 /nfs/dbraw/zinc/78/20/34/501782034.db2.gz FJVZXKPLOXXQBM-NRFANRHFSA-N 0 3 372.472 3.206 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470732266 501785364 /nfs/dbraw/zinc/78/53/64/501785364.db2.gz JYHUJBADLKUHRR-VXKWHMMOSA-N 0 3 374.488 3.440 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Br)s2)cc1 ZINC000470795020 501806091 /nfs/dbraw/zinc/80/60/91/501806091.db2.gz KXCOPQBRRSBLKL-CYBMUJFWSA-N 0 3 374.263 3.381 20 30 FGEDHN CCCC(=O)Nc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470846120 501826568 /nfs/dbraw/zinc/82/65/68/501826568.db2.gz ZUJAXVIUYRGWRI-LJQANCHMSA-N 0 3 374.444 3.296 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](C)N(C)C ZINC000460453676 501827839 /nfs/dbraw/zinc/82/78/39/501827839.db2.gz ZZNDPMSFAPUNHW-CYBMUJFWSA-N 0 3 350.463 3.224 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000470975623 501878329 /nfs/dbraw/zinc/87/83/29/501878329.db2.gz PPEUEJWBDPAXEB-OXJNMPFZSA-N 0 3 369.428 3.304 20 30 FGEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(CC)CC ZINC000470976742 501880122 /nfs/dbraw/zinc/88/01/22/501880122.db2.gz TUWVPLOPUBGRFM-GUDVDZBRSA-N 0 3 353.466 3.341 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000470988918 501884087 /nfs/dbraw/zinc/88/40/87/501884087.db2.gz KGPYABYQWFGVHZ-CZUORRHYSA-N 0 3 353.372 3.439 20 30 FGEDHN CN(CCNCc1cccc(OCc2ccccc2C#N)c1)CC(F)F ZINC000599021866 506281621 /nfs/dbraw/zinc/28/16/21/506281621.db2.gz DXKMDBJVXAVDPK-UHFFFAOYSA-N 0 3 359.420 3.424 20 30 FGEDHN Cn1cc(CNCc2cccc(-n3ccnc3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478251756 501921691 /nfs/dbraw/zinc/92/16/91/501921691.db2.gz KLUJKNXKWJQMEI-UHFFFAOYSA-N 0 3 368.444 3.434 20 30 FGEDHN COC(=O)c1oc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000602744881 506282158 /nfs/dbraw/zinc/28/21/58/506282158.db2.gz UVLNNVISMQIVSP-UHFFFAOYSA-N 0 3 367.449 3.001 20 30 FGEDHN Cn1cc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccc(F)cc21 ZINC000471135949 501931565 /nfs/dbraw/zinc/93/15/65/501931565.db2.gz GJNKMKJLLYBAJD-SFHVURJKSA-N 0 3 374.419 3.230 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C[C@H]1C ZINC000460920293 501958555 /nfs/dbraw/zinc/95/85/55/501958555.db2.gz BFYIPIWOMYVWPB-SJORKVTESA-N 0 3 366.513 3.392 20 30 FGEDHN N#CC(C(=O)c1ccc2c(c1)CCC(=O)N2)c1cc(C(F)(F)F)ccn1 ZINC000464470289 501998606 /nfs/dbraw/zinc/99/86/06/501998606.db2.gz VCGAOAXOJOZDGC-CYBMUJFWSA-N 0 3 359.307 3.475 20 30 FGEDHN C=CCOc1cccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1 ZINC000475102225 502060388 /nfs/dbraw/zinc/06/03/88/502060388.db2.gz VFLGGELJSSZSCW-ICSRJNTNSA-N 0 3 372.488 3.029 20 30 FGEDHN N#Cc1cccc(N2CCN(CC3CCC(C(F)(F)F)CC3)CC2)n1 ZINC000468484713 502075925 /nfs/dbraw/zinc/07/59/25/502075925.db2.gz UYVYNTSGSVSWHT-UHFFFAOYSA-N 0 3 352.404 3.444 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H](CN2CCCC2)c2ccccc2)nc1 ZINC000461441099 502116025 /nfs/dbraw/zinc/11/60/25/502116025.db2.gz AYUNTBGPWNMQTJ-LJQANCHMSA-N 0 3 350.466 3.246 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000461443204 502116754 /nfs/dbraw/zinc/11/67/54/502116754.db2.gz GRSBVHOFCKQTFS-RTWAWAEBSA-N 0 3 359.473 3.461 20 30 FGEDHN N#Cc1ccnc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000588657551 506295747 /nfs/dbraw/zinc/29/57/47/506295747.db2.gz IOGTUWBMNUXUFM-UHFFFAOYSA-N 0 3 368.868 3.345 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2-n2cccn2)CC1 ZINC000471887834 502164632 /nfs/dbraw/zinc/16/46/32/502164632.db2.gz KFUGVCAJCHMXDF-UHFFFAOYSA-N 0 3 359.861 3.298 20 30 FGEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479317692 502223318 /nfs/dbraw/zinc/22/33/18/502223318.db2.gz RZIOHKYHZZRETF-AZUAARDMSA-N 0 3 351.425 3.419 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCc2c[nH]c3ccccc23)cc1 ZINC000472099967 502230466 /nfs/dbraw/zinc/23/04/66/502230466.db2.gz MFRYXMBANICUFP-LJQANCHMSA-N 0 3 356.429 3.471 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@]3(CO)Cc3ccccc3)o2)c1 ZINC000475671436 502249919 /nfs/dbraw/zinc/24/99/19/502249919.db2.gz PVILQHXZJVYRGR-JOCHJYFZSA-N 0 3 374.444 3.178 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000472174593 502257777 /nfs/dbraw/zinc/25/77/77/502257777.db2.gz QZARZRFAOUZKAK-LJQANCHMSA-N 0 3 359.514 3.275 20 30 FGEDHN CCc1ccc([C@@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000469019050 502265937 /nfs/dbraw/zinc/26/59/37/502265937.db2.gz UPFATEPVQQSSMU-IFXJQAMLSA-N 0 3 370.474 3.018 20 30 FGEDHN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nccc2ccccc21 ZINC000483219788 502317796 /nfs/dbraw/zinc/31/77/96/502317796.db2.gz MAHKWEUFFIVGEV-WMZOPIPTSA-N 0 3 359.385 3.288 20 30 FGEDHN Cn1c2cc(-c3cccc(C(=O)C(C#N)c4ccccn4)c3)cnc2[nH]c1=O ZINC000486992571 502325325 /nfs/dbraw/zinc/32/53/25/502325325.db2.gz ZWRXIEIMBRTLIC-MRXNPFEDSA-N 0 3 369.384 3.226 20 30 FGEDHN CC[C@H](C)[C@@H](NC(=O)C(C)C#N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000469201803 502334440 /nfs/dbraw/zinc/33/44/40/502334440.db2.gz KPROWYOEHKFUIU-SQGPQFPESA-N 0 3 369.509 3.158 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000487175387 502380752 /nfs/dbraw/zinc/38/07/52/502380752.db2.gz IAKMUKFYCIIEAO-KSSFIOAISA-N 0 3 365.905 3.366 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2C(F)F)cc1 ZINC000483478471 502404457 /nfs/dbraw/zinc/40/44/57/502404457.db2.gz RNEAXLMHXKZAPD-SMDDNHRTSA-N 0 3 371.409 3.024 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000469430406 502413962 /nfs/dbraw/zinc/41/39/62/502413962.db2.gz QKXSTAYIOXXBEL-RHSMWYFYSA-N 0 3 352.862 3.200 20 30 FGEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469458479 502425438 /nfs/dbraw/zinc/42/54/38/502425438.db2.gz FZZXTOMHZXLLDT-VQIMIIECSA-N 0 3 352.482 3.357 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C(C)(C)C)C2)cc1 ZINC000483603646 502441620 /nfs/dbraw/zinc/44/16/20/502441620.db2.gz TVOZXSCLTAYWPT-KGLIPLIRSA-N 0 3 363.483 3.272 20 30 FGEDHN Cc1nc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)ccc1C#N ZINC000469502492 502443254 /nfs/dbraw/zinc/44/32/54/502443254.db2.gz YTSOKVZVYLNQAY-HXUWFJFHSA-N 0 3 350.466 3.148 20 30 FGEDHN CSC1(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CCN(C)CC1 ZINC000462509894 502470846 /nfs/dbraw/zinc/47/08/46/502470846.db2.gz FWKQQTPEMKVVCL-UHFFFAOYSA-N 0 3 372.538 3.060 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000599088240 506317858 /nfs/dbraw/zinc/31/78/58/506317858.db2.gz OXRGGUHTVHBHNQ-BHIFYINESA-N 0 3 359.473 3.034 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000480294492 502529331 /nfs/dbraw/zinc/52/93/31/502529331.db2.gz NXVXSXFSDRNHHZ-HXUWFJFHSA-N 0 3 362.473 3.312 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cnccn1 ZINC000466479128 502582737 /nfs/dbraw/zinc/58/27/37/502582737.db2.gz QFAMWMSQKMQFSI-HNNXBMFYSA-N 0 3 358.515 3.136 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)cc1 ZINC000488172892 502647056 /nfs/dbraw/zinc/64/70/56/502647056.db2.gz CCKWSEKYRFGFGS-RTWAWAEBSA-N 0 3 362.477 3.197 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC(C)(C)C2)cc1 ZINC000481003265 502725168 /nfs/dbraw/zinc/72/51/68/502725168.db2.gz CYSOFDIVOLHNKD-HIFRSBDPSA-N 0 3 363.483 3.463 20 30 FGEDHN COc1cnccc1N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000481037697 502737060 /nfs/dbraw/zinc/73/70/60/502737060.db2.gz MPNGKIFXQFBDHY-UHFFFAOYSA-N 0 3 362.355 3.307 20 30 FGEDHN COc1cnccc1N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000481060122 502743592 /nfs/dbraw/zinc/74/35/92/502743592.db2.gz ZSTQTPHLGLESET-UHFFFAOYSA-N 0 3 362.355 3.307 20 30 FGEDHN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000473918220 502748951 /nfs/dbraw/zinc/74/89/51/502748951.db2.gz JVNSJAVUIBKVLM-INIZCTEOSA-N 0 3 369.918 3.000 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467115784 502790999 /nfs/dbraw/zinc/79/09/99/502790999.db2.gz IXIXBGMBHCVHFH-CRAIPNDOSA-N 0 3 364.449 3.351 20 30 FGEDHN CCCN(CCN1CCCCC1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000513128846 502858848 /nfs/dbraw/zinc/85/88/48/502858848.db2.gz TWEWRSWXTSRREV-UHFFFAOYSA-N 0 3 362.543 3.373 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1Oc2ccccc2O[C@H]1C)C(C)C ZINC000495999883 502869301 /nfs/dbraw/zinc/86/93/01/502869301.db2.gz MSYCLHVEPKEIKS-QKLQHJQFSA-N 0 3 358.482 3.030 20 30 FGEDHN N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)[nH]1 ZINC000513262366 502891270 /nfs/dbraw/zinc/89/12/70/502891270.db2.gz NWQVUGGSQXYEDF-RBBKRZOGSA-N 0 3 370.456 3.284 20 30 FGEDHN CN(C)CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CCCCC1 ZINC000513326259 502905338 /nfs/dbraw/zinc/90/53/38/502905338.db2.gz OKXJZZLTYUASEF-UHFFFAOYSA-N 0 3 365.481 3.080 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000509608262 502946926 /nfs/dbraw/zinc/94/69/26/502946926.db2.gz BJWILIVGXNTZNX-MAUKXSAKSA-N 0 3 354.454 3.422 20 30 FGEDHN C=C[C@H]1CCCCN1CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000489406082 502949559 /nfs/dbraw/zinc/94/95/59/502949559.db2.gz REMAJDLNYQOIBQ-NRFANRHFSA-N 0 3 355.526 3.070 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCc2cc(OC)c(OC)cc2CC1 ZINC000501206626 502958635 /nfs/dbraw/zinc/95/86/35/502958635.db2.gz PPBKHXLTXGDZSS-UHFFFAOYSA-N 0 3 352.434 3.185 20 30 FGEDHN CN(CC(C)(C)C#N)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000497447802 502962650 /nfs/dbraw/zinc/96/26/50/502962650.db2.gz VRXOVAKYRAPNSW-GOSISDBHSA-N 0 3 367.415 3.449 20 30 FGEDHN C=CCCCS(=O)(=O)N[C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000489679554 503009596 /nfs/dbraw/zinc/00/95/96/503009596.db2.gz BAOXCIVXWSOMTF-DZFIZOCASA-N 0 3 350.528 3.029 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCN1CCCC[C@@H]1CC ZINC000497837451 503051052 /nfs/dbraw/zinc/05/10/52/503051052.db2.gz TVGAGIQUEVFZQK-KRWDZBQOSA-N 0 3 363.502 3.124 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nc2c(cccc2C)[nH]1)C(C)C ZINC000497951462 503074012 /nfs/dbraw/zinc/07/40/12/503074012.db2.gz QJKKEHZLFRUFFX-SFHVURJKSA-N 0 3 369.513 3.369 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000497951462 503074018 /nfs/dbraw/zinc/07/40/18/503074018.db2.gz QJKKEHZLFRUFFX-SFHVURJKSA-N 0 3 369.513 3.369 20 30 FGEDHN Cc1ccc2c(c1)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000582661978 506352929 /nfs/dbraw/zinc/35/29/29/506352929.db2.gz RAPBXSGBAKWCBV-FQEVSTJZSA-N 0 3 354.475 3.308 20 30 FGEDHN COc1cc(C)c(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)n1 ZINC000514229802 503119802 /nfs/dbraw/zinc/11/98/02/503119802.db2.gz FPJZNLXUESGNME-KRWDZBQOSA-N 0 3 368.456 3.476 20 30 FGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502162174 503153512 /nfs/dbraw/zinc/15/35/12/503153512.db2.gz CGUBCOLPZNCUOC-ROUUACIJSA-N 0 3 366.509 3.477 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCOc3ccccc3F)CC2)c1 ZINC000502177547 503157500 /nfs/dbraw/zinc/15/75/00/503157500.db2.gz XODVIOHMMHCUPO-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN Cn1cc(CN2CCC[C@@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490380497 503165319 /nfs/dbraw/zinc/16/53/19/503165319.db2.gz YQUOQGUZSAYDQA-OAQYLSRUSA-N 0 3 350.466 3.351 20 30 FGEDHN C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1=CCN(C)CC1 ZINC000510743334 503183513 /nfs/dbraw/zinc/18/35/13/503183513.db2.gz RPQYMKQNQLRUKT-OAHLLOKOSA-N 0 3 365.433 3.110 20 30 FGEDHN CSCc1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000514788687 503194075 /nfs/dbraw/zinc/19/40/75/503194075.db2.gz RYOKFQRRXGKYJC-LJQANCHMSA-N 0 3 356.491 3.145 20 30 FGEDHN CC1(c2ccccc2)CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000510806758 503196432 /nfs/dbraw/zinc/19/64/32/503196432.db2.gz OZKIICDKDVFVRA-FQEVSTJZSA-N 0 3 350.462 3.352 20 30 FGEDHN CS[C@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1N(C)C ZINC000490861331 503238173 /nfs/dbraw/zinc/23/81/73/503238173.db2.gz VNQJLPUUHVATHI-HOCLYGCPSA-N 0 3 359.520 3.199 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C ZINC000498931159 503296937 /nfs/dbraw/zinc/29/69/37/503296937.db2.gz YGOPMJWMWKLJES-IKGGRYGDSA-N 0 3 374.554 3.291 20 30 FGEDHN CCC1(N2CCOCC2)CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000599184083 506364463 /nfs/dbraw/zinc/36/44/63/506364463.db2.gz YBFQVTNLSRVAFK-UHFFFAOYSA-N 0 3 350.466 3.188 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000611937934 506368584 /nfs/dbraw/zinc/36/85/84/506368584.db2.gz BCIFZWVAWBQINU-NRFANRHFSA-N 0 3 362.477 3.314 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503488765 503420547 /nfs/dbraw/zinc/42/05/47/503420547.db2.gz OOTKVUMYEIBEFF-ZDUSSCGKSA-N 0 3 369.918 3.000 20 30 FGEDHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000503515637 503425188 /nfs/dbraw/zinc/42/51/88/503425188.db2.gz GYCLYHDJLGQPDM-CUOATXAZSA-N 0 3 357.788 3.289 20 30 FGEDHN C=CCN1CC[C@@H](N(C)[C@@H](CC)Cc2ccccc2Br)C1=O ZINC000499637514 503448003 /nfs/dbraw/zinc/44/80/03/503448003.db2.gz QASCFQMLPHTZCM-DOTOQJQBSA-N 0 3 365.315 3.489 20 30 FGEDHN COc1cc(CNCCSCc2ccccc2C#N)cc(OC)c1O ZINC000508323811 503475024 /nfs/dbraw/zinc/47/50/24/503475024.db2.gz BBGBINXNGFNSRV-UHFFFAOYSA-N 0 3 358.463 3.304 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)c1cccc(OC)c1 ZINC000503964885 503500323 /nfs/dbraw/zinc/50/03/23/503500323.db2.gz QPIZCGPAPFBMQK-LJQANCHMSA-N 0 3 372.513 3.413 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000508482329 503503259 /nfs/dbraw/zinc/50/32/59/503503259.db2.gz CUZMVXXRYUVMRR-IXDOHACOSA-N 0 3 355.482 3.189 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 ZINC000508507681 503508626 /nfs/dbraw/zinc/50/86/26/503508626.db2.gz IXNMPHPEVNIAQV-UHFFFAOYSA-N 0 3 369.488 3.259 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000504127203 503527608 /nfs/dbraw/zinc/52/76/08/503527608.db2.gz ZEGYIEHQYRYZQU-CUDHKJQZSA-N 0 3 359.514 3.267 20 30 FGEDHN N#Cc1ccnc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000500060336 503542637 /nfs/dbraw/zinc/54/26/37/503542637.db2.gz PLBVMYRQPBNWNL-QFIPXVFZSA-N 0 3 360.461 3.082 20 30 FGEDHN C=CCn1c(C2CCC2)nnc1N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508728368 503552288 /nfs/dbraw/zinc/55/22/88/503552288.db2.gz ACZFMTUXKARWJH-CALCHBBNSA-N 0 3 373.545 3.057 20 30 FGEDHN C[C@H]1C[C@@H]1c1noc(CC2CCN(CCOc3ccc(C#N)cc3)CC2)n1 ZINC000593077632 506379289 /nfs/dbraw/zinc/37/92/89/506379289.db2.gz NMAGYLNCTQWYHC-KXBFYZLASA-N 0 3 366.465 3.398 20 30 FGEDHN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508863635 503581785 /nfs/dbraw/zinc/58/17/85/503581785.db2.gz KSSPFXQXARCIKQ-IBGZPJMESA-N 0 3 369.488 3.259 20 30 FGEDHN C[C@]1(c2ccccc2)CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000500229939 503583199 /nfs/dbraw/zinc/58/31/99/503583199.db2.gz NDQPZWRRZKKMSA-IRLDBZIGSA-N 0 3 350.462 3.352 20 30 FGEDHN CCc1cc(N2CCC(N[C@@H](C)c3ccc(C#N)cc3F)CC2)ncn1 ZINC000512624790 503598246 /nfs/dbraw/zinc/59/82/46/503598246.db2.gz KJHUEWHBPPNLGR-AWEZNQCLSA-N 0 3 353.445 3.369 20 30 FGEDHN COc1ccc(CNC(=O)C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000512668404 503608025 /nfs/dbraw/zinc/60/80/25/503608025.db2.gz LKYSRDIKHBWLCP-UHFFFAOYSA-N 0 3 363.461 3.095 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCOc2cccc(C)c2C)CC1 ZINC000494911814 503634495 /nfs/dbraw/zinc/63/44/95/503634495.db2.gz UNXBKYWYSZPZOA-UHFFFAOYSA-N 0 3 359.514 3.412 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](COC(F)F)C2)cc1Cl ZINC000512842596 503643934 /nfs/dbraw/zinc/64/39/34/503643934.db2.gz AZGWTWKWCZQJPS-NSHDSACASA-N 0 3 357.788 3.101 20 30 FGEDHN CS[C@H]1CN(c2cccc(Br)c2C#N)C[C@H]1N1CCCC1 ZINC000517063704 503652316 /nfs/dbraw/zinc/65/23/16/503652316.db2.gz NAZWQDRIHZWZSI-CVEARBPZSA-N 0 3 366.328 3.337 20 30 FGEDHN C=CC[C@H](CO)CNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000540325629 503737234 /nfs/dbraw/zinc/73/72/34/503737234.db2.gz RFWWZCKCMNLOSQ-LBPRGKRZSA-N 0 3 350.260 3.113 20 30 FGEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000540397997 503758451 /nfs/dbraw/zinc/75/84/51/503758451.db2.gz LLKPPBPLMHPRNG-CVEARBPZSA-N 0 3 351.512 3.238 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000527319652 503764034 /nfs/dbraw/zinc/76/40/34/503764034.db2.gz HSEQEVSCIMBGRK-NJDAHSKKSA-N 0 3 359.429 3.277 20 30 FGEDHN CS(=O)(=O)Nc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000517541986 503766943 /nfs/dbraw/zinc/76/69/43/503766943.db2.gz BXTPOVGSYWWIFX-UHFFFAOYSA-N 0 3 373.478 3.030 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530025738 503798083 /nfs/dbraw/zinc/79/80/83/503798083.db2.gz QYAVLIZGQHQJMQ-ICSRJNTNSA-N 0 3 355.482 3.095 20 30 FGEDHN CCN1CCN(Cc2ccc(NCc3ccc(C#N)cc3F)cc2)CC1 ZINC000533312302 503804315 /nfs/dbraw/zinc/80/43/15/503804315.db2.gz RECNIBHLUWPWAY-UHFFFAOYSA-N 0 3 352.457 3.447 20 30 FGEDHN COc1c(C)cnc(CN(C)C(=O)C(C#N)CCc2ccccc2)c1C ZINC000540560843 503817400 /nfs/dbraw/zinc/81/74/00/503817400.db2.gz BYAHHQFZIAMBCU-GOSISDBHSA-N 0 3 351.450 3.438 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000540590156 503825187 /nfs/dbraw/zinc/82/51/87/503825187.db2.gz BZOZUDDXCKYHGC-QAPCUYQASA-N 0 3 363.477 3.217 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000537168517 503826147 /nfs/dbraw/zinc/82/61/47/503826147.db2.gz XUHPRIOXFRMBDG-INIZCTEOSA-N 0 3 371.506 3.350 20 30 FGEDHN COc1cc(OC)cc(OCCCN(C)Cc2ccc(OC)c(C#N)c2)c1 ZINC000533538504 503880097 /nfs/dbraw/zinc/88/00/97/503880097.db2.gz CKBSZBXAOVEZSN-UHFFFAOYSA-N 0 3 370.449 3.485 20 30 FGEDHN CC1(C)C[C@@H](NC[C@H](O)COc2ccccc2C#N)c2ccc(F)cc2O1 ZINC000530230881 503883714 /nfs/dbraw/zinc/88/37/14/503883714.db2.gz CXYCFSBPBHMVNW-FUHWJXTLSA-N 0 3 370.424 3.329 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000530235089 503886185 /nfs/dbraw/zinc/88/61/85/503886185.db2.gz VHBOPAUVCKADQI-JJRVBVJISA-N 0 3 360.816 3.236 20 30 FGEDHN COCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543861611 503919488 /nfs/dbraw/zinc/91/94/88/503919488.db2.gz VRHZNUIFKPYXJD-IRXDYDNUSA-N 0 3 365.477 3.417 20 30 FGEDHN C=C(C)[C@H](CC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)OCC ZINC000533716144 503931930 /nfs/dbraw/zinc/93/19/30/503931930.db2.gz XCAICQPSDZEKPB-NRFANRHFSA-N 0 3 374.525 3.395 20 30 FGEDHN COc1ccc(CNCC(C)(C)C(=O)N2CCCC2)cc1OCCCC#N ZINC000527812049 503955985 /nfs/dbraw/zinc/95/59/85/503955985.db2.gz SUKZENGUQGUOHM-UHFFFAOYSA-N 0 3 373.497 3.116 20 30 FGEDHN Cc1nn(C)c(N2CCN(c3c(C)c(C)nc4ccccc43)CC2)c1C#N ZINC000530412602 503956270 /nfs/dbraw/zinc/95/62/70/503956270.db2.gz OJDDVQGJUKQEHC-UHFFFAOYSA-N 0 3 360.465 3.092 20 30 FGEDHN N#Cc1ccc(OCCN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000541055570 503989184 /nfs/dbraw/zinc/98/91/84/503989184.db2.gz UNHWNNQBSVXUBM-KRWDZBQOSA-N 0 3 361.239 3.023 20 30 FGEDHN C=C(C)[C@H](CC(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)OCC ZINC000534403211 504132589 /nfs/dbraw/zinc/13/25/89/504132589.db2.gz LVWUKLSKWKCXGP-FQEVSTJZSA-N 0 3 359.514 3.134 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNc1cc(C)nc(-c2ccccn2)n1)C(C)C ZINC000519220997 504168266 /nfs/dbraw/zinc/16/82/66/504168266.db2.gz CSSYLPFHFMYFNH-IBGZPJMESA-N 0 3 351.498 3.379 20 30 FGEDHN COc1ccccc1C[C@H]1CCCN1C[C@@H](O)COc1ccccc1C#N ZINC000528366239 504190108 /nfs/dbraw/zinc/19/01/08/504190108.db2.gz SUXJXLJCMZQEMR-WOJBJXKFSA-N 0 3 366.461 3.014 20 30 FGEDHN COc1ccc(C2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)cc1 ZINC000528391488 504203548 /nfs/dbraw/zinc/20/35/48/504203548.db2.gz AQCXEZHFMADIAV-HXUWFJFHSA-N 0 3 366.461 3.186 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000547837541 504243135 /nfs/dbraw/zinc/24/31/35/504243135.db2.gz NIMRTHUTJZQFNA-QFIPXVFZSA-N 0 3 361.445 3.408 20 30 FGEDHN N#CC1(CS(=O)(=O)NCC2(N3CCCCC3)CCCCC2)CCCC1 ZINC000544748831 504244450 /nfs/dbraw/zinc/24/44/50/504244450.db2.gz UKFLYMASAGHRFG-UHFFFAOYSA-N 0 3 367.559 3.179 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000528511199 504253577 /nfs/dbraw/zinc/25/35/77/504253577.db2.gz DRYFBGBXROPYBP-PKOBYXMFSA-N 0 3 372.852 3.105 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(CCOCC2)[C@@H]1C)C(C)C ZINC000541786674 504255249 /nfs/dbraw/zinc/25/52/49/504255249.db2.gz BNVICXBDZHWVBT-OALUTQOASA-N 0 3 363.546 3.286 20 30 FGEDHN COc1ccc([C@H](NCCOc2ccc(C#N)cc2OC)C2CC2)cn1 ZINC000528846755 504412383 /nfs/dbraw/zinc/41/23/83/504412383.db2.gz KGZVWDIZYIDISB-HXUWFJFHSA-N 0 3 353.422 3.090 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000545296820 504433408 /nfs/dbraw/zinc/43/34/08/504433408.db2.gz XWUONUIAPPVOSO-CRAIPNDOSA-N 0 3 364.449 3.351 20 30 FGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000528922391 504451127 /nfs/dbraw/zinc/45/11/27/504451127.db2.gz ZWMLGMCUTSSZBK-BCLHGEQCSA-N 0 3 352.793 3.186 20 30 FGEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1Br ZINC000528922831 504451365 /nfs/dbraw/zinc/45/13/65/504451365.db2.gz CAUPCQMGCLQAKN-AWEZNQCLSA-N 0 3 363.255 3.068 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528939068 504460692 /nfs/dbraw/zinc/46/06/92/504460692.db2.gz KLVGYCQLHBDRNL-KRWDZBQOSA-N 0 3 356.470 3.484 20 30 FGEDHN N#Cc1cccc(NC(=O)NCc2ccc(OCCN3CCCC3)cc2)c1 ZINC000520385508 504484808 /nfs/dbraw/zinc/48/48/08/504484808.db2.gz JDAKAYBFYPVVIU-UHFFFAOYSA-N 0 3 364.449 3.355 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCCOC1 ZINC000542577799 504544766 /nfs/dbraw/zinc/54/47/66/504544766.db2.gz NXECWTCIHLSFTA-PMPSAXMXSA-N 0 3 361.511 3.424 20 30 FGEDHN COCc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000529212431 504586745 /nfs/dbraw/zinc/58/67/45/504586745.db2.gz LORWADQQGFTFBI-WOJBJXKFSA-N 0 3 364.449 3.272 20 30 FGEDHN C=CCOc1cccc(CNCCN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000520953547 504615163 /nfs/dbraw/zinc/61/51/63/504615163.db2.gz NVCIQNVNZUXUFT-UHFFFAOYSA-N 0 3 369.484 3.302 20 30 FGEDHN C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)c(F)c1 ZINC000539603066 504622455 /nfs/dbraw/zinc/62/24/55/504622455.db2.gz YDEBDNGKORLLNQ-OXJNMPFZSA-N 0 3 353.441 3.249 20 30 FGEDHN CCO[C@H]1COCC[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000546058850 504693317 /nfs/dbraw/zinc/69/33/17/504693317.db2.gz CTQKHMLDLVZDRX-YADHBBJMSA-N 0 3 366.461 3.421 20 30 FGEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000532568725 504694727 /nfs/dbraw/zinc/69/47/27/504694727.db2.gz VQBKOYSGBXSFCK-FCHUYYIVSA-N 0 3 367.468 3.467 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCc2ccc(OC)cc2CC1 ZINC000536347523 504705456 /nfs/dbraw/zinc/70/54/56/504705456.db2.gz DWFICMBNPUFDAK-OAQYLSRUSA-N 0 3 367.489 3.264 20 30 FGEDHN C=C(C)COc1cc(CN2CCCC[C@H]2CN2CCOCC2)ccc1OC ZINC000539840905 504713474 /nfs/dbraw/zinc/71/34/74/504713474.db2.gz LAWPWSKXJUFETA-FQEVSTJZSA-N 0 3 374.525 3.337 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000543079452 504716011 /nfs/dbraw/zinc/71/60/11/504716011.db2.gz HUODDFAHDMDRNI-LSDHHAIUSA-N 0 3 365.433 3.413 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000532747212 504751214 /nfs/dbraw/zinc/75/12/14/504751214.db2.gz LMXDLYCWJMSLNJ-VZLAHBCRSA-N 0 3 361.530 3.054 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000553010796 504804391 /nfs/dbraw/zinc/80/43/91/504804391.db2.gz ZYBRPEUCRBKROA-RBUKOAKNSA-N 0 3 366.461 3.240 20 30 FGEDHN Cc1cccc(-c2n[nH]cc2CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000565307085 504849793 /nfs/dbraw/zinc/84/97/93/504849793.db2.gz IEWNBKJJLKWSQO-IBGZPJMESA-N 0 3 359.433 3.305 20 30 FGEDHN CC(C)OCc1ccccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000553199412 504850869 /nfs/dbraw/zinc/85/08/69/504850869.db2.gz AJEODUGWQKQMTA-FQEVSTJZSA-N 0 3 354.450 3.013 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000565651844 504949364 /nfs/dbraw/zinc/94/93/64/504949364.db2.gz OGIKTFVVHKJGLO-SIBVEZHUSA-N 0 3 369.490 3.095 20 30 FGEDHN N#Cc1ccc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)s1 ZINC000565743717 504974798 /nfs/dbraw/zinc/97/47/98/504974798.db2.gz NSLOLICOPLIRPO-IBGZPJMESA-N 0 3 366.534 3.012 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc(F)c(C#N)c1)C1CC1 ZINC000560118911 504997639 /nfs/dbraw/zinc/99/76/39/504997639.db2.gz HDSGJQGBMVJICN-HXUWFJFHSA-N 0 3 351.425 3.338 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000556976415 505036004 /nfs/dbraw/zinc/03/60/04/505036004.db2.gz GXDQJOOVYLIBTB-IFXJQAMLSA-N 0 3 353.853 3.462 20 30 FGEDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C12CCCC2 ZINC000565977058 505043457 /nfs/dbraw/zinc/04/34/57/505043457.db2.gz UYIVKLROKIWJOU-DLBZAZTESA-N 0 3 361.873 3.478 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000560318262 505044805 /nfs/dbraw/zinc/04/48/05/505044805.db2.gz JBHHAJXRACEPPQ-SJORKVTESA-N 0 3 372.465 3.380 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCn1nc(C)cc1C ZINC000553984053 505060696 /nfs/dbraw/zinc/06/06/96/505060696.db2.gz WZHKYYJGRYNJGY-UHFFFAOYSA-N 0 3 374.558 3.098 20 30 FGEDHN N#Cc1ccc(C(=O)CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000563324841 505108941 /nfs/dbraw/zinc/10/89/41/505108941.db2.gz ZZBRQQINEOEZNR-UHFFFAOYSA-N 0 3 361.445 3.157 20 30 FGEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)CCC(C)(C)C#N ZINC000550829364 505110052 /nfs/dbraw/zinc/11/00/52/505110052.db2.gz WOLRRCAVMSIRMX-UHFFFAOYSA-N 0 3 371.572 3.162 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(c4cccc(C(F)(F)F)c4)CC3)cnc12 ZINC000551058213 505149825 /nfs/dbraw/zinc/14/98/25/505149825.db2.gz FEPBZIJPPVLGNE-UHFFFAOYSA-N 0 3 371.366 3.441 20 30 FGEDHN N#C[C@@]1(C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC12CCCC2 ZINC000566403364 505165752 /nfs/dbraw/zinc/16/57/52/505165752.db2.gz LADLOYUUXPGGCC-JOCHJYFZSA-N 0 3 360.461 3.357 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(c3ccccn3)CC2)cc1 ZINC000563543585 505172245 /nfs/dbraw/zinc/17/22/45/505172245.db2.gz WNWKONLVLWCANK-GOSISDBHSA-N 0 3 362.408 3.123 20 30 FGEDHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1 ZINC000557624491 505185163 /nfs/dbraw/zinc/18/51/63/505185163.db2.gz ODGIWBWSVOZVHA-MRXNPFEDSA-N 0 3 359.817 3.417 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000551344906 505205384 /nfs/dbraw/zinc/20/53/84/505205384.db2.gz ZCGMLZBHWGTZJP-YLJYHZDGSA-N 0 3 362.477 3.387 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cnccc1OC ZINC000557757032 505222908 /nfs/dbraw/zinc/22/29/08/505222908.db2.gz PLGYSXNBEKSWEQ-UHFFFAOYSA-N 0 3 373.526 3.188 20 30 FGEDHN COc1ccc(COC[C@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000561137816 505260165 /nfs/dbraw/zinc/26/01/65/505260165.db2.gz MFJMCYXOJZHERG-DENIHFKCSA-N 0 3 366.461 3.112 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C#N)CCc1ccccc1 ZINC000561216049 505283315 /nfs/dbraw/zinc/28/33/15/505283315.db2.gz RGHDCGFCHUOFIE-GOSISDBHSA-N 0 3 352.434 3.449 20 30 FGEDHN CS[C@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@H]1N(C)C ZINC000566872724 505296833 /nfs/dbraw/zinc/29/68/33/505296833.db2.gz WSRGNCURCJJEHG-OLZOCXBDSA-N 0 3 374.735 3.456 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)N1[C@H](C)CC[C@@H]1C ZINC000561306578 505310247 /nfs/dbraw/zinc/31/02/47/505310247.db2.gz DVNYKEJBUFLIKY-XHSDSOJGSA-N 0 3 373.472 3.328 20 30 FGEDHN CC(C)N(CC(=O)N1CCCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000561377672 505330590 /nfs/dbraw/zinc/33/05/90/505330590.db2.gz ZCTOGONUXLZDFA-FQEVSTJZSA-N 0 3 369.509 3.399 20 30 FGEDHN C=CCNC(=O)CN[C@@H](Cc1ccc(Cl)cc1)Cc1ccc(CC)cn1 ZINC000564147126 505337526 /nfs/dbraw/zinc/33/75/26/505337526.db2.gz GAOOYGALFHNAKR-FQEVSTJZSA-N 0 3 371.912 3.343 20 30 FGEDHN Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)ccc1-n1cncn1 ZINC000567026671 505342871 /nfs/dbraw/zinc/34/28/71/505342871.db2.gz NRTVBFQXLXNHOD-UHFFFAOYSA-N 0 3 361.449 3.096 20 30 FGEDHN CN(C)C[C@H](CNC(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000552025625 505373808 /nfs/dbraw/zinc/37/38/08/505373808.db2.gz FEUPXRKIEPZSER-SFHVURJKSA-N 0 3 355.869 3.481 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cn(C)nc1-c1cccnc1 ZINC000564326983 505385590 /nfs/dbraw/zinc/38/55/90/505385590.db2.gz YWSWBYQURLYKSK-UHFFFAOYSA-N 0 3 361.449 3.002 20 30 FGEDHN C=CCn1c(COCC)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000564386174 505403403 /nfs/dbraw/zinc/40/34/03/505403403.db2.gz BNZYKSVUAWLZNS-SFHVURJKSA-N 0 3 369.513 3.101 20 30 FGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1C(C)C ZINC000555350530 505414981 /nfs/dbraw/zinc/41/49/81/505414981.db2.gz PDBPLSDRAGZKQA-UHFFFAOYSA-N 0 3 352.482 3.453 20 30 FGEDHN CC(C)(C)C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000561779044 505435551 /nfs/dbraw/zinc/43/55/51/505435551.db2.gz MRFOELSNJJKRDF-SFHVURJKSA-N 0 3 371.506 3.494 20 30 FGEDHN C[C@H]1C[C@H](NC2CCN(c3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000552277497 505448619 /nfs/dbraw/zinc/44/86/19/505448619.db2.gz WICPOCUBEJXPEN-JTSKRJEESA-N 0 3 374.488 3.311 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C(C)C)C2(CO)CCC2)c1 ZINC000564673375 505488504 /nfs/dbraw/zinc/48/85/04/505488504.db2.gz NETOOZLCUYNDRP-NRFANRHFSA-N 0 3 371.525 3.327 20 30 FGEDHN CC(C)[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CCCO1 ZINC000552444076 505493247 /nfs/dbraw/zinc/49/32/47/505493247.db2.gz PNTHQFRVLGGEGG-IBGZPJMESA-N 0 3 353.470 3.106 20 30 FGEDHN CC[C@H](CNC[C@@H](O)COc1ccc(C#N)cc1)Oc1ccccc1C ZINC000567682952 505535317 /nfs/dbraw/zinc/53/53/17/505535317.db2.gz CUVDRLJSCGFFJO-RTBURBONSA-N 0 3 354.450 3.054 20 30 FGEDHN C=CCOc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000552705435 505539285 /nfs/dbraw/zinc/53/92/85/505539285.db2.gz FSOTXRZXUXLJCZ-FQEVSTJZSA-N 0 3 365.477 3.175 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccccc1OC(F)F ZINC000599347237 506421136 /nfs/dbraw/zinc/42/11/36/506421136.db2.gz FFHQKTJHIBNAQQ-ZFWWWQNUSA-N 0 3 362.376 3.250 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1cccc(OC)c1 ZINC000612098304 506434043 /nfs/dbraw/zinc/43/40/43/506434043.db2.gz LCZJGLUHGRFREX-CTNGQTDRSA-N 0 3 372.513 3.413 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC#N)C2)N(C)C)cc1 ZINC000596608833 506487110 /nfs/dbraw/zinc/48/71/10/506487110.db2.gz KJGKKOVJUOGDDJ-CRAIPNDOSA-N 0 3 360.527 3.346 20 30 FGEDHN CCC(C#N)(CC)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000599537671 506490001 /nfs/dbraw/zinc/49/00/01/506490001.db2.gz INDTYBGFDQNPMQ-UHFFFAOYSA-N 0 3 371.485 3.171 20 30 FGEDHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000582968270 506515038 /nfs/dbraw/zinc/51/50/38/506515038.db2.gz PRDIYYLCUUNBIG-LIRRHRJNSA-N 0 3 374.529 3.417 20 30 FGEDHN COc1ccc([C@H](C)N(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000603464267 506521860 /nfs/dbraw/zinc/52/18/60/506521860.db2.gz SQYNKLCFVPCMKA-QFBILLFUSA-N 0 3 354.450 3.194 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCCc2ccc(C#N)cc2)c1 ZINC000596675122 506526688 /nfs/dbraw/zinc/52/66/88/506526688.db2.gz XGDZSKIHKBWSIB-UHFFFAOYSA-N 0 3 364.493 3.183 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599625760 506536979 /nfs/dbraw/zinc/53/69/79/506536979.db2.gz OJBXKCQUDWFULQ-FACIQBDNSA-N 0 3 361.511 3.421 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(C(F)(F)F)c1 ZINC000599629933 506540389 /nfs/dbraw/zinc/54/03/89/506540389.db2.gz JJBQSLBSPKZFBE-WBVHZDCISA-N 0 3 363.339 3.297 20 30 FGEDHN C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000612368935 506547209 /nfs/dbraw/zinc/54/72/09/506547209.db2.gz OVLSPEKIWNPWIX-XMSQKQJNSA-N 0 3 353.510 3.482 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3ccc(OC)cc23)CC1 ZINC000603534723 506548845 /nfs/dbraw/zinc/54/88/45/506548845.db2.gz QBTCRBWNXCYXKQ-UHFFFAOYSA-N 0 3 370.497 3.059 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000599662047 506564239 /nfs/dbraw/zinc/56/42/39/506564239.db2.gz XBFCSSHMXWGDBJ-UHFFFAOYSA-N 0 3 365.477 3.429 20 30 FGEDHN N#CCc1cccc2c1CCN(CCC(=O)Nc1cc(F)cc(F)c1)C2 ZINC000599676783 506572045 /nfs/dbraw/zinc/57/20/45/506572045.db2.gz GDZKUEBRQBECHQ-UHFFFAOYSA-N 0 3 355.388 3.418 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000596786257 506597765 /nfs/dbraw/zinc/59/77/65/506597765.db2.gz YXZIGNWZFIYMRL-IBGZPJMESA-N 0 3 366.440 3.478 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1F ZINC000596789898 506600303 /nfs/dbraw/zinc/60/03/03/506600303.db2.gz KLFDNIIBKRUFBL-UHFFFAOYSA-N 0 3 369.415 3.273 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000583121865 506600450 /nfs/dbraw/zinc/60/04/50/506600450.db2.gz FGAARTFYTRJAIN-HDMKZQKVSA-N 0 3 351.356 3.191 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000596829153 506623036 /nfs/dbraw/zinc/62/30/36/506623036.db2.gz JOGILPWFKATJTM-SFHVURJKSA-N 0 3 364.440 3.067 20 30 FGEDHN CN1CCC(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000589833224 506656686 /nfs/dbraw/zinc/65/66/86/506656686.db2.gz HHNYLIZEFXOCRZ-UHFFFAOYSA-N 0 3 350.422 3.416 20 30 FGEDHN CCCN(Cc1ccc(OC)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000603925929 506659670 /nfs/dbraw/zinc/65/96/70/506659670.db2.gz VZLZOXXPGNWPSB-LJQANCHMSA-N 0 3 354.450 3.219 20 30 FGEDHN Cc1ccc(OC[C@H](O)CN(C)CCOCc2ccc(C#N)cc2)c(C)c1 ZINC000583226576 506659978 /nfs/dbraw/zinc/65/99/78/506659978.db2.gz KDIUTLQDHBWADF-OAQYLSRUSA-N 0 3 368.477 3.063 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000596967599 506702928 /nfs/dbraw/zinc/70/29/28/506702928.db2.gz IHRRDVNRBHBIAJ-UHFFFAOYSA-N 0 3 371.431 3.473 20 30 FGEDHN CO[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000596975960 506707544 /nfs/dbraw/zinc/70/75/44/506707544.db2.gz YKPCFMGOOHJLHV-FQEVSTJZSA-N 0 3 357.498 3.044 20 30 FGEDHN COc1ccc(C[C@H](C)CN2CCN(c3cnccc3C#N)CC2)cc1F ZINC000590053277 506717437 /nfs/dbraw/zinc/71/74/37/506717437.db2.gz NKUOTJACRHSRFN-INIZCTEOSA-N 0 3 368.456 3.102 20 30 FGEDHN COC(=O)c1oc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)cc1C ZINC000597071694 506759091 /nfs/dbraw/zinc/75/90/91/506759091.db2.gz XCJCCGUHJLIRQU-UHFFFAOYSA-N 0 3 369.421 3.121 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](Nc1cccc(CN3CCC(C(N)=O)CC3)c1)CC2 ZINC000583410976 506763133 /nfs/dbraw/zinc/76/31/33/506763133.db2.gz ONPRYZHHVTYXAB-QFIPXVFZSA-N 0 3 374.488 3.355 20 30 FGEDHN Cc1nc2c(s1)[C@H](N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000583459405 506789915 /nfs/dbraw/zinc/78/99/15/506789915.db2.gz LGXOYNPTVZSRGB-MSOLQXFVSA-N 0 3 366.490 3.486 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000609157698 506797357 /nfs/dbraw/zinc/79/73/57/506797357.db2.gz PSGGGQRRUCWVQX-XZOQPEGZSA-N 0 3 361.489 3.256 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(F)(c3ccccc3F)C2)cc1 ZINC000590445928 506826044 /nfs/dbraw/zinc/82/60/44/506826044.db2.gz WNFKYQXNAFYFNM-INIZCTEOSA-N 0 3 351.356 3.087 20 30 FGEDHN CC(C)(C)Oc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000604436929 506831895 /nfs/dbraw/zinc/83/18/95/506831895.db2.gz XLWJUTHQYJNLJN-GOSISDBHSA-N 0 3 354.450 3.265 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCc3noc4ccccc43)CC2)cc1 ZINC000593935447 506835794 /nfs/dbraw/zinc/83/57/94/506835794.db2.gz XUTJUCJMJYFAGT-UHFFFAOYSA-N 0 3 360.461 3.450 20 30 FGEDHN CCc1nn(C)c(CC)c1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000597212951 506839157 /nfs/dbraw/zinc/83/91/57/506839157.db2.gz YIYDFDOHWQVYOX-UHFFFAOYSA-N 0 3 352.482 3.212 20 30 FGEDHN N#CCCC1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000583562284 506850069 /nfs/dbraw/zinc/85/00/69/506850069.db2.gz LFPWXBUDLZMONO-MRXNPFEDSA-N 0 3 356.388 3.461 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000593958415 506851040 /nfs/dbraw/zinc/85/10/40/506851040.db2.gz VZDGXNAOPURSOQ-QGZVFWFLSA-N 0 3 365.477 3.453 20 30 FGEDHN CC(C)OC(=O)C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000594047466 506905385 /nfs/dbraw/zinc/90/53/85/506905385.db2.gz XFLYKJVALAQCFA-MRXNPFEDSA-N 0 3 365.861 3.106 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594066222 506917715 /nfs/dbraw/zinc/91/77/15/506917715.db2.gz JLCXXNYMQUHRQU-HIFRSBDPSA-N 0 3 364.396 3.298 20 30 FGEDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000609546514 506917837 /nfs/dbraw/zinc/91/78/37/506917837.db2.gz TVYVOVXQZJZOCC-SJORKVTESA-N 0 3 350.466 3.439 20 30 FGEDHN CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597426019 506946872 /nfs/dbraw/zinc/94/68/72/506946872.db2.gz IWCFOZHXFWQPOD-UHFFFAOYSA-N 0 3 364.497 3.147 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2ccccc2CC1)C(C)C ZINC000604810015 506951394 /nfs/dbraw/zinc/95/13/94/506951394.db2.gz LSOCTANEGBMQAX-NRFANRHFSA-N 0 3 355.526 3.495 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000613206116 506967259 /nfs/dbraw/zinc/96/72/59/506967259.db2.gz OTEXHJQACUUHIK-PXNSSMCTSA-N 0 3 372.472 3.415 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594198944 507002483 /nfs/dbraw/zinc/00/24/83/507002483.db2.gz WBMSUTDINZZUQT-UXHICEINSA-N 0 3 355.482 3.240 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000597592367 507024382 /nfs/dbraw/zinc/02/43/82/507024382.db2.gz UWGURYYTRGXRID-OAHLLOKOSA-N 0 3 355.388 3.088 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000600614905 507034055 /nfs/dbraw/zinc/03/40/55/507034055.db2.gz LYTSEBMKYNJMDA-UCLAIMLFSA-N 0 3 351.356 3.191 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(c3ccccc3F)CC2)cc1 ZINC000609895427 507042348 /nfs/dbraw/zinc/04/23/48/507042348.db2.gz RLIHZRXIHMETAY-SFHVURJKSA-N 0 3 354.425 3.317 20 30 FGEDHN Cc1cn2c(nc(C)c2CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000597700897 507065996 /nfs/dbraw/zinc/06/59/96/507065996.db2.gz NQDUXSKZLQZYQA-MRXNPFEDSA-N 0 3 352.463 3.401 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)N(c2ccccc2)C2CCN(C)CC2)c1 ZINC000590978869 507069436 /nfs/dbraw/zinc/06/94/36/507069436.db2.gz XDHVWQPXDAOVLL-UHFFFAOYSA-N 0 3 362.477 3.365 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000600715930 507078065 /nfs/dbraw/zinc/07/80/65/507078065.db2.gz DRPDDNNPXYLQPR-XJKSGUPXSA-N 0 3 350.459 3.024 20 30 FGEDHN CC(C)[C@@H](NC[C@H](O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000600717106 507080243 /nfs/dbraw/zinc/08/02/43/507080243.db2.gz IJRMBPYOCLRECD-OXJNMPFZSA-N 0 3 364.449 3.161 20 30 FGEDHN C[C@H](CNC[C@H](O)COc1ccccc1C#N)Oc1ccccc1Cl ZINC000600722566 507081762 /nfs/dbraw/zinc/08/17/62/507081762.db2.gz HNZDOQBBUFZHMN-ZBFHGGJFSA-N 0 3 360.841 3.008 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(C(F)(F)F)CCCC2)cc1 ZINC000600756269 507102447 /nfs/dbraw/zinc/10/24/47/507102447.db2.gz GJKBNSLOKDXXOS-UHFFFAOYSA-N 0 3 360.401 3.044 20 30 FGEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000610134110 507112155 /nfs/dbraw/zinc/11/21/55/507112155.db2.gz GHFCBNBURQKDAT-OALUTQOASA-N 0 3 357.498 3.090 20 30 FGEDHN COc1ccc(C)cc1-c1csc(NC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594424526 507125890 /nfs/dbraw/zinc/12/58/90/507125890.db2.gz ARYCBBKJBUHRLX-AWEZNQCLSA-N 0 3 358.467 3.477 20 30 FGEDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[C@H](N)CCCCC#N ZINC000594428254 507127414 /nfs/dbraw/zinc/12/74/14/507127414.db2.gz KYRKFGUKFHHHJG-GOSISDBHSA-N 0 3 371.460 3.018 20 30 FGEDHN COc1ccccc1[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594434966 507130537 /nfs/dbraw/zinc/13/05/37/507130537.db2.gz XQPYNXZFJAZTQF-QUCCMNQESA-N 0 3 351.450 3.312 20 30 FGEDHN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594439287 507133398 /nfs/dbraw/zinc/13/33/98/507133398.db2.gz PKLCZIIMNTZTHS-OAHLLOKOSA-N 0 3 364.877 3.170 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000594439288 507133408 /nfs/dbraw/zinc/13/34/08/507133408.db2.gz PLBBCUJSNIJJCX-GOSISDBHSA-N 0 3 361.449 3.053 20 30 FGEDHN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594439286 507133532 /nfs/dbraw/zinc/13/35/32/507133532.db2.gz PKLCZIIMNTZTHS-HNNXBMFYSA-N 0 3 364.877 3.170 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000594441034 507135755 /nfs/dbraw/zinc/13/57/55/507135755.db2.gz LKCYHIIQPDIALR-INIZCTEOSA-N 0 3 369.494 3.056 20 30 FGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000594441953 507135949 /nfs/dbraw/zinc/13/59/49/507135949.db2.gz ZAFVWFIAHRXRSW-JXFKEZNVSA-N 0 3 366.465 3.249 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCN2C(C)(C)C)c1C#N ZINC000597858134 507137158 /nfs/dbraw/zinc/13/71/58/507137158.db2.gz KDNAVQWLYUSYSJ-CYBMUJFWSA-N 0 3 358.511 3.155 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1C#N ZINC000597858135 507137507 /nfs/dbraw/zinc/13/75/07/507137507.db2.gz KDNAVQWLYUSYSJ-ZDUSSCGKSA-N 0 3 358.511 3.155 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000594444952 507137710 /nfs/dbraw/zinc/13/77/10/507137710.db2.gz GNSHYUCQUYGMAQ-ZFWWWQNUSA-N 0 3 369.296 3.100 20 30 FGEDHN N#Cc1ccc(CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000597891987 507157726 /nfs/dbraw/zinc/15/77/26/507157726.db2.gz SJYXCPHJQQBZQM-FQEVSTJZSA-N 0 3 365.452 3.268 20 30 FGEDHN N#Cc1ccc(OCCNCc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000610271269 507169837 /nfs/dbraw/zinc/16/98/37/507169837.db2.gz FBXFSJQSYCUUGY-UHFFFAOYSA-N 0 3 362.332 3.057 20 30 FGEDHN N#CC1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CC2(CC2)C1 ZINC000601015202 507229563 /nfs/dbraw/zinc/22/95/63/507229563.db2.gz GWDDUSJHWYXNHP-UHFFFAOYSA-N 0 3 364.493 3.241 20 30 FGEDHN N#CC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC2(CC2)C1 ZINC000601030232 507233577 /nfs/dbraw/zinc/23/35/77/507233577.db2.gz IXPNJSHDBFQWSV-UHFFFAOYSA-N 0 3 351.494 3.237 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1sccc1C#N ZINC000610451859 507245721 /nfs/dbraw/zinc/24/57/21/507245721.db2.gz LDVKZDDKULMXJD-MRXNPFEDSA-N 0 3 368.506 3.155 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C12CCC2 ZINC000594719114 507251449 /nfs/dbraw/zinc/25/14/49/507251449.db2.gz XOHXEDANMNWJGM-CEXWTWQISA-N 0 3 367.493 3.379 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](n3ccnc3)C2)cc1Cl ZINC000610572759 507296290 /nfs/dbraw/zinc/29/62/90/507296290.db2.gz LFXYTUJRORADGJ-INIZCTEOSA-N 0 3 357.845 3.074 20 30 FGEDHN Cc1cc2ncn(C[C@@H](O)CN[C@H]3CCc4cc(C#N)ccc43)c2cc1C ZINC000591763880 507352003 /nfs/dbraw/zinc/35/20/03/507352003.db2.gz PDYRVOXMCOIDMH-ICSRJNTNSA-N 0 3 360.461 3.163 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)COCc1ccc(Cl)cc1 ZINC000591763910 507352935 /nfs/dbraw/zinc/35/29/35/507352935.db2.gz QMRAXEFQXOSTPI-ICSRJNTNSA-N 0 3 356.853 3.366 20 30 FGEDHN C[C@H](NCc1ccc(CN2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073197 507380224 /nfs/dbraw/zinc/38/02/24/507380224.db2.gz SYGVWVVBMGFWIZ-KXBFYZLASA-N 0 3 353.441 3.115 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000598341389 507384897 /nfs/dbraw/zinc/38/48/97/507384897.db2.gz AKXJSNYKTJUTCS-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000591833874 507385026 /nfs/dbraw/zinc/38/50/26/507385026.db2.gz KESSXGWXMAZEKE-CTNGQTDRSA-N 0 3 354.425 3.469 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000610774276 507385211 /nfs/dbraw/zinc/38/52/11/507385211.db2.gz FFFWAHASNRFAQG-LJQANCHMSA-N 0 3 366.440 3.113 20 30 FGEDHN N#CCc1ccccc1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000601575429 507391659 /nfs/dbraw/zinc/39/16/59/507391659.db2.gz PYERWIKYWSOVAK-HSZRJFAPSA-N 0 3 359.473 3.491 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCN(C4CCCCC4)CC3)o2)c1 ZINC000610822116 507402903 /nfs/dbraw/zinc/40/29/03/507402903.db2.gz JSLYVMLFXXEGKS-UHFFFAOYSA-N 0 3 351.454 3.059 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NCc2ccc(CC#N)cc2)N(C)C)cc1 ZINC000591928047 507415049 /nfs/dbraw/zinc/41/50/49/507415049.db2.gz HKELSJGWVQLZHA-FQEVSTJZSA-N 0 3 350.466 3.163 20 30 FGEDHN C[C@]1(C#N)CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000598416180 507415842 /nfs/dbraw/zinc/41/58/42/507415842.db2.gz RRJYVSBNOMXIRW-MSOLQXFVSA-N 0 3 365.399 3.203 20 30 FGEDHN CC(C)(C)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)c(=O)[nH]1 ZINC000601706060 507434965 /nfs/dbraw/zinc/43/49/65/507434965.db2.gz OFTOQYXTNOHQRQ-MRXNPFEDSA-N 0 3 351.450 3.473 20 30 FGEDHN Cc1ccc(C(=O)NC2CCN(CCc3ccc(C#N)cc3)CC2)s1 ZINC000595360691 507470798 /nfs/dbraw/zinc/47/07/98/507470798.db2.gz CYDFVUJLGRETBB-UHFFFAOYSA-N 0 3 353.491 3.365 20 30 FGEDHN CN(CCOc1ccc(Br)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598585385 507507193 /nfs/dbraw/zinc/50/71/93/507507193.db2.gz BVAANJRLOCNLFK-CQSZACIVSA-N 0 3 355.276 3.060 20 30 FGEDHN C=CCCSCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000595449566 507504138 /nfs/dbraw/zinc/50/41/38/507504138.db2.gz PZRFBFXBXKXVMM-UHFFFAOYSA-N 0 3 361.555 3.302 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)N2CC[C@](C)(C#N)C2)c2ccccc2)CC1 ZINC000595469271 507513548 /nfs/dbraw/zinc/51/35/48/507513548.db2.gz WGGAVDNAWMICNT-PZJWPPBQSA-N 0 3 354.498 3.405 20 30 FGEDHN COc1ccc(CN(CCc2ccccn2)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598610214 507517847 /nfs/dbraw/zinc/51/78/47/507517847.db2.gz GFUVWQAXCNEXNS-HXUWFJFHSA-N 0 3 367.493 3.436 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000598613510 507518053 /nfs/dbraw/zinc/51/80/53/507518053.db2.gz INXMDZPKGVEZKW-CABCVRRESA-N 0 3 352.276 3.186 20 30 FGEDHN CC(C)[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1(CO)CC=CC1 ZINC000592177109 507523825 /nfs/dbraw/zinc/52/38/25/507523825.db2.gz BPVZJQMIQRCNJV-GOSISDBHSA-N 0 3 352.438 3.051 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000606843821 507528538 /nfs/dbraw/zinc/52/85/38/507528538.db2.gz KASYBTIPTXYISN-HNNXBMFYSA-N 0 3 368.399 3.484 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595533500 507546131 /nfs/dbraw/zinc/54/61/31/507546131.db2.gz AMBGSTLGSRQGOK-MISYRCLQSA-N 0 3 354.498 3.232 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccccc2OC)CC1 ZINC000592296456 507598997 /nfs/dbraw/zinc/59/89/97/507598997.db2.gz IWPRWJMYNDZDJO-UHFFFAOYSA-N 0 3 359.514 3.313 20 30 FGEDHN CCc1cc(C#N)c(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)s1 ZINC000598806672 507611241 /nfs/dbraw/zinc/61/12/41/507611241.db2.gz BRKSVFPQNSVUBW-JQWIXIFHSA-N 0 3 362.373 3.105 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)N2CCC[C@H](CC#N)C2)CCC1 ZINC000595648607 507611607 /nfs/dbraw/zinc/61/16/07/507611607.db2.gz YAMKZJGQOGKWJD-LJQANCHMSA-N 0 3 354.498 3.376 20 30 FGEDHN CO[C@@]1(CO)CCCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595660165 507617249 /nfs/dbraw/zinc/61/72/49/507617249.db2.gz RMMMZZQVBKPPKF-QFIPXVFZSA-N 0 3 364.489 3.360 20 30 FGEDHN CNC(=O)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Cc1ccc(F)cc1C ZINC000592391598 507635022 /nfs/dbraw/zinc/63/50/22/507635022.db2.gz GHWFMNCVTCYDTH-YOEHRIQHSA-N 0 3 371.431 3.400 20 30 FGEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611395080 507661241 /nfs/dbraw/zinc/66/12/41/507661241.db2.gz KANISJPFDDSANX-VFNWGFHPSA-N 0 3 358.445 3.324 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(C#N)cc3C)CC2)c1C ZINC000586772995 507667342 /nfs/dbraw/zinc/66/73/42/507667342.db2.gz XSVSEBRNSQCRRA-UHFFFAOYSA-N 0 3 366.465 3.385 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(CO)CCCCC1 ZINC000611462872 507692286 /nfs/dbraw/zinc/69/22/86/507692286.db2.gz HRWBHVCKQUFXBM-HNNXBMFYSA-N 0 3 361.511 3.304 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H](c3ccccc3)C3(CO)CC=CC3)n2c1 ZINC000592531106 507698394 /nfs/dbraw/zinc/69/83/94/507698394.db2.gz XPDMVIXULRSQLB-OAQYLSRUSA-N 0 3 358.445 3.366 20 30 FGEDHN COc1ccccc1[C@H](CNc1cc(C#N)cc(C)n1)N1CCCCC1 ZINC000587363489 507709537 /nfs/dbraw/zinc/70/95/37/507709537.db2.gz KXBLPLYHXNMVJJ-IBGZPJMESA-N 0 3 350.466 3.331 20 30 FGEDHN COc1ccc(CN2CCC(CNc3cc(C#N)cc(C)n3)CC2)cc1 ZINC000587553667 507711617 /nfs/dbraw/zinc/71/16/17/507711617.db2.gz YGVKYXZHWLQAHF-UHFFFAOYSA-N 0 3 350.466 3.016 20 30 FGEDHN CCN(CCOc1ccccc1OC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000595888125 507729446 /nfs/dbraw/zinc/72/94/46/507729446.db2.gz QVSCQCRVIQHHCM-UHFFFAOYSA-N 0 3 367.449 3.296 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC1=CCSC1 ZINC000595895932 507732423 /nfs/dbraw/zinc/73/24/23/507732423.db2.gz WOQSPIFRKKJZNW-UHFFFAOYSA-N 0 3 361.536 3.432 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(C(F)(F)F)cn1 ZINC000602564736 507749258 /nfs/dbraw/zinc/74/92/58/507749258.db2.gz CIFXVLZMEJZLPX-ZDUSSCGKSA-N 0 3 357.376 3.168 20 30 FGEDHN C[C@@H]1CCCCN1CCOc1ccccc1C(=O)Nc1cccc(C#N)n1 ZINC000592661650 507751659 /nfs/dbraw/zinc/75/16/59/507751659.db2.gz KIJLIGFEZJNDOE-MRXNPFEDSA-N 0 3 364.449 3.459 20 30 FGEDHN CC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000736559060 598679543 /nfs/dbraw/zinc/67/95/43/598679543.db2.gz UGERNTNZADVVNV-CYBMUJFWSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000736559060 598679545 /nfs/dbraw/zinc/67/95/45/598679545.db2.gz UGERNTNZADVVNV-CYBMUJFWSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000736559060 598679547 /nfs/dbraw/zinc/67/95/47/598679547.db2.gz UGERNTNZADVVNV-CYBMUJFWSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000736559060 598679549 /nfs/dbraw/zinc/67/95/49/598679549.db2.gz UGERNTNZADVVNV-CYBMUJFWSA-N 0 3 350.401 3.461 20 30 FGEDHN N#Cc1ccc([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000739106335 600591485 /nfs/dbraw/zinc/59/14/85/600591485.db2.gz LHIMMRJZXZXHRY-OAQYLSRUSA-N 0 3 363.461 3.460 20 30 FGEDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722609 601043591 /nfs/dbraw/zinc/04/35/91/601043591.db2.gz FZRVWQOVGPQRTD-CTNGQTDRSA-N 0 3 363.461 3.138 20 30 FGEDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722609 601043593 /nfs/dbraw/zinc/04/35/93/601043593.db2.gz FZRVWQOVGPQRTD-CTNGQTDRSA-N 0 3 363.461 3.138 20 30 FGEDHN CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826930446 601300511 /nfs/dbraw/zinc/30/05/11/601300511.db2.gz PJNBEWPETDPTGW-FQEVSTJZSA-N 0 3 351.450 3.314 20 30 FGEDHN CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826930446 601300512 /nfs/dbraw/zinc/30/05/12/601300512.db2.gz PJNBEWPETDPTGW-FQEVSTJZSA-N 0 3 351.450 3.314 20 30 FGEDHN C[C@@H](CC[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000827412924 601348254 /nfs/dbraw/zinc/34/82/54/601348254.db2.gz VCOSWXAXXOEXSV-OXJNMPFZSA-N 0 3 351.450 3.184 20 30 FGEDHN C=C(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000819722475 606931836 /nfs/dbraw/zinc/93/18/36/606931836.db2.gz JMGJLBWGBXVGFV-UHFFFAOYSA-N 0 3 366.391 3.338 20 30 FGEDHN C=C(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000819722475 606931837 /nfs/dbraw/zinc/93/18/37/606931837.db2.gz JMGJLBWGBXVGFV-UHFFFAOYSA-N 0 3 366.391 3.338 20 30 FGEDHN C=CCC[C@@H](CC)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823894396 608287450 /nfs/dbraw/zinc/28/74/50/608287450.db2.gz PEXNAKDDCJDTAJ-KLAILNCOSA-N 0 3 356.474 3.286 20 30 FGEDHN C=CCC[C@@H](CC)[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823894396 608287452 /nfs/dbraw/zinc/28/74/52/608287452.db2.gz PEXNAKDDCJDTAJ-KLAILNCOSA-N 0 3 356.474 3.286 20 30 FGEDHN C=CCC[C@@H](CCC)[NH2+][C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823894544 609168364 /nfs/dbraw/zinc/16/83/64/609168364.db2.gz SSFMASMZNQSFRL-AEFFLSMTSA-N 0 3 368.485 3.087 20 30 FGEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000051534125 695913387 /nfs/dbraw/zinc/91/33/87/695913387.db2.gz UUGIIPFKPSAPCI-DGCLKSJQSA-N 0 3 369.475 3.296 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000097327567 700462295 /nfs/dbraw/zinc/46/22/95/700462295.db2.gz GQKRGNYWWMIMBN-UHFFFAOYSA-N 0 3 365.264 3.397 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000113651916 700573647 /nfs/dbraw/zinc/57/36/47/700573647.db2.gz SEKPORVLZBTQIO-DGCLKSJQSA-N 0 3 354.809 3.262 20 30 FGEDHN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000115904615 700588399 /nfs/dbraw/zinc/58/83/99/700588399.db2.gz HPXWFIQQELGALG-GFCCVEGCSA-N 0 3 359.172 3.221 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccnc2Br)CC1 ZINC000119609810 700634082 /nfs/dbraw/zinc/63/40/82/700634082.db2.gz IXUBKNBVVYCVPC-UHFFFAOYSA-N 0 3 353.264 3.006 20 30 FGEDHN N#CC(C(=O)Cn1ccc2ccc(Cl)cc21)C(=O)NC1CCCCC1 ZINC000121272387 700669108 /nfs/dbraw/zinc/66/91/08/700669108.db2.gz IVMONXCCGSJBRC-MRXNPFEDSA-N 0 3 357.841 3.452 20 30 FGEDHN N#CC(C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)NC1CC1 ZINC000121326662 700670084 /nfs/dbraw/zinc/67/00/84/700670084.db2.gz XCZJSPBVQWGNOX-GFCCVEGCSA-N 0 3 357.262 3.214 20 30 FGEDHN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124846127 700725953 /nfs/dbraw/zinc/72/59/53/700725953.db2.gz MQHXXDSJBXKYCD-ZYHUDNBSSA-N 0 3 355.221 3.092 20 30 FGEDHN Cc1noc(C)c1CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130156062 700796906 /nfs/dbraw/zinc/79/69/06/700796906.db2.gz ILTHYVOSGOHRMH-ZDUSSCGKSA-N 0 3 363.776 3.364 20 30 FGEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000173333367 705454563 /nfs/dbraw/zinc/45/45/63/705454563.db2.gz CIDIBMCZAHACDF-UHFFFAOYSA-N 0 3 355.404 3.192 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCc2csc(C)n2)c1 ZINC000175103130 705532753 /nfs/dbraw/zinc/53/27/53/705532753.db2.gz OJNPFHPLWVTSRC-MRXNPFEDSA-N 0 3 357.435 3.130 20 30 FGEDHN CC(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C ZINC000177601551 705629978 /nfs/dbraw/zinc/62/99/78/705629978.db2.gz IMVWDVAGIHOFAK-LLVKDONJSA-N 0 3 362.792 3.297 20 30 FGEDHN Cc1nc(Cl)sc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000177776977 705639539 /nfs/dbraw/zinc/63/95/39/705639539.db2.gz QAYMTOJXPNDMOA-UHFFFAOYSA-N 0 3 362.886 3.181 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccs2)n1 ZINC000193378502 712889178 /nfs/dbraw/zinc/88/91/78/712889178.db2.gz TYCPFKNUZYDVTH-CYBMUJFWSA-N 0 3 361.492 3.429 20 30 FGEDHN N#CC(C(=O)C[C@H]1CCCO1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193405512 712890231 /nfs/dbraw/zinc/89/02/31/712890231.db2.gz AFKWNMUMPCBQFP-DGCLKSJQSA-N 0 3 354.378 3.218 20 30 FGEDHN Cc1cc(Cl)cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1[O-] ZINC000375052458 713963114 /nfs/dbraw/zinc/96/31/14/713963114.db2.gz YSTJOGUYASEKED-UHFFFAOYSA-N 0 3 356.857 3.379 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnc(-c3ccccc3Cl)nc2)CC1 ZINC000651273135 718789553 /nfs/dbraw/zinc/78/95/53/718789553.db2.gz CDMDFDCHTCSPTA-UHFFFAOYSA-N 0 3 356.857 3.177 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000656985610 719534209 /nfs/dbraw/zinc/53/42/09/719534209.db2.gz WRVSNJLCZICYHR-ZDUSSCGKSA-N 0 3 368.275 3.230 20 30 FGEDHN C=CCCn1cc(CNCC2(c3cccc(Cl)c3)CCOCC2)nn1 ZINC000657325517 719625590 /nfs/dbraw/zinc/62/55/90/719625590.db2.gz JSFCDWHNQZVBKG-UHFFFAOYSA-N 0 3 360.889 3.346 20 30 FGEDHN C=CCCn1cc(CNCCc2c[nH]c3cccc(Br)c23)nn1 ZINC000657471190 719656793 /nfs/dbraw/zinc/65/67/93/719656793.db2.gz NYNROAXTBSVFGY-UHFFFAOYSA-N 0 3 374.286 3.430 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnn2C2CCOCC2)s1 ZINC000659114983 719859747 /nfs/dbraw/zinc/85/97/47/719859747.db2.gz KUZBZAOPFTZGOC-CYBMUJFWSA-N 0 3 358.467 3.479 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1Cl ZINC000783358056 724749031 /nfs/dbraw/zinc/74/90/31/724749031.db2.gz WWDWJAAUWYGQDB-GMXVVIOVSA-N 0 3 362.813 3.001 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C[C@@H](O)C2CC2)cc1OC ZINC000685460863 722386341 /nfs/dbraw/zinc/38/63/41/722386341.db2.gz FSIXRKKQFXVRPY-OAHLLOKOSA-N 0 3 370.287 3.225 20 30 FGEDHN C#CC[C@H](COC)NCc1cc(Br)cc(Br)c1 ZINC000716822609 722417203 /nfs/dbraw/zinc/41/72/03/722417203.db2.gz UXBVFUKAQIQGBR-CYBMUJFWSA-N 0 3 361.077 3.340 20 30 FGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000729942070 722463629 /nfs/dbraw/zinc/46/36/29/722463629.db2.gz IBQBDZSJCBUELD-UHFFFAOYSA-N 0 3 369.437 3.335 20 30 FGEDHN CC1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)CO1 ZINC000734485128 722507835 /nfs/dbraw/zinc/50/78/35/722507835.db2.gz AURILVVLLNMXFN-ZDUSSCGKSA-N 0 3 357.479 3.362 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=S)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000743827892 722571630 /nfs/dbraw/zinc/57/16/30/722571630.db2.gz SBGMNNILDULHBQ-APWZRJJASA-N 0 3 358.555 3.375 20 30 FGEDHN C=CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccncc1 ZINC000749130050 722716967 /nfs/dbraw/zinc/71/69/67/722716967.db2.gz VPXDJABDINXSMC-HNAYVOBHSA-N 0 3 359.495 3.300 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000751153998 722796529 /nfs/dbraw/zinc/79/65/29/722796529.db2.gz SKFNOQSTPBGIGC-ZDUSSCGKSA-N 0 3 353.293 3.386 20 30 FGEDHN C[C@H](O)C[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000790438561 723140183 /nfs/dbraw/zinc/14/01/83/723140183.db2.gz WJOXPYFTPDUBAQ-ZNMIVQPWSA-N 0 3 357.479 3.098 20 30 FGEDHN C[C@@](O)(C1CCN(CCCOc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000767896107 723638564 /nfs/dbraw/zinc/63/85/64/723638564.db2.gz DTDUBODTDUUSPM-QGZVFWFLSA-N 0 3 356.388 3.352 20 30 FGEDHN N#CC(C(=O)Cc1ccco1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000772643516 723764690 /nfs/dbraw/zinc/76/46/90/723764690.db2.gz AZUFWZIXYRCTPX-CYBMUJFWSA-N 0 3 350.346 3.484 20 30 FGEDHN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(N(C)C)cc1 ZINC000774480944 723898850 /nfs/dbraw/zinc/89/88/50/723898850.db2.gz GJLXIRUCUIJOJX-DYVFJYSZSA-N 0 3 354.479 3.142 20 30 FGEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1Br ZINC000777450013 724227605 /nfs/dbraw/zinc/22/76/05/724227605.db2.gz JQNKADLEOBOUSN-UHFFFAOYSA-N 0 3 364.203 3.264 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2CCc3ccccc3OC2)c(C#N)c1C ZINC000801576371 724315740 /nfs/dbraw/zinc/31/57/40/724315740.db2.gz ZMJPTLZKHWTEAX-OAHLLOKOSA-N 0 3 355.463 3.159 20 30 FGEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000805854534 725100715 /nfs/dbraw/zinc/10/07/15/725100715.db2.gz XANGTONKIPIMHN-MMWSSPAHSA-N 0 3 368.405 3.464 20 30 FGEDHN N#CC(C(=O)CCc1ncccn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000813059899 726834591 /nfs/dbraw/zinc/83/45/91/726834591.db2.gz KPBFIXHHCHWGNK-CYBMUJFWSA-N 0 3 363.204 3.064 20 30 FGEDHN CC(C)N1C(=O)C[C@H](NCCOCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000815102459 727038473 /nfs/dbraw/zinc/03/84/73/727038473.db2.gz PBXYWPXTJFZUSQ-WMZOPIPTSA-N 0 3 367.852 3.049 20 30 FGEDHN N#CC(C(=O)Cc1cscc1Br)C(=O)NC1CCCCC1 ZINC000815906674 727106153 /nfs/dbraw/zinc/10/61/53/727106153.db2.gz GHDDJLUGMWIARH-LBPRGKRZSA-N 0 3 369.284 3.211 20 30 FGEDHN COc1ccc(CNC[C@@H](O)COc2cc(C)ccc2Cl)cc1C#N ZINC000819182024 727355582 /nfs/dbraw/zinc/35/55/82/727355582.db2.gz GPVOACGEVSTCDJ-MRXNPFEDSA-N 0 3 360.841 3.058 20 30 FGEDHN C#CCCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000823949506 729313508 /nfs/dbraw/zinc/31/35/08/729313508.db2.gz JNVMBIIWINOZDH-UHFFFAOYSA-N 0 3 366.248 3.469 20 30 FGEDHN N#CC(C(=O)C[C@H]1CSc2ccccc2O1)C(=O)NC1CCCCC1 ZINC000835062437 729854480 /nfs/dbraw/zinc/85/44/80/729854480.db2.gz UKUWALLCCZDLFH-GJZGRUSLSA-N 0 3 358.463 3.088 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSC(F)F ZINC000835063172 729854830 /nfs/dbraw/zinc/85/48/30/729854830.db2.gz HZTVFPHTZVSNGA-MRVPVSSYSA-N 0 3 362.785 3.260 20 30 FGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000835340733 729880076 /nfs/dbraw/zinc/88/00/76/729880076.db2.gz PHTHPSWJRCNPBR-XJKSGUPXSA-N 0 3 353.249 3.328 20 30 FGEDHN COCCN(C(=O)OC(C)(C)C)C1CCN(CCC(C)(C)C#N)CC1 ZINC000844354939 730706167 /nfs/dbraw/zinc/70/61/67/730706167.db2.gz WYDMMBNZWMLHTP-UHFFFAOYSA-N 0 3 353.507 3.274 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1ccnc1 ZINC000845442323 730850347 /nfs/dbraw/zinc/85/03/47/730850347.db2.gz DXOHCCSPMBJTES-IINYFYTJSA-N 0 3 365.220 3.489 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1ccnc1 ZINC000845442326 730850453 /nfs/dbraw/zinc/85/04/53/730850453.db2.gz DXOHCCSPMBJTES-YGRLFVJLSA-N 0 3 365.220 3.489 20 30 FGEDHN CC(=O)C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000846953280 730998804 /nfs/dbraw/zinc/99/88/04/730998804.db2.gz WYKRMWZBFUXWBN-UHFFFAOYSA-N 0 3 359.495 3.128 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000848398157 731160655 /nfs/dbraw/zinc/16/06/55/731160655.db2.gz DKZHNYADSGDIOX-ROUUACIJSA-N 0 3 363.889 3.023 20 30 FGEDHN CCN(C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554327 732038321 /nfs/dbraw/zinc/03/83/21/732038321.db2.gz QZWBHDXEVNROBU-QGZVFWFLSA-N 0 3 356.495 3.120 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000858403918 732211460 /nfs/dbraw/zinc/21/14/60/732211460.db2.gz LAKCVENZGFGKJV-IAGOWNOFSA-N 0 3 357.516 3.419 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000876619786 736122820 /nfs/dbraw/zinc/12/28/20/736122820.db2.gz FQGKPDMAQUVDST-QGZVFWFLSA-N 0 3 360.889 3.226 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000876618605 736122876 /nfs/dbraw/zinc/12/28/76/736122876.db2.gz ZWCKGGGOJPIUQJ-GXFFZTMASA-N 0 3 350.768 3.275 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000876646281 736126167 /nfs/dbraw/zinc/12/61/67/736126167.db2.gz SXQPFZSTWOEQOR-HNNXBMFYSA-N 0 3 352.862 3.103 20 30 FGEDHN Cc1cc([C@H](N)CC(=O)N(C)CCc2cccc(C#N)c2)cc(Cl)n1 ZINC000877224353 736199594 /nfs/dbraw/zinc/19/95/94/736199594.db2.gz WRRCRQSILQWFBY-QGZVFWFLSA-N 0 3 356.857 3.006 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccccc1SCC(F)(F)F)C2 ZINC000884065665 737630459 /nfs/dbraw/zinc/63/04/59/737630459.db2.gz VXEMWIDVMKORCR-BGMSHATGSA-N 0 3 369.412 3.419 20 30 FGEDHN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884110254 737634559 /nfs/dbraw/zinc/63/45/59/737634559.db2.gz DLDDWNOEEOQUHM-BTTVTARESA-N 0 3 366.292 3.180 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)C2 ZINC000884151486 737638205 /nfs/dbraw/zinc/63/82/05/737638205.db2.gz NVTLUVPSMKLEGU-BXJLINQZSA-N 0 3 371.790 3.199 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C2 ZINC000884315008 737654059 /nfs/dbraw/zinc/65/40/59/737654059.db2.gz DDGJPKUTGRPHSU-MAXPVNGDSA-N 0 3 355.772 3.019 20 30 FGEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884322921 737655317 /nfs/dbraw/zinc/65/53/17/737655317.db2.gz YWTMDNIXYNFUNB-XNDRKVBMSA-N 0 3 360.527 3.234 20 30 FGEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884322920 737655458 /nfs/dbraw/zinc/65/54/58/737655458.db2.gz YWTMDNIXYNFUNB-RQMAVPSVSA-N 0 3 360.527 3.234 20 30 FGEDHN COC(=O)c1cncc([C@@H](C)NCCSCc2ccccc2C#N)c1 ZINC000886514495 739264133 /nfs/dbraw/zinc/26/41/33/739264133.db2.gz QZUJGKWLMWMCON-CQSZACIVSA-N 0 3 355.463 3.324 20 30 FGEDHN C#CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)C1CCN(C)CC1 ZINC000886580853 739271982 /nfs/dbraw/zinc/27/19/82/739271982.db2.gz AEIYVKYEUGGQBB-UHFFFAOYSA-N 0 3 353.491 3.288 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CCc2sccc2C1=O)C(=O)NC1CCCCC1 ZINC000892491838 740006218 /nfs/dbraw/zinc/00/62/18/740006218.db2.gz NZVOBAKOYBQAQU-SWLSCSKDSA-N 0 3 358.463 3.041 20 30 FGEDHN CCO/C=C\[C@@](O)(CNCc1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000895717940 742446349 /nfs/dbraw/zinc/44/63/49/742446349.db2.gz OTIYXSRIEVGTJO-DOOKAGJSSA-N 0 3 356.388 3.421 20 30 FGEDHN N#Cc1cc(F)c(NC[C@@H]2CCN2C2CCOCC2)cc1Br ZINC000896522081 742561457 /nfs/dbraw/zinc/56/14/57/742561457.db2.gz GVQSBIURSCERCE-ZDUSSCGKSA-N 0 3 368.250 3.125 20 30 FGEDHN C#CCN(C(=S)Nc1ccc(OC)c(Cl)c1)C1CCN(C)CC1 ZINC000899613904 742988148 /nfs/dbraw/zinc/98/81/48/742988148.db2.gz SVAXJBNCMYNUKU-UHFFFAOYSA-N 0 3 351.903 3.075 20 30 FGEDHN N#Cc1csc(CN[C@H]2CCCN(C(=O)Oc3ccccc3)CC2)n1 ZINC000903262392 743831585 /nfs/dbraw/zinc/83/15/85/743831585.db2.gz DUKWMQDOYGFYNG-AWEZNQCLSA-N 0 3 356.451 3.158 20 30 FGEDHN C=CCOc1ccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1Cl ZINC000904061374 743922298 /nfs/dbraw/zinc/92/22/98/743922298.db2.gz NAWLLGIBNSARGQ-UHFFFAOYSA-N 0 3 366.889 3.324 20 30 FGEDHN N#Cc1cccc([C@H](NC(=O)[C@@H]2CC[C@H]3CCCCN32)C(F)(F)F)c1 ZINC000913782082 757588385 /nfs/dbraw/zinc/58/83/85/757588385.db2.gz JLGVKOZBTBESRZ-PMPSAXMXSA-N 0 3 351.372 3.295 20 30 FGEDHN S=C(NN=Cc1cccs1)NC1CCN(Cc2ccccc2)CC1 ZINC000916307117 758068201 /nfs/dbraw/zinc/06/82/01/758068201.db2.gz ROWTVXQAPWBLFS-UHFFFAOYSA-N 0 3 358.536 3.211 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(C)c1 ZINC000916875600 758149414 /nfs/dbraw/zinc/14/94/14/758149414.db2.gz FGIUDIUAPCVAHS-OAHLLOKOSA-N 0 3 350.846 3.433 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000916878498 758149711 /nfs/dbraw/zinc/14/97/11/758149711.db2.gz YWQVPRLQACPHRI-UKRRQHHQSA-N 0 3 350.846 3.431 20 30 FGEDHN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000916909450 758153934 /nfs/dbraw/zinc/15/39/34/758153934.db2.gz BNUAUQQUXACQQY-ZIAGYGMSSA-N 0 3 358.829 3.452 20 30 FGEDHN COc1ccc(C2(C(=O)C(C#N)c3nc(C)cs3)CCOCC2)cc1 ZINC000920323085 758536298 /nfs/dbraw/zinc/53/62/98/758536298.db2.gz ZMWYPFPEYXTGES-INIZCTEOSA-N 0 3 356.447 3.385 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000921075450 758643639 /nfs/dbraw/zinc/64/36/39/758643639.db2.gz YDMHAJJTFXVGAL-MRXNPFEDSA-N 0 3 366.303 3.031 20 30 FGEDHN C=CCN1CCC(NC(=O)C(F)(F)c2cc(Cl)ccc2OC)CC1 ZINC000932140421 761066538 /nfs/dbraw/zinc/06/65/38/761066538.db2.gz BAMGZVOFBCBRQO-UHFFFAOYSA-N 0 3 358.816 3.207 20 30 FGEDHN C[C@H](O)CCCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945035 761281681 /nfs/dbraw/zinc/28/16/81/761281681.db2.gz PVRVDFIJHTYPHG-DJLDLDEBSA-N 0 3 355.269 3.250 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCc2c(C)cccc2Cl)C1 ZINC000968719219 762841677 /nfs/dbraw/zinc/84/16/77/762841677.db2.gz MUBBLAYTGNKAAP-MDZRGWNJSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC000969691031 762860800 /nfs/dbraw/zinc/86/08/00/762860800.db2.gz FBKBRVVUMFJFNI-KYNGSXCRSA-N 0 3 362.539 3.283 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC000970559755 762879561 /nfs/dbraw/zinc/87/95/61/762879561.db2.gz DVDTWLPHFSYOFQ-CCKFTAQKSA-N 0 3 362.539 3.283 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC000990734996 764559542 /nfs/dbraw/zinc/55/95/42/764559542.db2.gz BOJMPXSDLZVYCI-WBTNSWJXSA-N 0 3 360.420 3.033 20 30 FGEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000996728056 765025678 /nfs/dbraw/zinc/02/56/78/765025678.db2.gz TZSWMINTXRSZIR-LSDHHAIUSA-N 0 3 369.328 3.341 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC000997793488 765083810 /nfs/dbraw/zinc/08/38/10/765083810.db2.gz KNOGBJPLMBDFJV-BPUTZDHNSA-N 0 3 362.436 3.137 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001020726926 765887991 /nfs/dbraw/zinc/88/79/91/765887991.db2.gz ZACYFUPZAKUDEJ-OVWQWFNUSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC001022737108 766020150 /nfs/dbraw/zinc/02/01/50/766020150.db2.gz PABWCHJNKCLQQX-DLTWYDFYSA-N 0 3 369.292 3.321 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2c(C)cccc2Cl)C1 ZINC001028810160 766133407 /nfs/dbraw/zinc/13/34/07/766133407.db2.gz YEMQZRFJJLHDTJ-FCEWJHQRSA-N 0 3 362.901 3.178 20 30 FGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001032409923 766196379 /nfs/dbraw/zinc/19/63/79/766196379.db2.gz HEHRRYQBAAHTQH-FDWJRUBYSA-N 0 3 356.432 3.462 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCN(CC(=C)Cl)C2)CC1 ZINC001039130986 766291557 /nfs/dbraw/zinc/29/15/57/766291557.db2.gz CJYFZEHUBGPLOY-QRVBRYPASA-N 0 3 366.933 3.281 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001040706168 766318994 /nfs/dbraw/zinc/31/89/94/766318994.db2.gz NPTFGMOQYAOUFV-KSZLIROESA-N 0 3 352.494 3.030 20 30 FGEDHN C=CCOc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1OC ZINC000025382453 210161817 /nfs/dbraw/zinc/16/18/17/210161817.db2.gz DTCUJTMWVUWMHJ-IBGZPJMESA-N 0 3 368.477 3.163 20 30 FGEDHN C=CCCOCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000533800798 503954095 /nfs/dbraw/zinc/95/40/95/503954095.db2.gz USOLTGMDQXIUEJ-KRWDZBQOSA-N 0 3 365.543 3.413 20 30 FGEDHN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000576703002 505574421 /nfs/dbraw/zinc/57/44/21/505574421.db2.gz HVQREYMRQZNBHH-INIZCTEOSA-N 0 3 374.558 3.130 20 30 FGEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000573609360 505577497 /nfs/dbraw/zinc/57/74/97/505577497.db2.gz DDQXMABITFVFFW-INIZCTEOSA-N 0 3 352.413 3.341 20 30 FGEDHN COc1ccccc1-c1ccc([C@H](C)NC[C@@H](O)CN(C)CCC#N)cc1 ZINC000579702588 505605068 /nfs/dbraw/zinc/60/50/68/505605068.db2.gz YELLOHHSAFRGLV-FXAWDEMLSA-N 0 3 367.493 3.219 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H](c2ccccc2)C2CC2)c1 ZINC000568078579 505611045 /nfs/dbraw/zinc/61/10/45/505611045.db2.gz XFFMHGWUJNOILJ-HXUWFJFHSA-N 0 3 354.475 3.115 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H]2OCC)cc1OC ZINC000568171025 505633620 /nfs/dbraw/zinc/63/36/20/505633620.db2.gz MKIBPLABTFTIKP-KBPBESRZSA-N 0 3 356.260 3.290 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC000573924044 505652247 /nfs/dbraw/zinc/65/22/47/505652247.db2.gz PUBNHOXGCGEQAS-HXUWFJFHSA-N 0 3 371.431 3.256 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000579978519 505656388 /nfs/dbraw/zinc/65/63/88/505656388.db2.gz ZENAPFBSJYVHFW-IBGZPJMESA-N 0 3 373.545 3.060 20 30 FGEDHN COC(=O)c1ccc(NC[C@H](c2ccc(Cl)cc2)N(C)C)c(C#N)n1 ZINC000580096163 505676077 /nfs/dbraw/zinc/67/60/77/505676077.db2.gz VVTPHLXLIQFTEW-QGZVFWFLSA-N 0 3 358.829 3.108 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)[C@H]1Oc1ccccc1 ZINC000571210397 505680471 /nfs/dbraw/zinc/68/04/71/505680471.db2.gz DXVYHHDTSIFOOO-CEWLAPEOSA-N 0 3 352.434 3.281 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN(CC)CC1CCN(c2ccccn2)CC1 ZINC000076108679 493822718 /nfs/dbraw/zinc/82/27/18/493822718.db2.gz ZGESRPNCPPMFGQ-UHFFFAOYSA-N 0 3 358.530 3.045 20 30 FGEDHN COc1ccccc1COC[C@@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000058397077 493848970 /nfs/dbraw/zinc/84/89/70/493848970.db2.gz AIWCFOUNYIYVKX-NRFANRHFSA-N 0 3 368.477 3.355 20 30 FGEDHN CC[C@@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000048981810 493855596 /nfs/dbraw/zinc/85/55/96/493855596.db2.gz SWMSUZGTKPKXGV-NRFANRHFSA-N 0 3 362.477 3.194 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCC(C)CC1 ZINC000068884400 493888336 /nfs/dbraw/zinc/88/83/36/493888336.db2.gz OGWNTDFNUHWKKI-UHFFFAOYSA-N 0 3 360.458 3.024 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000068884396 493888424 /nfs/dbraw/zinc/88/84/24/493888424.db2.gz GXZNXRDOSCRJND-IRXDYDNUSA-N 0 3 374.485 3.413 20 30 FGEDHN N#CCCN(C(=O)CN1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000049981824 493888826 /nfs/dbraw/zinc/88/88/26/493888826.db2.gz CHQYKBJEYKJNQS-UHFFFAOYSA-N 0 3 368.525 3.131 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000068885041 493888829 /nfs/dbraw/zinc/88/88/29/493888829.db2.gz MEZGUPPDVCUZOZ-IAGOWNOFSA-N 0 3 374.485 3.413 20 30 FGEDHN COc1ccccc1[C@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000069085711 493918562 /nfs/dbraw/zinc/91/85/62/493918562.db2.gz ADZVEXKPNDMKER-FXAWDEMLSA-N 0 3 352.434 3.144 20 30 FGEDHN CC(C)N1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000069083607 493918936 /nfs/dbraw/zinc/91/89/36/493918936.db2.gz RQQLDBBBJSKVSN-UHFFFAOYSA-N 0 3 374.554 3.243 20 30 FGEDHN C#CCN1CCC(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)CC1 ZINC000081713524 493945216 /nfs/dbraw/zinc/94/52/16/493945216.db2.gz PPCDVMDMXBRZGL-UHFFFAOYSA-N 0 3 367.518 3.122 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CCC(C#N)CC1)c1cccc(OC)c1 ZINC000060978143 493961355 /nfs/dbraw/zinc/96/13/55/493961355.db2.gz BCCQDZKUVRBHIA-LJQANCHMSA-N 0 3 358.486 3.023 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000031957852 493967311 /nfs/dbraw/zinc/96/73/11/493967311.db2.gz OBYMQKNKBMJELR-UHFFFAOYSA-N 0 3 360.523 3.343 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCN(C3CCCC3)CC2)c1C ZINC000051685356 493981998 /nfs/dbraw/zinc/98/19/98/493981998.db2.gz VOBYLPPLOXNODJ-UHFFFAOYSA-N 0 3 368.525 3.110 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)CC1 ZINC000069703817 493999860 /nfs/dbraw/zinc/99/98/60/493999860.db2.gz TVOVMFBTFFEUDD-UHFFFAOYSA-N 0 3 370.472 3.399 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000063401892 494051645 /nfs/dbraw/zinc/05/16/45/494051645.db2.gz CIOBWJMXENGUQX-QZTJIDSGSA-N 0 3 354.498 3.376 20 30 FGEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000063484554 494059052 /nfs/dbraw/zinc/05/90/52/494059052.db2.gz DHPTXXIGWHISGL-UHFFFAOYSA-N 0 3 351.406 3.138 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)N(CCN(C)C)C1CCCC1 ZINC000053153034 494098310 /nfs/dbraw/zinc/09/83/10/494098310.db2.gz IRANPMONKSVVDK-UHFFFAOYSA-N 0 3 373.497 3.059 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000064960298 494162463 /nfs/dbraw/zinc/16/24/63/494162463.db2.gz KIAHRFGTWRLVFK-ZDUSSCGKSA-N 0 3 369.918 3.000 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000010917436 494165130 /nfs/dbraw/zinc/16/51/30/494165130.db2.gz QQRCALGYLKYVHO-FQEVSTJZSA-N 0 3 351.450 3.380 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000072663825 494228767 /nfs/dbraw/zinc/22/87/67/494228767.db2.gz MUZLECXYWMHWOJ-UHFFFAOYSA-N 0 3 355.482 3.052 20 30 FGEDHN Cc1cccc(C)c1NC(=O)CNCc1ccc(N(C)CCC#N)cc1 ZINC000072670215 494230288 /nfs/dbraw/zinc/23/02/88/494230288.db2.gz CIIXHMSUJXTLNX-UHFFFAOYSA-N 0 3 350.466 3.382 20 30 FGEDHN CCOc1ccc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931304 494258241 /nfs/dbraw/zinc/25/82/41/494258241.db2.gz XGASAUBIAOBXDT-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN N#Cc1cnc2ccc(Cl)cc2c1N1CCN(CC2CCOCC2)CC1 ZINC000078293101 494271254 /nfs/dbraw/zinc/27/12/54/494271254.db2.gz PRDNHIQKHOYISH-UHFFFAOYSA-N 0 3 370.884 3.308 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000055157087 494308102 /nfs/dbraw/zinc/30/81/02/494308102.db2.gz YVLYXKANPIYWEA-UXHICEINSA-N 0 3 354.425 3.144 20 30 FGEDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000043644237 494309301 /nfs/dbraw/zinc/30/93/01/494309301.db2.gz XSJPBTAPHPYIAP-MRXNPFEDSA-N 0 3 364.367 3.449 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCN1CCCC1 ZINC000089900219 494397231 /nfs/dbraw/zinc/39/72/31/494397231.db2.gz IIBHUQYTYVIPSD-INIZCTEOSA-N 0 3 360.527 3.047 20 30 FGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1c(Cl)ccc2cccnc21 ZINC000089943315 494408588 /nfs/dbraw/zinc/40/85/88/494408588.db2.gz KXWIVTLVQKWVAK-UHFFFAOYSA-N 0 3 354.845 3.130 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000079171575 494413208 /nfs/dbraw/zinc/41/32/08/494413208.db2.gz QCJNWAYEVTYRNE-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000079304143 494432961 /nfs/dbraw/zinc/43/29/61/494432961.db2.gz DPJGHKWBXZKOKH-HOTGVXAUSA-N 0 3 372.513 3.434 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(Oc3ccccc3)cn2)CC1 ZINC000091048726 494519195 /nfs/dbraw/zinc/51/91/95/494519195.db2.gz LNRWPSKJBCPPOX-UHFFFAOYSA-N 0 3 352.438 3.039 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067384800 494528639 /nfs/dbraw/zinc/52/86/39/494528639.db2.gz MGGFUCBEGKFEFN-MRXNPFEDSA-N 0 3 351.410 3.186 20 30 FGEDHN CCOC(=O)CC[C@@H](O)CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000580304791 505728192 /nfs/dbraw/zinc/72/81/92/505728192.db2.gz YFLCDZBOGCQPSJ-LJQANCHMSA-N 0 3 352.434 3.019 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000121098619 494595109 /nfs/dbraw/zinc/59/51/09/494595109.db2.gz XHIRUAMOMWKVHQ-QUCCMNQESA-N 0 3 355.482 3.048 20 30 FGEDHN COc1ccc(C)cc1[C@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000024099494 494605862 /nfs/dbraw/zinc/60/58/62/494605862.db2.gz DOANMJGCCFTNPN-WMZOPIPTSA-N 0 3 354.450 3.160 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1cccc(F)c1 ZINC000047011834 494617387 /nfs/dbraw/zinc/61/73/87/494617387.db2.gz NUAWZWOXVWXNCN-UHFFFAOYSA-N 0 3 369.440 3.057 20 30 FGEDHN CN(C(=O)NCC#Cc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074846836 494620285 /nfs/dbraw/zinc/62/02/85/494620285.db2.gz XVHOWIIDWZHQRX-JOCHJYFZSA-N 0 3 361.489 3.344 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000121158851 494624675 /nfs/dbraw/zinc/62/46/75/494624675.db2.gz IFNFCBNBBBPZLG-QZTJIDSGSA-N 0 3 371.525 3.278 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CCCOC)cc1OC ZINC000092537212 494662864 /nfs/dbraw/zinc/66/28/64/494662864.db2.gz BRAAWLRMPRWYAP-UHFFFAOYSA-N 0 3 358.276 3.491 20 30 FGEDHN Cc1cc(CN2CCCN(c3ccccc3C#N)CC2)ccc1-n1cncn1 ZINC000091792278 494680391 /nfs/dbraw/zinc/68/03/91/494680391.db2.gz HGXUKKMAKABJRV-UHFFFAOYSA-N 0 3 372.476 3.160 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000131631010 494681623 /nfs/dbraw/zinc/68/16/23/494681623.db2.gz PDJMBHWRCJZFAR-OXJNMPFZSA-N 0 3 368.506 3.231 20 30 FGEDHN COCCOc1ccccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000091792517 494682837 /nfs/dbraw/zinc/68/28/37/494682837.db2.gz UIDRUFHEJROWQG-UHFFFAOYSA-N 0 3 365.477 3.296 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000067975208 494716547 /nfs/dbraw/zinc/71/65/47/494716547.db2.gz MJYAADPHYAIDBP-QGZVFWFLSA-N 0 3 366.303 3.328 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000091949287 494729339 /nfs/dbraw/zinc/72/93/39/494729339.db2.gz FWUOTPYSQSGKAZ-ROUUACIJSA-N 0 3 369.509 3.448 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000047740042 494767288 /nfs/dbraw/zinc/76/72/88/494767288.db2.gz WVZIVHNGMRAMIM-LJQANCHMSA-N 0 3 369.421 3.118 20 30 FGEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)s1 ZINC000132047925 494806642 /nfs/dbraw/zinc/80/66/42/494806642.db2.gz OEQBIDXBKGWBIE-UHFFFAOYSA-N 0 3 358.511 3.253 20 30 FGEDHN CN(CCNC(=O)N[C@@H](CCC#N)c1ccccc1)Cc1ccccc1 ZINC000132071407 494813974 /nfs/dbraw/zinc/81/39/74/494813974.db2.gz AOKKNDLYZUDXBN-FQEVSTJZSA-N 0 3 350.466 3.463 20 30 FGEDHN C[C@H]1CCC[C@](C#N)(NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116807175 494855928 /nfs/dbraw/zinc/85/59/28/494855928.db2.gz QQFBETYEYFJENO-UGKGYDQZSA-N 0 3 368.525 3.177 20 30 FGEDHN C=CC1CCN(Cc2ccc(OCC(=O)N3CCCC3)c(OC)c2)CC1 ZINC000093359191 494878435 /nfs/dbraw/zinc/87/84/35/494878435.db2.gz JBCQQWMIDKYQAH-UHFFFAOYSA-N 0 3 358.482 3.094 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CN2CCCCC2)c1C#N ZINC000027757737 494884264 /nfs/dbraw/zinc/88/42/64/494884264.db2.gz KSDIMBMAPMSVTH-ZDUSSCGKSA-N 0 3 358.511 3.157 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000127393634 494938306 /nfs/dbraw/zinc/93/83/06/494938306.db2.gz ALLWSLTYELCKHO-FQEVSTJZSA-N 0 3 367.424 3.081 20 30 FGEDHN CSCC[C@@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000133272114 494993049 /nfs/dbraw/zinc/99/30/49/494993049.db2.gz NYKLUBPXNBQLFE-IBGZPJMESA-N 0 3 356.491 3.341 20 30 FGEDHN C[C@@H]1SCCN(C[C@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000118422416 495001810 /nfs/dbraw/zinc/00/18/10/495001810.db2.gz QJUWLNHJVNXKAP-NBHGPNQESA-N 0 3 368.502 3.477 20 30 FGEDHN C=CCc1cc(C(=O)N(CCN(C)C)C2CCCC2)cc(OC)c1OC ZINC000097040604 495020013 /nfs/dbraw/zinc/02/00/13/495020013.db2.gz GPPGQXXXGORQAK-UHFFFAOYSA-N 0 3 360.498 3.379 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CCN1C ZINC000122751433 495026111 /nfs/dbraw/zinc/02/61/11/495026111.db2.gz PQLSYKNGQGCKMB-RDJZCZTQSA-N 0 3 367.449 3.285 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000122799593 495032986 /nfs/dbraw/zinc/03/29/86/495032986.db2.gz YKFUGQUEOHBGHX-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(CN3CCCCC3=O)CC2)c1 ZINC000128181021 495056799 /nfs/dbraw/zinc/05/67/99/495056799.db2.gz SYBKRIOOCDTYAQ-UHFFFAOYSA-N 0 3 355.482 3.052 20 30 FGEDHN CC[C@H](CNCc1cnc2ccc(C#N)cn12)N1CCc2ccccc2C1 ZINC000123227357 495099478 /nfs/dbraw/zinc/09/94/78/495099478.db2.gz AKGQZCNSHXKVBT-HXUWFJFHSA-N 0 3 359.477 3.132 20 30 FGEDHN C[C@H](CNCc1cnc2ccc(C#N)cn12)c1nc(-c2ccccc2)no1 ZINC000123436352 495131796 /nfs/dbraw/zinc/13/17/96/495131796.db2.gz SAVFKTZVSZVHLU-CQSZACIVSA-N 0 3 358.405 3.149 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000123644210 495165935 /nfs/dbraw/zinc/16/59/35/495165935.db2.gz MLZHSFYGEJYYJK-IDNNPUCFSA-N 0 3 358.482 3.214 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000119567634 495192726 /nfs/dbraw/zinc/19/27/26/495192726.db2.gz AURPGVVQGBKHGU-HXUWFJFHSA-N 0 3 356.514 3.313 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000134914495 495222851 /nfs/dbraw/zinc/22/28/51/495222851.db2.gz UULVFNQMQJMXJF-QFBILLFUSA-N 0 3 365.502 3.430 20 30 FGEDHN Cc1cccc2[nH]cc(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c21 ZINC000103432702 495231713 /nfs/dbraw/zinc/23/17/13/495231713.db2.gz JJLXXPUSYOLDOR-UHFFFAOYSA-N 0 3 374.488 3.481 20 30 FGEDHN N#CCSc1cccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000119770394 495237358 /nfs/dbraw/zinc/23/73/58/495237358.db2.gz FULQDWWIMGNPPX-GOSISDBHSA-N 0 3 373.522 3.019 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccccc1OCC#N ZINC000112821345 495245230 /nfs/dbraw/zinc/24/52/30/495245230.db2.gz GMCAHNHUXRBKQA-UHFFFAOYSA-N 0 3 373.403 3.071 20 30 FGEDHN COc1ccc(CN2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000135130909 495254184 /nfs/dbraw/zinc/25/41/84/495254184.db2.gz CFOFMDUETHYTPI-ROUUACIJSA-N 0 3 371.525 3.278 20 30 FGEDHN N#CC(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccccn1 ZINC000103798365 495257147 /nfs/dbraw/zinc/25/71/47/495257147.db2.gz XEBWBHCMHWIRCI-NSHDSACASA-N 0 3 353.275 3.246 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1 ZINC000113127547 495277016 /nfs/dbraw/zinc/27/70/16/495277016.db2.gz OELQABYKLPMCCR-UHFFFAOYSA-N 0 3 370.840 3.206 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000135353877 495281248 /nfs/dbraw/zinc/28/12/48/495281248.db2.gz LMQFAUISEGYYAK-SFHVURJKSA-N 0 3 374.504 3.134 20 30 FGEDHN C=CCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000574436947 505772678 /nfs/dbraw/zinc/77/26/78/505772678.db2.gz SSHVHMZODPJAAB-HXUWFJFHSA-N 0 3 365.525 3.312 20 30 FGEDHN N#CCCn1cc(CNC[C@@H](O)c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000113318435 495295528 /nfs/dbraw/zinc/29/55/28/495295528.db2.gz XAHHWTAORHUFSB-HXUWFJFHSA-N 0 3 364.424 3.426 20 30 FGEDHN N#CCCn1cc(CNC[C@@H](O)c2ccccc2F)c(-c2ccccc2)n1 ZINC000113326110 495296199 /nfs/dbraw/zinc/29/61/99/495296199.db2.gz PQODEKMCMFAYQE-HXUWFJFHSA-N 0 3 364.424 3.426 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000568769460 505773469 /nfs/dbraw/zinc/77/34/69/505773469.db2.gz XMQQDLYEYYQCKM-QFIPXVFZSA-N 0 3 362.477 3.019 20 30 FGEDHN CCCN1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000114463366 495378284 /nfs/dbraw/zinc/37/82/84/495378284.db2.gz BEWWBJIIFZFAKQ-IBGZPJMESA-N 0 3 356.514 3.048 20 30 FGEDHN N#Cc1ccc(SCC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000114642920 495402354 /nfs/dbraw/zinc/40/23/54/495402354.db2.gz KASOPYHYEQLPLB-LJQANCHMSA-N 0 3 365.502 3.431 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000106036300 495405890 /nfs/dbraw/zinc/40/58/90/495405890.db2.gz RZFVFBLIJWTKKT-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000106034877 495406318 /nfs/dbraw/zinc/40/63/18/495406318.db2.gz BRYSXJCXZVQZHL-UHFFFAOYSA-N 0 3 358.873 3.296 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000120593596 495412559 /nfs/dbraw/zinc/41/25/59/495412559.db2.gz WNHYSAWNQRTRRT-KRWDZBQOSA-N 0 3 367.497 3.273 20 30 FGEDHN COc1ccc([C@@H](CNc2ncc(C#N)cc2Cl)N(C)C)cc1OC ZINC000114708545 495413179 /nfs/dbraw/zinc/41/31/79/495413179.db2.gz DJDNDMIRTYQFRM-OAHLLOKOSA-N 0 3 360.845 3.339 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(CCC(C)(C)C)CC1 ZINC000125298452 495421762 /nfs/dbraw/zinc/42/17/62/495421762.db2.gz YZXVWQHLRRTGPF-IBGZPJMESA-N 0 3 370.541 3.376 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nc3ccc(OC)cc3s2)CC1 ZINC000106314800 495443392 /nfs/dbraw/zinc/44/33/92/495443392.db2.gz HIERYDYHMQLXHT-UHFFFAOYSA-N 0 3 360.483 3.467 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000125516673 495456749 /nfs/dbraw/zinc/45/67/49/495456749.db2.gz RJZKLKXPWIGSLV-GOSISDBHSA-N 0 3 358.482 3.112 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000120999629 495500639 /nfs/dbraw/zinc/50/06/39/495500639.db2.gz VTJDZUKCDWKNPN-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000185506819 495604098 /nfs/dbraw/zinc/60/40/98/495604098.db2.gz SEXZKKBDEBLLPG-UHFFFAOYSA-N 0 3 359.470 3.258 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2COc3ccccc32)c(C#N)c1C ZINC000185580560 495631560 /nfs/dbraw/zinc/63/15/60/495631560.db2.gz IOEJMUSPCFXUSQ-DCGLDWPTSA-N 0 3 353.422 3.249 20 30 FGEDHN COC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c(C#N)n1 ZINC000571701643 505794408 /nfs/dbraw/zinc/79/44/08/505794408.db2.gz QBHUTLVIDGYIIR-SCLBCKFNSA-N 0 3 370.478 3.296 20 30 FGEDHN CC(C)N(C)c1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000580602108 505794601 /nfs/dbraw/zinc/79/46/01/505794601.db2.gz AIEHWKOBSPXYER-UHFFFAOYSA-N 0 3 365.525 3.362 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000170934766 495658495 /nfs/dbraw/zinc/65/84/95/495658495.db2.gz AVNUQLHWGWDFQD-FQEVSTJZSA-N 0 3 366.440 3.334 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000159115672 495662762 /nfs/dbraw/zinc/66/27/62/495662762.db2.gz UKDGUNHRKBLGRO-XQQFMLRXSA-N 0 3 371.403 3.187 20 30 FGEDHN Cn1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(C(C)(C)C)n1 ZINC000179639384 495672031 /nfs/dbraw/zinc/67/20/31/495672031.db2.gz RAMBMGSWQDRMRS-UHFFFAOYSA-N 0 3 365.525 3.297 20 30 FGEDHN N#Cc1cccc(OCCN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179728291 495707734 /nfs/dbraw/zinc/70/77/34/495707734.db2.gz QCERNWXMNJJDQV-NRFANRHFSA-N 0 3 350.418 3.449 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179755229 495721359 /nfs/dbraw/zinc/72/13/59/495721359.db2.gz VEQGJQLCAQRXGM-QRWLVFNGSA-N 0 3 356.466 3.088 20 30 FGEDHN N#Cc1c(NC(=O)CCN[C@@H](CO)c2ccccc2)sc2c1CCCC2 ZINC000182916828 495756909 /nfs/dbraw/zinc/75/69/09/495756909.db2.gz SHMWAQPVFDVYGS-KRWDZBQOSA-N 0 3 369.490 3.150 20 30 FGEDHN CCN1CCN(c2ccccc2CN(CCC#N)Cc2ccco2)CC1 ZINC000159607849 495768668 /nfs/dbraw/zinc/76/86/68/495768668.db2.gz CZXKDUAGBZKLSK-UHFFFAOYSA-N 0 3 352.482 3.337 20 30 FGEDHN C[C@@H](NCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000173984127 495776477 /nfs/dbraw/zinc/77/64/77/495776477.db2.gz IERGLKIVSPUGPB-CYBMUJFWSA-N 0 3 372.266 3.401 20 30 FGEDHN N#Cc1ccc2ncc(CNCCNc3ncc(Cl)cc3Cl)n2c1 ZINC000176798164 495788295 /nfs/dbraw/zinc/78/82/95/495788295.db2.gz DOQQRMABJAUECI-UHFFFAOYSA-N 0 3 361.236 3.109 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)C1(c2ccccc2)CCCC1 ZINC000185949811 495794177 /nfs/dbraw/zinc/79/41/77/495794177.db2.gz FXPKBFONLSGCBU-SFHVURJKSA-N 0 3 352.482 3.132 20 30 FGEDHN CC[C@H]1Oc2cc([C@H](C)NCCOc3cccc(C#N)c3)ccc2NC1=O ZINC000180031722 495829845 /nfs/dbraw/zinc/82/98/45/495829845.db2.gz HGEHYNZMOCFKDW-IFXJQAMLSA-N 0 3 365.433 3.397 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1c(F)cc(C#N)cc1F ZINC000151411332 495830866 /nfs/dbraw/zinc/83/08/66/495830866.db2.gz AUAODESAHNKLTL-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000180038501 495832902 /nfs/dbraw/zinc/83/29/02/495832902.db2.gz QHLRLOVIZBOJHP-GOSISDBHSA-N 0 3 352.434 3.329 20 30 FGEDHN CC#CCCCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186077646 495847245 /nfs/dbraw/zinc/84/72/45/495847245.db2.gz OULFJALINJYUQY-LJQANCHMSA-N 0 3 350.466 3.462 20 30 FGEDHN CCC[C@@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000183140651 495851539 /nfs/dbraw/zinc/85/15/39/495851539.db2.gz GOIKCLNYRJDVHT-VQTJNVASSA-N 0 3 357.498 3.044 20 30 FGEDHN CCOC(=O)C[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000183184056 495871618 /nfs/dbraw/zinc/87/16/18/495871618.db2.gz ZHDZSUMRWIJIFM-MRXNPFEDSA-N 0 3 354.454 3.237 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000160069527 495876892 /nfs/dbraw/zinc/87/68/92/495876892.db2.gz SKYGZIBGUCUGFT-IBGZPJMESA-N 0 3 372.557 3.433 20 30 FGEDHN C#CCOc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000155232317 495884571 /nfs/dbraw/zinc/88/45/71/495884571.db2.gz UYZDOGZORJTRNE-KRWDZBQOSA-N 0 3 363.461 3.049 20 30 FGEDHN C=CCCOCCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186185747 495889068 /nfs/dbraw/zinc/88/90/68/495889068.db2.gz UFJMCWCBWKYWAF-RBUKOAKNSA-N 0 3 351.512 3.262 20 30 FGEDHN COc1ccccc1[C@@H](NCCNC(=O)C1N=CC=CC1=O)C1CCCC1 ZINC000180176803 495892283 /nfs/dbraw/zinc/89/22/83/495892283.db2.gz REOPVSRDAOGSPR-WCZGFUKNSA-N 0 3 369.465 3.043 20 30 FGEDHN CN(CCC(=O)OC(C)(C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180205300 495906077 /nfs/dbraw/zinc/90/60/77/495906077.db2.gz OZWSGVIDOBWRIU-UHFFFAOYSA-N 0 3 354.454 3.122 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000180205500 495906342 /nfs/dbraw/zinc/90/63/42/495906342.db2.gz UXSJMXUPQRDLKH-UHFFFAOYSA-N 0 3 351.450 3.293 20 30 FGEDHN C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000180208751 495907272 /nfs/dbraw/zinc/90/72/72/495907272.db2.gz PEBROBIMSLHZDI-AWEZNQCLSA-N 0 3 374.448 3.300 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)COCc2ccccc2)CC1 ZINC000171556659 495926125 /nfs/dbraw/zinc/92/61/25/495926125.db2.gz GZGHKDRFQRHLGP-GOSISDBHSA-N 0 3 359.514 3.179 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)n2c1 ZINC000180363788 495966328 /nfs/dbraw/zinc/96/63/28/495966328.db2.gz SYZQIVUKVWMVHP-AWEZNQCLSA-N 0 3 369.831 3.367 20 30 FGEDHN CCN(CC)CCN(CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000177228360 495985484 /nfs/dbraw/zinc/98/54/84/495985484.db2.gz UGNFPQBHXCRKND-UHFFFAOYSA-N 0 3 370.522 3.402 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)CC1 ZINC000171714381 496002690 /nfs/dbraw/zinc/00/26/90/496002690.db2.gz BSINVSQKINSUGV-UHFFFAOYSA-N 0 3 373.497 3.182 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)CC1 ZINC000171715187 496003779 /nfs/dbraw/zinc/00/37/79/496003779.db2.gz ZYSVCIFFJARPKI-CYBMUJFWSA-N 0 3 356.388 3.239 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN2CCC(CN3CCOCC3)CC2)cc1 ZINC000177277052 496004038 /nfs/dbraw/zinc/00/40/38/496004038.db2.gz HIEPQJXFINNNRU-UHFFFAOYSA-N 0 3 366.427 3.101 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(CSc3nccn3C)c2)CC1 ZINC000171717075 496004899 /nfs/dbraw/zinc/00/48/99/496004899.db2.gz ZJEDGMLILZYIRW-UHFFFAOYSA-N 0 3 370.522 3.093 20 30 FGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000171726057 496008911 /nfs/dbraw/zinc/00/89/11/496008911.db2.gz AKNPSVGIGPEMTN-FNORWQNLSA-N 0 3 366.408 3.076 20 30 FGEDHN C=CCN1CCC(NC(=O)NC2(c3ccc(OC)cc3)CCCC2)CC1 ZINC000171734180 496012646 /nfs/dbraw/zinc/01/26/46/496012646.db2.gz YHDSTJMYZYOXBM-UHFFFAOYSA-N 0 3 357.498 3.414 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000183601519 496044377 /nfs/dbraw/zinc/04/43/77/496044377.db2.gz RZZNUQMCIPTRQL-MRXNPFEDSA-N 0 3 359.433 3.423 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000171811588 496044991 /nfs/dbraw/zinc/04/49/91/496044991.db2.gz IJNSIBJGWHVXHF-IBGZPJMESA-N 0 3 369.553 3.096 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000160859853 496055433 /nfs/dbraw/zinc/05/54/33/496055433.db2.gz LZSFFUGPQBZFCM-CVEARBPZSA-N 0 3 359.433 3.422 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1cccc(C#N)c1 ZINC000160859750 496055765 /nfs/dbraw/zinc/05/57/65/496055765.db2.gz LZSFFUGPQBZFCM-HOTGVXAUSA-N 0 3 359.433 3.422 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000186666097 496097520 /nfs/dbraw/zinc/09/75/20/496097520.db2.gz DLKVNJUABFWFLP-UHFFFAOYSA-N 0 3 351.425 3.134 20 30 FGEDHN N#CCc1cccc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000171948051 496105680 /nfs/dbraw/zinc/10/56/80/496105680.db2.gz CSRWLCDGHDYHEV-UHFFFAOYSA-N 0 3 357.523 3.234 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000186716249 496119680 /nfs/dbraw/zinc/11/96/80/496119680.db2.gz SETGBWVFFOVUCZ-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN N#Cc1cccc(OCCN[C@@H](CO)c2cccc(Br)c2)c1 ZINC000183880035 496146047 /nfs/dbraw/zinc/14/60/47/496146047.db2.gz PJWDDMIXKCSWJX-KRWDZBQOSA-N 0 3 361.239 3.023 20 30 FGEDHN N#Cc1ccc(OCCN[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183886329 496148114 /nfs/dbraw/zinc/14/81/14/496148114.db2.gz DMHGXQWPUPDYMR-KRWDZBQOSA-N 0 3 361.239 3.023 20 30 FGEDHN N#CCCn1cc(CN[C@@H]2Cc3ccccc3[C@H]2O)c(-c2ccccc2)n1 ZINC000172067764 496149916 /nfs/dbraw/zinc/14/99/16/496149916.db2.gz KAQYKAPGMFPONW-IFMALSPDSA-N 0 3 358.445 3.212 20 30 FGEDHN CCc1nn(C)c(CC)c1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000162154415 496305505 /nfs/dbraw/zinc/30/55/05/496305505.db2.gz CDRMTGFZKDICEC-MRXNPFEDSA-N 0 3 369.488 3.314 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000172494455 496316947 /nfs/dbraw/zinc/31/69/47/496316947.db2.gz GVCGQESHMOGLGR-LJQANCHMSA-N 0 3 354.498 3.497 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccccc3)C[C@H]2CC)CC1 ZINC000184499131 496412871 /nfs/dbraw/zinc/41/28/71/496412871.db2.gz QAEDFXJECCCUHY-HXUWFJFHSA-N 0 3 370.541 3.337 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)[C@@H]2CCOC2)c1C#N ZINC000162805378 496415260 /nfs/dbraw/zinc/41/52/60/496415260.db2.gz GGUUXIAQOUMJOD-GDBMZVCRSA-N 0 3 358.486 3.045 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)[C@H]2CCOC2)c1C#N ZINC000162805594 496415538 /nfs/dbraw/zinc/41/55/38/496415538.db2.gz GGUUXIAQOUMJOD-ZBFHGGJFSA-N 0 3 358.486 3.045 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000187389866 496421916 /nfs/dbraw/zinc/42/19/16/496421916.db2.gz CRURMYPPBJUKAL-OAQYLSRUSA-N 0 3 362.477 3.268 20 30 FGEDHN COc1cc(F)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000162859456 496423884 /nfs/dbraw/zinc/42/38/84/496423884.db2.gz IABZNWDCWMROGH-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN CN(C)CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000181515565 496428488 /nfs/dbraw/zinc/42/84/88/496428488.db2.gz TWDJJFDECLMONW-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN C[C@@H](NCCNC(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000181548751 496440850 /nfs/dbraw/zinc/44/08/50/496440850.db2.gz IWJCPHSAUHWBCI-CYBMUJFWSA-N 0 3 372.266 3.401 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000187492267 496464526 /nfs/dbraw/zinc/46/45/26/496464526.db2.gz RKGAQZSPXIXPNQ-OAQYLSRUSA-N 0 3 362.477 3.268 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)CC1 ZINC000187499179 496467415 /nfs/dbraw/zinc/46/74/15/496467415.db2.gz GGCDWEVPUAJGSK-INIZCTEOSA-N 0 3 371.403 3.248 20 30 FGEDHN N#CCC[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000569091405 505849949 /nfs/dbraw/zinc/84/99/49/505849949.db2.gz KUEPXFSUNMWWGN-SFHVURJKSA-N 0 3 350.422 3.335 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173115590 496555857 /nfs/dbraw/zinc/55/58/57/496555857.db2.gz QWBLUMKUUZJTGC-CVEARBPZSA-N 0 3 356.495 3.416 20 30 FGEDHN C=CCOc1cccc(CNCc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185089963 496655308 /nfs/dbraw/zinc/65/53/08/496655308.db2.gz YZSYOMXEGLAXNC-UHFFFAOYSA-N 0 3 372.490 3.081 20 30 FGEDHN CCN(CC)c1ccc(/C=N/[C@H]2CS(=O)(=O)c3ccccc32)c(O)c1 ZINC000158259105 496661810 /nfs/dbraw/zinc/66/18/10/496661810.db2.gz OJDLKHAYKRVLGZ-RONKMWSCSA-N 0 3 358.463 3.186 20 30 FGEDHN C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(C#N)s1 ZINC000154063552 496671844 /nfs/dbraw/zinc/67/18/44/496671844.db2.gz MIHJNUTZECCTNU-KVSKMBFKSA-N 0 3 355.507 3.153 20 30 FGEDHN COC(=O)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000188105991 496685655 /nfs/dbraw/zinc/68/56/55/496685655.db2.gz HSJJJJQQOUJQSU-APWZRJJASA-N 0 3 366.465 3.095 20 30 FGEDHN CC[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCO1 ZINC000182334332 496730138 /nfs/dbraw/zinc/73/01/38/496730138.db2.gz GEMMHNWFOKFFAQ-JKSUJKDBSA-N 0 3 361.511 3.374 20 30 FGEDHN N#CCOc1ccccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000194907836 496756917 /nfs/dbraw/zinc/75/69/17/496756917.db2.gz MOZPOFZDLCPKOJ-MRXNPFEDSA-N 0 3 369.490 3.292 20 30 FGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(OCC(=O)NCC)c2)cc1 ZINC000268811322 496793008 /nfs/dbraw/zinc/79/30/08/496793008.db2.gz UBRKCYRTEXGLJO-QGZVFWFLSA-N 0 3 366.461 3.064 20 30 FGEDHN COc1cccc([C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000195141529 496832490 /nfs/dbraw/zinc/83/24/90/496832490.db2.gz KLQYICPDRZBBSG-KRWDZBQOSA-N 0 3 365.477 3.261 20 30 FGEDHN Cn1cc(CNCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1C#N ZINC000191620051 496834734 /nfs/dbraw/zinc/83/47/34/496834734.db2.gz LIVZEXSAHKQHOX-UHFFFAOYSA-N 0 3 366.465 3.437 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269090489 496869818 /nfs/dbraw/zinc/86/98/18/496869818.db2.gz BZKDKADCGVBSQV-UHFFFAOYSA-N 0 3 364.877 3.223 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(NC(=O)C(C)C)c2)CC1 ZINC000264386188 496888211 /nfs/dbraw/zinc/88/82/11/496888211.db2.gz MHDZADOKRINAAZ-UHFFFAOYSA-N 0 3 358.486 3.443 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264526761 496921201 /nfs/dbraw/zinc/92/12/01/496921201.db2.gz XODWHNHRCPQSJJ-CQSZACIVSA-N 0 3 364.396 3.252 20 30 FGEDHN N#CCOc1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000264536802 496923736 /nfs/dbraw/zinc/92/37/36/496923736.db2.gz GKDUWLTVHKTLOE-SFHVURJKSA-N 0 3 365.481 3.286 20 30 FGEDHN N#CCOc1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000264557892 496928901 /nfs/dbraw/zinc/92/89/01/496928901.db2.gz NMNQOGGQGLDXJV-UHFFFAOYSA-N 0 3 365.433 3.145 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(C#N)cc2C)c1 ZINC000191948730 496940620 /nfs/dbraw/zinc/94/06/20/496940620.db2.gz HHGHALUQGDQZLS-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000192290612 497064796 /nfs/dbraw/zinc/06/47/96/497064796.db2.gz QGVWEUUBWDKAAS-UHFFFAOYSA-N 0 3 374.229 3.499 20 30 FGEDHN C=C(C)[C@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)OCC ZINC000270145470 497066590 /nfs/dbraw/zinc/06/65/90/497066590.db2.gz GTNJRVAJCDICJP-FQEVSTJZSA-N 0 3 360.498 3.201 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000274382672 497084441 /nfs/dbraw/zinc/08/44/41/497084441.db2.gz JGWBYTULVUXJHQ-IBGZPJMESA-N 0 3 356.514 3.478 20 30 FGEDHN CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000278371374 497091838 /nfs/dbraw/zinc/09/18/38/497091838.db2.gz CEOYPKZREROOIH-HXUWFJFHSA-N 0 3 369.490 3.339 20 30 FGEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265885001 497201280 /nfs/dbraw/zinc/20/12/80/497201280.db2.gz ZXWSVODEFKEOPC-QAPCUYQASA-N 0 3 359.470 3.324 20 30 FGEDHN Cc1ccc([C@H](O)CNCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000265992983 497226897 /nfs/dbraw/zinc/22/68/97/497226897.db2.gz NZINOMNLVADLMF-GOSISDBHSA-N 0 3 350.422 3.188 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1OC ZINC000271021938 497248566 /nfs/dbraw/zinc/24/85/66/497248566.db2.gz OANCFRVWEDHKSC-SYJIQKIWSA-N 0 3 372.509 3.462 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCN1C ZINC000266384117 497322719 /nfs/dbraw/zinc/32/27/19/497322719.db2.gz DIZZCNAKJKYROH-UWJYYQICSA-N 0 3 362.477 3.428 20 30 FGEDHN CC(C)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCC1 ZINC000193215491 497326338 /nfs/dbraw/zinc/32/63/38/497326338.db2.gz SEZSNDSCUGSLID-UHFFFAOYSA-N 0 3 351.454 3.193 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)COc2ccc(C#N)cc2)N(C)C)cc1 ZINC000578259018 505899278 /nfs/dbraw/zinc/89/92/78/505899278.db2.gz MUYGOBHURLZPEQ-IBGZPJMESA-N 0 3 369.490 3.078 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000574994985 505900465 /nfs/dbraw/zinc/90/04/65/505900465.db2.gz RTPRSEZCDIBPOK-APWZRJJASA-N 0 3 352.906 3.330 20 30 FGEDHN C#CCOc1ccccc1CN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000271541887 497377184 /nfs/dbraw/zinc/37/71/84/497377184.db2.gz YQOSBDOZXJLFBM-AWEZNQCLSA-N 0 3 357.841 3.254 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000245394092 497383084 /nfs/dbraw/zinc/38/30/84/497383084.db2.gz DZRYUVAJELILDQ-VQTJNVASSA-N 0 3 368.525 3.109 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000279370207 497419487 /nfs/dbraw/zinc/41/94/87/497419487.db2.gz RRRYYOCYRXQNJO-KUHUBIRLSA-N 0 3 372.428 3.003 20 30 FGEDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000271722278 497429197 /nfs/dbraw/zinc/42/91/97/497429197.db2.gz KIKIWEMRBYXQIZ-UHFFFAOYSA-N 0 3 365.433 3.123 20 30 FGEDHN COc1cc([C@@H](C)NCCOc2cccc(C#N)c2)cc(OC)c1OC ZINC000271738040 497433331 /nfs/dbraw/zinc/43/33/31/497433331.db2.gz HWXCQEWSNHYMDI-CQSZACIVSA-N 0 3 356.422 3.314 20 30 FGEDHN Cc1c(NC(=O)CCNC2(c3cccc(C#N)c3)CC2)cccc1[N+](=O)[O-] ZINC000271852380 497469989 /nfs/dbraw/zinc/46/99/89/497469989.db2.gz XVONZDGXNDJYJH-UHFFFAOYSA-N 0 3 364.405 3.382 20 30 FGEDHN COc1c(Br)cc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000569331109 505909535 /nfs/dbraw/zinc/90/95/35/505909535.db2.gz AOZZCGKRTIIZDU-SNVBAGLBSA-N 0 3 360.639 3.071 20 30 FGEDHN Cc1ccc2nc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)cn2c1 ZINC000271904037 497483929 /nfs/dbraw/zinc/48/39/29/497483929.db2.gz WDXMFWIUTFEPEH-UHFFFAOYSA-N 0 3 359.477 3.269 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000575039910 505909963 /nfs/dbraw/zinc/90/99/63/505909963.db2.gz FPFLOXUDCAYQPY-KXBFYZLASA-N 0 3 372.852 3.455 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H]3OCCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000245701405 497507971 /nfs/dbraw/zinc/50/79/71/497507971.db2.gz DDBKAIPJROJPIN-ICSRJNTNSA-N 0 3 350.466 3.465 20 30 FGEDHN Cc1cc(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)nn1CCC#N ZINC000272026110 497516212 /nfs/dbraw/zinc/51/62/12/497516212.db2.gz CXPQDUBSFZPHQM-UHFFFAOYSA-N 0 3 368.485 3.137 20 30 FGEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)cc1 ZINC000190603940 497542157 /nfs/dbraw/zinc/54/21/57/497542157.db2.gz PEDGLORWLPTHPB-SFTDATJTSA-N 0 3 363.461 3.409 20 30 FGEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000190620190 497548771 /nfs/dbraw/zinc/54/87/71/497548771.db2.gz IIJZGZYRUXNZHO-KKSFZXQISA-N 0 3 362.477 3.076 20 30 FGEDHN C[C@@H](CCC#N)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000276340057 497549855 /nfs/dbraw/zinc/54/98/55/497549855.db2.gz SYXGPFBQNQDIPK-QWHCGFSZSA-N 0 3 365.275 3.187 20 30 FGEDHN Cn1cc(CN[C@@H]2CCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272205038 497564254 /nfs/dbraw/zinc/56/42/54/497564254.db2.gz YXADUJGUSLGPEE-HXUWFJFHSA-N 0 3 357.461 3.327 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000194123481 497579925 /nfs/dbraw/zinc/57/99/25/497579925.db2.gz XQHBYWTWNZTMAQ-UHFFFAOYSA-N 0 3 369.440 3.041 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@@](C)(O)CC)CC1 ZINC000190728541 497587779 /nfs/dbraw/zinc/58/77/79/497587779.db2.gz XBLMWWSHAKIYRC-NRFANRHFSA-N 0 3 359.514 3.010 20 30 FGEDHN CC1(C#N)CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000272440318 497629731 /nfs/dbraw/zinc/62/97/31/497629731.db2.gz QULUNUVMANFATB-UHFFFAOYSA-N 0 3 354.498 3.029 20 30 FGEDHN Cc1cc(NC(=O)c2ccnc(C#N)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000194343338 497640098 /nfs/dbraw/zinc/64/00/98/497640098.db2.gz ZKWWUMYIKHQIKV-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN COCC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000272517336 497649631 /nfs/dbraw/zinc/64/96/31/497649631.db2.gz HIIVHNKJJJKFPY-HXUWFJFHSA-N 0 3 353.466 3.483 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 ZINC000280170539 497670875 /nfs/dbraw/zinc/67/08/75/497670875.db2.gz XNXMGQBCZYTAMZ-VWRAKTAISA-N 0 3 373.456 3.187 20 30 FGEDHN CC[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000280287722 497708229 /nfs/dbraw/zinc/70/82/29/497708229.db2.gz DZZKSZJHFMTDEE-MSOLQXFVSA-N 0 3 365.408 3.353 20 30 FGEDHN CC[C@H]1C[C@@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000272808578 497735506 /nfs/dbraw/zinc/73/55/06/497735506.db2.gz VCEPDWZWPTYMPQ-PXNSSMCTSA-N 0 3 357.498 3.044 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H]4[C@@H](CCCN4C4CC4)C3)o2)cc1 ZINC000246549327 497771402 /nfs/dbraw/zinc/77/14/02/497771402.db2.gz KHKNITCNWFXFPY-HKUYNNGSSA-N 0 3 363.465 3.057 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000280626384 497832184 /nfs/dbraw/zinc/83/21/84/497832184.db2.gz LOIWCYLPOMEBPP-BBRMVZONSA-N 0 3 357.903 3.204 20 30 FGEDHN COc1ccc(C)cc1C(=O)C(C(=S)[N-]C1CC1)[n+]1ccc(C)cc1 ZINC000299538420 497839058 /nfs/dbraw/zinc/83/90/58/497839058.db2.gz INAOKRQLEYVURV-UHFFFAOYSA-O 0 3 355.483 3.290 20 30 FGEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000575174529 505936800 /nfs/dbraw/zinc/93/68/00/505936800.db2.gz IDMYBMDBALAVKK-GOSISDBHSA-N 0 3 373.497 3.273 20 30 FGEDHN CCN1CCC[C@@H](NC(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)C1 ZINC000329641834 497855252 /nfs/dbraw/zinc/85/52/52/497855252.db2.gz XZGLVKUYTVSGMD-MRXNPFEDSA-N 0 3 370.501 3.191 20 30 FGEDHN CC[C@@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1cccc(C)c1 ZINC000299595314 497862337 /nfs/dbraw/zinc/86/23/37/497862337.db2.gz MZKGJTPHYKGALY-CQSZACIVSA-O 0 3 371.482 3.338 20 30 FGEDHN C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1=CCN(C)CC1 ZINC000329702202 497874692 /nfs/dbraw/zinc/87/46/92/497874692.db2.gz HYAPFNFBRYJNPY-GUYCJALGSA-N 0 3 361.873 3.300 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CCN1C ZINC000329733262 497882330 /nfs/dbraw/zinc/88/23/30/497882330.db2.gz QRTGLNVFHCIABX-YPMHNXCESA-N 0 3 359.451 3.326 20 30 FGEDHN C[C@]1(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCO[C@H]1C1CC1 ZINC000329749107 497888283 /nfs/dbraw/zinc/88/82/83/497888283.db2.gz HFLRRXPGTPLCDT-ZJOUEHCJSA-N 0 3 357.498 3.112 20 30 FGEDHN C[C@@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC(C)(C)C1 ZINC000329754617 497889832 /nfs/dbraw/zinc/88/98/32/497889832.db2.gz KXXHTOHZYJFDRI-KRWDZBQOSA-N 0 3 373.541 3.425 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)[C@@]3(C#N)CC34CCCC4)cc2)CC1 ZINC000296046375 497902661 /nfs/dbraw/zinc/90/26/61/497902661.db2.gz OIMUPPVUUDUIOA-QFIPXVFZSA-N 0 3 367.493 3.250 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000329849385 497926743 /nfs/dbraw/zinc/92/67/43/497926743.db2.gz RVCLQXLUPBKYIZ-BXUZGUMPSA-N 0 3 371.462 3.326 20 30 FGEDHN CC(C)c1nnc([C@@H]2CCCCN2CC(=O)NC2CCN(C3CC3)CC2)[nH]1 ZINC000329862751 497932620 /nfs/dbraw/zinc/93/26/20/497932620.db2.gz YTLZNRSYITWRKB-KRWDZBQOSA-N 0 3 374.533 3.038 20 30 FGEDHN CC1(C)CCCN(CCNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000329891305 497941262 /nfs/dbraw/zinc/94/12/62/497941262.db2.gz HQVDOZPVOVJRQJ-INIZCTEOSA-N 0 3 367.559 3.157 20 30 FGEDHN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000329991817 497983150 /nfs/dbraw/zinc/98/31/50/497983150.db2.gz XERWPQYFJLCWHF-OTWHNJEPSA-N 0 3 372.513 3.496 20 30 FGEDHN CC(C(=O)NCC1(c2ccccc2)CCC1)S(=O)(=O)C1CCOCC1 ZINC000330054647 498005531 /nfs/dbraw/zinc/00/55/31/498005531.db2.gz SILUNVFALHQDAA-HNNXBMFYSA-N 0 3 365.495 3.047 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000296350098 498008852 /nfs/dbraw/zinc/00/88/52/498008852.db2.gz QIZRXNSMLHXEHV-HOCLYGCPSA-N 0 3 374.428 3.433 20 30 FGEDHN C[C@]1(CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCCN1Cc1ccccc1 ZINC000330163071 498046749 /nfs/dbraw/zinc/04/67/49/498046749.db2.gz ARKUODAHNQXSFF-SFHLNBCPSA-N 0 3 357.498 3.112 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000281201740 498054214 /nfs/dbraw/zinc/05/42/14/498054214.db2.gz YENQYRRISKRZIY-LPHOPBHVSA-N 0 3 361.486 3.038 20 30 FGEDHN Cc1noc(C)c1NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330264138 498085681 /nfs/dbraw/zinc/08/56/81/498085681.db2.gz XNTODYJPVYNWNF-KBPBESRZSA-N 0 3 364.490 3.048 20 30 FGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000296540001 498086534 /nfs/dbraw/zinc/08/65/34/498086534.db2.gz QWUFXWWCSRGIKX-MRXNPFEDSA-N 0 3 372.490 3.311 20 30 FGEDHN Cn1nnnc1-c1cccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000330324889 498105712 /nfs/dbraw/zinc/10/57/12/498105712.db2.gz IVEFXUZLRMNTDS-QGZVFWFLSA-N 0 3 354.458 3.262 20 30 FGEDHN CC[C@H]1CN(c2c(C#N)cnc3c(C)cc(C)cc32)CCN1C[C@H](C)O ZINC000301445317 498113670 /nfs/dbraw/zinc/11/36/70/498113670.db2.gz ZEJOIEMRKSSJOF-WMZOPIPTSA-N 0 3 352.482 3.005 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000296606248 498118019 /nfs/dbraw/zinc/11/80/19/498118019.db2.gz DVVXHXNRYCCUCR-CVEARBPZSA-N 0 3 356.470 3.316 20 30 FGEDHN CSCC[C@H](NCCCC1(C#N)CCOCC1)c1nnc2ccccn21 ZINC000281358527 498119375 /nfs/dbraw/zinc/11/93/75/498119375.db2.gz NSPJVYQIORXFHU-INIZCTEOSA-N 0 3 373.526 3.214 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(c2ccccc2CO)CC1 ZINC000364772010 498135951 /nfs/dbraw/zinc/13/59/51/498135951.db2.gz BGPQDKADYUVNPW-UHFFFAOYSA-N 0 3 369.490 3.320 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCC2CCOCC2)CC1 ZINC000292788624 498147557 /nfs/dbraw/zinc/14/75/57/498147557.db2.gz ZQROZKYVOSVJII-UHFFFAOYSA-N 0 3 350.466 3.045 20 30 FGEDHN Cc1cc(NCCCc2[nH]nc(N)c2C#N)c2cc(OC(F)F)ccc2n1 ZINC000301557517 498163378 /nfs/dbraw/zinc/16/33/78/498163378.db2.gz WZJJKSKNCCZPKU-UHFFFAOYSA-N 0 3 372.379 3.366 20 30 FGEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000330806816 498197291 /nfs/dbraw/zinc/19/72/91/498197291.db2.gz HQSAYZQOQMCEKF-ZIAGYGMSSA-N 0 3 372.416 3.100 20 30 FGEDHN Cc1nc2sccn2c(=O)c1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000285914804 498239315 /nfs/dbraw/zinc/23/93/15/498239315.db2.gz HQQYKZRZZUCFRP-UHFFFAOYSA-N 0 3 364.474 3.143 20 30 FGEDHN N#Cc1cc(N2CCN(C3CCCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301734383 498244160 /nfs/dbraw/zinc/24/41/60/498244160.db2.gz ZIHLYSPJIAKZKQ-UHFFFAOYSA-N 0 3 365.437 3.469 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000289706805 498256317 /nfs/dbraw/zinc/25/63/17/498256317.db2.gz GKJJEUVTLQWFGJ-UHFFFAOYSA-N 0 3 363.509 3.117 20 30 FGEDHN CCOC1CC2(C1)CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000289731631 498268886 /nfs/dbraw/zinc/26/88/86/498268886.db2.gz PSZDXFHXWQYDAQ-UHFFFAOYSA-N 0 3 365.481 3.250 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000331179930 498270856 /nfs/dbraw/zinc/27/08/56/498270856.db2.gz MMJKRWIVJOJQHL-MWLCHTKSSA-N 0 3 356.220 3.145 20 30 FGEDHN Cc1ccc(Br)cc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000331222424 498278142 /nfs/dbraw/zinc/27/81/42/498278142.db2.gz VQTLAFSKXZIUDJ-HNNXBMFYSA-N 0 3 369.303 3.155 20 30 FGEDHN COc1ccc([C@H]2[C@H](CNC(=O)NCCCCC#N)CCCN2C)cc1 ZINC000360962716 498326984 /nfs/dbraw/zinc/32/69/84/498326984.db2.gz QFNUGRLUIQWICM-HKUYNNGSSA-N 0 3 358.486 3.071 20 30 FGEDHN CN(C(=O)CN1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O)C1(C#N)CCCCC1 ZINC000331522245 498359361 /nfs/dbraw/zinc/35/93/61/498359361.db2.gz CVZUNEUKTNVGOC-NSHGMRRFSA-N 0 3 361.530 3.077 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000578802281 506023654 /nfs/dbraw/zinc/02/36/54/506023654.db2.gz VTZGIZUZTCWFGL-UHFFFAOYSA-N 0 3 352.438 3.339 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)CC1 ZINC000297372121 498425078 /nfs/dbraw/zinc/42/50/78/498425078.db2.gz LJTNBFPLBCOMKR-UHFFFAOYSA-N 0 3 370.497 3.364 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000569857814 506032332 /nfs/dbraw/zinc/03/23/32/506032332.db2.gz KZGLBVKDEDIDKB-MSOLQXFVSA-N 0 3 369.513 3.270 20 30 FGEDHN CCN1CCN(c2cccc(Nc3ccc([N+](=O)[O-])cc3C#N)c2)CC1 ZINC000302247928 498458104 /nfs/dbraw/zinc/45/81/04/498458104.db2.gz LKCSRUNWDCRFTG-UHFFFAOYSA-N 0 3 351.410 3.352 20 30 FGEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000293709852 498463277 /nfs/dbraw/zinc/46/32/77/498463277.db2.gz UOEPFGVJUHONDW-JKSUJKDBSA-N 0 3 359.413 3.002 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000297509442 498475890 /nfs/dbraw/zinc/47/58/90/498475890.db2.gz BYKPYCQWOOTLBI-GOSISDBHSA-N 0 3 365.905 3.055 20 30 FGEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331998807 498528459 /nfs/dbraw/zinc/52/84/59/498528459.db2.gz VSXUIVPWFXJBPK-LSDHHAIUSA-N 0 3 374.554 3.242 20 30 FGEDHN Cc1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1C#N ZINC000302783951 498573611 /nfs/dbraw/zinc/57/36/11/498573611.db2.gz UFSVSHZNEYEHCX-UHFFFAOYSA-N 0 3 361.493 3.406 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3ccnc(C)n3)cc2)CC1 ZINC000362970474 498592258 /nfs/dbraw/zinc/59/22/58/498592258.db2.gz LJDFJMWACCTSCT-UHFFFAOYSA-N 0 3 351.454 3.224 20 30 FGEDHN CC1(C(=O)Nc2n[nH]c(C3CC3)c2C#N)CCN(Cc2ccccc2)CC1 ZINC000290604593 498615183 /nfs/dbraw/zinc/61/51/83/498615183.db2.gz RLSKNGSJHDGWDS-UHFFFAOYSA-N 0 3 363.465 3.400 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)NCC3CCC(C#N)CC3)cc2)CC1 ZINC000282719843 498626120 /nfs/dbraw/zinc/62/61/20/498626120.db2.gz NUIIPTZBZTWCTE-UHFFFAOYSA-N 0 3 368.525 3.277 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000303043317 498643151 /nfs/dbraw/zinc/64/31/51/498643151.db2.gz WTVOCQATWURRQE-FQEVSTJZSA-N 0 3 354.425 3.349 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000298050852 498650036 /nfs/dbraw/zinc/65/00/36/498650036.db2.gz IPDDYOWEGFFXKL-HKUYNNGSSA-N 0 3 354.498 3.375 20 30 FGEDHN C=CCN(Cc1nnc(C(C)C)n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363185096 498693172 /nfs/dbraw/zinc/69/31/72/498693172.db2.gz PFDOUPYGRUJDBZ-IBGZPJMESA-N 0 3 353.514 3.201 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000287432846 498753718 /nfs/dbraw/zinc/75/37/18/498753718.db2.gz VUCUMXPHAQRUET-KEYYUXOJSA-N 0 3 363.483 3.415 20 30 FGEDHN C[C@@H]1CN(c2ccccc2CNCc2ccc(OCC#N)cc2)CCO1 ZINC000298463451 498780032 /nfs/dbraw/zinc/78/00/32/498780032.db2.gz OMODTLJGEKXZRM-QGZVFWFLSA-N 0 3 351.450 3.104 20 30 FGEDHN Cc1c(CNC[C@H](O)COc2ccc(CC#N)cc2)oc2ccccc12 ZINC000572953624 506092061 /nfs/dbraw/zinc/09/20/61/506092061.db2.gz NKTIJOFZGXQDAF-KRWDZBQOSA-N 0 3 350.418 3.337 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC=C(c3cncc(F)c3)CC2)cc1 ZINC000366269189 498851672 /nfs/dbraw/zinc/85/16/72/498851672.db2.gz ZZDMTXPSECTICG-GOSISDBHSA-N 0 3 360.392 3.091 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C#N)CC2)N(C)C)cc1 ZINC000287888599 498893565 /nfs/dbraw/zinc/89/35/65/498893565.db2.gz GCGUFKUDAQPTRY-LJQANCHMSA-N 0 3 358.486 3.022 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2COc3c2cccc3Cl)cc1 ZINC000366375620 498899115 /nfs/dbraw/zinc/89/91/15/498899115.db2.gz KTONUJUUWNIAAF-PBHICJAKSA-N 0 3 351.793 3.144 20 30 FGEDHN CC1CCC(N2CCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)CC1 ZINC000328762745 498930401 /nfs/dbraw/zinc/93/04/01/498930401.db2.gz ZMWXYKZRELONJY-OFLPRAFFSA-N 0 3 362.518 3.138 20 30 FGEDHN CC1CCC(N2CCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)CC1 ZINC000328762744 498930604 /nfs/dbraw/zinc/93/06/04/498930604.db2.gz ZMWXYKZRELONJY-JCYILVPMSA-N 0 3 362.518 3.138 20 30 FGEDHN CC(C(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000328796687 498941848 /nfs/dbraw/zinc/94/18/48/498941848.db2.gz UZNZMGRXBVWASI-DYVFJYSZSA-N 0 3 351.468 3.003 20 30 FGEDHN O=C(NCc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1)C1CCCC1 ZINC000328836150 498955191 /nfs/dbraw/zinc/95/51/91/498955191.db2.gz MTQLEMHATUCGNI-IBGZPJMESA-N 0 3 355.482 3.254 20 30 FGEDHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328876781 498970768 /nfs/dbraw/zinc/97/07/68/498970768.db2.gz ZWVFOVWXGMSFNL-CRAIPNDOSA-N 0 3 359.470 3.194 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000329000909 499011578 /nfs/dbraw/zinc/01/15/78/499011578.db2.gz LBUKAFWAVXYQRO-HOTGVXAUSA-N 0 3 369.513 3.492 20 30 FGEDHN COCCn1ncc2c1[C@H](N[C@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000363908003 499048230 /nfs/dbraw/zinc/04/82/30/499048230.db2.gz KILWXTMEIHYICG-DNVCBOLYSA-N 0 3 354.454 3.160 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000295595139 499058840 /nfs/dbraw/zinc/05/88/40/499058840.db2.gz RTBFZNKHZHNDEI-RYQLBKOJSA-N 0 3 361.436 3.342 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000329161514 499059241 /nfs/dbraw/zinc/05/92/41/499059241.db2.gz FIAXPPMINSLLDP-XBFCOCLRSA-N 0 3 370.280 3.443 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](C)[C@@H](C)CO)c1C#N ZINC000295705000 499084740 /nfs/dbraw/zinc/08/47/40/499084740.db2.gz JQHWOXOYYFVQMX-DZGCQCFKSA-N 0 3 360.502 3.027 20 30 FGEDHN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1=CCN(C)CC1 ZINC000329261812 499087014 /nfs/dbraw/zinc/08/70/14/499087014.db2.gz AZRZPYSTZZSRSS-ZFWWWQNUSA-N 0 3 361.873 3.300 20 30 FGEDHN COCCN1CC[C@H](NC(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 ZINC000329294220 499092414 /nfs/dbraw/zinc/09/24/14/499092414.db2.gz JMUSDFARJMPWFR-KVZIAJEVSA-N 0 3 363.477 3.076 20 30 FGEDHN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000329296236 499093115 /nfs/dbraw/zinc/09/31/15/499093115.db2.gz STOQXRNBDKEWRO-NXHRZFHOSA-N 0 3 373.497 3.067 20 30 FGEDHN CC(C(=O)NC[C@@H]1C[C@H]1C1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000329353841 499106747 /nfs/dbraw/zinc/10/67/47/499106747.db2.gz VEPKDMDQTGIDCS-KMFMINBZSA-N 0 3 357.516 3.142 20 30 FGEDHN CSCc1cccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000576340357 506135149 /nfs/dbraw/zinc/13/51/49/506135149.db2.gz SAUAICGJTXBZRZ-LJQANCHMSA-N 0 3 356.491 3.145 20 30 FGEDHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329463808 499125214 /nfs/dbraw/zinc/12/52/14/499125214.db2.gz UNWARJGRDWCHND-IPMKNSEASA-N 0 3 370.497 3.006 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NC[C@H]3CCCN(Cc4cccnc4)C3)CC2)cc1 ZINC000372576178 499148376 /nfs/dbraw/zinc/14/83/76/499148376.db2.gz UCESYGBABLNQFW-HXUWFJFHSA-N 0 3 374.488 3.013 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000367515109 499207962 /nfs/dbraw/zinc/20/79/62/499207962.db2.gz XUYOFFYOMOOMBQ-JOCHJYFZSA-N 0 3 363.436 3.436 20 30 FGEDHN CC(C)(C)c1cnc(CNC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000370507714 499227113 /nfs/dbraw/zinc/22/71/13/499227113.db2.gz KSRABEYKSAMGKY-UHFFFAOYSA-N 0 3 355.511 3.466 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000370664169 499241886 /nfs/dbraw/zinc/24/18/86/499241886.db2.gz CCVKLBHVWVGNER-PKOBYXMFSA-N 0 3 363.461 3.462 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@](O)(c2ccccc2)CC1 ZINC000368070399 499261176 /nfs/dbraw/zinc/26/11/76/499261176.db2.gz JJDGYJNTXGAGFW-HXUWFJFHSA-N 0 3 369.490 3.322 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371656151 499351395 /nfs/dbraw/zinc/35/13/95/499351395.db2.gz QJVAWINBMMOPLR-GOSISDBHSA-N 0 3 359.433 3.184 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000369134700 499369242 /nfs/dbraw/zinc/36/92/42/499369242.db2.gz PAAKCYQZJOKBBQ-YLJYHZDGSA-N 0 3 363.392 3.060 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000369305168 499389608 /nfs/dbraw/zinc/38/96/08/499389608.db2.gz JUGJLKDWSMFBHJ-KDOFPFPSSA-N 0 3 371.400 3.168 20 30 FGEDHN CCCN1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000369335403 499392311 /nfs/dbraw/zinc/39/23/11/499392311.db2.gz PTMQVHOJYUTWSR-UHFFFAOYSA-N 0 3 367.449 3.288 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369531588 499413628 /nfs/dbraw/zinc/41/36/28/499413628.db2.gz NRXNCXQHMAVEDH-HKUYNNGSSA-N 0 3 368.506 3.454 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000372413465 499432016 /nfs/dbraw/zinc/43/20/16/499432016.db2.gz LVKFMSUXPIAJPW-FQEVSTJZSA-N 0 3 354.498 3.013 20 30 FGEDHN Cn1nccc1[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000373021016 499447779 /nfs/dbraw/zinc/44/77/79/499447779.db2.gz DQXSCOAONJBLSJ-OAHLLOKOSA-N 0 3 371.872 3.153 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000373264962 499460552 /nfs/dbraw/zinc/46/05/52/499460552.db2.gz SAWJQGSPCWMGOK-RTBURBONSA-N 0 3 362.539 3.448 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000373340361 499464222 /nfs/dbraw/zinc/46/42/22/499464222.db2.gz QERYFABZMVXYKF-KRWDZBQOSA-N 0 3 361.449 3.064 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(NC(=O)c3cccs3)CC2)cc1 ZINC000378354275 499506024 /nfs/dbraw/zinc/50/60/24/499506024.db2.gz ILXBMLVUWZBUIF-OAHLLOKOSA-N 0 3 369.490 3.433 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCCC23CCOCC3)c2ccccc21 ZINC000378363217 499507117 /nfs/dbraw/zinc/50/71/17/499507117.db2.gz VPXVJZZJQCEDMA-UHFFFAOYSA-N 0 3 351.450 3.383 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC2CCN(c3ncccn3)CC2)cc1 ZINC000375534623 499529545 /nfs/dbraw/zinc/52/95/45/499529545.db2.gz VIMQXKVPOVVLBM-IBGZPJMESA-N 0 3 351.454 3.089 20 30 FGEDHN CCOC(=O)[C@H]1CN(CCCC2(C#N)CCOCC2)Cc2ccccc21 ZINC000375619624 499538557 /nfs/dbraw/zinc/53/85/57/499538557.db2.gz FUOSBODMNWPIFU-IBGZPJMESA-N 0 3 356.466 3.249 20 30 FGEDHN CCC[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000582176344 506151786 /nfs/dbraw/zinc/15/17/86/506151786.db2.gz OSUIGNPECZQYAT-IBGZPJMESA-N 0 3 356.491 3.333 20 30 FGEDHN Cc1ccc(N2CCC[C@H](NCc3ccc(F)c(C#N)c3Cl)C2)nn1 ZINC000376983254 499651686 /nfs/dbraw/zinc/65/16/86/499651686.db2.gz RHJPZHZNLHXIQX-AWEZNQCLSA-N 0 3 359.836 3.208 20 30 FGEDHN CN(C)CCOc1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)ccn1 ZINC000410630807 499671392 /nfs/dbraw/zinc/67/13/92/499671392.db2.gz JLHFXEUTCJTSJI-UHFFFAOYSA-N 0 3 366.465 3.101 20 30 FGEDHN CCc1nccc([C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000377427820 499689625 /nfs/dbraw/zinc/68/96/25/499689625.db2.gz IPTAUQIHERBVEN-QGZVFWFLSA-N 0 3 363.465 3.119 20 30 FGEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1F ZINC000412012053 499812714 /nfs/dbraw/zinc/81/27/14/499812714.db2.gz QAVODGDNXUHYHH-HXUWFJFHSA-N 0 3 354.425 3.317 20 30 FGEDHN C=CC[C@H]1N(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3)CCCC1(C)C ZINC000415198651 499875889 /nfs/dbraw/zinc/87/58/89/499875889.db2.gz UUOJSPAQLFSUGF-QGZVFWFLSA-N 0 3 373.472 3.003 20 30 FGEDHN Cc1cc(NCC2CCN(c3ccncc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413238564 499931378 /nfs/dbraw/zinc/93/13/78/499931378.db2.gz YHSUOGZIYMOUAT-UHFFFAOYSA-N 0 3 351.410 3.498 20 30 FGEDHN C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000424835889 499951361 /nfs/dbraw/zinc/95/13/61/499951361.db2.gz LYWCDEFIWQASAI-HXUWFJFHSA-N 0 3 355.526 3.007 20 30 FGEDHN N#Cc1ccc(CCC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000425005726 499991150 /nfs/dbraw/zinc/99/11/50/499991150.db2.gz OYDFMDHZNTUIEY-FCHUYYIVSA-N 0 3 359.473 3.224 20 30 FGEDHN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(C)CC1 ZINC000425085049 500015139 /nfs/dbraw/zinc/01/51/39/500015139.db2.gz KYRNSZXQMDWZHE-ZDUSSCGKSA-N 0 3 353.388 3.288 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000429180819 500020066 /nfs/dbraw/zinc/02/00/66/500020066.db2.gz LAJBXKHNNBGSCG-BFUOFWGJSA-N 0 3 355.463 3.240 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000421480040 500058986 /nfs/dbraw/zinc/05/89/86/500058986.db2.gz VFCXCLQAJCQXHS-UHFFFAOYSA-N 0 3 364.493 3.455 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC000416694136 500089028 /nfs/dbraw/zinc/08/90/28/500089028.db2.gz SNQDVKRVBJOQRE-HXUWFJFHSA-N 0 3 357.498 3.280 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000425420719 500099832 /nfs/dbraw/zinc/09/98/32/500099832.db2.gz SUMXPVZKNBXBSG-DFQSSKMNSA-N 0 3 354.498 3.451 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)Cc3ccccc3)CC2)c(F)c1 ZINC000425457697 500112058 /nfs/dbraw/zinc/11/20/58/500112058.db2.gz LASHFKRUNZBUHX-SFHVURJKSA-N 0 3 354.425 3.144 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1Cl ZINC000429708557 500127124 /nfs/dbraw/zinc/12/71/24/500127124.db2.gz MZKUJCNNFBKXDB-BMGDILEWSA-N 0 3 359.857 3.087 20 30 FGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000429704589 500127794 /nfs/dbraw/zinc/12/77/94/500127794.db2.gz AMBBSCGTINABHO-AWEZNQCLSA-N 0 3 357.420 3.472 20 30 FGEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1c(F)cc(C#N)cc1F ZINC000425600682 500157921 /nfs/dbraw/zinc/15/79/21/500157921.db2.gz DKMLSCMBBRUCJH-OAHLLOKOSA-N 0 3 355.388 3.360 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000425634115 500165719 /nfs/dbraw/zinc/16/57/19/500165719.db2.gz BQFJKNUPYPEGLM-FUHWJXTLSA-N 0 3 358.511 3.092 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)N(C)C)cc1 ZINC000425769802 500196208 /nfs/dbraw/zinc/19/62/08/500196208.db2.gz PEWSARQVXMBECM-SXLOBPIMSA-N 0 3 356.514 3.479 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)NCc2ccc(C#N)s2)N(C)C)cc1 ZINC000422200310 500232874 /nfs/dbraw/zinc/23/28/74/500232874.db2.gz CHYGUSSTBUMRIV-KRWDZBQOSA-N 0 3 374.535 3.444 20 30 FGEDHN CN(C)C1(CNC(=O)c2cccc(SCC#N)c2)Cc2ccccc2C1 ZINC000430626919 500263606 /nfs/dbraw/zinc/26/36/06/500263606.db2.gz MUQLTSJAQBUFIK-UHFFFAOYSA-N 0 3 365.502 3.131 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000426998181 500343194 /nfs/dbraw/zinc/34/31/94/500343194.db2.gz OZPMZSHJFMYKJC-UHFFFAOYSA-N 0 3 367.424 3.102 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(OC)ccn1 ZINC000427121323 500355912 /nfs/dbraw/zinc/35/59/12/500355912.db2.gz IEFZUSOUIZXEDL-UHFFFAOYSA-N 0 3 373.526 3.188 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000431723534 500415110 /nfs/dbraw/zinc/41/51/10/500415110.db2.gz KMBDGJHWOKWOBG-UHFFFAOYSA-N 0 3 366.465 3.171 20 30 FGEDHN N#Cc1cnc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(Cl)c1 ZINC000427918196 500445586 /nfs/dbraw/zinc/44/55/86/500445586.db2.gz XOYAATYXVBQDFT-KRWDZBQOSA-N 0 3 354.841 3.174 20 30 FGEDHN Cc1cc(CN(C)C(=O)[C@@H](N)CCCC#N)cc(C)c1OCC(F)(F)F ZINC000424089034 500450618 /nfs/dbraw/zinc/45/06/18/500450618.db2.gz IDTLBLFBLISLKS-HNNXBMFYSA-N 0 3 371.403 3.224 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000424098230 500452816 /nfs/dbraw/zinc/45/28/16/500452816.db2.gz SLKUIQBPJNCRMU-ZDUSSCGKSA-N 0 3 361.339 3.063 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000424109722 500455203 /nfs/dbraw/zinc/45/52/03/500455203.db2.gz BCLDBILRGKZDJU-KRWDZBQOSA-N 0 3 357.458 3.054 20 30 FGEDHN COc1ccc2c(c1)CN(C(=O)[C@@H](N)CCCC#N)[C@@H](c1ccccc1)C2 ZINC000424129397 500458198 /nfs/dbraw/zinc/45/81/98/500458198.db2.gz SURPJVLNPTZMCG-LEWJYISDSA-N 0 3 363.461 3.342 20 30 FGEDHN CCc1sc(NC(=O)[C@H](N)CCCC#N)nc1-c1ccc(OC)cc1 ZINC000424138890 500459621 /nfs/dbraw/zinc/45/96/21/500459621.db2.gz NDMYDNBMXODHFA-CQSZACIVSA-N 0 3 358.467 3.341 20 30 FGEDHN C[C@H]1Cc2cc(-c3ccc(CNC(=O)[C@H](N)CCCC#N)cc3)ccc2O1 ZINC000424166750 500462654 /nfs/dbraw/zinc/46/26/54/500462654.db2.gz GLOUWYUKMINIEA-MGPUTAFESA-N 0 3 363.461 3.314 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](CCO)CC2)c1 ZINC000421021015 500555696 /nfs/dbraw/zinc/55/56/96/500555696.db2.gz RXBSCHAFHZBBSI-PMACEKPBSA-N 0 3 371.525 3.423 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](CCO)CC2)c1 ZINC000421021017 500556059 /nfs/dbraw/zinc/55/60/59/500556059.db2.gz RXBSCHAFHZBBSI-UXHICEINSA-N 0 3 371.525 3.423 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000442682928 500610712 /nfs/dbraw/zinc/61/07/12/500610712.db2.gz PNNJOICYGDLVCB-FQEVSTJZSA-N 0 3 362.521 3.369 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000437479065 500648931 /nfs/dbraw/zinc/64/89/31/500648931.db2.gz CWKSYUOEGMJHIF-QINHECLXSA-N 0 3 357.498 3.279 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000433231003 500651267 /nfs/dbraw/zinc/65/12/67/500651267.db2.gz IZKLQBWUKVSHKK-HXUWFJFHSA-N 0 3 358.445 3.304 20 30 FGEDHN N#CCCn1cc(CNCCOC2CCCCC2)c(-c2ccncc2)n1 ZINC000433304535 500666544 /nfs/dbraw/zinc/66/65/44/500666544.db2.gz LENUHBFLOJBWBI-UHFFFAOYSA-N 0 3 353.470 3.298 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000437638604 500673300 /nfs/dbraw/zinc/67/33/00/500673300.db2.gz YOXFYLHTJVKJHR-WIYYLYMNSA-N 0 3 371.525 3.240 20 30 FGEDHN COc1cc(CN(C[C@H](O)COc2ccccc2)C(C)C)ccc1C#N ZINC000443066695 500673293 /nfs/dbraw/zinc/67/32/93/500673293.db2.gz RYVAMSARFYPRLS-IBGZPJMESA-N 0 3 354.450 3.217 20 30 FGEDHN Cn1c(CCNC(=O)C(C#N)CCc2ccccc2)nc2ccc(F)cc21 ZINC000433341675 500676458 /nfs/dbraw/zinc/67/64/58/500676458.db2.gz GMESEVJDGXHQRR-MRXNPFEDSA-N 0 3 364.424 3.144 20 30 FGEDHN Cn1cc(CNC(=O)C(C#N)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000433378556 500684449 /nfs/dbraw/zinc/68/44/49/500684449.db2.gz UKJQUPYFHSXDRL-LJQANCHMSA-N 0 3 358.445 3.476 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000438013540 500728460 /nfs/dbraw/zinc/72/84/60/500728460.db2.gz PBGPUTBMAFXOKS-VQTJNVASSA-N 0 3 359.514 3.049 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433952964 500770371 /nfs/dbraw/zinc/77/03/71/500770371.db2.gz YQRVVEHHPAFOJX-HXUWFJFHSA-N 0 3 354.498 3.497 20 30 FGEDHN C=CC[C@@H]1N(CC(=O)NCc2ccc(OC)c(OC)c2)CCCC1(C)C ZINC000444784260 500900301 /nfs/dbraw/zinc/90/03/01/500900301.db2.gz NDOSRZZDVXTWKA-IBGZPJMESA-N 0 3 360.498 3.387 20 30 FGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCOCc1ccccc1 ZINC000439467503 500900985 /nfs/dbraw/zinc/90/09/85/500900985.db2.gz JKNFVVPXJDZDPZ-GOSISDBHSA-N 0 3 357.498 3.256 20 30 FGEDHN COc1ccc(CN(C[C@@H](O)COc2ccccc2)C(C)C)cc1C#N ZINC000444801258 500903184 /nfs/dbraw/zinc/90/31/84/500903184.db2.gz LHLAILRSNXTAQC-LJQANCHMSA-N 0 3 354.450 3.217 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000439574155 500915142 /nfs/dbraw/zinc/91/51/42/500915142.db2.gz UWOMPEBYMJUSPR-HRAATJIYSA-N 0 3 371.444 3.200 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000435164000 500939835 /nfs/dbraw/zinc/93/98/35/500939835.db2.gz GDSVMTIIEFPWMD-GOSISDBHSA-N 0 3 352.413 3.483 20 30 FGEDHN COc1ccc(C#N)cc1CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440456056 501009979 /nfs/dbraw/zinc/00/99/79/501009979.db2.gz YGWPFXXIYXDCOG-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C=C(C)CCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449474323 501011337 /nfs/dbraw/zinc/01/13/37/501011337.db2.gz JBYOAUCZGPCRLW-GFCCVEGCSA-N 0 3 355.276 3.018 20 30 FGEDHN COc1cc(CNCc2ccc(C(=O)N3CCCCC3)cc2)ccc1C#N ZINC000440802603 501050344 /nfs/dbraw/zinc/05/03/44/501050344.db2.gz DOZJFRSDTHVVEP-UHFFFAOYSA-N 0 3 363.461 3.483 20 30 FGEDHN N#Cc1cccc(CNC(=O)NCCN2CCC3(CCCCC3)CC2)c1 ZINC000441023249 501076178 /nfs/dbraw/zinc/07/61/78/501076178.db2.gz SLTXPFAJEAKRRY-UHFFFAOYSA-N 0 3 354.498 3.404 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000449907979 501123197 /nfs/dbraw/zinc/12/31/97/501123197.db2.gz RBEOMRQMXLRLRU-HNAYVOBHSA-N 0 3 350.466 3.320 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C12CCCC2 ZINC000582467718 506238237 /nfs/dbraw/zinc/23/82/37/506238237.db2.gz LTBIGVKNKIYNIM-IAOVAPTHSA-N 0 3 359.470 3.423 20 30 FGEDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C#N)cc1F ZINC000436676684 501185686 /nfs/dbraw/zinc/18/56/86/501185686.db2.gz SAERRRUPRGNRRZ-CQSZACIVSA-N 0 3 367.424 3.358 20 30 FGEDHN CS(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1C(F)(F)F ZINC000447089001 501203978 /nfs/dbraw/zinc/20/39/78/501203978.db2.gz UMWNCIAIDLOTLE-YPMHNXCESA-N 0 3 360.401 3.281 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)C1CC1 ZINC000450765339 501204656 /nfs/dbraw/zinc/20/46/56/501204656.db2.gz RRWAWOZVHXDKLQ-KNQAVFIVSA-N 0 3 351.494 3.487 20 30 FGEDHN COc1cc(CN2CCC[C@@H](O)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000451461744 501297849 /nfs/dbraw/zinc/29/78/49/501297849.db2.gz STLUYFJSIZSHSC-OXQOHEQNSA-N 0 3 366.461 3.491 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](OCC)[C@H](C)C1)C(C)C ZINC000457763025 501304181 /nfs/dbraw/zinc/30/41/81/501304181.db2.gz YWGFAUPZAFLXBL-QRVBRYPASA-N 0 3 351.535 3.142 20 30 FGEDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C1(C)C ZINC000451490717 501305070 /nfs/dbraw/zinc/30/50/70/501305070.db2.gz AUMGQTNDZUZMDO-FFZOFVMBSA-N 0 3 357.498 3.199 20 30 FGEDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C1(C)C ZINC000451490723 501305162 /nfs/dbraw/zinc/30/51/62/501305162.db2.gz AUMGQTNDZUZMDO-PWIZWCRZSA-N 0 3 357.498 3.199 20 30 FGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000453361197 501320243 /nfs/dbraw/zinc/32/02/43/501320243.db2.gz AOJLTXOKBOWGRM-KKSFZXQISA-N 0 3 353.441 3.249 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453424340 501328549 /nfs/dbraw/zinc/32/85/49/501328549.db2.gz IRYHTPAWIPNDBD-MJGOQNOKSA-N 0 3 367.497 3.059 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453449150 501334504 /nfs/dbraw/zinc/33/45/04/501334504.db2.gz DYOPLJAMOOLUPM-KRWDZBQOSA-N 0 3 354.502 3.145 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453463456 501339142 /nfs/dbraw/zinc/33/91/42/501339142.db2.gz JNGYLCZJDAWWMF-QGZVFWFLSA-N 0 3 357.502 3.151 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453468200 501340308 /nfs/dbraw/zinc/34/03/08/501340308.db2.gz XIXAZBAAYNEOEA-FQBWVUSXSA-N 0 3 373.545 3.261 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000451673542 501348578 /nfs/dbraw/zinc/34/85/78/501348578.db2.gz LDKXRLORXBOQOX-WQVCFCJDSA-N 0 3 372.387 3.086 20 30 FGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC000451689189 501351189 /nfs/dbraw/zinc/35/11/89/501351189.db2.gz LGTSHUUXJMDWQC-TZMCWYRMSA-N 0 3 362.271 3.020 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455900116 501410548 /nfs/dbraw/zinc/41/05/48/501410548.db2.gz BOPOMEYEQSTLGT-IBGZPJMESA-N 0 3 352.438 3.186 20 30 FGEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000452020013 501419638 /nfs/dbraw/zinc/41/96/38/501419638.db2.gz MUPOIZSIASOIPP-QZTJIDSGSA-N 0 3 363.889 3.442 20 30 FGEDHN C=CC(C)(C)CNC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000458366299 501428321 /nfs/dbraw/zinc/42/83/21/501428321.db2.gz GSYHBZAKDYQYOA-QGZVFWFLSA-N 0 3 359.514 3.398 20 30 FGEDHN N#Cc1[n-]c(=NCC2CC[NH+](Cc3cccs3)CC2)sc1Cl ZINC000596096361 506254622 /nfs/dbraw/zinc/25/46/22/506254622.db2.gz HBOXQBRKERGVNE-UHFFFAOYSA-N 0 3 352.916 3.476 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)NCC(C)(C)CC#N)N(C)C)cc1 ZINC000458772638 501528506 /nfs/dbraw/zinc/52/85/06/501528506.db2.gz ZWYQWADFWKSICK-SFHVURJKSA-N 0 3 360.502 3.316 20 30 FGEDHN CN(C)[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000454382126 501528872 /nfs/dbraw/zinc/52/88/72/501528872.db2.gz OCFNERKUACXTHK-NRFANRHFSA-N 0 3 363.505 3.416 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000454462395 501551390 /nfs/dbraw/zinc/55/13/90/501551390.db2.gz SSUZXXJSFDEGPP-IBGZPJMESA-N 0 3 354.429 3.108 20 30 FGEDHN Cc1csc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000459031010 501579429 /nfs/dbraw/zinc/57/94/29/501579429.db2.gz VLHOLEVJILBUQH-UHFFFAOYSA-N 0 3 356.495 3.202 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459106518 501595372 /nfs/dbraw/zinc/59/53/72/501595372.db2.gz CPPPCMVAYDHQCW-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000452981784 501596079 /nfs/dbraw/zinc/59/60/79/501596079.db2.gz APVASPFMWKFDBJ-DOMZBBRYSA-N 0 3 354.372 3.046 20 30 FGEDHN CC(C)N1CC[C@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000457108682 501652061 /nfs/dbraw/zinc/65/20/61/501652061.db2.gz GDWVPWFIMXVLAR-SFHVURJKSA-N 0 3 367.449 3.285 20 30 FGEDHN CC[C@@H](CNC(=O)Nc1snc(C)c1C#N)N1CCc2ccccc2C1 ZINC000459552481 501675135 /nfs/dbraw/zinc/67/51/35/501675135.db2.gz UHPWBDDPWCGMET-INIZCTEOSA-N 0 3 369.494 3.282 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588313379 506268155 /nfs/dbraw/zinc/26/81/55/506268155.db2.gz OKVBFJRGGZINJM-CYBMUJFWSA-N 0 3 365.275 3.317 20 30 FGEDHN CO[C@H]1C[C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000459766777 501711268 /nfs/dbraw/zinc/71/12/68/501711268.db2.gz PTIKYEWXPWURLC-MOPGFXCFSA-N 0 3 355.482 3.097 20 30 FGEDHN C=CCCCN(C)C(=O)C(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000460060893 501725702 /nfs/dbraw/zinc/72/57/02/501725702.db2.gz UENKCUVJQQFYPZ-AZUAARDMSA-N 0 3 371.525 3.095 20 30 FGEDHN CC[C@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463507388 501746177 /nfs/dbraw/zinc/74/61/77/501746177.db2.gz PCOXKRBMKGGWKD-LEWJYISDSA-N 0 3 371.525 3.434 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000463532499 501753231 /nfs/dbraw/zinc/75/32/31/501753231.db2.gz NAIGWPIUOQXOCG-GOSISDBHSA-N 0 3 368.477 3.163 20 30 FGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)CC3 ZINC000485275011 501774873 /nfs/dbraw/zinc/77/48/73/501774873.db2.gz SPHFYTFUBSZYIS-IIBYNOLFSA-N 0 3 358.445 3.022 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccco1 ZINC000588339843 506272788 /nfs/dbraw/zinc/27/27/88/506272788.db2.gz RFQZMTCNFBXBOB-CXAGYDPISA-N 0 3 358.417 3.219 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470732264 501785029 /nfs/dbraw/zinc/78/50/29/501785029.db2.gz JYHUJBADLKUHRR-FCHUYYIVSA-N 0 3 374.488 3.440 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(Br)c2)cc1 ZINC000470785208 501802914 /nfs/dbraw/zinc/80/29/14/501802914.db2.gz UFJLVKFCACJVEE-MRXNPFEDSA-N 0 3 368.234 3.319 20 30 FGEDHN CN(CCCOc1ccc(F)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470819181 501815986 /nfs/dbraw/zinc/81/59/86/501815986.db2.gz COLSPYQLOKDTHC-GOSISDBHSA-N 0 3 365.408 3.307 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000470980100 501881504 /nfs/dbraw/zinc/88/15/04/501881504.db2.gz UJURXGAFLWTDNH-OXQOHEQNSA-N 0 3 369.428 3.304 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000471156567 501937643 /nfs/dbraw/zinc/93/76/43/501937643.db2.gz LCIWBGKKJIUOJY-BFUOFWGJSA-N 0 3 363.889 3.317 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2ccnn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464405937 501979982 /nfs/dbraw/zinc/97/99/82/501979982.db2.gz MRKSRUYHIFCDRM-CQSZACIVSA-N 0 3 357.295 3.171 20 30 FGEDHN Cc1cc(-n2cncn2)ccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464413239 501982458 /nfs/dbraw/zinc/98/24/58/501982458.db2.gz YKJQVHHULGKXHP-HNNXBMFYSA-N 0 3 371.322 3.480 20 30 FGEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596177761 506294549 /nfs/dbraw/zinc/29/45/49/506294549.db2.gz FZXOAEYYFWXSGU-HXUWFJFHSA-N 0 3 364.493 3.265 20 30 FGEDHN Cc1nn(C)c(N2CCN([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)c1C#N ZINC000471821718 502146144 /nfs/dbraw/zinc/14/61/44/502146144.db2.gz MDDCPGIUBMYHSS-UGKGYDQZSA-N 0 3 363.509 3.233 20 30 FGEDHN C[C@H](NCC(C)(C)c1c(F)cccc1Cl)C(=O)NC1(C#N)CCC1 ZINC000468850302 502206034 /nfs/dbraw/zinc/20/60/34/502206034.db2.gz DGNQHVZSLJMLEA-LBPRGKRZSA-N 0 3 351.853 3.297 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C#N)c1cccc(OC)c1 ZINC000461945498 502247352 /nfs/dbraw/zinc/24/73/52/502247352.db2.gz DNRUKHRYSIMODG-NZSAHSFTSA-N 0 3 358.486 3.070 20 30 FGEDHN COCCSc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000469036600 502273374 /nfs/dbraw/zinc/27/33/74/502273374.db2.gz PSPXWODMNJHVFN-GJZGRUSLSA-N 0 3 361.511 3.027 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000465545454 502300183 /nfs/dbraw/zinc/30/01/83/502300183.db2.gz NJTDFTLBDGMQOQ-NCXUSEDFSA-N 0 3 363.546 3.188 20 30 FGEDHN C[C@@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)c1ccc(C#N)cc1 ZINC000465652899 502336649 /nfs/dbraw/zinc/33/66/49/502336649.db2.gz IAMGONCGUBSYAL-MRXNPFEDSA-N 0 3 362.477 3.018 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465743516 502366204 /nfs/dbraw/zinc/36/62/04/502366204.db2.gz CESONPFTBZAZRX-DNVCBOLYSA-N 0 3 366.440 3.332 20 30 FGEDHN CCN1CC[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1C ZINC000469318810 502373953 /nfs/dbraw/zinc/37/39/53/502373953.db2.gz WUGJILVAYQJXLQ-WMLDXEAASA-N 0 3 352.438 3.158 20 30 FGEDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000483422539 502386111 /nfs/dbraw/zinc/38/61/11/502386111.db2.gz RFLNYKFXAUQQSF-TZIWHRDSSA-N 0 3 354.425 3.101 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000483559413 502431779 /nfs/dbraw/zinc/43/17/79/502431779.db2.gz HOYJIZUMRYJGPT-DGCLKSJQSA-N 0 3 371.409 3.072 20 30 FGEDHN CN(C)CCOc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)ccn1 ZINC000487422774 502439748 /nfs/dbraw/zinc/43/97/48/502439748.db2.gz WTMYZPVRVWFVAJ-IBGZPJMESA-N 0 3 366.465 3.187 20 30 FGEDHN COCCCN(C)CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000466074294 502471680 /nfs/dbraw/zinc/47/16/80/502471680.db2.gz KCCGVNJMFCWOOR-UHFFFAOYSA-N 0 3 365.477 3.176 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 ZINC000487593618 502486919 /nfs/dbraw/zinc/48/69/19/502486919.db2.gz RJTRUTAXXHFXQJ-GOSISDBHSA-N 0 3 365.477 3.224 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1c1cc[nH]n1)C(C)C ZINC000480525292 502592158 /nfs/dbraw/zinc/59/21/58/502592158.db2.gz ZJUUAQSYDXHACG-OALUTQOASA-N 0 3 359.518 3.345 20 30 FGEDHN COCCOc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(Cl)c1 ZINC000473489500 502608467 /nfs/dbraw/zinc/60/84/67/502608467.db2.gz KNIDFQHANFTRNY-HNNXBMFYSA-N 0 3 359.813 3.262 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N1CCc2ccccc2C1 ZINC000484470472 502648060 /nfs/dbraw/zinc/64/80/60/502648060.db2.gz FVACPOHCSOHXAM-UHFFFAOYSA-N 0 3 362.477 3.100 20 30 FGEDHN Cc1cc(C)c(NC(=O)CCCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602855075 506326723 /nfs/dbraw/zinc/32/67/23/506326723.db2.gz RQVYTZMGSMPAQZ-KDURUIRLSA-N 0 3 356.514 3.249 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCC[C@@H](O)C1 ZINC000488220103 502662630 /nfs/dbraw/zinc/66/26/30/502662630.db2.gz UFECEBUESPHREL-DLBZAZTESA-N 0 3 364.559 3.136 20 30 FGEDHN N#Cc1cccc(CCNC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000466806679 502687286 /nfs/dbraw/zinc/68/72/86/502687286.db2.gz NEEKKTATQLJCNH-UHFFFAOYSA-N 0 3 354.498 3.008 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCc1cccc(C#N)c1 ZINC000466822473 502694776 /nfs/dbraw/zinc/69/47/76/502694776.db2.gz MGQWJPHHCKRNRC-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN C[C@@H](CCc1ccsc1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488455216 502718742 /nfs/dbraw/zinc/71/87/42/502718742.db2.gz DUTGJSKUVSYRMI-KXBFYZLASA-N 0 3 353.491 3.332 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC(C)(C)C2)cc1 ZINC000481003264 502725070 /nfs/dbraw/zinc/72/50/70/502725070.db2.gz CYSOFDIVOLHNKD-DZGCQCFKSA-N 0 3 363.483 3.463 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000505039950 502844204 /nfs/dbraw/zinc/84/42/04/502844204.db2.gz RREGWOVSQHMKHD-GOSISDBHSA-N 0 3 370.541 3.437 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1coc(Br)c1)C(C)C ZINC000496014391 502869963 /nfs/dbraw/zinc/86/99/63/502869963.db2.gz OGFPBGBHXMVRAA-AWEZNQCLSA-N 0 3 355.276 3.471 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000513216131 502880399 /nfs/dbraw/zinc/88/03/99/502880399.db2.gz WZNNVAXZCWWWKR-AWEZNQCLSA-N 0 3 363.889 3.142 20 30 FGEDHN C[C@@H](NCC#CCN[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513415686 502931937 /nfs/dbraw/zinc/93/19/37/502931937.db2.gz KMOJSYXTNKZDJK-IYBDPMFKSA-N 0 3 372.476 3.444 20 30 FGEDHN C[C@@H](NCC#CCN[C@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513415685 502932004 /nfs/dbraw/zinc/93/20/04/502932004.db2.gz KMOJSYXTNKZDJK-HZPDHXFCSA-N 0 3 372.476 3.444 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000505558995 502936083 /nfs/dbraw/zinc/93/60/83/502936083.db2.gz HRRQYTHKQLTJBV-IAGOWNOFSA-N 0 3 357.498 3.304 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](COc2ccccc2)C1 ZINC000505813747 502991522 /nfs/dbraw/zinc/99/15/22/502991522.db2.gz UHFSRERWQVHALF-GOSISDBHSA-N 0 3 352.434 3.347 20 30 FGEDHN C=CCCCS(=O)(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000489595481 502994420 /nfs/dbraw/zinc/99/44/20/502994420.db2.gz ZARYRPSBVBSXLE-LJQANCHMSA-N 0 3 350.528 3.126 20 30 FGEDHN CCOc1ccc(CCC2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000501428981 503008773 /nfs/dbraw/zinc/00/87/73/503008773.db2.gz WGAOVQWMBQPLEY-GOSISDBHSA-N 0 3 371.525 3.490 20 30 FGEDHN CN(C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)Cc1ccccc1 ZINC000506045233 503035687 /nfs/dbraw/zinc/03/56/87/503035687.db2.gz ANFGPQPFYBQLEB-HXUWFJFHSA-N 0 3 365.452 3.018 20 30 FGEDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000506671772 503153728 /nfs/dbraw/zinc/15/37/28/503153728.db2.gz ZEYDZWYRRVAKAG-QGZVFWFLSA-N 0 3 373.497 3.118 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000506929573 503196173 /nfs/dbraw/zinc/19/61/73/503196173.db2.gz RTMMPSZKTMGESA-KBXCAEBGSA-N 0 3 361.438 3.021 20 30 FGEDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000593046860 506358208 /nfs/dbraw/zinc/35/82/08/506358208.db2.gz UHJWPYOWOPDBOB-IFMALSPDSA-N 0 3 368.452 3.295 20 30 FGEDHN COc1cc(CN[C@H](C)[C@@H](c2ccccc2)N2CCOCC2)ccc1C#N ZINC000514895206 503221496 /nfs/dbraw/zinc/22/14/96/503221496.db2.gz XZKNWGWPISDYBR-VGSWGCGISA-N 0 3 365.477 3.118 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@H]2OC(F)F)c(C#N)c1C ZINC000502564368 503226687 /nfs/dbraw/zinc/22/66/87/503226687.db2.gz VCAITMGUPMZUDH-ZLKJLUDKSA-N 0 3 355.385 3.235 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)s1 ZINC000507211517 503251202 /nfs/dbraw/zinc/25/12/02/503251202.db2.gz MRWLMUOSAFBXRF-UPJWGTAASA-N 0 3 357.483 3.286 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOCc1ccccc1 ZINC000499043506 503319877 /nfs/dbraw/zinc/31/98/77/503319877.db2.gz LGCCFPGFACGAPJ-UHFFFAOYSA-N 0 3 365.477 3.055 20 30 FGEDHN COc1ccc2c(c1)OC[C@H](NCc1cccc(OCCCC#N)c1)C2 ZINC000503247115 503375993 /nfs/dbraw/zinc/37/59/93/503375993.db2.gz RBXOGGLCQRQVPW-GOSISDBHSA-N 0 3 352.434 3.471 20 30 FGEDHN N#Cc1ccc(OC2CCN(CCOCCOc3ccccc3)CC2)cc1 ZINC000507832628 503376154 /nfs/dbraw/zinc/37/61/54/503376154.db2.gz BLQUCXTUIAXKER-UHFFFAOYSA-N 0 3 366.461 3.497 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503378745 503398003 /nfs/dbraw/zinc/39/80/03/503398003.db2.gz UDHWGCBGOFDYKL-ZWKOTPCHSA-N 0 3 358.530 3.212 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@@H]2OCc2ccccc2)CCCCC1 ZINC000503530769 503431116 /nfs/dbraw/zinc/43/11/16/503431116.db2.gz MJUGUFVZLOEADA-OALUTQOASA-N 0 3 355.482 3.057 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000508143635 503440019 /nfs/dbraw/zinc/44/00/19/503440019.db2.gz AZLKCUZINMKHQN-UHFFFAOYSA-N 0 3 356.514 3.458 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)cc1 ZINC000516148420 503455727 /nfs/dbraw/zinc/45/57/27/503455727.db2.gz ZTVZLLJXBCSAQY-RCCFBDPRSA-N 0 3 352.438 3.124 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CC(=C)C)Cc2cnn(C(C)C)c2)CC1 ZINC000494128912 503492215 /nfs/dbraw/zinc/49/22/15/503492215.db2.gz UQAWFQBYSJVGRW-UHFFFAOYSA-N 0 3 359.518 3.202 20 30 FGEDHN C=CCC[C@H](O)CN[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494211274 503503482 /nfs/dbraw/zinc/50/34/82/503503482.db2.gz FHHSGRUSWVGZAI-UCLAIMLFSA-N 0 3 368.880 3.446 20 30 FGEDHN CCCN(CCN1CCCCCC1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000588904411 506376217 /nfs/dbraw/zinc/37/62/17/506376217.db2.gz JIGYGEKYJIDUMM-UHFFFAOYSA-N 0 3 363.527 3.029 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000504127204 503527505 /nfs/dbraw/zinc/52/75/05/503527505.db2.gz ZEGYIEHQYRYZQU-HNJRGHQBSA-N 0 3 359.514 3.267 20 30 FGEDHN Cc1ccc(C#N)c(NCCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000500271564 503593575 /nfs/dbraw/zinc/59/35/75/503593575.db2.gz KKLYZAVIIOQBGH-UHFFFAOYSA-N 0 3 363.509 3.272 20 30 FGEDHN C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512665719 503607412 /nfs/dbraw/zinc/60/74/12/503607412.db2.gz HGAKAIPTBQUXDF-KKSFZXQISA-N 0 3 353.441 3.421 20 30 FGEDHN C=C(CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000512676495 503610001 /nfs/dbraw/zinc/61/00/01/503610001.db2.gz CWRSDXDCKTYQRH-KDURUIRLSA-N 0 3 371.525 3.231 20 30 FGEDHN N#Cc1cnc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c(Cl)c1 ZINC000533208141 503761207 /nfs/dbraw/zinc/76/12/07/503761207.db2.gz ZNAZMXVXHLVCOW-KRWDZBQOSA-N 0 3 354.841 3.174 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000540458070 503777092 /nfs/dbraw/zinc/77/70/92/503777092.db2.gz MHWIIWJBWDPGSO-MJGOQNOKSA-N 0 3 365.477 3.287 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000517732801 503820920 /nfs/dbraw/zinc/82/09/20/503820920.db2.gz MBUMKOJSHRZZEI-IEBWSBKVSA-N 0 3 372.465 3.397 20 30 FGEDHN C[C@@H](c1ccc(-c2ccc(F)c(C#N)c2)cc1)N1CCN(CCO)CC1 ZINC000527586740 503843756 /nfs/dbraw/zinc/84/37/56/503843756.db2.gz GLWQGAQJDOAKQW-INIZCTEOSA-N 0 3 353.441 3.035 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000530234025 503886156 /nfs/dbraw/zinc/88/61/56/503886156.db2.gz MTQUVYVBFGVMOT-KXBFYZLASA-N 0 3 358.388 3.243 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000518052540 503899803 /nfs/dbraw/zinc/89/98/03/503899803.db2.gz OTCIRDDCQKFCQI-ZIAGYGMSSA-N 0 3 374.554 3.207 20 30 FGEDHN Cn1cc(CNC[C@@]2(C)COc3ccccc3O2)c(-c2ccc(C#N)cc2)n1 ZINC000527740298 503922447 /nfs/dbraw/zinc/92/24/47/503922447.db2.gz ZLUMKRGLGQFOCG-QFIPXVFZSA-N 0 3 374.444 3.278 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2ccccc2C(C)(C)C)CC1 ZINC000518224845 503930890 /nfs/dbraw/zinc/93/08/90/503930890.db2.gz YTUMCOGOVNLBAX-UHFFFAOYSA-N 0 3 359.514 3.313 20 30 FGEDHN CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c([O-])c1 ZINC000527808729 503954659 /nfs/dbraw/zinc/95/46/59/503954659.db2.gz BZECTEIHEDQTIB-UHFFFAOYSA-N 0 3 352.434 3.458 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000541043833 503983796 /nfs/dbraw/zinc/98/37/96/503983796.db2.gz ZDXLBNIYZIZMFO-UHFFFAOYSA-N 0 3 372.391 3.303 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000533944853 503998136 /nfs/dbraw/zinc/99/81/36/503998136.db2.gz VNBLMGWPCABGKG-OAQYLSRUSA-N 0 3 372.509 3.080 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000541111587 504012103 /nfs/dbraw/zinc/01/21/03/504012103.db2.gz IHWXNXJGUVBPFS-HDNWHIHDSA-N 0 3 373.518 3.243 20 30 FGEDHN CS[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1N(C)C ZINC000534092276 504038192 /nfs/dbraw/zinc/03/81/92/504038192.db2.gz ZIHFEXRMMMCETH-VQTJNVASSA-N 0 3 365.502 3.343 20 30 FGEDHN Cc1cccc2ncc(CN[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)n21 ZINC000530904125 504124796 /nfs/dbraw/zinc/12/47/96/504124796.db2.gz JSLZZJHKQHXUTR-QGZVFWFLSA-N 0 3 363.440 3.412 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000538190908 504156135 /nfs/dbraw/zinc/15/61/35/504156135.db2.gz KBEDUCXHILEAKT-SFHVURJKSA-N 0 3 351.450 3.041 20 30 FGEDHN Cc1nnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)o1 ZINC000544553509 504171245 /nfs/dbraw/zinc/17/12/45/504171245.db2.gz GPTVJJSKKZXGKB-HNNXBMFYSA-N 0 3 357.373 3.422 20 30 FGEDHN Cc1nnc(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)o1 ZINC000544553509 504171249 /nfs/dbraw/zinc/17/12/49/504171249.db2.gz GPTVJJSKKZXGKB-HNNXBMFYSA-N 0 3 357.373 3.422 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000538270282 504182199 /nfs/dbraw/zinc/18/21/99/504182199.db2.gz PJMJTSVZQFWOCT-WMZOPIPTSA-N 0 3 351.450 3.039 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000538275351 504184902 /nfs/dbraw/zinc/18/49/02/504184902.db2.gz DMPONQWNLVTRRT-ICSRJNTNSA-N 0 3 357.498 3.265 20 30 FGEDHN Cc1ccc(C)n1C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528368361 504191442 /nfs/dbraw/zinc/19/14/42/504191442.db2.gz ONFMPTROJURKFT-FQEVSTJZSA-N 0 3 353.466 3.053 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNC[C@]2(O)CCSC2)c1 ZINC000531347327 504275041 /nfs/dbraw/zinc/27/50/41/504275041.db2.gz ZOAYPRQOKVHRRY-HXUWFJFHSA-N 0 3 354.475 3.095 20 30 FGEDHN CC[C@@H](CC(F)(F)F)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000544867227 504285127 /nfs/dbraw/zinc/28/51/27/504285127.db2.gz IQQFPZJKHXBHRM-INIZCTEOSA-N 0 3 370.419 3.362 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(OC(C)C)CC2)c(OC)c1 ZINC000531402156 504294236 /nfs/dbraw/zinc/29/42/36/504294236.db2.gz DIFZWDGMCDEXOQ-GOSISDBHSA-N 0 3 363.498 3.053 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)N2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC000541921496 504301728 /nfs/dbraw/zinc/30/17/28/504301728.db2.gz JVQDDDIODVBFMI-PXNSSMCTSA-N 0 3 354.498 3.375 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CN1C1CC1 ZINC000531482921 504323606 /nfs/dbraw/zinc/32/36/06/504323606.db2.gz VZBCWUDBLBOQSS-YOEHRIQHSA-N 0 3 362.433 3.101 20 30 FGEDHN CC1CCC(N(C)C(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000528781190 504376564 /nfs/dbraw/zinc/37/65/64/504376564.db2.gz HAAZWRBIDHORSF-UHFFFAOYSA-N 0 3 369.509 3.191 20 30 FGEDHN C[C@@H]1[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000538955094 504428620 /nfs/dbraw/zinc/42/86/20/504428620.db2.gz ZEMHIGLFIRWUCB-CABCVRRESA-N 0 3 374.554 3.242 20 30 FGEDHN CC[C@H](c1cccc(OC)c1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000520211346 504435955 /nfs/dbraw/zinc/43/59/55/504435955.db2.gz DHAMCBBQNULNGM-GHTZIAJQSA-N 0 3 354.450 3.390 20 30 FGEDHN C=CCNC(=O)CN[C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000539361276 504541379 /nfs/dbraw/zinc/54/13/79/504541379.db2.gz POAPZFBECUAPCG-OAQYLSRUSA-N 0 3 352.478 3.488 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000548809339 504575080 /nfs/dbraw/zinc/57/50/80/504575080.db2.gz IQMCNEKGSJUTGX-HXUWFJFHSA-N 0 3 370.541 3.437 20 30 FGEDHN C[C@@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1cccc(C#N)c1 ZINC000539497934 504590454 /nfs/dbraw/zinc/59/04/54/504590454.db2.gz AAYSVGFMNOTMOB-VQIMIIECSA-N 0 3 354.523 3.259 20 30 FGEDHN COC(=O)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000539505141 504592628 /nfs/dbraw/zinc/59/26/28/504592628.db2.gz KDCWGYBSDUOLLX-GOSISDBHSA-N 0 3 367.424 3.243 20 30 FGEDHN O=C(NCCNc1ccncc1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000536017694 504610092 /nfs/dbraw/zinc/61/00/92/504610092.db2.gz MYWHBHJJEDSFBW-UHFFFAOYSA-N 0 3 356.429 3.137 20 30 FGEDHN C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)c(F)c1 ZINC000539603069 504622282 /nfs/dbraw/zinc/62/22/82/504622282.db2.gz YDEBDNGKORLLNQ-UZLBHIALSA-N 0 3 353.441 3.249 20 30 FGEDHN COc1ccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1C#N ZINC000549076282 504675793 /nfs/dbraw/zinc/67/57/93/504675793.db2.gz BVFMTIKIPRVANK-UHFFFAOYSA-N 0 3 359.433 3.312 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1OC ZINC000539830131 504706879 /nfs/dbraw/zinc/70/68/79/504706879.db2.gz CDLHZINSKBODLQ-SFHVURJKSA-N 0 3 358.482 3.094 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000532698490 504739130 /nfs/dbraw/zinc/73/91/30/504739130.db2.gz BHBUEKRPXFBRQH-LJQANCHMSA-N 0 3 354.425 3.496 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2OCc2ccncc2)CC1 ZINC000521578030 504759263 /nfs/dbraw/zinc/75/92/63/504759263.db2.gz RXCZINGEXYCZGD-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000556082757 504792183 /nfs/dbraw/zinc/79/21/83/504792183.db2.gz CTKVTQHEFNCZDT-UHFFFAOYSA-N 0 3 374.554 3.243 20 30 FGEDHN CN1CCC[C@@H](CNc2nc3c(cc2C#N)COCC3)[C@H]1c1cccs1 ZINC000556200423 504818180 /nfs/dbraw/zinc/81/81/80/504818180.db2.gz IKWUIFAXMBRTEU-LIRRHRJNSA-N 0 3 368.506 3.004 20 30 FGEDHN C=CCOCCN[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000549710778 504878240 /nfs/dbraw/zinc/87/82/40/504878240.db2.gz DXUNTCLTKMKSEJ-MRXNPFEDSA-N 0 3 356.260 3.020 20 30 FGEDHN C[C@@H](NC1(CNC(=O)c2cscc2C#N)CCOCC1)c1ccccc1 ZINC000559823236 504932531 /nfs/dbraw/zinc/93/25/31/504932531.db2.gz SGXOHXITUSUUPI-OAHLLOKOSA-N 0 3 369.490 3.250 20 30 FGEDHN C=CCOCCN1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000549929890 504937296 /nfs/dbraw/zinc/93/72/96/504937296.db2.gz XUGGNBHBIHCCRK-UHFFFAOYSA-N 0 3 359.388 3.157 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000565674246 504955484 /nfs/dbraw/zinc/95/54/84/504955484.db2.gz JDMQKBCKQAGORD-GMLUQMLDSA-N 0 3 369.509 3.150 20 30 FGEDHN CC(C)(C#N)CCS(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000562902576 504981560 /nfs/dbraw/zinc/98/15/60/504981560.db2.gz KKAFFFKCKFPYHY-UHFFFAOYSA-N 0 3 363.527 3.032 20 30 FGEDHN CCNC(=O)[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)C(C)C ZINC000550239946 505000407 /nfs/dbraw/zinc/00/04/07/505000407.db2.gz MEMPGNSQNTUZMV-NRFANRHFSA-N 0 3 365.477 3.388 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000550275117 505010191 /nfs/dbraw/zinc/01/01/91/505010191.db2.gz RZMMHHWMBWLVIG-KRWDZBQOSA-N 0 3 362.489 3.320 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000553815599 505017679 /nfs/dbraw/zinc/01/76/79/505017679.db2.gz YDMUNHXZMXVGJF-WTTBNOFXSA-N 0 3 350.528 3.300 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2CC(c3ccccc3)C2)c1 ZINC000563011426 505019036 /nfs/dbraw/zinc/01/90/36/505019036.db2.gz NEAQGQNSZGBXDU-UHFFFAOYSA-N 0 3 354.475 3.115 20 30 FGEDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000560256926 505030936 /nfs/dbraw/zinc/03/09/36/505030936.db2.gz KBGKPGCESMNYOK-VLIAUNLRSA-N 0 3 350.422 3.080 20 30 FGEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000566070292 505071556 /nfs/dbraw/zinc/07/15/56/505071556.db2.gz LMQJKZFHBTXYFA-LBPRGKRZSA-N 0 3 370.375 3.219 20 30 FGEDHN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1nccc2ccccc21 ZINC000560595496 505137881 /nfs/dbraw/zinc/13/78/81/505137881.db2.gz PQTGPORYYUVSJF-KRWDZBQOSA-N 0 3 356.385 3.468 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC3CCC2CC3)cc1 ZINC000554321707 505144526 /nfs/dbraw/zinc/14/45/26/505144526.db2.gz ZCYXNMFPIPXDMF-VWLISTAJSA-N 0 3 361.467 3.073 20 30 FGEDHN C=CC1CCN([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000554364825 505155425 /nfs/dbraw/zinc/15/54/25/505155425.db2.gz OTHMNRRBVYGNHJ-RWLLOJOVSA-N 0 3 359.514 3.068 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(F)c(C#N)c1 ZINC000551207891 505177403 /nfs/dbraw/zinc/17/74/03/505177403.db2.gz NEFVINROVABCOW-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN C[C@@H](N[C@@H](C)Cn1cc(Br)ccc1=O)c1ccc(C#N)cc1 ZINC000551267607 505189726 /nfs/dbraw/zinc/18/97/26/505189726.db2.gz FVUPSJYSCOKUPZ-QWHCGFSZSA-N 0 3 360.255 3.222 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000560972360 505219835 /nfs/dbraw/zinc/21/98/35/505219835.db2.gz ITWUZCXNIXUEGK-KDOFPFPSSA-N 0 3 358.438 3.264 20 30 FGEDHN CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000566661262 505235634 /nfs/dbraw/zinc/23/56/34/505235634.db2.gz QVUZOLAETFGTOE-UHFFFAOYSA-N 0 3 364.497 3.462 20 30 FGEDHN COc1cccc(C(F)(F)CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000561336700 505318701 /nfs/dbraw/zinc/31/87/01/505318701.db2.gz NFPNXWAJDDYWGO-OAHLLOKOSA-N 0 3 359.376 3.071 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1ccccc1N(C)C ZINC000564152030 505339089 /nfs/dbraw/zinc/33/90/89/505339089.db2.gz KLHRBWYALYYANL-HXUWFJFHSA-N 0 3 354.494 3.353 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)NCC#Cc1cccc(F)c1 ZINC000555212465 505381458 /nfs/dbraw/zinc/38/14/58/505381458.db2.gz WRKFUOXMSMSNSK-UHFFFAOYSA-N 0 3 359.470 3.012 20 30 FGEDHN N#Cc1ccc(CCC(=O)N2CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000552149484 505415469 /nfs/dbraw/zinc/41/54/69/505415469.db2.gz QRDHDXYLMDFSNW-UHFFFAOYSA-N 0 3 370.456 3.388 20 30 FGEDHN CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000561797231 505439373 /nfs/dbraw/zinc/43/93/73/505439373.db2.gz OBFFOCQXJJELLD-IYBDPMFKSA-N 0 3 353.388 3.227 20 30 FGEDHN N#Cc1ccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000555644014 505484109 /nfs/dbraw/zinc/48/41/09/505484109.db2.gz SJHHFGLPZAGVIT-UHFFFAOYSA-N 0 3 354.884 3.227 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](F)(c3ccccc3F)C2)CC1 ZINC000558788412 505492680 /nfs/dbraw/zinc/49/26/80/505492680.db2.gz KENDQWFJQSEVAW-FQEVSTJZSA-N 0 3 363.452 3.446 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)N(CCN2CCCCCC2)C2CCC2)c1 ZINC000552441783 505492961 /nfs/dbraw/zinc/49/29/61/505492961.db2.gz YBZJNSJKETXMEZ-UHFFFAOYSA-N 0 3 368.525 3.495 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000562153529 505529171 /nfs/dbraw/zinc/52/91/71/505529171.db2.gz KWPWXRGFSONAEX-WBVHZDCISA-N 0 3 356.470 3.436 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000555891446 505534569 /nfs/dbraw/zinc/53/45/69/505534569.db2.gz COZGCYCMHAUEJE-ZDFLXESQSA-N 0 3 367.474 3.268 20 30 FGEDHN C[C@@H]1CCc2ccccc2[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000564851292 505539972 /nfs/dbraw/zinc/53/99/72/505539972.db2.gz JITSCPLHZCIHKN-QRWLVFNGSA-N 0 3 354.475 3.245 20 30 FGEDHN CN(Cc1ccccc1OC(F)(F)F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599260356 506387744 /nfs/dbraw/zinc/38/77/44/506387744.db2.gz ZIHJBPSRVRMZOI-HNNXBMFYSA-N 0 3 372.387 3.088 20 30 FGEDHN COc1cc(CN(C)C[C@@H](O)COc2ccccc2C#N)ccc1SC ZINC000599274970 506393806 /nfs/dbraw/zinc/39/38/06/506393806.db2.gz IRDPUZRYJDDMFK-QGZVFWFLSA-N 0 3 372.490 3.160 20 30 FGEDHN CC(C)(C)c1ccc(C#N)c(NCc2ccc(CN3CC[C@H](O)C3)cc2)n1 ZINC000596423571 506398915 /nfs/dbraw/zinc/39/89/15/506398915.db2.gz LNTWBTGSERZSSG-IBGZPJMESA-N 0 3 364.493 3.429 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](CSc2ccccc2)C1 ZINC000599303198 506404505 /nfs/dbraw/zinc/40/45/05/506404505.db2.gz LXZAJRNZWRAFGX-PKOBYXMFSA-N 0 3 368.502 3.412 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000608071538 506408096 /nfs/dbraw/zinc/40/80/96/506408096.db2.gz PBFHUMOXPMYBLC-BAGYTPMASA-N 0 3 362.473 3.498 20 30 FGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000599351093 506423048 /nfs/dbraw/zinc/42/30/48/506423048.db2.gz XCNPKTFEQHANMZ-VQIMIIECSA-N 0 3 351.450 3.366 20 30 FGEDHN COc1ccc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1Br ZINC000599351503 506423873 /nfs/dbraw/zinc/42/38/73/506423873.db2.gz ZAHWPVSRIRLBJH-AAEUAGOBSA-N 0 3 353.260 3.163 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1cccc(N2CCCC2)c1 ZINC000599352666 506424437 /nfs/dbraw/zinc/42/44/37/506424437.db2.gz FFBDLZAXVGXMCL-UWJYYQICSA-N 0 3 365.477 3.249 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@@H](O)COc1ccccc1C#N ZINC000599366374 506429530 /nfs/dbraw/zinc/42/95/30/506429530.db2.gz OLBUKIXAWJJEAH-NBQZKYEYSA-N 0 3 374.868 3.317 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2ccnc(C#N)c2)[C@H]1c1cccs1 ZINC000603129819 506432110 /nfs/dbraw/zinc/43/21/10/506432110.db2.gz PEEZNPCZGWXDJU-GUYCJALGSA-N 0 3 355.467 3.219 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612134943 506454687 /nfs/dbraw/zinc/45/46/87/506454687.db2.gz KTLMUGLCBNXAEF-LMNJBCLMSA-N 0 3 354.498 3.232 20 30 FGEDHN COc1ccc(OC)c(CN(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000589194608 506477006 /nfs/dbraw/zinc/47/70/06/506477006.db2.gz VKPQVXFKKBYQPW-UHFFFAOYSA-N 0 3 353.466 3.139 20 30 FGEDHN COc1cc(C)c([C@H](C)NCc2cnc3ccc(C#N)cn23)cc1OC ZINC000582895966 506477300 /nfs/dbraw/zinc/47/73/00/506477300.db2.gz LSCIRZIBHAFBGM-AWEZNQCLSA-N 0 3 350.422 3.382 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCc1ccc(C#N)cc1)N(C)C ZINC000596599762 506482231 /nfs/dbraw/zinc/48/22/31/506482231.db2.gz YMZKHXJCLWUVMB-UWJYYQICSA-N 0 3 364.493 3.400 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000596608836 506487350 /nfs/dbraw/zinc/48/73/50/506487350.db2.gz KJGKKOVJUOGDDJ-YJBOKZPZSA-N 0 3 360.527 3.346 20 30 FGEDHN C=CCn1c(C(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000589245884 506496109 /nfs/dbraw/zinc/49/61/09/506496109.db2.gz DAPUHJMCCGOQBZ-UHFFFAOYSA-N 0 3 364.497 3.171 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@]1(CO)CCCN(Cc3ccccc3)C1)CC2 ZINC000589342752 506522765 /nfs/dbraw/zinc/52/27/65/506522765.db2.gz JEKFXIGMJBOHNK-XZOQPEGZSA-N 0 3 361.489 3.162 20 30 FGEDHN N#CC1(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCCC1 ZINC000593331795 506547583 /nfs/dbraw/zinc/54/75/83/506547583.db2.gz BWUBZAWBQHTVJV-INIZCTEOSA-N 0 3 360.527 3.343 20 30 FGEDHN CSC1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CCN(C)CC1 ZINC000589613435 506604002 /nfs/dbraw/zinc/60/40/02/506604002.db2.gz VTFPJULIMHADLE-QGZVFWFLSA-N 0 3 360.527 3.158 20 30 FGEDHN N#CC1(CNC(=O)N2CCCN(CCCc3ccccc3)CC2)CCCC1 ZINC000593427212 506614931 /nfs/dbraw/zinc/61/49/31/506614931.db2.gz IUGSOCXMGVYQSF-UHFFFAOYSA-N 0 3 368.525 3.420 20 30 FGEDHN CO[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000596827298 506622049 /nfs/dbraw/zinc/62/20/49/506622049.db2.gz COBBRBKMEBBNEX-HXUWFJFHSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ncccc1OCCCC#N ZINC000596846039 506634624 /nfs/dbraw/zinc/63/46/24/506634624.db2.gz LLHAELXARFHTMV-MRXNPFEDSA-N 0 3 359.474 3.006 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596863568 506643397 /nfs/dbraw/zinc/64/33/97/506643397.db2.gz JGEBWTHQXNHIAM-UHFFFAOYSA-N 0 3 358.486 3.359 20 30 FGEDHN N#C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1cccc(Br)c1 ZINC000612652810 506673087 /nfs/dbraw/zinc/67/30/87/506673087.db2.gz RUKUNZNJLNZKQW-CVEARBPZSA-N 0 3 362.271 3.004 20 30 FGEDHN CSc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)o1 ZINC000596973495 506705768 /nfs/dbraw/zinc/70/57/68/506705768.db2.gz KEDBRLROPUHPLV-UHFFFAOYSA-N 0 3 357.479 3.386 20 30 FGEDHN N#CCCn1cc(CN2CCC(C3(O)CC3)CC2)c(-c2ccccc2)n1 ZINC000593647586 506712856 /nfs/dbraw/zinc/71/28/56/506712856.db2.gz CICCPSVGXDWMTN-UHFFFAOYSA-N 0 3 350.466 3.201 20 30 FGEDHN N#CCCn1cc(CN2CCC3(CC3(F)F)CC2)c(-c2ccncc2)n1 ZINC000593671251 506722820 /nfs/dbraw/zinc/72/28/20/506722820.db2.gz HFEZWYIQJFAOMB-UHFFFAOYSA-N 0 3 357.408 3.480 20 30 FGEDHN Cc1cccc(C(=O)NCCNCc2cccc(OCCCC#N)c2)c1 ZINC000608860991 506728375 /nfs/dbraw/zinc/72/83/75/506728375.db2.gz GDYKTXOOCOGZGZ-UHFFFAOYSA-N 0 3 351.450 3.197 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000590303390 506788352 /nfs/dbraw/zinc/78/83/52/506788352.db2.gz YOEGPSBDTPPBEX-MRXNPFEDSA-N 0 3 369.490 3.065 20 30 FGEDHN CN(C)CCN(Cc1c(C2CCC2)cnn1C)Cc1ccc(C#N)cc1 ZINC000597127241 506789236 /nfs/dbraw/zinc/78/92/36/506789236.db2.gz OCXQXUJYIVLVBI-UHFFFAOYSA-N 0 3 351.498 3.123 20 30 FGEDHN N#CCn1c(C(=O)NCCCN2CCc3ccccc3C2)cc2ccccc21 ZINC000609163181 506799067 /nfs/dbraw/zinc/79/90/67/506799067.db2.gz VUAOSTAXCRKOLM-UHFFFAOYSA-N 0 3 372.472 3.343 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)nc2)N(CC)CC)cc1 ZINC000590470910 506833335 /nfs/dbraw/zinc/83/33/35/506833335.db2.gz RNMCDJQCPYDAIC-HXUWFJFHSA-N 0 3 350.466 3.329 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000609359092 506864780 /nfs/dbraw/zinc/86/47/80/506864780.db2.gz NMNYROFSAVYEQJ-IBGZPJMESA-N 0 3 372.538 3.061 20 30 FGEDHN CCC(C)(C)N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000594021657 506888908 /nfs/dbraw/zinc/88/89/08/506888908.db2.gz YGAFPRHDINAMLP-UHFFFAOYSA-N 0 3 360.527 3.047 20 30 FGEDHN C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000609516470 506906796 /nfs/dbraw/zinc/90/67/96/506906796.db2.gz WWIVRISPKNAJAH-SFHVURJKSA-N 0 3 357.498 3.344 20 30 FGEDHN C[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CCN(C2CC2)C1 ZINC000590772315 506945953 /nfs/dbraw/zinc/94/59/53/506945953.db2.gz JVIHSRQCIDULPM-LLVKDONJSA-N 0 3 352.265 3.421 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000590778718 506949626 /nfs/dbraw/zinc/94/96/26/506949626.db2.gz VEGLJGDSJHSLNW-VQIMIIECSA-N 0 3 352.459 3.096 20 30 FGEDHN C=C[C@](C)(O)C(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 ZINC000613248320 506994261 /nfs/dbraw/zinc/99/42/61/506994261.db2.gz GAPKWDUBVQNMRC-CTNGQTDRSA-N 0 3 360.498 3.342 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594199430 507003216 /nfs/dbraw/zinc/00/32/16/507003216.db2.gz YZXJAORMKROBSR-HOTGVXAUSA-N 0 3 362.271 3.067 20 30 FGEDHN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C(C)C#N)CC2 ZINC000609919717 507050810 /nfs/dbraw/zinc/05/08/10/507050810.db2.gz FPPKHEFLDJXSBF-SGTLLEGYSA-N 0 3 356.447 3.399 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000590947194 507053406 /nfs/dbraw/zinc/05/34/06/507053406.db2.gz GOAAQCAYVZHPCV-LJQANCHMSA-N 0 3 366.440 3.113 20 30 FGEDHN Cc1nsc(NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000590965643 507064140 /nfs/dbraw/zinc/06/41/40/507064140.db2.gz XYDBYZNOZSFGHI-MRXNPFEDSA-N 0 3 369.494 3.357 20 30 FGEDHN C[C@H]1Oc2c(cccc2C(=O)C(C#N)c2ccc3ccccc3n2)NC1=O ZINC000591020089 507080929 /nfs/dbraw/zinc/08/09/29/507080929.db2.gz QCHSJZZLMTWPHO-DOMZBBRYSA-N 0 3 357.369 3.444 20 30 FGEDHN C[C@@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1ccccc1Cl ZINC000600722564 507081383 /nfs/dbraw/zinc/08/13/83/507081383.db2.gz HNZDOQBBUFZHMN-GOEBONIOSA-N 0 3 360.841 3.008 20 30 FGEDHN CC(C)N1CCN(C2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)CC1 ZINC000613431425 507083050 /nfs/dbraw/zinc/08/30/50/507083050.db2.gz ZORUZLWXNAMPNW-UHFFFAOYSA-N 0 3 369.557 3.246 20 30 FGEDHN CC[C@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1cccc(C)c1 ZINC000600725458 507085331 /nfs/dbraw/zinc/08/53/31/507085331.db2.gz CAFLMZLIYNAWKQ-RTBURBONSA-N 0 3 354.450 3.054 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCCOc3cc(Cl)ccc32)CCOCC1 ZINC000600733261 507090298 /nfs/dbraw/zinc/09/02/98/507090298.db2.gz XYNBHIPJPGYYRV-WBVHZDCISA-N 0 3 364.873 3.215 20 30 FGEDHN CC(C)Cc1ccccc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000600742531 507095418 /nfs/dbraw/zinc/09/54/18/507095418.db2.gz DKDPNCGHXJYSFZ-NRFANRHFSA-N 0 3 352.478 3.481 20 30 FGEDHN CC(C)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C(=O)OC(C)(C)C ZINC000594392239 507109568 /nfs/dbraw/zinc/10/95/68/507109568.db2.gz GPZMBMGAYSQINR-QZTJIDSGSA-N 0 3 358.482 3.489 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(F)c1 ZINC000591093671 507112500 /nfs/dbraw/zinc/11/25/00/507112500.db2.gz IDSKDHFIFKSXQU-FQEVSTJZSA-N 0 3 366.440 3.366 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000594430698 507129000 /nfs/dbraw/zinc/12/90/00/507129000.db2.gz BAGDBSBWDSACNW-LJQANCHMSA-N 0 3 351.450 3.260 20 30 FGEDHN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@@H](N)CCCCC#N ZINC000594430666 507129677 /nfs/dbraw/zinc/12/96/77/507129677.db2.gz AMEZSEVPMFLEII-SFHVURJKSA-N 0 3 354.454 3.144 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000594435022 507130999 /nfs/dbraw/zinc/13/09/99/507130999.db2.gz YWQMOYREBNVLNZ-PMACEKPBSA-N 0 3 351.450 3.334 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000594438386 507132422 /nfs/dbraw/zinc/13/24/22/507132422.db2.gz NDPQDTRLGYPMTH-DLBZAZTESA-N 0 3 367.453 3.201 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000594441222 507134610 /nfs/dbraw/zinc/13/46/10/507134610.db2.gz OYXMBOOJLGRSTI-XLIONFOSSA-N 0 3 361.449 3.180 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000594441222 507134615 /nfs/dbraw/zinc/13/46/15/507134615.db2.gz OYXMBOOJLGRSTI-XLIONFOSSA-N 0 3 361.449 3.180 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000594446057 507136862 /nfs/dbraw/zinc/13/68/62/507136862.db2.gz PBOSEWSYZHHEDX-HNNXBMFYSA-N 0 3 356.495 3.414 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1C ZINC000610209047 507138952 /nfs/dbraw/zinc/13/89/52/507138952.db2.gz QDIVSNTWGMBUMV-OXJNMPFZSA-N 0 3 363.461 3.350 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccccc2Br)CCC1 ZINC000594451735 507141063 /nfs/dbraw/zinc/14/10/63/507141063.db2.gz CMQBCLMGMFUEOU-HNNXBMFYSA-N 0 3 364.287 3.356 20 30 FGEDHN CCc1c(NC(=O)[C@@H](N)CCCCC#N)cnn1-c1cccc(Cl)c1 ZINC000594456080 507141217 /nfs/dbraw/zinc/14/12/17/507141217.db2.gz HOPLPKKYWXTBLV-HNNXBMFYSA-N 0 3 359.861 3.438 20 30 FGEDHN CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CCN(C)C1 ZINC000597945571 507192336 /nfs/dbraw/zinc/19/23/36/507192336.db2.gz IMNMNTWETLEPHB-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(C)c1cccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000610390153 507224419 /nfs/dbraw/zinc/22/44/19/507224419.db2.gz BMFSFWRVOIWGKK-UHFFFAOYSA-N 0 3 362.477 3.475 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3c[nH]c(C#N)c3)sc2c1)C1CC1 ZINC000598027020 507224918 /nfs/dbraw/zinc/22/49/18/507224918.db2.gz FJPOPASUTZXAJU-UHFFFAOYSA-N 0 3 351.435 3.343 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3ccc(C#N)[nH]3)sc2c1)C1CC1 ZINC000598028634 507226193 /nfs/dbraw/zinc/22/61/93/507226193.db2.gz OFRLRJOVWMOBSO-UHFFFAOYSA-N 0 3 351.435 3.343 20 30 FGEDHN N#CCc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000601023157 507232314 /nfs/dbraw/zinc/23/23/14/507232314.db2.gz YGKPKQGGYHANLL-UHFFFAOYSA-N 0 3 353.491 3.456 20 30 FGEDHN COC[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc(OC)c1 ZINC000598063630 507239163 /nfs/dbraw/zinc/23/91/63/507239163.db2.gz CUZUWEVPAJTDET-UYAOXDASSA-N 0 3 352.434 3.271 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)COc1ccccc1C#N ZINC000610445934 507242947 /nfs/dbraw/zinc/24/29/47/507242947.db2.gz KRNIEYZRCGRNRC-GOSISDBHSA-N 0 3 363.461 3.060 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NC1CCN(CCOC(C)C)CC1 ZINC000610479310 507254317 /nfs/dbraw/zinc/25/43/17/507254317.db2.gz PEPYOEUSJULAQD-UHFFFAOYSA-N 0 3 352.482 3.138 20 30 FGEDHN C[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000601099812 507261514 /nfs/dbraw/zinc/26/15/14/507261514.db2.gz ADVCODGQAHAUQC-GOSISDBHSA-N 0 3 365.477 3.120 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000591598219 507307113 /nfs/dbraw/zinc/30/71/13/507307113.db2.gz PKZNKTMMMMETTA-VPOLOUISSA-N 0 3 359.314 3.033 20 30 FGEDHN N#CC1(c2ccc(CNC[C@@H](O)COc3ccc(F)c(F)c3)cc2)CC1 ZINC000594918989 507313202 /nfs/dbraw/zinc/31/32/02/507313202.db2.gz FDAUXRXHDJQIQN-MRXNPFEDSA-N 0 3 358.388 3.049 20 30 FGEDHN N#CC1(c2ccc(CN[C@@H](CN3CCOCC3)c3ccccc3)cc2)CC1 ZINC000594919146 507313677 /nfs/dbraw/zinc/31/36/77/507313677.db2.gz OSJSISVYSMBANQ-QFIPXVFZSA-N 0 3 361.489 3.405 20 30 FGEDHN N#CC1(c2ccc(CN[C@@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1 ZINC000594941523 507322069 /nfs/dbraw/zinc/32/20/69/507322069.db2.gz UVDLXSLYPRVZMX-LJQANCHMSA-N 0 3 352.482 3.012 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000584406162 507329140 /nfs/dbraw/zinc/32/91/40/507329140.db2.gz SSYCTLXBHCEYCK-IEBWSBKVSA-N 0 3 372.465 3.397 20 30 FGEDHN CC[C@@H]1CN(C)c2ccccc2CN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000610676668 507343222 /nfs/dbraw/zinc/34/32/22/507343222.db2.gz URBINYPFAQPOAU-UXHICEINSA-N 0 3 365.477 3.029 20 30 FGEDHN CO[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)C1CCCC1 ZINC000594994015 507345098 /nfs/dbraw/zinc/34/50/98/507345098.db2.gz JHXJSYVNFNWXIA-LJQANCHMSA-N 0 3 353.470 3.154 20 30 FGEDHN CCOc1ccc(OC[C@@H](O)CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000591765941 507351858 /nfs/dbraw/zinc/35/18/58/507351858.db2.gz UJGBRVGPCHMAGU-INIZCTEOSA-N 0 3 360.841 3.140 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000591763911 507352655 /nfs/dbraw/zinc/35/26/55/507352655.db2.gz QMRAXEFQXOSTPI-QUCCMNQESA-N 0 3 356.853 3.366 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCC2(C#N)CCCCC2)[C@H](C(F)(F)F)C1 ZINC000598315554 507375035 /nfs/dbraw/zinc/37/50/35/507375035.db2.gz QILKCYXIGISSFA-ZIAGYGMSSA-N 0 3 359.436 3.485 20 30 FGEDHN C[C@@H](NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073193 507379068 /nfs/dbraw/zinc/37/90/68/507379068.db2.gz SYGVWVVBMGFWIZ-DNVCBOLYSA-N 0 3 353.441 3.115 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCN1C[C@@H]2CCCCN2C1=O ZINC000595102144 507394001 /nfs/dbraw/zinc/39/40/01/507394001.db2.gz KLKSJIJXIKGCQB-AZUAARDMSA-N 0 3 352.482 3.205 20 30 FGEDHN CC(C)(C)OC(=O)C1(CNC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000598497880 507456518 /nfs/dbraw/zinc/45/65/18/507456518.db2.gz ZNHOVWZNHSLSGB-KRWDZBQOSA-N 0 3 356.466 3.387 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000610967417 507457928 /nfs/dbraw/zinc/45/79/28/507457928.db2.gz QMTWDVYOVALCCD-CTNGQTDRSA-N 0 3 352.434 3.035 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)cc1 ZINC000598573658 507495832 /nfs/dbraw/zinc/49/58/32/507495832.db2.gz OKHVQSFSEOAHAQ-VQTJNVASSA-N 0 3 356.429 3.389 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000598575244 507497211 /nfs/dbraw/zinc/49/72/11/507497211.db2.gz IBCPDQGXTLKHGN-FOIQADDNSA-N 0 3 359.429 3.443 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNC2(c3ccccc3F)CCC2)cc1 ZINC000592145351 507507946 /nfs/dbraw/zinc/50/79/46/507507946.db2.gz VLFMSGICHCGNDX-KRWDZBQOSA-N 0 3 354.425 3.300 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592181920 507525336 /nfs/dbraw/zinc/52/53/36/507525336.db2.gz JJELCKLRQKQOHO-DLBZAZTESA-N 0 3 373.472 3.352 20 30 FGEDHN CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCc2ncsc2C1 ZINC000592189424 507531418 /nfs/dbraw/zinc/53/14/18/507531418.db2.gz UMEFXDZHPIVXGT-HNAYVOBHSA-N 0 3 362.543 3.157 20 30 FGEDHN CSc1nnc(CCCNCc2cccc(F)c2C#N)n1CC(C)C ZINC000602007395 507551958 /nfs/dbraw/zinc/55/19/58/507551958.db2.gz OQBUBILKBXUDKS-UHFFFAOYSA-N 0 3 361.490 3.389 20 30 FGEDHN CC(C)(C)c1nn(Cc2ccccc2)cc1CNC1CCN(CC#N)CC1 ZINC000611198721 507557927 /nfs/dbraw/zinc/55/79/27/507557927.db2.gz WBKSAUFMXUIZCR-UHFFFAOYSA-N 0 3 365.525 3.306 20 30 FGEDHN COc1ccc(Oc2cc(CNC[C@@H](O)CC(C)(C)C#N)ccn2)cc1 ZINC000598715985 507566349 /nfs/dbraw/zinc/56/63/49/507566349.db2.gz XBUDPRPSPJFNIZ-INIZCTEOSA-N 0 3 355.438 3.273 20 30 FGEDHN COc1cc(NC(=O)CCN2CCC[C@H](CC#N)C2)c(OC)cc1Cl ZINC000595619936 507595692 /nfs/dbraw/zinc/59/56/92/507595692.db2.gz HIISSUHZEKIHLL-CYBMUJFWSA-N 0 3 365.861 3.311 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccccc2N2CCCC2)CC1 ZINC000592301867 507602174 /nfs/dbraw/zinc/60/21/74/507602174.db2.gz BUMRVNZHMSONKB-UHFFFAOYSA-N 0 3 370.541 3.469 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCCC[C@@H]2CCO)c1 ZINC000585754365 507617881 /nfs/dbraw/zinc/61/78/81/507617881.db2.gz KCSYGWLTTGDCFW-LJQANCHMSA-N 0 3 357.498 3.177 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000595692276 507630783 /nfs/dbraw/zinc/63/07/83/507630783.db2.gz MZDPMRVQDDJRDX-FHWLQOOXSA-N 0 3 354.498 3.341 20 30 FGEDHN C[C@@H](NCC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc(C#N)c(F)c1 ZINC000592393086 507634746 /nfs/dbraw/zinc/63/47/46/507634746.db2.gz DEHWILQVSSQESG-CQSZACIVSA-N 0 3 362.445 3.486 20 30 FGEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399065 507640564 /nfs/dbraw/zinc/64/05/64/507640564.db2.gz KUPXSNHPVFXQTC-AWEZNQCLSA-N 0 3 356.403 3.062 20 30 FGEDHN N#Cc1ccc(-c2cc(N3CCN(CC[C@@H]4CCCCO4)CC3)n[nH]2)cc1 ZINC000595732814 507653558 /nfs/dbraw/zinc/65/35/58/507653558.db2.gz KIOVFPWSZOUPJY-IBGZPJMESA-N 0 3 365.481 3.030 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000611386641 507655012 /nfs/dbraw/zinc/65/50/12/507655012.db2.gz QDTBTJXQVGIDMZ-OXJNMPFZSA-N 0 3 366.461 3.386 20 30 FGEDHN Cc1c(NC(=O)CCN[C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000611389550 507657923 /nfs/dbraw/zinc/65/79/23/507657923.db2.gz ZFRTXZUZARCLPQ-CQSZACIVSA-N 0 3 352.394 3.454 20 30 FGEDHN CS(=O)(=O)Nc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390623 507659301 /nfs/dbraw/zinc/65/93/01/507659301.db2.gz LPOHFDTTWKBAGN-LJQANCHMSA-N 0 3 355.463 3.097 20 30 FGEDHN CC(C)(NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000611402032 507663593 /nfs/dbraw/zinc/66/35/93/507663593.db2.gz KTAWXOOKDURLKA-MRXNPFEDSA-N 0 3 360.404 3.295 20 30 FGEDHN COc1nc(C)cc(C)c1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000586789993 507672897 /nfs/dbraw/zinc/67/28/97/507672897.db2.gz XAVBLMLMQNPAPJ-UHFFFAOYSA-N 0 3 350.466 3.337 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3ccc(F)cc3)CCOCC2)c1 ZINC000595764156 507675025 /nfs/dbraw/zinc/67/50/25/507675025.db2.gz FITBIEGPALUQRN-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000602376106 507686283 /nfs/dbraw/zinc/68/62/83/507686283.db2.gz YUQVWFBLLHLESM-RBUKOAKNSA-N 0 3 368.506 3.249 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000592510796 507687564 /nfs/dbraw/zinc/68/75/64/507687564.db2.gz UJBDRBAACRJIFA-UHFFFAOYSA-N 0 3 360.889 3.313 20 30 FGEDHN Cn1cc(CN2CCc3ccc(O)cc3CC2)c(-c2ccc(C#N)cc2)n1 ZINC000611518249 507717623 /nfs/dbraw/zinc/71/76/23/507717623.db2.gz ZBJGULVGYHHMDU-UHFFFAOYSA-N 0 3 358.445 3.265 20 30 FGEDHN N#Cc1cccc(CNC2CCN(Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000602527075 507738445 /nfs/dbraw/zinc/73/84/45/507738445.db2.gz JQPCZGYOHFDBQP-UHFFFAOYSA-N 0 3 373.460 3.362 20 30 FGEDHN CC1(C)C[C@]1(NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000595911826 507739458 /nfs/dbraw/zinc/73/94/58/507739458.db2.gz ZEJGJHSNOQFYQJ-KNQAVFIVSA-N 0 3 350.462 3.407 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000602535398 507740302 /nfs/dbraw/zinc/74/03/02/507740302.db2.gz ZZGKYWTZANQUHZ-UYZDIKGJSA-N 0 3 364.287 3.380 20 30 FGEDHN CC(C)N(C(=O)c1ccc(C#N)n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592694556 507766647 /nfs/dbraw/zinc/76/66/47/507766647.db2.gz HKGAFXBIUTZPAX-LJQANCHMSA-N 0 3 350.466 3.022 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)N[C@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000328635417 521614466 /nfs/dbraw/zinc/61/44/66/521614466.db2.gz URTTXIVQPJWTFI-YTQUADARSA-N 0 3 359.518 3.148 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000636743259 568001317 /nfs/dbraw/zinc/00/13/17/568001317.db2.gz ZROCAHWLMWWWLS-VAMGGRTRSA-N 0 3 363.546 3.142 20 30 FGEDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196557 599309436 /nfs/dbraw/zinc/30/94/36/599309436.db2.gz JPMXAZKGIYEZFP-INIZCTEOSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196557 599309439 /nfs/dbraw/zinc/30/94/39/599309439.db2.gz JPMXAZKGIYEZFP-INIZCTEOSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196557 599309440 /nfs/dbraw/zinc/30/94/40/599309440.db2.gz JPMXAZKGIYEZFP-INIZCTEOSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196557 599309443 /nfs/dbraw/zinc/30/94/43/599309443.db2.gz JPMXAZKGIYEZFP-INIZCTEOSA-N 0 3 373.464 3.012 20 30 FGEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735413413 599476148 /nfs/dbraw/zinc/47/61/48/599476148.db2.gz UNRVBOPGVGDSBO-UHFFFAOYSA-N 0 3 374.514 3.034 20 30 FGEDHN C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735413413 599476150 /nfs/dbraw/zinc/47/61/50/599476150.db2.gz UNRVBOPGVGDSBO-UHFFFAOYSA-N 0 3 374.514 3.034 20 30 FGEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735413413 599476152 /nfs/dbraw/zinc/47/61/52/599476152.db2.gz UNRVBOPGVGDSBO-UHFFFAOYSA-N 0 3 374.514 3.034 20 30 FGEDHN C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735413413 599476156 /nfs/dbraw/zinc/47/61/56/599476156.db2.gz UNRVBOPGVGDSBO-UHFFFAOYSA-N 0 3 374.514 3.034 20 30 FGEDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722681 601321949 /nfs/dbraw/zinc/32/19/49/601321949.db2.gz HOGUENOZTQDXRD-CTNGQTDRSA-N 0 3 363.461 3.138 20 30 FGEDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722681 601321950 /nfs/dbraw/zinc/32/19/50/601321950.db2.gz HOGUENOZTQDXRD-CTNGQTDRSA-N 0 3 363.461 3.138 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)C(C)C ZINC000041855925 695769137 /nfs/dbraw/zinc/76/91/37/695769137.db2.gz WQDACEXLQRVTEC-KRWDZBQOSA-N 0 3 363.889 3.093 20 30 FGEDHN N#CC(C(=O)CCc1cccc(Br)c1)C(=O)NC1CCCC1 ZINC000076603908 700236676 /nfs/dbraw/zinc/23/66/76/700236676.db2.gz SYNXXMWHOORTTC-OAHLLOKOSA-N 0 3 363.255 3.149 20 30 FGEDHN CCCC(=O)NCC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000105764308 700504569 /nfs/dbraw/zinc/50/45/69/700504569.db2.gz ZMCDQFFFPLURJE-JTQLQIEISA-N 0 3 363.389 3.181 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCCCO1 ZINC000121947469 700683062 /nfs/dbraw/zinc/68/30/62/700683062.db2.gz FBXLQCLQLWWMLF-OLZOCXBDSA-N 0 3 354.378 3.218 20 30 FGEDHN Cc1cc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)ccc1Cl ZINC000125229380 700732634 /nfs/dbraw/zinc/73/26/34/700732634.db2.gz NCMZVQZTYJJVFX-TZMCWYRMSA-N 0 3 357.797 3.158 20 30 FGEDHN N#CC(C(=O)CCCn1ccc2cc(Cl)ccc21)C(=O)N1CCCC1 ZINC000127658517 700764593 /nfs/dbraw/zinc/76/45/93/700764593.db2.gz DCWAFMLEJFQZKY-MRXNPFEDSA-N 0 3 357.841 3.406 20 30 FGEDHN N#CC(C(=O)CCOCC(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130249215 700798344 /nfs/dbraw/zinc/79/83/44/700798344.db2.gz RFGDJGPYSBNEFI-VIFPVBQESA-N 0 3 366.698 3.095 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCSC ZINC000131006969 700809032 /nfs/dbraw/zinc/80/90/32/700809032.db2.gz DBPIGDZOGJGXAK-NSHDSACASA-N 0 3 354.859 3.448 20 30 FGEDHN C#CCCCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000156628808 705125614 /nfs/dbraw/zinc/12/56/14/705125614.db2.gz ATXFZMJIBLGXQT-SFHVURJKSA-N 0 3 352.400 3.361 20 30 FGEDHN COc1ccc(CNCc2ccc(N3CCSCC3)cc2)cc1C#N ZINC000174278782 705496089 /nfs/dbraw/zinc/49/60/89/705496089.db2.gz JHAHKKQPTUSKFE-UHFFFAOYSA-N 0 3 353.491 3.410 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175095375 705532611 /nfs/dbraw/zinc/53/26/11/705532611.db2.gz YROVIFKQRKMQQZ-VXGBXAGGSA-N 0 3 356.875 3.145 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175095339 705532723 /nfs/dbraw/zinc/53/27/23/705532723.db2.gz YROVIFKQRKMQQZ-NWDGAFQWSA-N 0 3 356.875 3.145 20 30 FGEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000179456677 705702063 /nfs/dbraw/zinc/70/20/63/705702063.db2.gz GNKPEJJWPIVKCF-SNVBAGLBSA-N 0 3 350.749 3.283 20 30 FGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)CC1 ZINC000630943888 716535014 /nfs/dbraw/zinc/53/50/14/716535014.db2.gz RNUQQPOJIPZCEH-UHFFFAOYSA-N 0 3 355.404 3.145 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CC(C)(C)CO1 ZINC000631013470 716546522 /nfs/dbraw/zinc/54/65/22/716546522.db2.gz WOYKKJQZSPADCC-INIZCTEOSA-N 0 3 364.559 3.400 20 30 FGEDHN OC[C@H](NCCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000639917224 717628047 /nfs/dbraw/zinc/62/80/47/717628047.db2.gz BYFVQKISEAGQOO-NSHDSACASA-N 0 3 363.273 3.245 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000640930981 717834191 /nfs/dbraw/zinc/83/41/91/717834191.db2.gz XCNZDDJFZAFSCN-CJNGLKHVSA-N 0 3 361.515 3.161 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@H](C)C(C)=O ZINC000657238292 719603421 /nfs/dbraw/zinc/60/34/21/719603421.db2.gz QQJIHSGUSBJBKP-HNNXBMFYSA-N 0 3 350.532 3.200 20 30 FGEDHN N#Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc2ccccc12 ZINC001164732500 720435475 /nfs/dbraw/zinc/43/54/75/720435475.db2.gz NUSHVOYBCVYNNK-SFTDATJTSA-N 0 3 355.445 3.355 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC[C@@H](C)OC ZINC000782581790 724684085 /nfs/dbraw/zinc/68/40/85/724684085.db2.gz QPVALMYTECAOEG-NEPJUHHUSA-N 0 3 352.818 3.120 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000668054285 721229286 /nfs/dbraw/zinc/22/92/86/721229286.db2.gz RDJQPGCYPSZPFI-UHFFFAOYSA-N 0 3 355.385 3.069 20 30 FGEDHN C=C(Br)CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000726239282 722432214 /nfs/dbraw/zinc/43/22/14/722432214.db2.gz YRPYSNQRDUTECJ-HIFRSBDPSA-N 0 3 352.276 3.030 20 30 FGEDHN CC(C)OC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000730571623 722469303 /nfs/dbraw/zinc/46/93/03/722469303.db2.gz XPAFRQYOXUQGAZ-OAHLLOKOSA-N 0 3 357.479 3.362 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1csc(C)n1 ZINC000733679232 722500073 /nfs/dbraw/zinc/50/00/73/722500073.db2.gz WYLKETQGJGOFNB-CQSZACIVSA-N 0 3 357.435 3.130 20 30 FGEDHN C[C@@H](Cc1ccccc1Cl)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000748450149 722691549 /nfs/dbraw/zinc/69/15/49/722691549.db2.gz QLZNMQNCYLMOMW-AWEZNQCLSA-N 0 3 362.882 3.206 20 30 FGEDHN CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)CCN1CCOC ZINC000766971843 723601897 /nfs/dbraw/zinc/60/18/97/723601897.db2.gz DYXODLHPXWZKBO-SFHVURJKSA-N 0 3 365.905 3.175 20 30 FGEDHN C=C(Br)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000795625654 723602968 /nfs/dbraw/zinc/60/29/68/723602968.db2.gz NHIZAOXNWDICJG-CQSZACIVSA-N 0 3 373.241 3.169 20 30 FGEDHN CC(C)C[C@](C)(NCC(=O)NCCC#N)c1cccc(Br)c1 ZINC000796513922 723641167 /nfs/dbraw/zinc/64/11/67/723641167.db2.gz WXXJTJYXYAGDLA-KRWDZBQOSA-N 0 3 366.303 3.330 20 30 FGEDHN C#CCOc1ccc(CN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000769398718 723684427 /nfs/dbraw/zinc/68/44/27/723684427.db2.gz BIFVTJKVNFCSMR-UHFFFAOYSA-N 0 3 374.282 3.495 20 30 FGEDHN CC[C@H](CSC)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773704513 723815307 /nfs/dbraw/zinc/81/53/07/723815307.db2.gz XJSYOYBGZPTJLW-CABCVRRESA-N 0 3 354.479 3.297 20 30 FGEDHN COC(=O)N[C@@H](CC(C)C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797568483 723835973 /nfs/dbraw/zinc/83/59/73/723835973.db2.gz IXLDHZCLIXARBH-NEPJUHHUSA-N 0 3 351.472 3.388 20 30 FGEDHN COc1cc(CNCc2ccc(N3CCSCC3)cc2)ccc1C#N ZINC000799334077 724013249 /nfs/dbraw/zinc/01/32/49/724013249.db2.gz OQHSDLLEOHAAIO-UHFFFAOYSA-N 0 3 353.491 3.410 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC[C@H](OCCOC)C1 ZINC000800850143 724237476 /nfs/dbraw/zinc/23/74/76/724237476.db2.gz LVFXKZUHDFAVCM-INIZCTEOSA-N 0 3 361.511 3.399 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c3cccnc23)CC1 ZINC000801054691 724265427 /nfs/dbraw/zinc/26/54/27/724265427.db2.gz DDEPTYFDHCWLLJ-UHFFFAOYSA-N 0 3 372.266 3.281 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCCCNC(=O)c1cccs1 ZINC000778170409 724306317 /nfs/dbraw/zinc/30/63/17/724306317.db2.gz PRXWNKOFOUHIBU-UHFFFAOYSA-N 0 3 362.882 3.323 20 30 FGEDHN C[C@H](C#N)OCCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000801931614 724347219 /nfs/dbraw/zinc/34/72/19/724347219.db2.gz JRACQBCCQZJCLQ-UKRRQHHQSA-N 0 3 360.845 3.498 20 30 FGEDHN CN(C)C[C@H](NC(=O)COc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000802377000 724379718 /nfs/dbraw/zinc/37/97/18/724379718.db2.gz BCWLJJYTDGYFDX-SFHVURJKSA-N 0 3 357.841 3.010 20 30 FGEDHN CN(C)C[C@@H](NC(=O)COc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000802376999 724379764 /nfs/dbraw/zinc/37/97/64/724379764.db2.gz BCWLJJYTDGYFDX-GOSISDBHSA-N 0 3 357.841 3.010 20 30 FGEDHN CCO[C@H](CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)C(C)C ZINC000786525907 724986403 /nfs/dbraw/zinc/98/64/03/724986403.db2.gz CIFBPKYIPMBTHQ-DOTOQJQBSA-N 0 3 350.846 3.116 20 30 FGEDHN N#CC(C(=O)CCCc1ccsc1)C(=O)NCc1ccc(F)cc1F ZINC000786556077 724988781 /nfs/dbraw/zinc/98/87/81/724988781.db2.gz CVUMZIIPRKNTJI-HNNXBMFYSA-N 0 3 362.401 3.374 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cscc1Br ZINC000815905433 727106300 /nfs/dbraw/zinc/10/63/00/727106300.db2.gz NDRIIDSAJOSUIV-LLVKDONJSA-N 0 3 357.273 3.068 20 30 FGEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000815909279 727106660 /nfs/dbraw/zinc/10/66/60/727106660.db2.gz WIGMMMYOYSILCV-CYZMBNFOSA-N 0 3 352.793 3.332 20 30 FGEDHN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000818159212 727297921 /nfs/dbraw/zinc/29/79/21/727297921.db2.gz FHLXYQMHGWSBPG-HUUCEWRRSA-N 0 3 365.909 3.186 20 30 FGEDHN C#CCN(C)CCCNC(=O)CCc1cc(Cl)ccc1Br ZINC000818612242 727316809 /nfs/dbraw/zinc/31/68/09/727316809.db2.gz PMXGYPIWGPDNMB-UHFFFAOYSA-N 0 3 371.706 3.106 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Nc1cc(CC#N)ccn1)c1ccsc1 ZINC000871719212 735538316 /nfs/dbraw/zinc/53/83/16/735538316.db2.gz CVUHTRYZUPRSOP-INIZCTEOSA-N 0 3 357.483 3.414 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC[C@@H](n2ccnn2)C1 ZINC000819897524 728950813 /nfs/dbraw/zinc/95/08/13/728950813.db2.gz QTHJXKRJQLYHHP-OAHLLOKOSA-N 0 3 354.483 3.201 20 30 FGEDHN C#C[C@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000820750170 729025482 /nfs/dbraw/zinc/02/54/82/729025482.db2.gz LMDBFECGCJMYGL-ACJLOTCBSA-N 0 3 363.864 3.279 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000825325526 729378801 /nfs/dbraw/zinc/37/88/01/729378801.db2.gz DRAYEEMAZUCMBO-KBXCAEBGSA-N 0 3 359.857 3.095 20 30 FGEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC2(CCC2)O1 ZINC000830734246 729589915 /nfs/dbraw/zinc/58/99/15/729589915.db2.gz JMLPLJFJYAFJJP-KBPBESRZSA-N 0 3 355.463 3.116 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2n(n1)CCC2 ZINC000835064105 729854732 /nfs/dbraw/zinc/85/47/32/729854732.db2.gz BICBJBKWFZOQCE-LLVKDONJSA-N 0 3 363.204 3.097 20 30 FGEDHN CC(C)(C)C(=O)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835341677 729880232 /nfs/dbraw/zinc/88/02/32/729880232.db2.gz VXDDLIZLHHMJAY-OAHLLOKOSA-N 0 3 362.857 3.451 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000836425104 729955120 /nfs/dbraw/zinc/95/51/20/729955120.db2.gz SRFGWLNSWDAUIG-AWEZNQCLSA-N 0 3 370.280 3.071 20 30 FGEDHN CC[C@@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC(C)C ZINC000842287849 730480775 /nfs/dbraw/zinc/48/07/75/730480775.db2.gz CMQKKNVDSANZKW-ZFWWWQNUSA-N 0 3 365.271 3.251 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1ccnc1 ZINC000845442322 730850616 /nfs/dbraw/zinc/85/06/16/730850616.db2.gz DXOHCCSPMBJTES-HZMBPMFUSA-N 0 3 365.220 3.489 20 30 FGEDHN C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010998 730918242 /nfs/dbraw/zinc/91/82/42/730918242.db2.gz PWKWKDWEXKESOJ-HZPDHXFCSA-N 0 3 351.491 3.074 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000848427564 731164056 /nfs/dbraw/zinc/16/40/56/731164056.db2.gz SCEXEYFLIVVAKM-HOCLYGCPSA-N 0 3 353.388 3.433 20 30 FGEDHN C#CC[C@@H](CCOC)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000858333623 732204462 /nfs/dbraw/zinc/20/44/62/732204462.db2.gz LQZJNPULOQGWGB-HNNXBMFYSA-N 0 3 362.271 3.357 20 30 FGEDHN CC(C)[C@H](NC=O)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000860478674 732520202 /nfs/dbraw/zinc/52/02/02/732520202.db2.gz ZIOGFTWMYRITIP-GWCFXTLKSA-N 0 3 369.368 3.262 20 30 FGEDHN CC(C)OCCN1CCC(Nc2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865578986 733230869 /nfs/dbraw/zinc/23/08/69/733230869.db2.gz KELAOLFEYCZJLK-UHFFFAOYSA-N 0 3 356.392 3.273 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2cc(Cl)cc(Cl)c2F)CCOCC1 ZINC000872234863 735606840 /nfs/dbraw/zinc/60/68/40/735606840.db2.gz IMJABAGCUOHKBV-ZDUSSCGKSA-N 0 3 361.244 3.293 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000876581868 736116503 /nfs/dbraw/zinc/11/65/03/736116503.db2.gz GCQMPXYSMOCHNV-AWEZNQCLSA-N 0 3 370.280 3.375 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000876590504 736117802 /nfs/dbraw/zinc/11/78/02/736117802.db2.gz WDZWVEIOHHNXMX-XEZPLFJOSA-N 0 3 363.889 3.213 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000876590678 736117947 /nfs/dbraw/zinc/11/79/47/736117947.db2.gz YZPZNTRHXCXTNX-JTQLQIEISA-N 0 3 352.740 3.045 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000876595496 736118312 /nfs/dbraw/zinc/11/83/12/736118312.db2.gz BTCIAVBUKIGCSA-NRPADANISA-N 0 3 366.733 3.482 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000876609689 736120654 /nfs/dbraw/zinc/12/06/54/736120654.db2.gz REDONLZDROCANQ-MRXNPFEDSA-N 0 3 363.889 3.500 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnn(-c2ccccc2Cl)c1CC ZINC000876909740 736161374 /nfs/dbraw/zinc/16/13/74/736161374.db2.gz GSUPDUQVLAKKQY-LBPRGKRZSA-N 0 3 353.253 3.497 20 30 FGEDHN N#Cc1cnc(Cl)c(CNCCC2CCN(CC(F)(F)F)CC2)c1 ZINC000877081657 736185696 /nfs/dbraw/zinc/18/56/96/736185696.db2.gz FMHXBIGWESLZBV-UHFFFAOYSA-N 0 3 360.811 3.361 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCSC[C@H]1c1ccccc1OC ZINC000877454071 736221172 /nfs/dbraw/zinc/22/11/72/736221172.db2.gz PSHSEMIFBHVEGY-GJZGRUSLSA-N 0 3 354.903 3.172 20 30 FGEDHN N#Cc1ccc(CN(CC2CC2)[C@@H](C(N)=O)C2CC2)c(C(F)(F)F)c1 ZINC000879489439 736996181 /nfs/dbraw/zinc/99/61/81/736996181.db2.gz YPXOZXGAVDGFLA-MRXNPFEDSA-N 0 3 351.372 3.053 20 30 FGEDHN Cc1nc(-c2ccc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)cc2)cs1 ZINC000884060561 737629808 /nfs/dbraw/zinc/62/98/08/737629808.db2.gz DDBDMJXDTLVYGY-HVEKOLDVSA-N 0 3 352.463 3.196 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1CCSc3ccc(Cl)cc31)C2 ZINC000884062706 737629814 /nfs/dbraw/zinc/62/98/14/737629814.db2.gz ZCWOFPXEXGPGMZ-BIXVJRBASA-N 0 3 361.898 3.132 20 30 FGEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884158105 737639052 /nfs/dbraw/zinc/63/90/52/737639052.db2.gz RMRGNDJFRIONNG-SZMNJRKPSA-N 0 3 359.901 3.430 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NC1(c3cccc(Cl)c3)CCCC1)C2 ZINC000884166935 737639806 /nfs/dbraw/zinc/63/98/06/737639806.db2.gz PYAJAHMBOIIPQQ-RCDNUKIMSA-N 0 3 357.885 3.365 20 30 FGEDHN CSc1ccc(CNCc2ccc3c(c2)CCC(=O)N3C)cc1C#N ZINC000886277568 739238109 /nfs/dbraw/zinc/23/81/09/739238109.db2.gz VNGYMYSRSWUSID-UHFFFAOYSA-N 0 3 351.475 3.479 20 30 FGEDHN COC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(Br)c1 ZINC000886310544 739243591 /nfs/dbraw/zinc/24/35/91/739243591.db2.gz NWPJSOMRZZSFFX-HZPDHXFCSA-N 0 3 367.287 3.171 20 30 FGEDHN C#CCN(C(=O)c1cc2c(cccc2N(C)C)s1)C1CCN(C)CC1 ZINC000886571388 739271185 /nfs/dbraw/zinc/27/11/85/739271185.db2.gz TYFFCYALHMIDBA-UHFFFAOYSA-N 0 3 355.507 3.137 20 30 FGEDHN C#CCN(C(=O)c1cc(C)cc(Br)c1F)C1CCN(C)CC1 ZINC000886573811 739271203 /nfs/dbraw/zinc/27/12/03/739271203.db2.gz XLQLSEAVYSPCMA-UHFFFAOYSA-N 0 3 367.262 3.066 20 30 FGEDHN N#Cc1sc(NC(=O)N2CCN(C3CCCCC3)CC2)nc1Cl ZINC000888415589 739519454 /nfs/dbraw/zinc/51/94/54/739519454.db2.gz LUYMRLDHAMPFIB-UHFFFAOYSA-N 0 3 353.879 3.150 20 30 FGEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000892484810 740005357 /nfs/dbraw/zinc/00/53/57/740005357.db2.gz QLPBAURGIKBJEJ-XDTLVQLUSA-N 0 3 354.378 3.074 20 30 FGEDHN CC[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1 ZINC000902760064 743773631 /nfs/dbraw/zinc/77/36/31/743773631.db2.gz FZANBCCZYPNYAO-IBGZPJMESA-N 0 3 357.479 3.049 20 30 FGEDHN C[C@@H](NCCc1ccc(OCC(F)(F)F)nc1)c1cc(C#N)ccn1 ZINC000902959004 743792841 /nfs/dbraw/zinc/79/28/41/743792841.db2.gz AJUIHNMWBFFOOP-GFCCVEGCSA-N 0 3 350.344 3.183 20 30 FGEDHN O=C(CC(F)(F)C(F)F)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000907873095 744243642 /nfs/dbraw/zinc/24/36/42/744243642.db2.gz OAJSSDBUMXYKQZ-UHFFFAOYSA-N 0 3 364.305 3.198 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2csc(C)c2)CC1(C)C ZINC000941046849 762172465 /nfs/dbraw/zinc/17/24/65/762172465.db2.gz NIWKNQDWTFOPBZ-FGTMMUONSA-N 0 3 362.539 3.364 20 30 FGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC[C@@H]2C1 ZINC000946598142 762258116 /nfs/dbraw/zinc/25/81/16/762258116.db2.gz YWFCICGDFNMZNB-ZSYWTGECSA-N 0 3 359.901 3.108 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=S)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000916015731 758023044 /nfs/dbraw/zinc/02/30/44/758023044.db2.gz HUHNAZXNHCBPML-APWZRJJASA-N 0 3 358.555 3.375 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000916878496 758149479 /nfs/dbraw/zinc/14/94/79/758149479.db2.gz YWQVPRLQACPHRI-DZGCQCFKSA-N 0 3 350.846 3.431 20 30 FGEDHN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNCc1csc(C#N)c1)O2 ZINC000922794576 759005716 /nfs/dbraw/zinc/00/57/16/759005716.db2.gz NXNBDHFVCFYZGY-XAUUPUKJSA-N 0 3 362.495 3.379 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCSc3ccncc3)CC2)cc1 ZINC000929110399 760318516 /nfs/dbraw/zinc/31/85/16/760318516.db2.gz HIEVPHBXAFVNHE-UHFFFAOYSA-N 0 3 352.507 3.253 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCOc3ccc(Br)cc32)CCC1 ZINC000932204388 761086577 /nfs/dbraw/zinc/08/65/77/761086577.db2.gz ADWBCXGWBWMNGO-ZFWWWQNUSA-N 0 3 365.271 3.307 20 30 FGEDHN O=C1C=COC2(CCN(CCc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000933649735 761445896 /nfs/dbraw/zinc/44/58/96/761445896.db2.gz SSZGLMYHUINHJD-UHFFFAOYSA-N 0 3 355.356 3.465 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)Cc1csc(C)c1 ZINC000960640210 762736412 /nfs/dbraw/zinc/73/64/12/762736412.db2.gz AZYKQHFPLFKSGX-QRVBRYPASA-N 0 3 362.539 3.461 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000971557150 762912626 /nfs/dbraw/zinc/91/26/26/762912626.db2.gz ZKERWNGRPWJFKJ-OTWHNJEPSA-N 0 3 362.901 3.354 20 30 FGEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C(C)(C)C1 ZINC000974970741 763072965 /nfs/dbraw/zinc/07/29/65/763072965.db2.gz LIWFNVRSIKPPMI-UMVBOHGHSA-N 0 3 350.915 3.355 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000982134643 763567886 /nfs/dbraw/zinc/56/78/86/763567886.db2.gz BYRVBWAATDAVCL-OALUTQOASA-N 0 3 362.539 3.196 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001007361374 765588167 /nfs/dbraw/zinc/58/81/67/765588167.db2.gz XJELXNPTAKSLMH-OTWHNJEPSA-N 0 3 362.539 3.243 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001021115288 765915222 /nfs/dbraw/zinc/91/52/22/765915222.db2.gz JTCWAHBDQFAQLD-YHUYYLMFSA-N 0 3 367.262 3.075 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001022099717 765973385 /nfs/dbraw/zinc/97/33/85/765973385.db2.gz OXBAXQADVJDXMW-HPFXQQBRSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001028860838 766139586 /nfs/dbraw/zinc/13/95/86/766139586.db2.gz FYCPVZYCEWXCCG-NEWSRXKRSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001035237154 766258718 /nfs/dbraw/zinc/25/87/18/766258718.db2.gz SKOORWYRJHJTAX-IDUOFMCJSA-N 0 3 366.933 3.425 20 30 FGEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)C2 ZINC001054131836 766997779 /nfs/dbraw/zinc/99/77/79/766997779.db2.gz UQYMIFHFPFLSEY-OPYAIIAOSA-N 0 3 356.535 3.498 20 30 FGEDHN C=CCC[C@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000568061210 505606251 /nfs/dbraw/zinc/60/62/51/505606251.db2.gz OBIPZHKJYBYFAB-ZZJWQFMZSA-N 0 3 353.466 3.069 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1cccs1 ZINC000573899562 505646958 /nfs/dbraw/zinc/64/69/58/505646958.db2.gz SZPVHTTTZIKWRD-GUYCJALGSA-N 0 3 374.897 3.481 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCO2 ZINC000580030793 505665563 /nfs/dbraw/zinc/66/55/63/505665563.db2.gz LNOUPWUDQWDEJG-UHFFFAOYSA-N 0 3 364.449 3.089 20 30 FGEDHN CN(CCCN(C)C(=O)c1ccc(C#N)c(Cl)c1)Cc1ccncc1 ZINC000580083821 505674789 /nfs/dbraw/zinc/67/47/89/505674789.db2.gz HEUDSVSQEUGXNY-UHFFFAOYSA-N 0 3 356.857 3.201 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000047951131 493766295 /nfs/dbraw/zinc/76/62/95/493766295.db2.gz QDKKETMDZFATDC-SFHVURJKSA-N 0 3 353.491 3.236 20 30 FGEDHN Cc1ccccc1CN1CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000030153674 493878362 /nfs/dbraw/zinc/87/83/62/493878362.db2.gz DVCCUWULKXSWLF-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN CC(C)(C)n1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000068991552 493903316 /nfs/dbraw/zinc/90/33/16/493903316.db2.gz MLAVOEUROFYFOU-QGZVFWFLSA-N 0 3 355.461 3.407 20 30 FGEDHN C[C@H]1CCCCN1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000076545299 493918962 /nfs/dbraw/zinc/91/89/62/493918962.db2.gz DHGKKTJKHYPBCM-LBPRGKRZSA-N 0 3 352.385 3.156 20 30 FGEDHN C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000031123560 493926452 /nfs/dbraw/zinc/92/64/52/493926452.db2.gz ZIRQJUQQAYNHPM-QGZVFWFLSA-N 0 3 362.477 3.367 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000076686731 493950191 /nfs/dbraw/zinc/95/01/91/493950191.db2.gz OMMTWHCADUBOLM-UHFFFAOYSA-N 0 3 372.472 3.191 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000069606825 493985928 /nfs/dbraw/zinc/98/59/28/493985928.db2.gz PHFHIVHEKYMXIW-UHFFFAOYSA-N 0 3 361.449 3.334 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)cc1C)C(C)C ZINC000062205166 494005204 /nfs/dbraw/zinc/00/52/04/494005204.db2.gz PRRDDQAVGIVIIS-LJQANCHMSA-N 0 3 357.498 3.057 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(C#N)cc1 ZINC000062485250 494013750 /nfs/dbraw/zinc/01/37/50/494013750.db2.gz UBHPIXSQNIEYEG-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC#Cc1ccccc1 ZINC000062477387 494014019 /nfs/dbraw/zinc/01/40/19/494014019.db2.gz YIKCMKLSRMATFI-UHFFFAOYSA-N 0 3 369.896 3.465 20 30 FGEDHN COc1cc(C#N)ccc1OCCNC1(c2ccc(F)cc2)CCOCC1 ZINC000077283933 494047884 /nfs/dbraw/zinc/04/78/84/494047884.db2.gz QYVOYMLJULHHNB-UHFFFAOYSA-N 0 3 370.424 3.380 20 30 FGEDHN Cc1ccccc1C(=O)NC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000052746294 494058916 /nfs/dbraw/zinc/05/89/16/494058916.db2.gz UAGDLCOIFMTMFP-UHFFFAOYSA-N 0 3 363.461 3.140 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000063522040 494062564 /nfs/dbraw/zinc/06/25/64/494062564.db2.gz MJYAADPHYAIDBP-KRWDZBQOSA-N 0 3 366.303 3.328 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(N(C)C(C)=O)c1)C(C)C ZINC000072590812 494211532 /nfs/dbraw/zinc/21/15/32/494211532.db2.gz FXALINXKZJQBSD-FQEVSTJZSA-N 0 3 372.513 3.489 20 30 FGEDHN Cc1cccc2c(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000078085289 494227445 /nfs/dbraw/zinc/22/74/45/494227445.db2.gz QSPWDLRRFZOUPK-UHFFFAOYSA-N 0 3 374.488 3.481 20 30 FGEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000577327880 505706066 /nfs/dbraw/zinc/70/60/66/505706066.db2.gz KRCZKAAZTVNTQE-SFHVURJKSA-N 0 3 352.413 3.483 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1Cl ZINC000042931319 494253366 /nfs/dbraw/zinc/25/33/66/494253366.db2.gz SQFCRYJKXSGLBJ-UHFFFAOYSA-N 0 3 370.884 3.485 20 30 FGEDHN CCOc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930306 494257469 /nfs/dbraw/zinc/25/74/69/494257469.db2.gz HIJZFLKLUDJWDS-UHFFFAOYSA-N 0 3 351.450 3.161 20 30 FGEDHN COc1ccc(C2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000072914656 494283213 /nfs/dbraw/zinc/28/32/13/494283213.db2.gz VKHIKRZMQZBKTJ-HXUWFJFHSA-N 0 3 366.461 3.186 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(NC(C)=O)c1)C(C)C ZINC000043655103 494310778 /nfs/dbraw/zinc/31/07/78/494310778.db2.gz YRBUFAMHKLZJKK-IBGZPJMESA-N 0 3 358.486 3.465 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000577369407 505714611 /nfs/dbraw/zinc/71/46/11/505714611.db2.gz CAFGFPYSEYRAJF-PZJWPPBQSA-N 0 3 369.509 3.441 20 30 FGEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCC(CO)CC1 ZINC000089924281 494403481 /nfs/dbraw/zinc/40/34/81/494403481.db2.gz JEKUDUJJGGNHLO-UHFFFAOYSA-N 0 3 363.889 3.070 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(CC(C)C)CC2)c1 ZINC000073644808 494406383 /nfs/dbraw/zinc/40/63/83/494406383.db2.gz KUYQHDRSPQTSAK-FQEVSTJZSA-N 0 3 370.541 3.212 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000056016038 494443141 /nfs/dbraw/zinc/44/31/41/494443141.db2.gz HNRBVVUQRFMKGT-UHFFFAOYSA-N 0 3 364.424 3.383 20 30 FGEDHN COc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)cc1NC(C)=O ZINC000090107249 494443425 /nfs/dbraw/zinc/44/34/25/494443425.db2.gz NSDNWCMYRDHPEZ-AWEZNQCLSA-N 0 3 353.422 3.255 20 30 FGEDHN C=CCc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc(OC)c1OC ZINC000066945525 494443576 /nfs/dbraw/zinc/44/35/76/494443576.db2.gz HJOHUIYQWXKMCL-SFHVURJKSA-N 0 3 358.482 3.133 20 30 FGEDHN COc1cc(Cl)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000067053472 494463967 /nfs/dbraw/zinc/46/39/67/494463967.db2.gz CHLQJZKJLFBURS-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC000090561687 494482102 /nfs/dbraw/zinc/48/21/02/494482102.db2.gz HQCVWHAYSZGTRH-QGZVFWFLSA-N 0 3 359.514 3.166 20 30 FGEDHN CCN(Cc1ccccc1)C(=O)CNCc1ccc(N(C)CCC#N)cc1 ZINC000067450520 494543697 /nfs/dbraw/zinc/54/36/97/494543697.db2.gz BRHLKILIMAMNCU-UHFFFAOYSA-N 0 3 364.493 3.175 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000080063932 494581755 /nfs/dbraw/zinc/58/17/55/494581755.db2.gz GYMXVSMZEDWDGP-DENIHFKCSA-N 0 3 361.489 3.390 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000080070214 494585342 /nfs/dbraw/zinc/58/53/42/494585342.db2.gz NGDBIWFRIBFMKX-UWJYYQICSA-N 0 3 362.477 3.411 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000121098452 494595024 /nfs/dbraw/zinc/59/50/24/494595024.db2.gz XHIRUAMOMWKVHQ-AZUAARDMSA-N 0 3 355.482 3.048 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080119903 494604417 /nfs/dbraw/zinc/60/44/17/494604417.db2.gz HEFWCJDBIRJPAT-UHFFFAOYSA-N 0 3 360.458 3.170 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000080121173 494604589 /nfs/dbraw/zinc/60/45/89/494604589.db2.gz GKNGQPZAXSZNQQ-OAQYLSRUSA-N 0 3 371.525 3.070 20 30 FGEDHN C[C@@H]1CN(CC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)C[C@H](C)O1 ZINC000091478467 494606754 /nfs/dbraw/zinc/60/67/54/494606754.db2.gz DBHYGOYBUWTXGT-CALCHBBNSA-N 0 3 368.525 3.158 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(F)cc1 ZINC000047011056 494615950 /nfs/dbraw/zinc/61/59/50/494615950.db2.gz MPSUKZWWZFPNCG-UHFFFAOYSA-N 0 3 353.441 3.220 20 30 FGEDHN CN1CCN(Cc2ccc(CNc3snc(Cl)c3C#N)cc2)CC1 ZINC000092609180 494685891 /nfs/dbraw/zinc/68/58/91/494685891.db2.gz CPKDIDUUTOWMDP-UHFFFAOYSA-N 0 3 361.902 3.028 20 30 FGEDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000092706413 494719214 /nfs/dbraw/zinc/71/92/14/494719214.db2.gz OMVLCTMXOGCPKP-IBGZPJMESA-N 0 3 356.514 3.021 20 30 FGEDHN CC[C@@H](CNC[C@H](O)COc1ccc(C#N)cc1)Oc1cccc(C)c1 ZINC000577484955 505737837 /nfs/dbraw/zinc/73/78/37/505737837.db2.gz OCOLPKLHAAWFKS-OALUTQOASA-N 0 3 354.450 3.054 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1F ZINC000108963742 494811965 /nfs/dbraw/zinc/81/19/65/494811965.db2.gz DEMCTGMJDBSBJA-INIZCTEOSA-N 0 3 353.441 3.391 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc[nH]c1C1CCC1 ZINC000568679145 505750282 /nfs/dbraw/zinc/75/02/82/505750282.db2.gz VVBZVRNGBLDZRP-UHFFFAOYSA-N 0 3 350.466 3.358 20 30 FGEDHN CC(C)(C)c1n[nH]cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122828361 495037027 /nfs/dbraw/zinc/03/70/27/495037027.db2.gz KLOVHDQLEIQNCK-UHFFFAOYSA-N 0 3 351.498 3.287 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NCC(=O)Nc1sccc1C#N ZINC000119007408 495068996 /nfs/dbraw/zinc/06/89/96/495068996.db2.gz XXNHIMWCYCFKPE-UHFFFAOYSA-N 0 3 356.495 3.058 20 30 FGEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000119441122 495167961 /nfs/dbraw/zinc/16/79/61/495167961.db2.gz AKDCMPIMPYOFTK-HNNXBMFYSA-N 0 3 360.479 3.092 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2cccc(OC)c2)CC1 ZINC000119454281 495170340 /nfs/dbraw/zinc/17/03/40/495170340.db2.gz FVGBZQAKTGWYIW-UHFFFAOYSA-N 0 3 359.514 3.313 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](c3ccncc3)C1)CCC2 ZINC000580462002 505765220 /nfs/dbraw/zinc/76/52/20/505765220.db2.gz NEJJMTFBODAPJK-OAHLLOKOSA-N 0 3 366.490 3.322 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](c3ccncc3)C1)CCC2 ZINC000580462001 505765419 /nfs/dbraw/zinc/76/54/19/505765419.db2.gz NEJJMTFBODAPJK-HNNXBMFYSA-N 0 3 366.490 3.322 20 30 FGEDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000119673635 495215223 /nfs/dbraw/zinc/21/52/23/495215223.db2.gz ZHQNDERIRUYWMI-QAPCUYQASA-N 0 3 370.449 3.056 20 30 FGEDHN Cc1ccc(Oc2ccccc2CNC[C@@H](O)CN(C)CCC#N)cc1 ZINC000568750615 505769695 /nfs/dbraw/zinc/76/96/95/505769695.db2.gz AVYDZMGUKWMFBA-LJQANCHMSA-N 0 3 353.466 3.083 20 30 FGEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H](O)COCc1ccccc1 ZINC000135222730 495264541 /nfs/dbraw/zinc/26/45/41/495264541.db2.gz ZKMGLQQTBRYCQR-FQEVSTJZSA-N 0 3 352.478 3.497 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000129708182 495283411 /nfs/dbraw/zinc/28/34/11/495283411.db2.gz SPHGVGIETVNPRK-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN N#CCCn1cc(CNCc2ccc(NC(N)=O)cc2)c(-c2ccccc2)n1 ZINC000113319479 495296780 /nfs/dbraw/zinc/29/67/80/495296780.db2.gz ZTGNKLWOASMIAO-UHFFFAOYSA-N 0 3 374.448 3.244 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000120142505 495315361 /nfs/dbraw/zinc/31/53/61/495315361.db2.gz YLXLCNDHKHQEOI-PXNSSMCTSA-N 0 3 372.852 3.105 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN(CCc2cccc(F)c2)C2CC2)cc1 ZINC000113940591 495338277 /nfs/dbraw/zinc/33/82/77/495338277.db2.gz YLMATEQYHGVDOP-HXUWFJFHSA-N 0 3 354.425 3.144 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000571636085 505779533 /nfs/dbraw/zinc/77/95/33/505779533.db2.gz BVKIHINTRLEWSR-RIFZZMRRSA-N 0 3 374.843 3.431 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 ZINC000106035647 495405794 /nfs/dbraw/zinc/40/57/94/495405794.db2.gz CACYJXGBRXQYTN-UHFFFAOYSA-N 0 3 366.509 3.319 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2nn(-c3ccccc3)cc2OCC)CC1 ZINC000106034449 495406082 /nfs/dbraw/zinc/40/60/82/495406082.db2.gz GPSZWQZYHILGAD-UHFFFAOYSA-N 0 3 368.481 3.041 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000106036493 495406175 /nfs/dbraw/zinc/40/61/75/495406175.db2.gz SZBBKHUZMCWOCL-UHFFFAOYSA-N 0 3 369.534 3.433 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)cc2F)CC1 ZINC000106038222 495406692 /nfs/dbraw/zinc/40/66/92/495406692.db2.gz UCDNCWXJSJGVPK-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN CN(C)[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114685612 495409524 /nfs/dbraw/zinc/40/95/24/495409524.db2.gz HXQSOZFTWUNRPF-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114689294 495410007 /nfs/dbraw/zinc/41/00/07/495410007.db2.gz HEOALAWHKSRMJK-SFHVURJKSA-N 0 3 363.461 3.209 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000120593736 495412415 /nfs/dbraw/zinc/41/24/15/495412415.db2.gz WNHYSAWNQRTRRT-QGZVFWFLSA-N 0 3 367.497 3.273 20 30 FGEDHN CSC[C@](C)(O)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000120654046 495428042 /nfs/dbraw/zinc/42/80/42/495428042.db2.gz WOMDTKIMFOLTSK-HXUWFJFHSA-N 0 3 356.491 3.341 20 30 FGEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccn1 ZINC000125340209 495428749 /nfs/dbraw/zinc/42/87/49/495428749.db2.gz LCGYNSVXCMGCER-UHFFFAOYSA-N 0 3 354.479 3.354 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CSCc2cn3cc(C)ccc3n2)CC1 ZINC000106295248 495443343 /nfs/dbraw/zinc/44/33/43/495443343.db2.gz ZJLZGGHXUWUPJO-UHFFFAOYSA-N 0 3 372.538 3.033 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000106349251 495447559 /nfs/dbraw/zinc/44/75/59/495447559.db2.gz SJWKFFDKNYDGKL-UHFFFAOYSA-N 0 3 370.280 3.089 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(C2CCCCC2)CC1 ZINC000141672750 495509245 /nfs/dbraw/zinc/50/92/45/495509245.db2.gz ACYWAOUBCMDVGZ-GSVIPDFHSA-N 0 3 374.573 3.256 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000185353473 495543638 /nfs/dbraw/zinc/54/36/38/495543638.db2.gz PVVAOYUQXYILLW-VQTJNVASSA-N 0 3 370.541 3.045 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000148953276 495589141 /nfs/dbraw/zinc/58/91/41/495589141.db2.gz RSCNLCPIGVFFPV-IBGZPJMESA-N 0 3 367.518 3.311 20 30 FGEDHN CN(C)C[C@H](CNC(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000574525062 505792609 /nfs/dbraw/zinc/79/26/09/505792609.db2.gz MRSZHMRONCLUGU-AWEZNQCLSA-N 0 3 359.832 3.426 20 30 FGEDHN COc1ccccc1NC(=O)C[C@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000574526663 505793615 /nfs/dbraw/zinc/79/36/15/505793615.db2.gz ADERNCRLNSJJJR-AWEZNQCLSA-N 0 3 353.422 3.082 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccccc1 ZINC000185577640 495628895 /nfs/dbraw/zinc/62/88/95/495628895.db2.gz VWJJZJIYUXCXOR-HXUWFJFHSA-N 0 3 372.557 3.409 20 30 FGEDHN CCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCCCC1 ZINC000182680410 495662253 /nfs/dbraw/zinc/66/22/53/495662253.db2.gz OGQNKOHNYCNRAT-SFHVURJKSA-N 0 3 374.554 3.112 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000176499540 495674951 /nfs/dbraw/zinc/67/49/51/495674951.db2.gz UBFBQYWMNRJEOQ-HNNXBMFYSA-N 0 3 365.905 3.447 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2OCC2CC2)CC1 ZINC000154691981 495697199 /nfs/dbraw/zinc/69/71/99/495697199.db2.gz SKOYAZLNKGCHDK-UHFFFAOYSA-N 0 3 357.498 3.315 20 30 FGEDHN Cc1ccccc1[C@H](CC(C)C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574550801 505799844 /nfs/dbraw/zinc/79/98/44/505799844.db2.gz CVHMKPYFUQQPBO-IBGZPJMESA-N 0 3 371.506 3.412 20 30 FGEDHN C[C@H](CO[C@H]1CCOC1)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000151184404 495764761 /nfs/dbraw/zinc/76/47/61/495764761.db2.gz WFHYGUTUFSULSQ-VGSWGCGISA-N 0 3 366.461 3.421 20 30 FGEDHN C[C@H]1CCN(CC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000173995047 495780006 /nfs/dbraw/zinc/78/00/06/495780006.db2.gz QBWAYCWSOJKLHF-INIZCTEOSA-N 0 3 368.506 3.155 20 30 FGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171318034 495819628 /nfs/dbraw/zinc/81/96/28/495819628.db2.gz POLUGHICYZCAGN-DLBZAZTESA-N 0 3 354.498 3.353 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000159955504 495848874 /nfs/dbraw/zinc/84/88/74/495848874.db2.gz XZUSVWQYFYTKFT-UTKZUKDTSA-N 0 3 362.477 3.363 20 30 FGEDHN C[C@@H]1Cc2ccccc2N1CCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180145883 495878598 /nfs/dbraw/zinc/87/85/98/495878598.db2.gz BQNPQFDVCMJGTE-QGZVFWFLSA-N 0 3 371.488 3.500 20 30 FGEDHN COc1cc(C#N)ccc1OCCNC(C)(C)C(=O)NCC1CCCCC1 ZINC000155226707 495882019 /nfs/dbraw/zinc/88/20/19/495882019.db2.gz XKJZNAFXNDWMES-UHFFFAOYSA-N 0 3 373.497 3.010 20 30 FGEDHN COc1cccc2c1OC[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000180164623 495888598 /nfs/dbraw/zinc/88/85/98/495888598.db2.gz JKSHDDJETDBLIE-IBGZPJMESA-N 0 3 374.444 3.061 20 30 FGEDHN COc1ccc(CNCc2ccc(-n3ccnc3C)c(F)c2)cc1C#N ZINC000174305028 495901716 /nfs/dbraw/zinc/90/17/16/495901716.db2.gz VRRWNGQESHCJGF-UHFFFAOYSA-N 0 3 350.397 3.490 20 30 FGEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000186247080 495912931 /nfs/dbraw/zinc/91/29/31/495912931.db2.gz HUYZNMKFAJCPHP-JKSUJKDBSA-N 0 3 354.454 3.141 20 30 FGEDHN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(C)(C)CCC#N ZINC000160225304 495913008 /nfs/dbraw/zinc/91/30/08/495913008.db2.gz OAFMIPCMHRWOGJ-UHFFFAOYSA-N 0 3 372.513 3.114 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000186284853 495929107 /nfs/dbraw/zinc/92/91/07/495929107.db2.gz IJNCJJBZHBOTFX-HNNXBMFYSA-N 0 3 355.404 3.206 20 30 FGEDHN Cc1c([C@@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)cnn1C ZINC000183319927 495930420 /nfs/dbraw/zinc/93/04/20/495930420.db2.gz PBEKVNMTIQVGPV-GFCCVEGCSA-N 0 3 371.510 3.220 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Cl)c2OCCOC)CC1 ZINC000171637069 495959841 /nfs/dbraw/zinc/95/98/41/495959841.db2.gz WUHUMJNDBXGAIB-UHFFFAOYSA-N 0 3 367.877 3.137 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000151830957 495961396 /nfs/dbraw/zinc/96/13/96/495961396.db2.gz YEKKXRSDUXAKNR-LSDHHAIUSA-N 0 3 359.451 3.129 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(CCOC)CCCCC2)CC1 ZINC000186354788 495962055 /nfs/dbraw/zinc/96/20/55/495962055.db2.gz ZXTUEESWYQVYAC-UHFFFAOYSA-N 0 3 351.535 3.313 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414675 495986956 /nfs/dbraw/zinc/98/69/56/495986956.db2.gz QBHQDXFTDWCPEY-HNAYVOBHSA-N 0 3 356.422 3.414 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC000171725664 496008831 /nfs/dbraw/zinc/00/88/31/496008831.db2.gz AUVIYLMHIKESCA-UHFFFAOYSA-N 0 3 372.513 3.121 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000171736871 496013365 /nfs/dbraw/zinc/01/33/65/496013365.db2.gz WJXIZHUNPCKLLJ-UHFFFAOYSA-N 0 3 353.850 3.129 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000171737376 496013484 /nfs/dbraw/zinc/01/34/84/496013484.db2.gz ZJKHEQRMXIDJJT-UHFFFAOYSA-N 0 3 366.303 3.241 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)CC1 ZINC000171737579 496014550 /nfs/dbraw/zinc/01/45/50/496014550.db2.gz SXARYZGJGOAFBH-UHFFFAOYSA-N 0 3 358.486 3.361 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171739738 496014780 /nfs/dbraw/zinc/01/47/80/496014780.db2.gz FQJNUACFEONJFS-IAGOWNOFSA-N 0 3 372.513 3.072 20 30 FGEDHN Cc1cc(F)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1F ZINC000177379323 496038695 /nfs/dbraw/zinc/03/86/95/496038695.db2.gz WEHYZYCRXJEYBL-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000171811590 496045759 /nfs/dbraw/zinc/04/57/59/496045759.db2.gz IJNSIBJGWHVXHF-LJQANCHMSA-N 0 3 369.553 3.096 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000171821045 496049801 /nfs/dbraw/zinc/04/98/01/496049801.db2.gz OYUNOZFTNGROEA-UHFFFAOYSA-N 0 3 361.449 3.249 20 30 FGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OC)c(OC)c2C)n1 ZINC000568969416 505820965 /nfs/dbraw/zinc/82/09/65/505820965.db2.gz JUKAGBHFHSROAL-LBPRGKRZSA-N 0 3 374.418 3.136 20 30 FGEDHN N#Cc1ncc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1Cl ZINC000577936507 505822444 /nfs/dbraw/zinc/82/24/44/505822444.db2.gz MYELNRJURRIOJT-INIZCTEOSA-N 0 3 369.856 3.393 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)CC1 ZINC000171907816 496087518 /nfs/dbraw/zinc/08/75/18/496087518.db2.gz UBKZZOCYTYUWTJ-KRWDZBQOSA-N 0 3 374.529 3.345 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000180700232 496109865 /nfs/dbraw/zinc/10/98/65/496109865.db2.gz RRSDAQXHBHFPIQ-KRWDZBQOSA-N 0 3 359.514 3.187 20 30 FGEDHN CCN(CCCC(C)(C)C#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000174808444 496115312 /nfs/dbraw/zinc/11/53/12/496115312.db2.gz SQBFBVKRDMKQQP-UHFFFAOYSA-N 0 3 372.513 3.114 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000152377337 496132870 /nfs/dbraw/zinc/13/28/70/496132870.db2.gz PPEYOWIERIVORZ-AATRIKPKSA-N 0 3 360.461 3.341 20 30 FGEDHN C=CCN1CCC(NCc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000172119964 496173536 /nfs/dbraw/zinc/17/35/36/496173536.db2.gz JDVSNIYMDGQEJJ-UHFFFAOYSA-N 0 3 373.522 3.471 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)CC1 ZINC000174940586 496173997 /nfs/dbraw/zinc/17/39/97/496173997.db2.gz PUGYJHQYAOXCRS-UHFFFAOYSA-N 0 3 372.469 3.114 20 30 FGEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)N(CCC#N)CCC#N ZINC000177741461 496179805 /nfs/dbraw/zinc/17/98/05/496179805.db2.gz PRDBPYIYFFPRLA-JKSUJKDBSA-N 0 3 360.889 3.420 20 30 FGEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000156226958 496192960 /nfs/dbraw/zinc/19/29/60/496192960.db2.gz HKINENFRGBKWPO-OAHLLOKOSA-N 0 3 373.334 3.483 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000184010158 496199932 /nfs/dbraw/zinc/19/99/32/496199932.db2.gz AHZMFMJPBTXBSE-IAGOWNOFSA-N 0 3 365.477 3.197 20 30 FGEDHN CC(C)[C@@H](CCO)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000161742338 496230999 /nfs/dbraw/zinc/23/09/99/496230999.db2.gz QEXCTVAAYWUNRW-CZUORRHYSA-N 0 3 363.527 3.212 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CCCn2ccnc2)c1 ZINC000181101201 496270615 /nfs/dbraw/zinc/27/06/15/496270615.db2.gz BYKRMQZTZYBJNF-IBGZPJMESA-N 0 3 367.497 3.157 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000580780619 505836847 /nfs/dbraw/zinc/83/68/47/505836847.db2.gz FOPJFMAUWJETNT-HTAPYJJXSA-N 0 3 363.461 3.106 20 30 FGEDHN C[C@H](NCCOc1ccccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000181333985 496357271 /nfs/dbraw/zinc/35/72/71/496357271.db2.gz JSROCTQAJCLOOA-HNNXBMFYSA-N 0 3 351.406 3.244 20 30 FGEDHN COCc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000162882864 496428279 /nfs/dbraw/zinc/42/82/79/496428279.db2.gz XXCAUYUVPDMFGZ-UHFFFAOYSA-N 0 3 366.465 3.300 20 30 FGEDHN C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181582935 496456692 /nfs/dbraw/zinc/45/66/92/496456692.db2.gz MAKLHYAEFZTANC-SFHVURJKSA-N 0 3 365.477 3.120 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181593858 496461472 /nfs/dbraw/zinc/46/14/72/496461472.db2.gz LAKRGZHCWXZEOW-INIZCTEOSA-N 0 3 371.506 3.440 20 30 FGEDHN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181602317 496466102 /nfs/dbraw/zinc/46/61/02/496466102.db2.gz NSYRXUZZZJCBED-MRXNPFEDSA-N 0 3 369.490 3.194 20 30 FGEDHN C=CCOc1c(Br)cc(CNC2(CO)CCC2)cc1OC ZINC000178637679 496525799 /nfs/dbraw/zinc/52/57/99/496525799.db2.gz RBOKVLFMQUJYEU-UHFFFAOYSA-N 0 3 356.260 3.027 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(-c3ccccn3)c2)CC1 ZINC000178744813 496557794 /nfs/dbraw/zinc/55/77/94/496557794.db2.gz GOPCJPRQPWIWKC-UHFFFAOYSA-N 0 3 350.466 3.198 20 30 FGEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc(N2CCCC2)c1 ZINC000181888132 496586879 /nfs/dbraw/zinc/58/68/79/496586879.db2.gz FUJZWENCVQJWSZ-QGZVFWFLSA-N 0 3 354.498 3.280 20 30 FGEDHN C[C@@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181916000 496598946 /nfs/dbraw/zinc/59/89/46/496598946.db2.gz HUFKAWMMPNRFSQ-UKRRQHHQSA-N 0 3 371.387 3.323 20 30 FGEDHN CN(C)CCn1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cn1 ZINC000158003954 496606802 /nfs/dbraw/zinc/60/68/02/496606802.db2.gz XLOWQTOYKBMIBO-UHFFFAOYSA-N 0 3 374.448 3.312 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCOc2ccc3c(c2)CCC3)CC1 ZINC000164412566 496610890 /nfs/dbraw/zinc/61/08/90/496610890.db2.gz GITNGNWGKGUQMW-UHFFFAOYSA-N 0 3 356.510 3.491 20 30 FGEDHN Cc1cccc(C)c1NCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000173306542 496635462 /nfs/dbraw/zinc/63/54/62/496635462.db2.gz FJBGKFLNLPMCIJ-UHFFFAOYSA-N 0 3 364.493 3.177 20 30 FGEDHN C=CCCCCN1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000580873974 505857566 /nfs/dbraw/zinc/85/75/66/505857566.db2.gz FMWYADFSWGJHAJ-UHFFFAOYSA-N 0 3 373.522 3.288 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2ccnn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000165296587 496654746 /nfs/dbraw/zinc/65/47/46/496654746.db2.gz GESJKPSWFQEQQE-AWEZNQCLSA-N 0 3 357.295 3.171 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2ccnn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000165296716 496654815 /nfs/dbraw/zinc/65/48/15/496654815.db2.gz GESJKPSWFQEQQE-CQSZACIVSA-N 0 3 357.295 3.171 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccnc(Cl)c1 ZINC000179081966 496669197 /nfs/dbraw/zinc/66/91/97/496669197.db2.gz VODSJAIMMWRXQF-VOTSOKGWSA-N 0 3 368.868 3.210 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000188098064 496682010 /nfs/dbraw/zinc/68/20/10/496682010.db2.gz REZJBAXRKLVJIO-UHFFFAOYSA-N 0 3 357.198 3.011 20 30 FGEDHN Cc1noc(C)c1[C@@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000179184811 496704345 /nfs/dbraw/zinc/70/43/45/496704345.db2.gz COLZOMVDJGXOBX-HNNXBMFYSA-N 0 3 368.481 3.247 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CC)Oc2cccc(C)c2)CC1 ZINC000176154192 496706617 /nfs/dbraw/zinc/70/66/17/496706617.db2.gz LAELWWZOKKYIRL-LJQANCHMSA-N 0 3 359.514 3.492 20 30 FGEDHN N#Cc1cccc(OC2CCN(C[C@H](O)CCc3ccccc3)CC2)c1 ZINC000182334561 496730168 /nfs/dbraw/zinc/73/01/68/496730168.db2.gz MHJMDZZBFPBZOS-HXUWFJFHSA-N 0 3 350.462 3.395 20 30 FGEDHN Cn1cnc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000191476716 496775793 /nfs/dbraw/zinc/77/57/93/496775793.db2.gz ZUZVCDYLSCGBIK-LLVKDONJSA-N 0 3 366.331 3.203 20 30 FGEDHN Cn1cnc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000191476716 496775801 /nfs/dbraw/zinc/77/58/01/496775801.db2.gz ZUZVCDYLSCGBIK-LLVKDONJSA-N 0 3 366.331 3.203 20 30 FGEDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000191476369 496775850 /nfs/dbraw/zinc/77/58/50/496775850.db2.gz XODJTPNCAAHOLV-MRXNPFEDSA-N 0 3 353.470 3.056 20 30 FGEDHN CC(C)N(Cc1ccc(OCC#N)cc1)C[C@@H](O)COc1ccccc1 ZINC000277793675 496890098 /nfs/dbraw/zinc/89/00/98/496890098.db2.gz NLFVQNGMPAUVID-LJQANCHMSA-N 0 3 354.450 3.239 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277874050 496917244 /nfs/dbraw/zinc/91/72/44/496917244.db2.gz CANDXNSRXPDTDS-UHFFFAOYSA-N 0 3 351.834 3.327 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000572032511 505874090 /nfs/dbraw/zinc/87/40/90/505874090.db2.gz ALWOYCUXEIDHOG-BJLQDIEVSA-N 0 3 371.525 3.189 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264562077 496929926 /nfs/dbraw/zinc/92/99/26/496929926.db2.gz FURHOUDOIKDVDA-PXNSSMCTSA-N 0 3 372.488 3.021 20 30 FGEDHN N#CCOc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000264584263 496936301 /nfs/dbraw/zinc/93/63/01/496936301.db2.gz DKMFDCGSLAEMIP-HXUWFJFHSA-N 0 3 352.434 3.476 20 30 FGEDHN N#CCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000264584263 496936305 /nfs/dbraw/zinc/93/63/05/496936305.db2.gz DKMFDCGSLAEMIP-HXUWFJFHSA-N 0 3 352.434 3.476 20 30 FGEDHN Cc1ccccc1C[C@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000188925498 496950077 /nfs/dbraw/zinc/95/00/77/496950077.db2.gz ILIKOZGFXXKJPP-JOCHJYFZSA-N 0 3 374.488 3.465 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Br)c2F)CC1 ZINC000192070644 496985339 /nfs/dbraw/zinc/98/53/39/496985339.db2.gz BWENTKYOZXONSF-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN C[C@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(OCC#N)cc1 ZINC000189046959 496991334 /nfs/dbraw/zinc/99/13/34/496991334.db2.gz NEMYEERFZWBVSN-YWZLYKJASA-N 0 3 367.424 3.180 20 30 FGEDHN Cc1ccc2cc(CN[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2n1 ZINC000192245172 497047894 /nfs/dbraw/zinc/04/78/94/497047894.db2.gz HEUYXBIBJPWEGO-QFIPXVFZSA-N 0 3 370.456 3.306 20 30 FGEDHN CC1(CNCc2cccc(OCc3cccc(C#N)c3)c2)OCCCO1 ZINC000192248796 497048569 /nfs/dbraw/zinc/04/85/69/497048569.db2.gz HEXTVWCFKJXXPB-UHFFFAOYSA-N 0 3 352.434 3.380 20 30 FGEDHN CN(c1ncc(C#N)cc1Cl)C1CCN(CCc2ccccn2)CC1 ZINC000265125845 497052596 /nfs/dbraw/zinc/05/25/96/497052596.db2.gz LGVLRTQISKJFQV-UHFFFAOYSA-N 0 3 355.873 3.145 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000248702027 497082058 /nfs/dbraw/zinc/08/20/58/497082058.db2.gz AJLLERHZMRJXSZ-DYESRHJHSA-N 0 3 362.477 3.220 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2nccs2)C(=S)[N-]C(C2CC2)C2CC2)cc1 ZINC000278355915 497086150 /nfs/dbraw/zinc/08/61/50/497086150.db2.gz XUSSNIJVWRGJRN-UHFFFAOYSA-O 0 3 372.539 3.456 20 30 FGEDHN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000248716903 497087022 /nfs/dbraw/zinc/08/70/22/497087022.db2.gz FGJVKJSOBFKQJV-NSHGMRRFSA-N 0 3 369.509 3.475 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248725645 497088930 /nfs/dbraw/zinc/08/89/30/497088930.db2.gz CUCBFLOCLQWUTE-JZXOWHBKSA-N 0 3 363.527 3.450 20 30 FGEDHN Cc1nnc(SC[C@H]2CN(Cc3ccccc3)CCCO2)c(C#N)c1C ZINC000278520103 497141701 /nfs/dbraw/zinc/14/17/01/497141701.db2.gz GJXSHSAFRMDVIB-GOSISDBHSA-N 0 3 368.506 3.348 20 30 FGEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000278554649 497152209 /nfs/dbraw/zinc/15/22/09/497152209.db2.gz UPTOMFZXBBJFPA-INIZCTEOSA-N 0 3 370.497 3.205 20 30 FGEDHN C=CCOc1c(Br)cc(CNCCC[C@@H](C)O)cc1OC ZINC000278692854 497191939 /nfs/dbraw/zinc/19/19/39/497191939.db2.gz QERFAUBNPLQAGA-GFCCVEGCSA-N 0 3 358.276 3.273 20 30 FGEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265884999 497201312 /nfs/dbraw/zinc/20/13/12/497201312.db2.gz ZXWSVODEFKEOPC-MAUKXSAKSA-N 0 3 359.470 3.324 20 30 FGEDHN C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000192759397 497206932 /nfs/dbraw/zinc/20/69/32/497206932.db2.gz FGJVKJSOBFKQJV-WSTZPKSXSA-N 0 3 369.509 3.475 20 30 FGEDHN Cc1ccccc1OCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278788290 497221162 /nfs/dbraw/zinc/22/11/62/497221162.db2.gz ZZYQFKSSIVKSIU-UHFFFAOYSA-N 0 3 361.449 3.336 20 30 FGEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000249965820 497259796 /nfs/dbraw/zinc/25/97/96/497259796.db2.gz NRIDZVOYFYYHQZ-RCZSKKKRSA-N 0 3 370.541 3.198 20 30 FGEDHN CC[C@@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(C#N)cc1 ZINC000278907062 497262630 /nfs/dbraw/zinc/26/26/30/497262630.db2.gz ZWFQECQSOYTEKM-CTNGQTDRSA-N 0 3 360.461 3.438 20 30 FGEDHN COc1ccc([C@@H](C)CCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000574982531 505897891 /nfs/dbraw/zinc/89/78/91/505897891.db2.gz AZMJWIPGQLHGIK-INIZCTEOSA-N 0 3 372.490 3.124 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)[C@@H](O)c2ccccc2)CC1 ZINC000279449461 497442337 /nfs/dbraw/zinc/44/23/37/497442337.db2.gz FYRKUULQZPPAPK-PMACEKPBSA-N 0 3 359.514 3.228 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000275832018 497443271 /nfs/dbraw/zinc/44/32/71/497443271.db2.gz SOCGLSBHOLXTDA-LPHOPBHVSA-N 0 3 350.528 3.305 20 30 FGEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271802416 497455504 /nfs/dbraw/zinc/45/55/04/497455504.db2.gz PGMCHAGTWYQWKD-UHFFFAOYSA-N 0 3 364.405 3.382 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245573116 497462080 /nfs/dbraw/zinc/46/20/80/497462080.db2.gz YSPCZBBSBYQAFF-FTEYMNFISA-N 0 3 357.498 3.051 20 30 FGEDHN C[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271911729 497486387 /nfs/dbraw/zinc/48/63/87/497486387.db2.gz DVYFJAIUHZHLQO-INIZCTEOSA-N 0 3 353.441 3.380 20 30 FGEDHN C[C@H](Cc1cccs1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193800000 497486907 /nfs/dbraw/zinc/48/69/07/497486907.db2.gz XKBOKBGJHKDEDG-MRXNPFEDSA-N 0 3 370.522 3.324 20 30 FGEDHN N=C(NCc1cccc(CN2CCCC2=O)c1)Nc1cc(F)ccc1F ZINC000262277878 497533660 /nfs/dbraw/zinc/53/36/60/497533660.db2.gz KCCYFTBZKAJZFW-UHFFFAOYSA-N 0 3 358.392 3.014 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(C#N)cn2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190792713 497606072 /nfs/dbraw/zinc/60/60/72/497606072.db2.gz PRLAKJKQOXLKQV-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272460502 497635100 /nfs/dbraw/zinc/63/51/00/497635100.db2.gz QOZWQNFHMSZLKD-INMHGKMJSA-N 0 3 358.511 3.496 20 30 FGEDHN CC1(C#N)CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000272549354 497659385 /nfs/dbraw/zinc/65/93/85/497659385.db2.gz PEKHARYNKBLLKZ-UHFFFAOYSA-N 0 3 372.538 3.435 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000280136418 497660447 /nfs/dbraw/zinc/66/04/47/497660447.db2.gz QUPUVSNFXVIFIQ-VQIMIIECSA-N 0 3 363.392 3.410 20 30 FGEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280207675 497681788 /nfs/dbraw/zinc/68/17/88/497681788.db2.gz UYSRDLUJMOAWBD-WNYOCNMUSA-N 0 3 365.408 3.272 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000280546772 497786462 /nfs/dbraw/zinc/78/64/62/497786462.db2.gz IQKNUAUQZIWHFX-GOSISDBHSA-N 0 3 365.433 3.178 20 30 FGEDHN CCOc1ccnc(N2CCCN([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000246729750 497805175 /nfs/dbraw/zinc/80/51/75/497805175.db2.gz GCTQAJIUCGIADG-MRXNPFEDSA-N 0 3 351.454 3.020 20 30 FGEDHN CN(C)c1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)[N-]C2(C)CC2)cc1 ZINC000284565043 497829997 /nfs/dbraw/zinc/82/99/97/497829997.db2.gz WMZBFJXKATVIKW-UHFFFAOYSA-O 0 3 372.489 3.260 20 30 FGEDHN COc1ccc(C)cc1C(=O)C(C(=S)[N-]C1CC1)[n+]1cccc(C)c1 ZINC000299581794 497856352 /nfs/dbraw/zinc/85/63/52/497856352.db2.gz RJQIJMBEIWIACT-UHFFFAOYSA-O 0 3 355.483 3.290 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCOC[C@@H](C3CCC3)C1)CCC2 ZINC000292098022 497876694 /nfs/dbraw/zinc/87/66/94/497876694.db2.gz HONQAMDWPQEGDU-HNNXBMFYSA-N 0 3 373.522 3.186 20 30 FGEDHN N=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(F)ccc1F ZINC000288731132 497882648 /nfs/dbraw/zinc/88/26/48/497882648.db2.gz NOCXOMXJAKOTEQ-UHFFFAOYSA-N 0 3 374.435 3.100 20 30 FGEDHN C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC)CC1 ZINC000572325821 505941467 /nfs/dbraw/zinc/94/14/67/505941467.db2.gz SHGIBOUHZATABN-MRXNPFEDSA-N 0 3 373.476 3.275 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329748358 497888472 /nfs/dbraw/zinc/88/84/72/497888472.db2.gz SWDYRYPQJZGZBN-QDSNELGPSA-N 0 3 369.513 3.053 20 30 FGEDHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]1C[C@]12CCOC2 ZINC000329754861 497891169 /nfs/dbraw/zinc/89/11/69/497891169.db2.gz XPBAAQXVQTYSRI-ICSRJNTNSA-N 0 3 362.445 3.052 20 30 FGEDHN CCc1c(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cnn1-c1ccccc1 ZINC000329810808 497909750 /nfs/dbraw/zinc/90/97/50/497909750.db2.gz QXVZOLGAYCMPSB-BEFAXECRSA-N 0 3 353.470 3.006 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(C#N)c1C ZINC000296095634 497920322 /nfs/dbraw/zinc/92/03/22/497920322.db2.gz UGPTUZUXPJZRAD-SDNTUTLCSA-N 0 3 357.454 3.032 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000329899766 497945535 /nfs/dbraw/zinc/94/55/35/497945535.db2.gz FRUYDQSCLWVHQK-REWPJTCUSA-N 0 3 371.440 3.289 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)CC2)N2CCCC2)cc1 ZINC000329901500 497945749 /nfs/dbraw/zinc/94/57/49/497945749.db2.gz GZICONKKMQNQBI-PZJWPPBQSA-N 0 3 359.514 3.283 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)[N-]C2CCC2)c1 ZINC000292284340 497954322 /nfs/dbraw/zinc/95/43/22/497954322.db2.gz IOCJHIRSSZSYRR-UHFFFAOYSA-O 0 3 367.494 3.394 20 30 FGEDHN N#Cc1ccc([C@H](O)CN[C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000285024699 497973051 /nfs/dbraw/zinc/97/30/51/497973051.db2.gz ZURFPMYCCAOFHB-QZTJIDSGSA-N 0 3 372.266 3.490 20 30 FGEDHN CC(C(=O)NCC(C)(C)C1=CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000330031349 497997348 /nfs/dbraw/zinc/99/73/48/497997348.db2.gz TUUKQTDJMOYZQJ-AWEZNQCLSA-N 0 3 357.516 3.452 20 30 FGEDHN CC(C(=O)N[C@H](c1ccccc1)C1CCC1)S(=O)(=O)C1CCOCC1 ZINC000330036015 498000064 /nfs/dbraw/zinc/00/00/64/498000064.db2.gz CFMKKWGLTSOXJG-RDTXWAMCSA-N 0 3 365.495 3.467 20 30 FGEDHN CC(C(=O)NC[C@@H]1CCCc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000330045062 498002586 /nfs/dbraw/zinc/00/25/86/498002586.db2.gz HYQGYAYQNWEXPZ-ZBFHGGJFSA-N 0 3 365.495 3.045 20 30 FGEDHN Cc1ccc([C@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)C2CC2)cc1 ZINC000330054861 498005330 /nfs/dbraw/zinc/00/53/30/498005330.db2.gz SRKWUSYUYLYDAE-KSSFIOAISA-N 0 3 365.495 3.385 20 30 FGEDHN Cc1ccccc1[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1CC1 ZINC000330091923 498017416 /nfs/dbraw/zinc/01/74/16/498017416.db2.gz YEMPSKQZPBSDAD-RDTXWAMCSA-N 0 3 365.495 3.385 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296380992 498020484 /nfs/dbraw/zinc/02/04/84/498020484.db2.gz SBQQVIBYKZAYHI-UHFFFAOYSA-N 0 3 374.432 3.103 20 30 FGEDHN COc1ccc2c(c1)C1(CC1)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000292455241 498022299 /nfs/dbraw/zinc/02/22/99/498022299.db2.gz GJTBPYXEGROQPL-IBGZPJMESA-N 0 3 371.440 3.323 20 30 FGEDHN N#Cc1cc(NCCN2CCc3ccccc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301330438 498059295 /nfs/dbraw/zinc/05/92/95/498059295.db2.gz DICNUCOQCKQHGR-UHFFFAOYSA-N 0 3 373.416 3.485 20 30 FGEDHN C=CCC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000569595212 505972751 /nfs/dbraw/zinc/97/27/51/505972751.db2.gz HOYSARDUDIDTQF-UHFFFAOYSA-N 0 3 352.456 3.095 20 30 FGEDHN CCC1(CC)[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)[C@H](C)[C@H]1OC ZINC000581445239 505990264 /nfs/dbraw/zinc/99/02/64/505990264.db2.gz RVKRFOWRDCEKCR-LCGIIJARSA-N 0 3 361.511 3.154 20 30 FGEDHN COc1cc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)ccc1OC(C)C ZINC000331006775 498235443 /nfs/dbraw/zinc/23/54/43/498235443.db2.gz SQTIFTLDMDKMCI-YOEHRIQHSA-N 0 3 367.515 3.005 20 30 FGEDHN N#Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1 ZINC000301828673 498282436 /nfs/dbraw/zinc/28/24/36/498282436.db2.gz GKOTUITVWATSBX-UHFFFAOYSA-N 0 3 361.371 3.079 20 30 FGEDHN N#Cc1cc(N2CC[C@H](OCCN3CCCCC3)C2)c2ccccc2n1 ZINC000301837986 498288251 /nfs/dbraw/zinc/28/82/51/498288251.db2.gz YQIGYFLOHVIQII-SFHVURJKSA-N 0 3 350.466 3.188 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccco1 ZINC000575828141 506013009 /nfs/dbraw/zinc/01/30/09/506013009.db2.gz HRYRCDXOKSRDJP-UXLLHSPISA-N 0 3 355.438 3.164 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(=Cc3cc(C)on3)CC2)CC1 ZINC000360888480 498318884 /nfs/dbraw/zinc/31/88/84/498318884.db2.gz NHBJLRUEVVOBGU-UHFFFAOYSA-N 0 3 358.486 3.212 20 30 FGEDHN COc1ccc([C@@H]2[C@@H](CNC(=O)NCCCCC#N)CCCN2C)cc1 ZINC000360962717 498327877 /nfs/dbraw/zinc/32/78/77/498327877.db2.gz QFNUGRLUIQWICM-IEBWSBKVSA-N 0 3 358.486 3.071 20 30 FGEDHN Cc1ccc(NC(=O)N2CCC(CCC#N)CC2)c(OCCN(C)C)c1 ZINC000572638806 506018360 /nfs/dbraw/zinc/01/83/60/506018360.db2.gz BZRYHBAKAONLJE-UHFFFAOYSA-N 0 3 358.486 3.483 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000365204929 498350893 /nfs/dbraw/zinc/35/08/93/498350893.db2.gz TUMACDRRZSTTAJ-AZOIQLNYSA-N 0 3 359.495 3.176 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](c1cccs1)C(C)(C)CO ZINC000289993133 498386884 /nfs/dbraw/zinc/38/68/84/498386884.db2.gz YNZBKDJFPMJIEN-GOSISDBHSA-N 0 3 360.479 3.357 20 30 FGEDHN COC[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)c(F)c1 ZINC000362258684 498483301 /nfs/dbraw/zinc/48/33/01/498483301.db2.gz RQWYKTJBUOBVSM-LJQANCHMSA-N 0 3 372.419 3.178 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000578892142 506046332 /nfs/dbraw/zinc/04/63/32/506046332.db2.gz MTWGANCOUVVXLN-DFQSSKMNSA-N 0 3 361.449 3.042 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCC3(CCCCC3)CC2)nc1 ZINC000569920390 506047808 /nfs/dbraw/zinc/04/78/08/506047808.db2.gz GGIRISLGBTXEOD-UHFFFAOYSA-N 0 3 361.511 3.210 20 30 FGEDHN Cc1csc([C@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)n1 ZINC000332147072 498580197 /nfs/dbraw/zinc/58/01/97/498580197.db2.gz HUTYEJUEZRHNKA-ZWKOTPCHSA-N 0 3 364.474 3.412 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000290680760 498644560 /nfs/dbraw/zinc/64/45/60/498644560.db2.gz ZPDSXFGQVFJJJT-UHFFFAOYSA-N 0 3 360.417 3.029 20 30 FGEDHN CCc1nc(CN2CCC[C@H](N[C@H](C)c3ccc(C#N)cc3Cl)C2)no1 ZINC000366007239 498730077 /nfs/dbraw/zinc/73/00/77/498730077.db2.gz HYGNOWZNMRLYEX-HIFRSBDPSA-N 0 3 373.888 3.472 20 30 FGEDHN C[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000298427401 498768621 /nfs/dbraw/zinc/76/86/21/498768621.db2.gz LRDHPVPDZAAZGK-BJLQDIEVSA-N 0 3 354.498 3.375 20 30 FGEDHN CCCN1CCC[C@H]1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000328613360 498876118 /nfs/dbraw/zinc/87/61/18/498876118.db2.gz QGTYPPMKEUPYFJ-LBPRGKRZSA-N 0 3 366.263 3.051 20 30 FGEDHN CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Br)cnc2[n-]1 ZINC000328613360 498876123 /nfs/dbraw/zinc/87/61/23/498876123.db2.gz QGTYPPMKEUPYFJ-LBPRGKRZSA-N 0 3 366.263 3.051 20 30 FGEDHN CCC[N@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Br)cnc2[n-]1 ZINC000328613360 498876127 /nfs/dbraw/zinc/87/61/27/498876127.db2.gz QGTYPPMKEUPYFJ-LBPRGKRZSA-N 0 3 366.263 3.051 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cn[nH]c1 ZINC000298818783 498887188 /nfs/dbraw/zinc/88/71/88/498887188.db2.gz BEAUJMVODGJKRY-VXGBXAGGSA-N 0 3 357.483 3.147 20 30 FGEDHN O=C(Nc1ccc(OC(F)F)nc1)N1CCCN(C2CCCC2)CC1 ZINC000328708489 498910325 /nfs/dbraw/zinc/91/03/25/498910325.db2.gz QKXGGBZIVBUIMN-UHFFFAOYSA-N 0 3 354.401 3.179 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@H](C2CCOCC2)C1 ZINC000328853971 498962294 /nfs/dbraw/zinc/96/22/94/498962294.db2.gz SRWBNQHYAPJTEH-HOCLYGCPSA-N 0 3 360.454 3.183 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000328899595 498979174 /nfs/dbraw/zinc/97/91/74/498979174.db2.gz YZWXRQLMBMVBOV-HUUCEWRRSA-N 0 3 359.470 3.092 20 30 FGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1OCC#N ZINC000299147622 498979167 /nfs/dbraw/zinc/97/91/67/498979167.db2.gz KAAUFLWBQOIBKX-AZUAARDMSA-N 0 3 361.445 3.346 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000579235175 506125969 /nfs/dbraw/zinc/12/59/69/506125969.db2.gz ZAJGAEOHMRPWDI-UZLBHIALSA-N 0 3 357.498 3.150 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)oc1C ZINC000366649638 499017243 /nfs/dbraw/zinc/01/72/43/499017243.db2.gz BAZAFONKPKBVSU-GOSISDBHSA-N 0 3 351.450 3.444 20 30 FGEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000295449101 499021501 /nfs/dbraw/zinc/02/15/01/499021501.db2.gz QBOSCPJBVSNQRE-ZWKOTPCHSA-N 0 3 373.497 3.019 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC2=CCCOC2)cc1OC ZINC000288490579 499039724 /nfs/dbraw/zinc/03/97/24/499039724.db2.gz QVECCXWGWZMVAC-UHFFFAOYSA-N 0 3 368.271 3.459 20 30 FGEDHN CCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2NC2CCN(C)CC2)C1 ZINC000329178935 499064601 /nfs/dbraw/zinc/06/46/01/499064601.db2.gz MMBSKVJGPDBYPF-INIZCTEOSA-N 0 3 372.513 3.429 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000284268657 499079961 /nfs/dbraw/zinc/07/99/61/499079961.db2.gz VUXMFNVJOZIZES-LJQANCHMSA-N 0 3 371.525 3.047 20 30 FGEDHN Cc1nn(-c2ccccc2)cc1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000329274633 499089423 /nfs/dbraw/zinc/08/94/23/499089423.db2.gz BGQOQPZCGOLFLN-UHFFFAOYSA-N 0 3 367.497 3.155 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000284393681 499101317 /nfs/dbraw/zinc/10/13/17/499101317.db2.gz PHMWHARBTKDTCW-HXUWFJFHSA-N 0 3 363.461 3.283 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](CN2CCCC2)c2ccccc2)no1 ZINC000329369210 499110070 /nfs/dbraw/zinc/11/00/70/499110070.db2.gz JJUQDOYYFXKOMW-MSOLQXFVSA-N 0 3 369.469 3.266 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](c2ccccc2)N2CCCC2)no1 ZINC000329390909 499113489 /nfs/dbraw/zinc/11/34/89/499113489.db2.gz RLEZUHCLKFKBAN-ZWKOTPCHSA-N 0 3 369.469 3.266 20 30 FGEDHN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)c1 ZINC000329414893 499117490 /nfs/dbraw/zinc/11/74/90/499117490.db2.gz CSNDRLNUXWRWFL-VQTJNVASSA-N 0 3 367.497 3.017 20 30 FGEDHN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCN(Cc4ccccc4)C3)C2)c1 ZINC000329414893 499117493 /nfs/dbraw/zinc/11/74/93/499117493.db2.gz CSNDRLNUXWRWFL-VQTJNVASSA-N 0 3 367.497 3.017 20 30 FGEDHN CN1CC[C@H](NCc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(F)c(F)c1 ZINC000366935563 499119014 /nfs/dbraw/zinc/11/90/14/499119014.db2.gz UBSHBRMSNJYJAE-AZUAARDMSA-N 0 3 367.403 3.019 20 30 FGEDHN N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)o1 ZINC000364139348 499122380 /nfs/dbraw/zinc/12/23/80/499122380.db2.gz SEVKZBRCZOBJIO-KRWDZBQOSA-N 0 3 365.433 3.041 20 30 FGEDHN C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1(C)C ZINC000329449925 499123507 /nfs/dbraw/zinc/12/35/07/499123507.db2.gz CKNLRXJIJRPDFV-QGZVFWFLSA-N 0 3 373.541 3.425 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)[C@H]2C1 ZINC000329454408 499123649 /nfs/dbraw/zinc/12/36/49/499123649.db2.gz POVPZAKRVQSQJB-COZJESOBSA-N 0 3 373.541 3.102 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)[C@H]2C1 ZINC000329461715 499124875 /nfs/dbraw/zinc/12/48/75/499124875.db2.gz SUUNQMUKQXNPOZ-KSSFIOAISA-N 0 3 372.494 3.294 20 30 FGEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000329500750 499128318 /nfs/dbraw/zinc/12/83/18/499128318.db2.gz VXIOVCYJSLAFFN-MDKPJZGXSA-N 0 3 370.497 3.006 20 30 FGEDHN CN1CCC2(CCCN2C(=O)NCc2nc3ccccc3n2C2CC2)CC1 ZINC000329518981 499128916 /nfs/dbraw/zinc/12/89/16/499128916.db2.gz NTLJANAVMZPEFR-UHFFFAOYSA-N 0 3 367.497 3.345 20 30 FGEDHN COCCn1cc2c(n1)[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)CCC2 ZINC000329530972 499129408 /nfs/dbraw/zinc/12/94/08/499129408.db2.gz WCVZHPUAIAMJGP-QZTJIDSGSA-N 0 3 360.502 3.270 20 30 FGEDHN C=CCC[C@H](C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000372503637 499135508 /nfs/dbraw/zinc/13/55/08/499135508.db2.gz NYYBOOWPMBCPHS-ILWGZMRPSA-N 0 3 369.553 3.221 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NC[C@@H]3CCCN(Cc4cccnc4)C3)CC2)cc1 ZINC000372576177 499148075 /nfs/dbraw/zinc/14/80/75/499148075.db2.gz UCESYGBABLNQFW-FQEVSTJZSA-N 0 3 374.488 3.013 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000372591867 499150365 /nfs/dbraw/zinc/15/03/65/499150365.db2.gz HKEVYOQXHJWJGB-FPOVZHCZSA-N 0 3 374.488 3.402 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)c2ccc(C#N)c(Cl)n2)CC1 ZINC000367112388 499150576 /nfs/dbraw/zinc/15/05/76/499150576.db2.gz COJWFEXNVQUQJN-UHFFFAOYSA-N 0 3 368.868 3.310 20 30 FGEDHN C#CCC1(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CCCCC1 ZINC000372697094 499162286 /nfs/dbraw/zinc/16/22/86/499162286.db2.gz RRNMSZXZZKTPOU-OALUTQOASA-N 0 3 360.542 3.308 20 30 FGEDHN Cn1cc(Cl)cc1C(=O)N1CCCN(CCCC(C)(C)C#N)CC1 ZINC000369997251 499163643 /nfs/dbraw/zinc/16/36/43/499163643.db2.gz OAHZSDWCNIRDHD-UHFFFAOYSA-N 0 3 350.894 3.156 20 30 FGEDHN Cc1nnc([C@@H]2CC23CCN(CCCOc2ccc(C#N)cc2)CC3)o1 ZINC000370811699 499257337 /nfs/dbraw/zinc/25/73/37/499257337.db2.gz SOYZEMXFVGOQCJ-SFHVURJKSA-N 0 3 352.438 3.288 20 30 FGEDHN C#CCCCN(Cc1cncnc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000368075062 499261574 /nfs/dbraw/zinc/26/15/74/499261574.db2.gz PSOPVVSCHCMXCL-LJQANCHMSA-N 0 3 372.513 3.482 20 30 FGEDHN C=CCN(C(=O)N[C@@H](C)C1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368388905 499291424 /nfs/dbraw/zinc/29/14/24/499291424.db2.gz DTUVJDSSCNXSAL-RXVVDRJESA-N 0 3 371.525 3.274 20 30 FGEDHN Cc1nnc([C@@H]2CC23CCN(Cc2ccc(N(C)CCC#N)cc2)CC3)o1 ZINC000371334398 499312134 /nfs/dbraw/zinc/31/21/34/499312134.db2.gz XWRMZGAGQPXDIC-IBGZPJMESA-N 0 3 365.481 3.498 20 30 FGEDHN CN(C(=O)C1CCN(CCOc2ccccc2C#N)CC1)c1ccccc1 ZINC000368821109 499336576 /nfs/dbraw/zinc/33/65/76/499336576.db2.gz FTTCOROSOMOSNW-UHFFFAOYSA-N 0 3 363.461 3.312 20 30 FGEDHN COc1ccc(CNc2cccc3c2CCN(CC(C)(C)O)C3)cc1C#N ZINC000371753199 499361854 /nfs/dbraw/zinc/36/18/54/499361854.db2.gz NKXROEMURXLURG-UHFFFAOYSA-N 0 3 365.477 3.308 20 30 FGEDHN COc1cc(CNC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1C#N ZINC000369206230 499377204 /nfs/dbraw/zinc/37/72/04/499377204.db2.gz UZFYNZXHMBEUQV-UHFFFAOYSA-N 0 3 367.415 3.462 20 30 FGEDHN CC(C)[C@@H](C(=O)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1)N(C)C ZINC000371985286 499387140 /nfs/dbraw/zinc/38/71/40/499387140.db2.gz FFRBFPDOGJGNRT-DYVFJYSZSA-N 0 3 356.495 3.445 20 30 FGEDHN N#Cc1ncn(C2CCN(CCCOc3cccc4ccccc43)CC2)n1 ZINC000369390191 499398629 /nfs/dbraw/zinc/39/86/29/499398629.db2.gz XMVHTBOGPXHRKY-UHFFFAOYSA-N 0 3 361.449 3.409 20 30 FGEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000369606893 499425662 /nfs/dbraw/zinc/42/56/62/499425662.db2.gz JASLGUBVABXOSB-GBESFXJTSA-N 0 3 351.535 3.264 20 30 FGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372394321 499428514 /nfs/dbraw/zinc/42/85/14/499428514.db2.gz MAMCYEQCXXASJP-OTWHNJEPSA-N 0 3 360.502 3.162 20 30 FGEDHN C#CCCN1CCC(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000369753955 499440798 /nfs/dbraw/zinc/44/07/98/499440798.db2.gz TVJJWQOBOXVEEJ-UHFFFAOYSA-N 0 3 367.518 3.265 20 30 FGEDHN CCN1CCc2c(cccc2NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000373406448 499467986 /nfs/dbraw/zinc/46/79/86/499467986.db2.gz RCLWYQAGSMHHRC-LJQANCHMSA-N 0 3 358.445 3.257 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000380685862 499543969 /nfs/dbraw/zinc/54/39/69/499543969.db2.gz KVXJPJXCQQAACA-RTBURBONSA-N 0 3 362.433 3.425 20 30 FGEDHN N#CCCN(C(=O)CNC1(C2CC2)CCOCC1)c1cccc(Cl)c1 ZINC000375695551 499546462 /nfs/dbraw/zinc/54/64/62/499546462.db2.gz BBRXSMQMNWILOE-UHFFFAOYSA-N 0 3 361.873 3.135 20 30 FGEDHN N#Cc1c(NC(=O)CNC2(C3CC3)CCOCC2)sc2c1CCCCC2 ZINC000375699642 499546778 /nfs/dbraw/zinc/54/67/78/499546778.db2.gz BGEONBGAJPBZOF-UHFFFAOYSA-N 0 3 373.522 3.376 20 30 FGEDHN CN(C(=O)COc1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388154259 499550348 /nfs/dbraw/zinc/55/03/48/499550348.db2.gz HDFVPPNPCRCKGZ-FQEVSTJZSA-N 0 3 363.461 3.060 20 30 FGEDHN C#CCOc1ccccc1CNC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000375749871 499551443 /nfs/dbraw/zinc/55/14/43/499551443.db2.gz IDJLRJGZAXIWEU-UHFFFAOYSA-N 0 3 371.868 3.075 20 30 FGEDHN CC(C)[C@H](CNc1cccc(Br)c1C#N)N1CCN(C)CC1 ZINC000389528171 499552669 /nfs/dbraw/zinc/55/26/69/499552669.db2.gz BGZQNLYADFPQKS-KRWDZBQOSA-N 0 3 365.319 3.005 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000390910721 499556365 /nfs/dbraw/zinc/55/63/65/499556365.db2.gz WOZCKCLLSUGJRL-FQEVSTJZSA-N 0 3 353.441 3.078 20 30 FGEDHN Cc1nc(NCC2(O)CCN(Cc3ccccc3)CC2)c(Cl)cc1C#N ZINC000397556316 499564283 /nfs/dbraw/zinc/56/42/83/499564283.db2.gz MTJCJZHTGHBJDS-UHFFFAOYSA-N 0 3 370.884 3.354 20 30 FGEDHN C[C@@]1(CNC(=O)COc2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000397987620 499565772 /nfs/dbraw/zinc/56/57/72/499565772.db2.gz KWCNXFIWEXAKLH-QFIPXVFZSA-N 0 3 363.461 3.108 20 30 FGEDHN N#Cc1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1F ZINC000404061640 499569744 /nfs/dbraw/zinc/56/97/44/499569744.db2.gz IHPRQDZURBWULY-FCHUYYIVSA-N 0 3 365.452 3.173 20 30 FGEDHN Cc1c(Cl)cnc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000408183950 499579460 /nfs/dbraw/zinc/57/94/60/499579460.db2.gz VOZSPFMGTUEPPS-KBPBESRZSA-N 0 3 362.905 3.241 20 30 FGEDHN Cc1cnc([C@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)s1 ZINC000376091823 499582426 /nfs/dbraw/zinc/58/24/26/499582426.db2.gz CVHOJCAVLKJHRC-ZWKOTPCHSA-N 0 3 364.474 3.412 20 30 FGEDHN CC[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)C[C@]2(CCCOC2)O1 ZINC000376439149 499608894 /nfs/dbraw/zinc/60/88/94/499608894.db2.gz AXTKKFJJWDQANE-SFTDATJTSA-N 0 3 357.498 3.196 20 30 FGEDHN CN(C)c1ccc(C2=CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000376759782 499633567 /nfs/dbraw/zinc/63/35/67/499633567.db2.gz XCTXRALQMBJMOO-OAQYLSRUSA-N 0 3 370.456 3.232 20 30 FGEDHN C=CCN1CC[C@H](N(CCC)[C@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000410347525 499656678 /nfs/dbraw/zinc/65/66/78/499656678.db2.gz OSJLVMWVLIEGQZ-SFTDATJTSA-N 0 3 355.526 3.150 20 30 FGEDHN CN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000410522846 499666013 /nfs/dbraw/zinc/66/60/13/499666013.db2.gz HOIVIWSSLLGGLN-HUUCEWRRSA-N 0 3 353.388 3.430 20 30 FGEDHN COc1cc(CN2CCCN(C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000411153548 499703780 /nfs/dbraw/zinc/70/37/80/499703780.db2.gz JLRCTUOQDHFHCX-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN N#Cc1ccc(CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000411194107 499709237 /nfs/dbraw/zinc/70/92/37/499709237.db2.gz PNFUXJSTNKCSKR-UHFFFAOYSA-N 0 3 364.405 3.460 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377624561 499712271 /nfs/dbraw/zinc/71/22/71/499712271.db2.gz PQLJJXGAKUCLOO-OAGGEKHMSA-N 0 3 374.510 3.066 20 30 FGEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000411252328 499717510 /nfs/dbraw/zinc/71/75/10/499717510.db2.gz BLKWLPRHHMLEKJ-QGZVFWFLSA-N 0 3 364.530 3.245 20 30 FGEDHN C=CCC[C@H](NCC(=O)N1CCC[C@H](C(=O)OCC)C1)c1ccccc1 ZINC000411476667 499745430 /nfs/dbraw/zinc/74/54/30/499745430.db2.gz VEJFFTIBKMRJDC-OALUTQOASA-N 0 3 358.482 3.085 20 30 FGEDHN CN(CCC1(C#N)CCCCC1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000411594191 499767118 /nfs/dbraw/zinc/76/71/18/499767118.db2.gz GVDDWUDUWHQLDN-ROUUACIJSA-N 0 3 359.493 3.185 20 30 FGEDHN CN(C)C(=O)[C@@H]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000414502833 499800072 /nfs/dbraw/zinc/80/00/72/499800072.db2.gz VFGHBPGWYDASMH-HXUWFJFHSA-N 0 3 363.461 3.047 20 30 FGEDHN CCS(=O)(=O)CCCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000414542189 499805762 /nfs/dbraw/zinc/80/57/62/499805762.db2.gz KBTFYSDZFLSUHU-UHFFFAOYSA-N 0 3 372.490 3.052 20 30 FGEDHN N#CC1(CCCN2CC[C@]3(C2)CC(=O)c2ccccc2O3)CCOCC1 ZINC000411980088 499809252 /nfs/dbraw/zinc/80/92/52/499809252.db2.gz IPFLFIZYMOUCPD-OAQYLSRUSA-N 0 3 354.450 3.197 20 30 FGEDHN N#Cc1cccc(OCCN[C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000412011322 499812930 /nfs/dbraw/zinc/81/29/30/499812930.db2.gz NUPDFSFQNAXVQI-NRFANRHFSA-N 0 3 366.461 3.057 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412035988 499815365 /nfs/dbraw/zinc/81/53/65/499815365.db2.gz ICMQSZOQMQHKJP-UHFFFAOYSA-N 0 3 361.442 3.152 20 30 FGEDHN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3)CCCC1(C)C ZINC000415198649 499875865 /nfs/dbraw/zinc/87/58/65/499875865.db2.gz UUOJSPAQLFSUGF-KRWDZBQOSA-N 0 3 373.472 3.003 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1)C(C)C ZINC000413105642 499914780 /nfs/dbraw/zinc/91/47/80/499914780.db2.gz AEGHITTWAYWZJD-PWRODBHTSA-N 0 3 371.525 3.203 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000413248978 499932382 /nfs/dbraw/zinc/93/23/82/499932382.db2.gz YFBRJCFHRIETOK-SJORKVTESA-N 0 3 351.535 3.308 20 30 FGEDHN NCc1cc(NC(=O)N2CC(F)(F)C(F)(F)C2)cc(C(F)(F)F)c1 ZINC000415971553 499935603 /nfs/dbraw/zinc/93/56/03/499935603.db2.gz NKLJTXTWTGLEHO-UHFFFAOYSA-N 0 3 359.245 3.282 20 30 FGEDHN CN(C)[C@H](CC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000416178190 499970562 /nfs/dbraw/zinc/97/05/62/499970562.db2.gz GZTRPOGBIBELIP-RTWAWAEBSA-N 0 3 363.461 3.151 20 30 FGEDHN CN(C)[C@H](CC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000416178189 499970599 /nfs/dbraw/zinc/97/05/99/499970599.db2.gz GZTRPOGBIBELIP-NHCUHLMSSA-N 0 3 363.461 3.151 20 30 FGEDHN COc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000416339152 500019436 /nfs/dbraw/zinc/01/94/36/500019436.db2.gz GJPUTOHBMAJAPA-UHFFFAOYSA-N 0 3 367.449 3.079 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc2c1CN(C)C2=O)C(C)C ZINC000417275149 500025462 /nfs/dbraw/zinc/02/54/62/500025462.db2.gz CPOSCFFSYQPZOI-LJQANCHMSA-N 0 3 370.497 3.092 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000425269271 500061127 /nfs/dbraw/zinc/06/11/27/500061127.db2.gz QMBMPQUFBYQVSJ-MOPGFXCFSA-N 0 3 362.433 3.425 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000429476412 500083917 /nfs/dbraw/zinc/08/39/17/500083917.db2.gz UTPNCRJLDULWDS-RTBURBONSA-N 0 3 363.546 3.454 20 30 FGEDHN C[C@H]1CC[C@H](N(C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000429583202 500107419 /nfs/dbraw/zinc/10/74/19/500107419.db2.gz ABRCTSJUSDYGTH-YOEHRIQHSA-N 0 3 352.400 3.294 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000421707968 500125056 /nfs/dbraw/zinc/12/50/56/500125056.db2.gz YTRBLGILRXJFRA-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000429715073 500129640 /nfs/dbraw/zinc/12/96/40/500129640.db2.gz YVJBCIRWMVHFJH-UHFFFAOYSA-N 0 3 359.495 3.479 20 30 FGEDHN COc1ccccc1COC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425537300 500136918 /nfs/dbraw/zinc/13/69/18/500136918.db2.gz QMBZVBOQQBQSAC-JXFKEZNVSA-N 0 3 354.450 3.137 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C#N)o1 ZINC000429898979 500164164 /nfs/dbraw/zinc/16/41/64/500164164.db2.gz XTUKHOGKFGAIBU-IBGZPJMESA-N 0 3 351.450 3.354 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(C#N)s2)N(C)C)cc1 ZINC000422136154 500218716 /nfs/dbraw/zinc/21/87/16/500218716.db2.gz HPJMECUJESRUAP-SFHVURJKSA-N 0 3 356.495 3.284 20 30 FGEDHN CCN(CC(=O)OC(C)(C)C)C1CC(N[C@H](C)c2cccc(C#N)c2)C1 ZINC000426038968 500229354 /nfs/dbraw/zinc/22/93/54/500229354.db2.gz HYPGTEUKDPBLRX-VNCLNFNDSA-N 0 3 357.498 3.403 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C#N)s2)CC1 ZINC000422221423 500236857 /nfs/dbraw/zinc/23/68/57/500236857.db2.gz YUYOIZGUEWURHA-UHFFFAOYSA-N 0 3 358.467 3.019 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)NCCCNCc1cccnc1 ZINC000418333357 500263462 /nfs/dbraw/zinc/26/34/62/500263462.db2.gz UYHJBWPPOKMGKP-UHFFFAOYSA-N 0 3 356.445 3.098 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000426366395 500265174 /nfs/dbraw/zinc/26/51/74/500265174.db2.gz QHBPRSKWXIIJSV-WOJBJXKFSA-N 0 3 357.498 3.028 20 30 FGEDHN O=C(CN1C[C@@H]2CCCC[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426777894 500318788 /nfs/dbraw/zinc/31/87/88/500318788.db2.gz ROJQRXVBMQXOOF-IRXDYDNUSA-N 0 3 364.411 3.295 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000579501656 506189679 /nfs/dbraw/zinc/18/96/79/506189679.db2.gz LHIDYYNPPDROPE-SFHVURJKSA-N 0 3 371.525 3.150 20 30 FGEDHN C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)OCCc2sccc21 ZINC000427211445 500368024 /nfs/dbraw/zinc/36/80/24/500368024.db2.gz WRGMCOKBMREZTN-OXQOHEQNSA-N 0 3 354.475 3.425 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C[C@@H](c2ccccc2)N2CCC(C)CC2)C1=O ZINC000419950960 500409606 /nfs/dbraw/zinc/40/96/06/500409606.db2.gz MYCQEYFXGIGMFS-OALUTQOASA-N 0 3 355.482 3.346 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000427717092 500424022 /nfs/dbraw/zinc/42/40/22/500424022.db2.gz AEJIGFHHSQVJLX-IBGZPJMESA-N 0 3 355.482 3.178 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000424060069 500445616 /nfs/dbraw/zinc/44/56/16/500445616.db2.gz GTVDMZQFFWWYGR-ZDUSSCGKSA-N 0 3 366.252 3.198 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2ncc(C#N)cc2Cl)N(C)C)cc1 ZINC000427927580 500446308 /nfs/dbraw/zinc/44/63/08/500446308.db2.gz ZYRREKMGRLDZBA-KRWDZBQOSA-N 0 3 356.857 3.202 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000424082614 500449598 /nfs/dbraw/zinc/44/95/98/500449598.db2.gz AGMIYLSLTORUJH-FQEVSTJZSA-N 0 3 351.450 3.041 20 30 FGEDHN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cc1 ZINC000424095627 500452419 /nfs/dbraw/zinc/45/24/19/500452419.db2.gz XREREEXIFRIYKP-FQEVSTJZSA-N 0 3 369.509 3.328 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000424129735 500458385 /nfs/dbraw/zinc/45/83/85/500458385.db2.gz GTCCJKBGUHJYCV-MRXNPFEDSA-N 0 3 358.829 3.274 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000424129734 500458393 /nfs/dbraw/zinc/45/83/93/500458393.db2.gz GTCCJKBGUHJYCV-INIZCTEOSA-N 0 3 358.829 3.274 20 30 FGEDHN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424145161 500459885 /nfs/dbraw/zinc/45/98/85/500459885.db2.gz UIZUHRARBCZEBS-IAQYHMDHSA-N 0 3 360.458 3.456 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000432073512 500463536 /nfs/dbraw/zinc/46/35/36/500463536.db2.gz WYJBFAZWVQIPOI-UHFFFAOYSA-N 0 3 372.557 3.490 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000424183338 500465009 /nfs/dbraw/zinc/46/50/09/500465009.db2.gz BLBZZKYZUWVSSQ-CQSZACIVSA-N 0 3 357.351 3.013 20 30 FGEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000424206019 500468701 /nfs/dbraw/zinc/46/87/01/500468701.db2.gz WNSDNKABWWGFJU-WMLDXEAASA-N 0 3 352.438 3.030 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000424242909 500473838 /nfs/dbraw/zinc/47/38/38/500473838.db2.gz JPNNMKNTXWTJIZ-IAGOWNOFSA-N 0 3 361.559 3.487 20 30 FGEDHN Cc1cc(CN)cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000424438161 500505267 /nfs/dbraw/zinc/50/52/67/500505267.db2.gz PIDCMMJQIGRGQN-UHFFFAOYSA-N 0 3 363.465 3.070 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1 ZINC000432557752 500532378 /nfs/dbraw/zinc/53/23/78/500532378.db2.gz MXEBYKSQMJICHK-NRFANRHFSA-N 0 3 364.493 3.437 20 30 FGEDHN CC(C)c1ccc(C[C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000576630932 506201907 /nfs/dbraw/zinc/20/19/07/506201907.db2.gz VSEWOKXBHSPVJT-MRXNPFEDSA-N 0 3 371.506 3.071 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)Cc2ccccc2C(F)(F)F)cc1F ZINC000576630364 506202018 /nfs/dbraw/zinc/20/20/18/506202018.db2.gz OXPBCZYIPBTUCK-HNNXBMFYSA-N 0 3 352.331 3.409 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000447412428 500603140 /nfs/dbraw/zinc/60/31/40/500603140.db2.gz JHBOFWKDYPBUKF-UHFFFAOYSA-N 0 3 357.454 3.118 20 30 FGEDHN N#CCCC[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000433012080 500606594 /nfs/dbraw/zinc/60/65/94/500606594.db2.gz RICKBQDCXBFPPV-SLFFLAALSA-N 0 3 355.482 3.181 20 30 FGEDHN CN(C)CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000447439041 500606608 /nfs/dbraw/zinc/60/66/08/500606608.db2.gz HAUQCZSGIMHTIZ-UHFFFAOYSA-N 0 3 360.417 3.422 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000442715759 500614452 /nfs/dbraw/zinc/61/44/52/500614452.db2.gz ASQAMDNRWRYWMF-UHFFFAOYSA-N 0 3 372.513 3.098 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000442899866 500644121 /nfs/dbraw/zinc/64/41/21/500644121.db2.gz LVIRLHKSPJNPLG-GUDVDZBRSA-N 0 3 371.525 3.209 20 30 FGEDHN N#Cc1cnc(C(=O)NCCN2CCC3(CCCCC3)CC2)c(Cl)c1 ZINC000442959728 500653465 /nfs/dbraw/zinc/65/34/65/500653465.db2.gz AWNKJMXLPNPBIB-UHFFFAOYSA-N 0 3 360.889 3.383 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000433316890 500670915 /nfs/dbraw/zinc/67/09/15/500670915.db2.gz JUXFKQXBBAWKRC-FQEVSTJZSA-N 0 3 362.477 3.461 20 30 FGEDHN N#CCCn1cc(CNCCSCC(F)(F)F)c(-c2ccncc2)n1 ZINC000433330225 500674489 /nfs/dbraw/zinc/67/44/89/500674489.db2.gz AXVLBGBIQITQQB-UHFFFAOYSA-N 0 3 369.416 3.244 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433371011 500682945 /nfs/dbraw/zinc/68/29/45/500682945.db2.gz KDLPCKBQEVUGQJ-STZQEDGTSA-N 0 3 361.489 3.396 20 30 FGEDHN C[C@H](O)C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433383287 500685279 /nfs/dbraw/zinc/68/52/79/500685279.db2.gz HDTRUBVUXINBPO-YYWHXJBOSA-N 0 3 350.462 3.430 20 30 FGEDHN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000447926501 500691056 /nfs/dbraw/zinc/69/10/56/500691056.db2.gz MJNBYGRTOKDWKA-HRAATJIYSA-N 0 3 354.425 3.239 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000437787793 500695644 /nfs/dbraw/zinc/69/56/44/500695644.db2.gz LZWVPYCWFLGIFY-ONTIZHBOSA-N 0 3 371.525 3.322 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000438848226 500826682 /nfs/dbraw/zinc/82/66/82/500826682.db2.gz FVTIVVPMUCVXNK-IBGZPJMESA-N 0 3 372.513 3.220 20 30 FGEDHN CC1CCN([C@H](CNC(=O)c2ccc(C#N)n2C)c2ccccc2)CC1 ZINC000448766585 500827789 /nfs/dbraw/zinc/82/77/89/500827789.db2.gz CEWFVYQSFNXXEZ-HXUWFJFHSA-N 0 3 350.466 3.100 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434355834 500830923 /nfs/dbraw/zinc/83/09/23/500830923.db2.gz QSKZYLXMYBPDTB-FQEVSTJZSA-N 0 3 352.482 3.273 20 30 FGEDHN C[C@@H](NCc1cccc(C#N)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000602574042 506221500 /nfs/dbraw/zinc/22/15/00/506221500.db2.gz FMOOLZOZPZGXEL-IIBYNOLFSA-N 0 3 351.450 3.368 20 30 FGEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000439437039 500897020 /nfs/dbraw/zinc/89/70/20/500897020.db2.gz JRLBHYADZOAPBH-NRFANRHFSA-N 0 3 369.896 3.280 20 30 FGEDHN COc1ccc(CN(C[C@H](O)COc2ccccc2)C(C)C)cc1C#N ZINC000444801257 500902746 /nfs/dbraw/zinc/90/27/46/500902746.db2.gz LHLAILRSNXTAQC-IBGZPJMESA-N 0 3 354.450 3.217 20 30 FGEDHN CC1(C#N)CCC(Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)CC1 ZINC000449052623 500912148 /nfs/dbraw/zinc/91/21/48/500912148.db2.gz DWPNVGFZDXOOAZ-MPQSDHOMSA-N 0 3 354.498 3.268 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)C(C)C ZINC000435034458 500924614 /nfs/dbraw/zinc/92/46/14/500924614.db2.gz NDZNNQLXRPLHFU-HXUWFJFHSA-N 0 3 351.494 3.405 20 30 FGEDHN CC(C)(C)OC(=O)CN[C@@]1(C)CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000440532089 501020048 /nfs/dbraw/zinc/02/00/48/501020048.db2.gz KLVNELULCNUVGX-QFIPXVFZSA-N 0 3 371.525 3.383 20 30 FGEDHN C=CCC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccccc1 ZINC000435762175 501024415 /nfs/dbraw/zinc/02/44/15/501024415.db2.gz NQKBDSABHIILRH-WOJBJXKFSA-N 0 3 359.514 3.446 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000449548961 501030217 /nfs/dbraw/zinc/03/02/17/501030217.db2.gz SLTSXDOKRBHVPK-MOPGFXCFSA-N 0 3 354.450 3.492 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(Nc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450388409 501107987 /nfs/dbraw/zinc/10/79/87/501107987.db2.gz HWJRHTCLMINPGT-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN CCOC(=O)[C@@](C)(CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602631531 506239421 /nfs/dbraw/zinc/23/94/21/506239421.db2.gz QEOPMBFTSBNKIO-PXNSSMCTSA-N 0 3 358.482 3.196 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000450275726 501223810 /nfs/dbraw/zinc/22/38/10/501223810.db2.gz KMWJPBRGFKIHRU-RBBKRZOGSA-N 0 3 350.462 3.356 20 30 FGEDHN CCO[C@H]1C[C@@H](NCC(=O)N(CCC#N)c2ccccc2)C12CCCC2 ZINC000450974086 501236233 /nfs/dbraw/zinc/23/62/33/501236233.db2.gz VGBLAMJTXKESQW-MOPGFXCFSA-N 0 3 355.482 3.261 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000451141818 501247815 /nfs/dbraw/zinc/24/78/15/501247815.db2.gz HZJVGMKAHBAJBZ-UXHICEINSA-N 0 3 357.498 3.055 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCC1 ZINC000455273735 501260304 /nfs/dbraw/zinc/26/03/04/501260304.db2.gz NCZHWHMKFZXLHG-HKUYNNGSSA-N 0 3 354.498 3.423 20 30 FGEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451330065 501266970 /nfs/dbraw/zinc/26/69/70/501266970.db2.gz LHFIIPVGNBZSRA-SFHVURJKSA-N 0 3 357.841 3.206 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c2ccccc21 ZINC000451413854 501286748 /nfs/dbraw/zinc/28/67/48/501286748.db2.gz HQNSBVFNKRZWPE-UIFIKXQLSA-N 0 3 365.477 3.363 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](COC)CC1)C(C)C ZINC000457760594 501303286 /nfs/dbraw/zinc/30/32/86/501303286.db2.gz XBHRTNMEYYJEJE-MOPGFXCFSA-N 0 3 351.535 3.143 20 30 FGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453364278 501320505 /nfs/dbraw/zinc/32/05/05/501320505.db2.gz RDYDMGOPHMHUEE-DOTOQJQBSA-N 0 3 351.512 3.381 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)C)CC1 ZINC000453445725 501333553 /nfs/dbraw/zinc/33/35/53/501333553.db2.gz OFCCXNLNYNGEPA-UHFFFAOYSA-N 0 3 369.513 3.272 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCCN(C(C)C)CC1 ZINC000453449968 501334706 /nfs/dbraw/zinc/33/47/06/501334706.db2.gz GPEKPQVMFRWBJB-UHFFFAOYSA-N 0 3 359.543 3.427 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453455494 501336860 /nfs/dbraw/zinc/33/68/60/501336860.db2.gz SGUZGZGZYFIOMV-QGZVFWFLSA-N 0 3 354.502 3.145 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000453458912 501337893 /nfs/dbraw/zinc/33/78/93/501337893.db2.gz AYYYFWNHHAKCRB-KSZLIROESA-N 0 3 359.518 3.159 20 30 FGEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 ZINC000451702441 501355329 /nfs/dbraw/zinc/35/53/29/501355329.db2.gz SMEBSVAOQNOVOS-GVDBMIGSSA-N 0 3 353.384 3.420 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000451759820 501367103 /nfs/dbraw/zinc/36/71/03/501367103.db2.gz SDRGSTBYFAZATP-HXUWFJFHSA-N 0 3 356.441 3.352 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455762547 501381363 /nfs/dbraw/zinc/38/13/63/501381363.db2.gz ZGDGQUBUVYFBTR-UHFFFAOYSA-N 0 3 357.845 3.202 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000451888024 501393274 /nfs/dbraw/zinc/39/32/74/501393274.db2.gz HKVGVFYVOFWQDY-UTKZUKDTSA-N 0 3 364.578 3.262 20 30 FGEDHN C=CCOCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458207509 501393454 /nfs/dbraw/zinc/39/34/54/501393454.db2.gz VXDXVZIVBOBPSI-LEWJYISDSA-N 0 3 368.452 3.113 20 30 FGEDHN Cc1cc(Cl)c2ncc(C#N)c(NCCCN3CCC(O)CC3)c2c1 ZINC000596086568 506250577 /nfs/dbraw/zinc/25/05/77/506250577.db2.gz ROLNQGHPDNUEBB-UHFFFAOYSA-N 0 3 358.873 3.327 20 30 FGEDHN Cc1oc(NC(=O)CNC2(Cc3ccccc3)CCOCC2)c(C#N)c1C ZINC000451933859 501403976 /nfs/dbraw/zinc/40/39/76/501403976.db2.gz CSYIVDUFMMIVOE-UHFFFAOYSA-N 0 3 367.449 3.088 20 30 FGEDHN Cc1oc([N-]C(=O)C[NH2+]C2(Cc3ccccc3)CCOCC2)c(C#N)c1C ZINC000451933859 501403978 /nfs/dbraw/zinc/40/39/78/501403978.db2.gz CSYIVDUFMMIVOE-UHFFFAOYSA-N 0 3 367.449 3.088 20 30 FGEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000452014651 501418899 /nfs/dbraw/zinc/41/88/99/501418899.db2.gz LEPNSOSWJYSUBM-BFYDXBDKSA-N 0 3 361.511 3.424 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000452061206 501426732 /nfs/dbraw/zinc/42/67/32/501426732.db2.gz OUCDOUQDUFBGIC-LJQANCHMSA-N 0 3 369.490 3.442 20 30 FGEDHN COc1cc(C#N)ccc1CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452115574 501437869 /nfs/dbraw/zinc/43/78/69/501437869.db2.gz KQIOLEVNDYLEQD-UHFFFAOYSA-N 0 3 355.404 3.415 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1F ZINC000454132435 501467713 /nfs/dbraw/zinc/46/77/13/501467713.db2.gz FSOLYRVDTMDKFH-UHFFFAOYSA-N 0 3 366.440 3.161 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCC(C)(C)CC#N)N(C)C)cc1 ZINC000458772629 501528815 /nfs/dbraw/zinc/52/88/15/501528815.db2.gz ZWYQWADFWKSICK-GOSISDBHSA-N 0 3 360.502 3.316 20 30 FGEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458795939 501533826 /nfs/dbraw/zinc/53/38/26/501533826.db2.gz DKCWVCPCJUYLQZ-VQTJNVASSA-N 0 3 372.513 3.174 20 30 FGEDHN C=CC(C)(C)CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000458990306 501572969 /nfs/dbraw/zinc/57/29/69/501572969.db2.gz RJMCOFXRJZNAEW-IAGOWNOFSA-N 0 3 351.535 3.120 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000454555496 501576861 /nfs/dbraw/zinc/57/68/61/501576861.db2.gz XZFUHEMVYRPMTD-INIZCTEOSA-N 0 3 365.905 3.020 20 30 FGEDHN C=CCC1(CNC(=O)N(C)C2CCN(CCn3cccn3)CC2)CCCC1 ZINC000459056603 501584457 /nfs/dbraw/zinc/58/44/57/501584457.db2.gz WOGGOOHRIMRKNA-UHFFFAOYSA-N 0 3 373.545 3.125 20 30 FGEDHN C=CCC1(CNC(=O)N(CCC)CCN2CCN(CC)CC2)CCCC1 ZINC000459059938 501585190 /nfs/dbraw/zinc/58/51/90/501585190.db2.gz FTRWJRCJRNEFNV-UHFFFAOYSA-N 0 3 364.578 3.182 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000459113103 501596118 /nfs/dbraw/zinc/59/61/18/501596118.db2.gz HQCWNTHAQYOWET-UHFFFAOYSA-N 0 3 368.456 3.407 20 30 FGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598987608 506263743 /nfs/dbraw/zinc/26/37/43/506263743.db2.gz KEFOSFRJSQTWAQ-IRXDYDNUSA-N 0 3 354.498 3.083 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454814542 501635819 /nfs/dbraw/zinc/63/58/19/501635819.db2.gz YIZAHOJAPGQRCI-FOIQADDNSA-N 0 3 366.440 3.017 20 30 FGEDHN CC(C)N1CC[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000457082151 501647223 /nfs/dbraw/zinc/64/72/23/501647223.db2.gz DQJHCWQRQSPTLJ-KRWDZBQOSA-N 0 3 352.482 3.500 20 30 FGEDHN N#Cc1ccccc1CN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000598992988 506266499 /nfs/dbraw/zinc/26/64/99/506266499.db2.gz GZWJQAJEFCZNBC-IBGZPJMESA-N 0 3 371.278 3.330 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000459561852 501677142 /nfs/dbraw/zinc/67/71/42/501677142.db2.gz NJVTVWTYZPQASA-WFASDCNBSA-N 0 3 355.467 3.108 20 30 FGEDHN CO[C@H]1C[C@H](NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC000459753780 501709163 /nfs/dbraw/zinc/70/91/63/501709163.db2.gz NWFZIJVZZPAFAM-OALUTQOASA-N 0 3 355.482 3.097 20 30 FGEDHN CO[C@H]1C[C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000459766779 501711275 /nfs/dbraw/zinc/71/12/75/501711275.db2.gz PTIKYEWXPWURLC-OALUTQOASA-N 0 3 355.482 3.097 20 30 FGEDHN C=CCCCN(C)C(=O)C(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000460060896 501725706 /nfs/dbraw/zinc/72/57/06/501725706.db2.gz UENKCUVJQQFYPZ-ICSRJNTNSA-N 0 3 371.525 3.095 20 30 FGEDHN N#Cc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000460283788 501780810 /nfs/dbraw/zinc/78/08/10/501780810.db2.gz UHGKKHNEBGYTIC-UHFFFAOYSA-N 0 3 363.461 3.353 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2coc(-c3cccs3)n2)cc1 ZINC000470727678 501783952 /nfs/dbraw/zinc/78/39/52/501783952.db2.gz PWFDDKSCALYENC-HNNXBMFYSA-N 0 3 362.414 3.273 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2OC(F)F)cc1 ZINC000470729848 501784131 /nfs/dbraw/zinc/78/41/31/501784131.db2.gz LVSNIUQYFMHVME-INIZCTEOSA-N 0 3 355.344 3.158 20 30 FGEDHN CN(CCOc1ccccc1Cl)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470754976 501793233 /nfs/dbraw/zinc/79/32/33/501793233.db2.gz KPMAGEGURPMSHQ-KRWDZBQOSA-N 0 3 367.836 3.431 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000481514035 501797098 /nfs/dbraw/zinc/79/70/98/501797098.db2.gz IEYLBWCAEDGRLO-UVFQYZLESA-N 0 3 374.868 3.317 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000481514034 501797261 /nfs/dbraw/zinc/79/72/61/501797261.db2.gz IEYLBWCAEDGRLO-NBQZKYEYSA-N 0 3 374.868 3.317 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477867368 501813895 /nfs/dbraw/zinc/81/38/95/501813895.db2.gz XTMGJZLVWWCZBW-OAHLLOKOSA-N 0 3 367.415 3.231 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000470829717 501821437 /nfs/dbraw/zinc/82/14/37/501821437.db2.gz FHMMKIKCPXTQLT-QFBILLFUSA-N 0 3 363.392 3.410 20 30 FGEDHN COc1ccc(C(=O)NCCN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481636688 501837998 /nfs/dbraw/zinc/83/79/98/501837998.db2.gz BTQWHTUGKKTTSH-OAQYLSRUSA-N 0 3 363.461 3.354 20 30 FGEDHN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(CC)CC1 ZINC000460542221 501856083 /nfs/dbraw/zinc/85/60/83/501856083.db2.gz CSMFMSQJKIWMLA-UHFFFAOYSA-N 0 3 369.513 3.274 20 30 FGEDHN CCc1nnc(NCC2(N3CCC(OC)CC3)CCCC2)c(C#N)c1CC ZINC000467794690 501875716 /nfs/dbraw/zinc/87/57/16/501875716.db2.gz BLRQEMVBFRKONX-UHFFFAOYSA-N 0 3 371.529 3.309 20 30 FGEDHN COc1cccc(F)c1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470971454 501877252 /nfs/dbraw/zinc/87/72/52/501877252.db2.gz YSYBRBVTMKNIMS-CJNGLKHVSA-N 0 3 351.381 3.266 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccccc2Cl)cc1 ZINC000471059581 501904817 /nfs/dbraw/zinc/90/48/17/501904817.db2.gz PXWCDUNJZKZBHU-INIZCTEOSA-N 0 3 353.809 3.089 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460802528 501924574 /nfs/dbraw/zinc/92/45/74/501924574.db2.gz CDCABYJIFMPVEK-IRXDYDNUSA-N 0 3 364.497 3.312 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ncc(C#N)cc1Cl ZINC000485818284 501949307 /nfs/dbraw/zinc/94/93/07/501949307.db2.gz LXNBSDLAXWJAFQ-UHFFFAOYSA-N 0 3 356.857 3.331 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000485853164 501962319 /nfs/dbraw/zinc/96/23/19/501962319.db2.gz ZJPQCVOYQMQKDK-CJNGLKHVSA-N 0 3 353.447 3.258 20 30 FGEDHN C[C@@H](COc1ccccc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000471300737 501983896 /nfs/dbraw/zinc/98/38/96/501983896.db2.gz LNOGEYYWGKEWFL-SFHVURJKSA-N 0 3 365.477 3.164 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000485928060 501989860 /nfs/dbraw/zinc/98/98/60/501989860.db2.gz CTACGYSXVMGBCT-PWRODBHTSA-N 0 3 356.510 3.338 20 30 FGEDHN N#CC1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CCCCC1 ZINC000596158291 506286967 /nfs/dbraw/zinc/28/69/67/506286967.db2.gz BLKSUMWFUFGBAV-UHFFFAOYSA-N 0 3 364.559 3.121 20 30 FGEDHN CN(C)C(=O)c1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464462729 501996959 /nfs/dbraw/zinc/99/69/59/501996959.db2.gz DCGRLYLPYXZXEY-CQSZACIVSA-N 0 3 361.323 3.292 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccc1-n1cncn1 ZINC000464470358 501998924 /nfs/dbraw/zinc/99/89/24/501998924.db2.gz VMUDLCFVYFVWET-AWEZNQCLSA-N 0 3 371.322 3.480 20 30 FGEDHN C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCC[C@@H](C)C1 ZINC000468251995 502006004 /nfs/dbraw/zinc/00/60/04/502006004.db2.gz LNBYHIRQHDRCNO-HUUCEWRRSA-N 0 3 352.438 3.063 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000478591357 502027327 /nfs/dbraw/zinc/02/73/27/502027327.db2.gz VTELLVVDNPTVDZ-IAGOWNOFSA-N 0 3 373.497 3.105 20 30 FGEDHN C=CCN(CCOC)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000482411730 502061098 /nfs/dbraw/zinc/06/10/98/502061098.db2.gz SYHHTCUQFKNLFX-GOSISDBHSA-N 0 3 370.415 3.102 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000475175507 502091499 /nfs/dbraw/zinc/09/14/99/502091499.db2.gz LTTYGBMKNXQIHB-UHFFFAOYSA-N 0 3 357.498 3.031 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](CCCCOC)c2ccccc2)CC1 ZINC000471806443 502142551 /nfs/dbraw/zinc/14/25/51/502142551.db2.gz YIRJGVRQHVKXNY-HXUWFJFHSA-N 0 3 359.514 3.494 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(CC)s2)CC1 ZINC000582560007 506295772 /nfs/dbraw/zinc/29/57/72/506295772.db2.gz LFVJESSCHPSODD-UHFFFAOYSA-N 0 3 357.317 3.453 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000482766517 502174611 /nfs/dbraw/zinc/17/46/11/502174611.db2.gz YHSVAOZRNUJEDT-UHFFFAOYSA-N 0 3 356.514 3.452 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 ZINC000471951387 502181599 /nfs/dbraw/zinc/18/15/99/502181599.db2.gz JQIJXWGPWZVSBB-QGZVFWFLSA-N 0 3 360.392 3.220 20 30 FGEDHN C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2cccn2)c1 ZINC000465413181 502255130 /nfs/dbraw/zinc/25/51/30/502255130.db2.gz RSFXTGKXRHYPDE-KKSFZXQISA-N 0 3 371.444 3.200 20 30 FGEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000461966693 502255963 /nfs/dbraw/zinc/25/59/63/502255963.db2.gz QINWLKTWYKPAJL-PMACEKPBSA-N 0 3 354.498 3.029 20 30 FGEDHN C[C@H](CO)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CCC1 ZINC000483148511 502292673 /nfs/dbraw/zinc/29/26/73/502292673.db2.gz WNCJZSMYKIKPSN-OAHLLOKOSA-N 0 3 363.889 3.070 20 30 FGEDHN Cc1sc2ncc(C(=O)C(C#N)c3nccc4ccccc43)c(=O)n2c1C ZINC000483189237 502307882 /nfs/dbraw/zinc/30/78/82/502307882.db2.gz BNPNIIVNRBURHJ-OAHLLOKOSA-N 0 3 374.425 3.411 20 30 FGEDHN CN1CCC[C@H](CNC(=O)NCC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000465565152 502309650 /nfs/dbraw/zinc/30/96/50/502309650.db2.gz JIYDLEPLCTYFSR-UYAOXDASSA-N 0 3 367.518 3.482 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462252873 502368773 /nfs/dbraw/zinc/36/87/73/502368773.db2.gz LOCATPMAZMKBRB-DLBZAZTESA-N 0 3 362.477 3.399 20 30 FGEDHN COc1ccccc1C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000472516352 502375657 /nfs/dbraw/zinc/37/56/57/502375657.db2.gz DOVAGRIYCMSRBO-IBGZPJMESA-N 0 3 373.456 3.487 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC/C=C/c2ccccc2)cc1 ZINC000483449288 502396959 /nfs/dbraw/zinc/39/69/59/502396959.db2.gz SJCDMFUUURFUMO-PXTSUWAFSA-N 0 3 369.446 3.207 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC/C=C\c2ccccc2)cc1 ZINC000483449286 502397079 /nfs/dbraw/zinc/39/70/79/502397079.db2.gz SJCDMFUUURFUMO-GTBONMDNSA-N 0 3 369.446 3.207 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000476197889 502410913 /nfs/dbraw/zinc/41/09/13/502410913.db2.gz IZQCRSFSLFXGIV-FQEVSTJZSA-N 0 3 367.493 3.224 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)CC(C)(C)C2)cc1 ZINC000483598359 502439093 /nfs/dbraw/zinc/43/90/93/502439093.db2.gz CISAMXQJBAKBHD-KGLIPLIRSA-N 0 3 363.483 3.272 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000462490512 502461508 /nfs/dbraw/zinc/46/15/08/502461508.db2.gz NXAMTDCGVRVHTI-KRWDZBQOSA-N 0 3 362.477 3.442 20 30 FGEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000483714372 502472208 /nfs/dbraw/zinc/47/22/08/502472208.db2.gz UYZKWSPIYXHYQU-YQQAZPJKSA-N 0 3 361.511 3.424 20 30 FGEDHN CC(C#N)C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000476557178 502523580 /nfs/dbraw/zinc/52/35/80/502523580.db2.gz YDQLJXCOBRIDJN-BLLLJJGKSA-N 0 3 358.239 3.404 20 30 FGEDHN N#Cc1ccc(NC(=O)NCCN2CCCCCC2)cc1Br ZINC000487840464 502544432 /nfs/dbraw/zinc/54/44/32/502544432.db2.gz QCSGFLLZYGEWOK-UHFFFAOYSA-N 0 3 365.275 3.318 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc3nc(C(F)(F)F)cn3c2)nc(C)n1 ZINC000473487521 502608250 /nfs/dbraw/zinc/60/82/50/502608250.db2.gz ARXIEJFNKXWXCQ-GFCCVEGCSA-N 0 3 359.311 3.250 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CCCCC2)cc1 ZINC000481071149 502747050 /nfs/dbraw/zinc/74/70/50/502747050.db2.gz HWRWHWNFLHHXJP-CQSZACIVSA-N 0 3 363.483 3.464 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)CC1 ZINC000488789907 502810369 /nfs/dbraw/zinc/81/03/69/502810369.db2.gz ATBGUKZORCECGN-KRWDZBQOSA-N 0 3 374.504 3.086 20 30 FGEDHN C=CCOc1cccc(CN[C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)c1 ZINC000513074840 502845623 /nfs/dbraw/zinc/84/56/23/502845623.db2.gz JDRAIEYJZAZLOY-KBPBESRZSA-N 0 3 374.510 3.418 20 30 FGEDHN C[C@H](C#N)CN(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509237086 502856793 /nfs/dbraw/zinc/85/67/93/502856793.db2.gz YCEPPTXMTANUKM-RHSMWYFYSA-N 0 3 353.388 3.059 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Br)o1)C(C)C ZINC000496013006 502870134 /nfs/dbraw/zinc/87/01/34/502870134.db2.gz GJMQORCFEBYGRH-CYBMUJFWSA-N 0 3 355.276 3.471 20 30 FGEDHN COCC1(C#N)CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 ZINC000497445488 502961074 /nfs/dbraw/zinc/96/10/74/502961074.db2.gz KGNHOMGYIJINBJ-QGZVFWFLSA-N 0 3 372.513 3.078 20 30 FGEDHN N#Cc1cccc(OCCCN[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000602904510 506344629 /nfs/dbraw/zinc/34/46/29/506344629.db2.gz VWAZPLYUYXTQBL-FQEVSTJZSA-N 0 3 351.450 3.216 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)N3CCc4ccccc4C3)CC2)nc1 ZINC000602908501 506345615 /nfs/dbraw/zinc/34/56/15/506345615.db2.gz TYMGPRPJBFUGAQ-UHFFFAOYSA-N 0 3 374.488 3.108 20 30 FGEDHN N#Cc1cccc(NC(=O)CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1 ZINC000513732447 503011622 /nfs/dbraw/zinc/01/16/22/503011622.db2.gz GBQIYKQNQPQGQY-RBUKOAKNSA-N 0 3 371.387 3.365 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000513918292 503048610 /nfs/dbraw/zinc/04/86/10/503048610.db2.gz IPCMVJCVMAFUPT-LJQANCHMSA-N 0 3 368.427 3.345 20 30 FGEDHN C=CCC(C)(C)CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000489976017 503079526 /nfs/dbraw/zinc/07/95/26/503079526.db2.gz FLPWQSCTAGMYLS-UHFFFAOYSA-N 0 3 354.498 3.444 20 30 FGEDHN CC(C#N)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000510389236 503104673 /nfs/dbraw/zinc/10/46/73/503104673.db2.gz OPEYWMKBYCOXAP-OAHLLOKOSA-N 0 3 369.415 3.358 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)C(C)C ZINC000498358838 503167207 /nfs/dbraw/zinc/16/72/07/503167207.db2.gz HXLALTJGGDUTTK-HXUWFJFHSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nnn(-c2ccccc2)c1C)C(C)C ZINC000498377336 503174168 /nfs/dbraw/zinc/17/41/68/503174168.db2.gz RBBXYSWDBYHCIK-LJQANCHMSA-N 0 3 367.497 3.004 20 30 FGEDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000502563423 503227027 /nfs/dbraw/zinc/22/70/27/503227027.db2.gz NZZOFHCLASFFIV-YVTWPNOASA-N 0 3 371.472 3.446 20 30 FGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2n[nH]cc2c1 ZINC000507214230 503251860 /nfs/dbraw/zinc/25/18/60/503251860.db2.gz QEMYCPQLGWURIA-VBKZILBWSA-N 0 3 359.433 3.281 20 30 FGEDHN C[C@H]1C[C@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000491205355 503286465 /nfs/dbraw/zinc/28/64/65/503286465.db2.gz NFKMUVQUDDMFGA-DLBZAZTESA-N 0 3 350.466 3.044 20 30 FGEDHN COc1ccc2c(c1)OC[C@@H](NCc1cccc(OCCCC#N)c1)C2 ZINC000503247116 503375940 /nfs/dbraw/zinc/37/59/40/503375940.db2.gz RBXOGGLCQRQVPW-SFHVURJKSA-N 0 3 352.434 3.471 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507848263 503379798 /nfs/dbraw/zinc/37/97/98/503379798.db2.gz UAGKXXWFCHSNRU-UHFFFAOYSA-N 0 3 374.444 3.302 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@@H](c2ccc(CC)cc2)N(C)C)nc1 ZINC000492888496 503391112 /nfs/dbraw/zinc/39/11/12/503391112.db2.gz DFISUSCGMRANAB-IBGZPJMESA-N 0 3 352.482 3.275 20 30 FGEDHN Cc1cc(CN(CCCC(C)(C)C#N)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593062170 506368557 /nfs/dbraw/zinc/36/85/57/506368557.db2.gz AXLFFBAMUFWIIU-UHFFFAOYSA-N 0 3 363.527 3.245 20 30 FGEDHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000503524377 503429210 /nfs/dbraw/zinc/42/92/10/503429210.db2.gz XRLZLUSFFGEIQW-YUGHPYOKSA-N 0 3 357.445 3.056 20 30 FGEDHN C=CCN1CC[C@@H](NCC2(c3ccc(OC)c(OC)c3)CCCCC2)C1=O ZINC000493692980 503439895 /nfs/dbraw/zinc/43/98/95/503439895.db2.gz VVQFZBCCLNYMQE-GOSISDBHSA-N 0 3 372.509 3.282 20 30 FGEDHN CCC[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CCN1CCOC ZINC000499653395 503450109 /nfs/dbraw/zinc/45/01/09/503450109.db2.gz AFEBMTNYBYTTCM-MRXNPFEDSA-N 0 3 374.435 3.322 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000499706249 503462619 /nfs/dbraw/zinc/46/26/19/503462619.db2.gz CSTNUWQAIGBDJY-AZUAARDMSA-N 0 3 357.498 3.342 20 30 FGEDHN N#Cc1ccccc1OCC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000508318725 503474028 /nfs/dbraw/zinc/47/40/28/503474028.db2.gz UTSWZVLTEAKEHF-UHFFFAOYSA-N 0 3 355.482 3.100 20 30 FGEDHN C=CCC[C@H](O)CN[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494211273 503503618 /nfs/dbraw/zinc/50/36/18/503503618.db2.gz FHHSGRUSWVGZAI-POZUXBRTSA-N 0 3 368.880 3.446 20 30 FGEDHN C=CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508490109 503504625 /nfs/dbraw/zinc/50/46/25/503504625.db2.gz ATTUBBMMNLLKEC-MRXNPFEDSA-N 0 3 355.461 3.335 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@]2(C)CCCO)c1 ZINC000512450846 503555812 /nfs/dbraw/zinc/55/58/12/503555812.db2.gz VVWJBLNKYPBYGM-NRFANRHFSA-N 0 3 357.498 3.177 20 30 FGEDHN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000516650786 503560103 /nfs/dbraw/zinc/56/01/03/503560103.db2.gz ULYCZWGKWHWDMB-QLFBSQMISA-N 0 3 371.451 3.126 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000516800901 503590047 /nfs/dbraw/zinc/59/00/47/503590047.db2.gz GBMKCAGTCGSLKS-UTKZUKDTSA-N 0 3 374.488 3.367 20 30 FGEDHN C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508954083 503607255 /nfs/dbraw/zinc/60/72/55/503607255.db2.gz WJSSFDIPHUZHCK-KRWDZBQOSA-N 0 3 355.486 3.406 20 30 FGEDHN C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512668880 503607968 /nfs/dbraw/zinc/60/79/68/503607968.db2.gz WZIJRBYJNMCFTH-DKZVUGQWSA-N 0 3 367.468 3.231 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000540053071 503652922 /nfs/dbraw/zinc/65/29/22/503652922.db2.gz OOOHDCQLSUNBDM-INIZCTEOSA-N 0 3 364.287 3.348 20 30 FGEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000517181856 503663836 /nfs/dbraw/zinc/66/38/36/503663836.db2.gz RKZFEQUQASXUMJ-UHFFFAOYSA-N 0 3 373.545 3.060 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CCN3C3CCCCC3)on2)c1 ZINC000529720059 503680679 /nfs/dbraw/zinc/68/06/79/503680679.db2.gz ZZEJHYMJOQAKHV-GOSISDBHSA-N 0 3 364.449 3.350 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000495218923 503702342 /nfs/dbraw/zinc/70/23/42/503702342.db2.gz BXUMREPSYRJTMO-LBPRGKRZSA-N 0 3 369.306 3.349 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC(=O)NCC)c1ccc(C(F)(F)F)cc1 ZINC000540430016 503768949 /nfs/dbraw/zinc/76/89/49/503768949.db2.gz PCNUDHBQIXHWHU-CQSZACIVSA-N 0 3 357.376 3.148 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000540444636 503773519 /nfs/dbraw/zinc/77/35/19/503773519.db2.gz BNMBJPSGPRWXMX-GOSISDBHSA-N 0 3 351.450 3.213 20 30 FGEDHN Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)NC1(C#N)CCC1 ZINC000527377482 503783670 /nfs/dbraw/zinc/78/36/70/503783670.db2.gz XYNIJLNJCYWKOG-KRWDZBQOSA-N 0 3 353.491 3.492 20 30 FGEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000537047439 503788686 /nfs/dbraw/zinc/78/86/86/503788686.db2.gz MDFZMWPZDAEIJV-IFMALSPDSA-N 0 3 370.541 3.008 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000533303651 503800993 /nfs/dbraw/zinc/80/09/93/503800993.db2.gz LKQSZPZQNQCSJE-NVXWUHKLSA-N 0 3 372.538 3.045 20 30 FGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000533426114 503841615 /nfs/dbraw/zinc/84/16/15/503841615.db2.gz XKIGFKSFAUTKNR-SFHVURJKSA-N 0 3 359.514 3.108 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000537296041 503871990 /nfs/dbraw/zinc/87/19/90/503871990.db2.gz QWWQLZSVUPSZIA-UHFFFAOYSA-N 0 3 371.488 3.498 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCOc2c(Cl)cccc21 ZINC000530231008 503883216 /nfs/dbraw/zinc/88/32/16/503883216.db2.gz LOYKUBQJKZOOEA-PBHICJAKSA-N 0 3 358.825 3.065 20 30 FGEDHN CC[C@@H](CNC(=O)N1CCC(CC#N)CC1)N1CCc2ccccc2C1 ZINC000543776082 503887525 /nfs/dbraw/zinc/88/75/25/503887525.db2.gz CXMKKAXJHZNYOR-FQEVSTJZSA-N 0 3 354.498 3.159 20 30 FGEDHN C=CCOc1cccc(NC(=O)NCC(C)(C)N2CCC(OC)CC2)c1 ZINC000518098405 503908473 /nfs/dbraw/zinc/90/84/73/503908473.db2.gz FKTOCHOEWXOWPJ-UHFFFAOYSA-N 0 3 361.486 3.262 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000543906157 503937443 /nfs/dbraw/zinc/93/74/43/503937443.db2.gz WXFXSBJAGAIREU-YYUOZPCZSA-N 0 3 361.492 3.037 20 30 FGEDHN C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000540976284 503961576 /nfs/dbraw/zinc/96/15/76/503961576.db2.gz LQKZMLZFKRETQX-KXBFYZLASA-N 0 3 372.513 3.398 20 30 FGEDHN CN(C[C@H](O)CNc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000518520353 504007992 /nfs/dbraw/zinc/00/79/92/504007992.db2.gz ITGAEIHRMCTYAP-HXUWFJFHSA-N 0 3 351.450 3.004 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000518640082 504035475 /nfs/dbraw/zinc/03/54/75/504035475.db2.gz MVQDRVUQOMNXCY-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H]2Cc2ccccc2)c(OC)c1 ZINC000530756687 504078133 /nfs/dbraw/zinc/07/81/33/504078133.db2.gz HIBIKGAPOZMCBH-LEWJYISDSA-N 0 3 367.489 3.480 20 30 FGEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000530856240 504109513 /nfs/dbraw/zinc/10/95/13/504109513.db2.gz LMRLRNYTGYQJCO-OXQOHEQNSA-N 0 3 351.450 3.098 20 30 FGEDHN Cc1nnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)o1 ZINC000544553514 504171847 /nfs/dbraw/zinc/17/18/47/504171847.db2.gz GPTVJJSKKZXGKB-OAHLLOKOSA-N 0 3 357.373 3.422 20 30 FGEDHN Cc1nnc(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)o1 ZINC000544553514 504171850 /nfs/dbraw/zinc/17/18/50/504171850.db2.gz GPTVJJSKKZXGKB-OAHLLOKOSA-N 0 3 357.373 3.422 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2C)CC1 ZINC000519270468 504178001 /nfs/dbraw/zinc/17/80/01/504178001.db2.gz OWRHEGSBJYBGKN-UHFFFAOYSA-N 0 3 352.482 3.259 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000528352296 504182775 /nfs/dbraw/zinc/18/27/75/504182775.db2.gz BWXFFVXDMXJXNA-UXHICEINSA-N 0 3 354.425 3.144 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000528511197 504254458 /nfs/dbraw/zinc/25/44/58/504254458.db2.gz DRYFBGBXROPYBP-MJGOQNOKSA-N 0 3 372.852 3.105 20 30 FGEDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CCc2ccc(F)cc21 ZINC000528533728 504263320 /nfs/dbraw/zinc/26/33/20/504263320.db2.gz NLUYWSYTXYKZJO-BEFAXECRSA-N 0 3 354.425 3.099 20 30 FGEDHN N#Cc1csc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000541885055 504289007 /nfs/dbraw/zinc/28/90/07/504289007.db2.gz RQJLAKRZLRANRP-OAHLLOKOSA-N 0 3 353.426 3.122 20 30 FGEDHN N#Cc1cccc(CC(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000531391924 504292280 /nfs/dbraw/zinc/29/22/80/504292280.db2.gz HJXKNZZKIJTHQG-UHFFFAOYSA-N 0 3 361.489 3.268 20 30 FGEDHN CSC1(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCN(C)CC1 ZINC000519694449 504306320 /nfs/dbraw/zinc/30/63/20/504306320.db2.gz PMYPQBPCDSFAJS-UHFFFAOYSA-N 0 3 363.531 3.064 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](C2CCOCC2)C1)C(C)C ZINC000535110182 504345479 /nfs/dbraw/zinc/34/54/79/504345479.db2.gz IRLFAIUUWHKPQG-UXHICEINSA-N 0 3 363.546 3.143 20 30 FGEDHN C=CCN(CCc1c(C)noc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000535205714 504372002 /nfs/dbraw/zinc/37/20/02/504372002.db2.gz IGMZBGTXJGOVDF-HNNXBMFYSA-N 0 3 352.442 3.059 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000538855295 504393808 /nfs/dbraw/zinc/39/38/08/504393808.db2.gz ZZWMVQUUFDGNON-UHFFFAOYSA-N 0 3 359.489 3.488 20 30 FGEDHN CC(C)c1ccc(OC2CCN(CCC(=O)N(C)CCC#N)CC2)cc1 ZINC000538912589 504414133 /nfs/dbraw/zinc/41/41/33/504414133.db2.gz UZEIHFXDMPWXTB-UHFFFAOYSA-N 0 3 357.498 3.415 20 30 FGEDHN COc1cc(C)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000548361130 504417286 /nfs/dbraw/zinc/41/72/86/504417286.db2.gz CFGZBPDPYKRKOP-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn(C2CC2)c1 ZINC000528918367 504450302 /nfs/dbraw/zinc/45/03/02/504450302.db2.gz JOXAFYRWLXPWCG-GFCCVEGCSA-N 0 3 363.204 3.486 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)CC1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000520352399 504475546 /nfs/dbraw/zinc/47/55/46/504475546.db2.gz YQTYAJLNMBXLMW-SFHVURJKSA-N 0 3 353.510 3.482 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC000529081931 504524938 /nfs/dbraw/zinc/52/49/38/504524938.db2.gz NLRPAMVUWYAFDB-LSDHHAIUSA-N 0 3 361.467 3.240 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(N2CCc3ccccc32)CC1 ZINC000548798521 504570970 /nfs/dbraw/zinc/57/09/70/504570970.db2.gz CAIJDLRRHRAKMM-UHFFFAOYSA-N 0 3 374.488 3.414 20 30 FGEDHN Cc1cc(C)c(CCNCCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000548908443 504614528 /nfs/dbraw/zinc/61/45/28/504614528.db2.gz UIEHTSXWFJHIMZ-UHFFFAOYSA-N 0 3 356.491 3.090 20 30 FGEDHN Cc1[nH]nc2ncc(CN[C@H]3CCCN(c4ccc(C#N)cc4F)C3)cc12 ZINC000520992163 504624975 /nfs/dbraw/zinc/62/49/75/504624975.db2.gz YRQAMMBUXBVYFN-INIZCTEOSA-N 0 3 364.428 3.036 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000521058284 504639220 /nfs/dbraw/zinc/63/92/20/504639220.db2.gz GAAIMCSVTSHJPT-RDTXWAMCSA-N 0 3 352.413 3.482 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)CC1 ZINC000536136116 504644505 /nfs/dbraw/zinc/64/45/05/504644505.db2.gz PKFFKSRGYFAZHI-CGTJXYLNSA-N 0 3 351.535 3.166 20 30 FGEDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000521114417 504653295 /nfs/dbraw/zinc/65/32/95/504653295.db2.gz BJVPGZZKSBVETJ-DLBZAZTESA-N 0 3 361.873 3.478 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1OC)C(C)C ZINC000545999145 504668582 /nfs/dbraw/zinc/66/85/82/504668582.db2.gz JKCCVLAPAOHPOK-SFHVURJKSA-N 0 3 356.470 3.387 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000546002602 504670615 /nfs/dbraw/zinc/67/06/15/504670615.db2.gz MDNPKFBZKAMISS-DNVCBOLYSA-N 0 3 364.449 3.209 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCC1(C#N)CC1 ZINC000562390536 504804407 /nfs/dbraw/zinc/80/44/07/504804407.db2.gz URNZGXOBHYFCMF-GOSISDBHSA-N 0 3 354.498 3.062 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000553025790 504807949 /nfs/dbraw/zinc/80/79/49/504807949.db2.gz OALDVOHFYDHTLQ-BEFAXECRSA-N 0 3 372.465 3.458 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C#N)cn2)CC1 ZINC000559290144 504822029 /nfs/dbraw/zinc/82/20/29/504822029.db2.gz KBJJVCYHRQMPLF-MRXNPFEDSA-N 0 3 367.472 3.085 20 30 FGEDHN N#Cc1csc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000559359498 504846835 /nfs/dbraw/zinc/84/68/35/504846835.db2.gz RBYCYXCVTRDPSW-UHFFFAOYSA-N 0 3 354.884 3.227 20 30 FGEDHN N#Cc1cccc(OCCN2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000556533099 504898539 /nfs/dbraw/zinc/89/85/39/504898539.db2.gz DFWDEUZKCPFSCD-UHFFFAOYSA-N 0 3 357.404 3.428 20 30 FGEDHN Cc1ccc([C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000553427880 504911748 /nfs/dbraw/zinc/91/17/48/504911748.db2.gz QWDWNPRTQUMROH-FQEVSTJZSA-N 0 3 354.475 3.381 20 30 FGEDHN N#Cc1ccc2c(c1)N(C(=O)CCCN1CCN(c3ccccc3)CC1)CC2 ZINC000550154641 504979387 /nfs/dbraw/zinc/97/93/87/504979387.db2.gz ODUIBOHMHUFSMW-UHFFFAOYSA-N 0 3 374.488 3.050 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000565850744 505006247 /nfs/dbraw/zinc/00/62/47/505006247.db2.gz HCMJQMXYJAQUQW-LEWJYISDSA-N 0 3 365.477 3.496 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000553783832 505008760 /nfs/dbraw/zinc/00/87/60/505008760.db2.gz UBYDFCMLMVMUGU-TXPKVOOTSA-N 0 3 358.482 3.062 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000553815030 505017562 /nfs/dbraw/zinc/01/75/62/505017562.db2.gz QXLFMACFXFRQNU-NSLUBLRVSA-N 0 3 361.511 3.085 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000553815029 505017909 /nfs/dbraw/zinc/01/79/09/505017909.db2.gz QXLFMACFXFRQNU-LZJQFABFSA-N 0 3 361.511 3.085 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000566033219 505060076 /nfs/dbraw/zinc/06/00/76/505060076.db2.gz MAQSNQNZXYFDDZ-MAUKXSAKSA-N 0 3 364.449 3.351 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000566037847 505061632 /nfs/dbraw/zinc/06/16/32/505061632.db2.gz RZYAZOQVLYOCAG-GOSISDBHSA-N 0 3 367.497 3.024 20 30 FGEDHN COc1ccc([C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C2CC2)cc1 ZINC000563220103 505079584 /nfs/dbraw/zinc/07/95/84/505079584.db2.gz NHEKEUPWNZHSKG-QZTJIDSGSA-N 0 3 367.474 3.475 20 30 FGEDHN COc1ccc([C@@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C2CC2)cc1 ZINC000563220104 505079792 /nfs/dbraw/zinc/07/97/92/505079792.db2.gz NHEKEUPWNZHSKG-ROUUACIJSA-N 0 3 367.474 3.475 20 30 FGEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000554310138 505141737 /nfs/dbraw/zinc/14/17/37/505141737.db2.gz AMDOZUOALGWSLK-CQSZACIVSA-N 0 3 356.445 3.247 20 30 FGEDHN CN(C)C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000563472445 505150353 /nfs/dbraw/zinc/15/03/53/505150353.db2.gz MMBBRQRDCZTPTN-GOSISDBHSA-N 0 3 357.454 3.209 20 30 FGEDHN C=CCn1cccc1C(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000557646975 505192703 /nfs/dbraw/zinc/19/27/03/505192703.db2.gz MTOLSHZXJDUDRY-QGZVFWFLSA-N 0 3 367.497 3.013 20 30 FGEDHN Cc1sc(NC(=O)CN2CCN(C)C3(CCCCC3)C2)c(C#N)c1C ZINC000563633064 505197806 /nfs/dbraw/zinc/19/78/06/505197806.db2.gz YBIHLMJLVDOSKQ-UHFFFAOYSA-N 0 3 360.527 3.125 20 30 FGEDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)cc1OC ZINC000551417338 505221158 /nfs/dbraw/zinc/22/11/58/505221158.db2.gz AJSWTPQOHYWYBD-BEFAXECRSA-N 0 3 352.434 3.077 20 30 FGEDHN N#Cc1cccnc1OC1CCC([NH2+][C@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000566761413 505265310 /nfs/dbraw/zinc/26/53/10/505265310.db2.gz MLGVFYGZGXIMBK-ACBHZAAOSA-N 0 3 374.448 3.141 20 30 FGEDHN N#Cc1cccnc1OC1CCC(N[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000566761413 505265314 /nfs/dbraw/zinc/26/53/14/505265314.db2.gz MLGVFYGZGXIMBK-ACBHZAAOSA-N 0 3 374.448 3.141 20 30 FGEDHN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000554934924 505302792 /nfs/dbraw/zinc/30/27/92/505302792.db2.gz BQQVNNUTEPQBPZ-MRXNPFEDSA-N 0 3 362.481 3.285 20 30 FGEDHN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C[C@@H](O)CN(C)C1CC1 ZINC000558460108 505396181 /nfs/dbraw/zinc/39/61/81/505396181.db2.gz YHFVXAFHGVLHML-NRFANRHFSA-N 0 3 367.468 3.468 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC2CC2)CC1 ZINC000555286170 505399439 /nfs/dbraw/zinc/39/94/39/505399439.db2.gz XBVYKNVJBPMSHY-UHFFFAOYSA-N 0 3 365.525 3.285 20 30 FGEDHN C[C@@H]1CCc2ccc(Br)cc2[C@H](NCCn2cnc(C#N)n2)C1 ZINC000552099542 505399784 /nfs/dbraw/zinc/39/97/84/505399784.db2.gz MAQMFKYSTBNDMC-MLGOLLRUSA-N 0 3 374.286 3.216 20 30 FGEDHN COC[C@@]1(CN[C@H](C)c2ccc(C#N)c(F)c2)OCCc2ccccc21 ZINC000564379155 505400398 /nfs/dbraw/zinc/40/03/98/505400398.db2.gz KSYVRBYBYIGOGB-QVKFZJNVSA-N 0 3 354.425 3.463 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCCOc2cccc3ccccc32)cc1 ZINC000558733371 505477382 /nfs/dbraw/zinc/47/73/82/505477382.db2.gz FMRVIZMJENKPLU-LJQANCHMSA-N 0 3 362.429 3.120 20 30 FGEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000561974042 505482376 /nfs/dbraw/zinc/48/23/76/505482376.db2.gz MDQPNJUELQCLOB-SFHVURJKSA-N 0 3 373.497 3.258 20 30 FGEDHN CN1CCN(Cc2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000564690311 505492551 /nfs/dbraw/zinc/49/25/51/505492551.db2.gz SWIGGPUZANCNAY-HSZRJFAPSA-N 0 3 360.505 3.083 20 30 FGEDHN Cc1cccc(C(NC[C@H](O)CN(C)CCC#N)c2cccc(C)c2)c1 ZINC000567605174 505511534 /nfs/dbraw/zinc/51/15/34/505511534.db2.gz GSNHORBAWZXLMD-NRFANRHFSA-N 0 3 351.494 3.189 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)c1cc(C#N)ccn1)c1ccc(Cl)cc1 ZINC000552682840 505534047 /nfs/dbraw/zinc/53/40/47/505534047.db2.gz VVCOMRFBAJYCTH-SFHVURJKSA-N 0 3 356.857 3.420 20 30 FGEDHN CC(C)c1ccccc1OCCNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000567691719 505538658 /nfs/dbraw/zinc/53/86/58/505538658.db2.gz DCLHULWNQKJUFK-GOSISDBHSA-N 0 3 354.450 3.090 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(CC2CC2)CC1 ZINC000558990075 505546952 /nfs/dbraw/zinc/54/69/52/505546952.db2.gz JVIHDMLXONNUSW-UHFFFAOYSA-N 0 3 351.498 3.362 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564962063 505563540 /nfs/dbraw/zinc/56/35/40/505563540.db2.gz AUHOXFOHUNXUBF-MJGOQNOKSA-N 0 3 359.539 3.392 20 30 FGEDHN N#CCCC1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000565017636 505568131 /nfs/dbraw/zinc/56/81/31/505568131.db2.gz CEWKPXNGCHZODE-UHFFFAOYSA-N 0 3 368.525 3.131 20 30 FGEDHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599259046 506387533 /nfs/dbraw/zinc/38/75/33/506387533.db2.gz JQLWNRYKRMAAHO-OAHLLOKOSA-N 0 3 356.388 3.209 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCN1CCCCC1 ZINC000593112977 506399890 /nfs/dbraw/zinc/39/98/90/506399890.db2.gz UCURTMUCZKCNJP-QGZVFWFLSA-N 0 3 374.554 3.437 20 30 FGEDHN Cc1ccc([C@@H]2CSCCN2C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599294742 506400255 /nfs/dbraw/zinc/40/02/55/506400255.db2.gz NADZWBWANMLZOG-OALUTQOASA-N 0 3 360.523 3.156 20 30 FGEDHN C=C(C)[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599367168 506428304 /nfs/dbraw/zinc/42/83/04/506428304.db2.gz BQBDMJHCNJXHMK-QAPCUYQASA-N 0 3 350.409 3.243 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000612117119 506445533 /nfs/dbraw/zinc/44/55/33/506445533.db2.gz ZKWMDMUXDSOVPD-IBGZPJMESA-N 0 3 360.527 3.295 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)c3ncc(C#N)cc3[N+](=O)[O-])C2)s1 ZINC000603400109 506503026 /nfs/dbraw/zinc/50/30/26/506503026.db2.gz KAXVXKDFGUZHNH-AWEZNQCLSA-N 0 3 371.466 3.190 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000612303356 506519245 /nfs/dbraw/zinc/51/92/45/506519245.db2.gz AQIFSJCFIUNVLP-HXUWFJFHSA-N 0 3 372.538 3.435 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC1CCN(CCc3ccccc3)CC1)C2 ZINC000593302914 506525466 /nfs/dbraw/zinc/52/54/66/506525466.db2.gz XFONJYXODLAJLA-UHFFFAOYSA-N 0 3 374.488 3.291 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000589350441 506525907 /nfs/dbraw/zinc/52/59/07/506525907.db2.gz WLWYPUBJPBQVFS-GOSISDBHSA-N 0 3 352.413 3.436 20 30 FGEDHN C=CCC1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000599610800 506529042 /nfs/dbraw/zinc/52/90/42/506529042.db2.gz UREHTIMVDVVUDL-UHFFFAOYSA-N 0 3 352.456 3.237 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000599662094 506563286 /nfs/dbraw/zinc/56/32/86/506563286.db2.gz YGIROEYALSMKFA-NRFANRHFSA-N 0 3 365.477 3.356 20 30 FGEDHN N#CCc1cccc2c1CCN(Cc1cccc(CN3CCOCC3)c1)C2 ZINC000599676920 506572610 /nfs/dbraw/zinc/57/26/10/506572610.db2.gz CSAMOCOTVPPYGU-UHFFFAOYSA-N 0 3 361.489 3.143 20 30 FGEDHN N#CCc1cccc2c1CCN(C[C@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000599679403 506575516 /nfs/dbraw/zinc/57/55/16/506575516.db2.gz ZQYFODAZANBMEX-GOSISDBHSA-N 0 3 359.473 3.273 20 30 FGEDHN COc1ccc([C@@H](NCCC(=O)Nc2ccc(C#N)cc2)C2CC2)cn1 ZINC000599696688 506587233 /nfs/dbraw/zinc/58/72/33/506587233.db2.gz FGLZYBDODIDIPL-FQEVSTJZSA-N 0 3 350.422 3.031 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(CCCn2ccnc2)CC1 ZINC000583104724 506591480 /nfs/dbraw/zinc/59/14/80/506591480.db2.gz CPWVXFWVASFSAW-UHFFFAOYSA-N 0 3 371.510 3.337 20 30 FGEDHN N#CCc1cccc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000589585010 506591664 /nfs/dbraw/zinc/59/16/64/506591664.db2.gz AEVDAUUXUKNTJW-UHFFFAOYSA-N 0 3 369.490 3.192 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)NCC2(C#N)CCCC2)CCC1 ZINC000593412107 506606458 /nfs/dbraw/zinc/60/64/58/506606458.db2.gz UMMFNYVMIZUKIF-UHFFFAOYSA-N 0 3 354.498 3.424 20 30 FGEDHN N#Cc1cccc(CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000583161128 506622896 /nfs/dbraw/zinc/62/28/96/506622896.db2.gz IWWFNSINERVNCM-NRFANRHFSA-N 0 3 362.477 3.237 20 30 FGEDHN COc1cc(NC(=O)NC[C@H]2CCN2C2CCCCC2)c(F)cc1C#N ZINC000599811705 506650385 /nfs/dbraw/zinc/65/03/85/506650385.db2.gz VAFJOFGJQPARLF-OAHLLOKOSA-N 0 3 360.433 3.234 20 30 FGEDHN COc1cc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c(F)cc1C#N ZINC000599813893 506652076 /nfs/dbraw/zinc/65/20/76/506652076.db2.gz SFHLPIBCIFQPCC-APWZRJJASA-N 0 3 368.412 3.273 20 30 FGEDHN COc1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c(F)cc1C#N ZINC000599817400 506653414 /nfs/dbraw/zinc/65/34/14/506653414.db2.gz MHKTWVFJJUJOEV-SFHVURJKSA-N 0 3 370.428 3.439 20 30 FGEDHN CN1CCC(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000589831865 506655850 /nfs/dbraw/zinc/65/58/50/506655850.db2.gz QUNWORDXNBHSCN-UHFFFAOYSA-N 0 3 350.422 3.416 20 30 FGEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000596892258 506660243 /nfs/dbraw/zinc/66/02/43/506660243.db2.gz CEGLSUCPIFCXDW-ZDUSSCGKSA-N 0 3 356.348 3.063 20 30 FGEDHN CC[C@@H](C#N)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000593542214 506678062 /nfs/dbraw/zinc/67/80/62/506678062.db2.gz WBPLSTCAFGNKFN-ROUUACIJSA-N 0 3 351.454 3.127 20 30 FGEDHN C[C@H](CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)N1CCCCC1 ZINC000593574714 506689909 /nfs/dbraw/zinc/68/99/09/506689909.db2.gz FVIFWYSUIJZKEN-MRXNPFEDSA-N 0 3 363.527 3.031 20 30 FGEDHN CCOC(=O)C[C@H](NC(=O)C(C#N)CC)c1cccc(Br)c1 ZINC000593599181 506698258 /nfs/dbraw/zinc/69/82/58/506698258.db2.gz TYVPMMVGDGXRRW-RISCZKNCSA-N 0 3 367.243 3.109 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](C#N)CCC#N ZINC000608866774 506730736 /nfs/dbraw/zinc/73/07/36/506730736.db2.gz TZRKWDWZRPTLQP-MRXNPFEDSA-N 0 3 358.515 3.028 20 30 FGEDHN N#Cc1cccc(CCNCc2c(Cl)cccc2N2CCOCC2)c1 ZINC000590190637 506761220 /nfs/dbraw/zinc/76/12/20/506761220.db2.gz RIKSDTCLUUTZIU-UHFFFAOYSA-N 0 3 355.869 3.381 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](c3cccnc3)C1)CCC2 ZINC000583497770 506811803 /nfs/dbraw/zinc/81/18/03/506811803.db2.gz HKCJSIMASDOAGR-HNNXBMFYSA-N 0 3 366.490 3.322 20 30 FGEDHN C=CCN(CCC#N)C(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000590408719 506814061 /nfs/dbraw/zinc/81/40/61/506814061.db2.gz BQHIXFLIHBYVJT-GOSISDBHSA-N 0 3 355.482 3.482 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc(C#N)cc1F)C(C)C ZINC000609252636 506826545 /nfs/dbraw/zinc/82/65/45/506826545.db2.gz DMVRUXMVAXBVPU-LJQANCHMSA-N 0 3 358.461 3.195 20 30 FGEDHN COCC1(C2CCC2)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000597197427 506830907 /nfs/dbraw/zinc/83/09/07/506830907.db2.gz XGTROGYASBZYNF-UHFFFAOYSA-N 0 3 350.466 3.207 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2ccc(C#N)nc2)N(CC)CC)cc1 ZINC000590470909 506833198 /nfs/dbraw/zinc/83/31/98/506833198.db2.gz RNMCDJQCPYDAIC-FQEVSTJZSA-N 0 3 350.466 3.329 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1OCc2ccccc21 ZINC000593972403 506858125 /nfs/dbraw/zinc/85/81/25/506858125.db2.gz BZGPXLIXCMSQDC-OAQYLSRUSA-N 0 3 363.461 3.110 20 30 FGEDHN Cc1cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)n(C2CCN(C)CC2)n1 ZINC000593994065 506872090 /nfs/dbraw/zinc/87/20/90/506872090.db2.gz PKEACGWMBYRGJB-OAHLLOKOSA-N 0 3 365.481 3.147 20 30 FGEDHN CC1(C)CN(C2(CNC(=O)Cc3ccc(C#N)cc3)CCCCC2)CCO1 ZINC000609409049 506875809 /nfs/dbraw/zinc/87/58/09/506875809.db2.gz OAQGFYJRDHJMKH-UHFFFAOYSA-N 0 3 369.509 3.031 20 30 FGEDHN C=CCN(CCOc1ccc(C#N)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431524 506879869 /nfs/dbraw/zinc/87/98/69/506879869.db2.gz BWDRRJJEMHPQLH-QGZVFWFLSA-N 0 3 374.448 3.162 20 30 FGEDHN Cc1ccccc1CN1CCCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000590685430 506908358 /nfs/dbraw/zinc/90/83/58/506908358.db2.gz XRAOLTGAFNWFGX-UHFFFAOYSA-N 0 3 362.477 3.047 20 30 FGEDHN CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000597426241 506946407 /nfs/dbraw/zinc/94/64/07/506946407.db2.gz IPIFMEFIVLFBRM-UHFFFAOYSA-N 0 3 364.497 3.147 20 30 FGEDHN CC[C@@H](C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000597426632 506948067 /nfs/dbraw/zinc/94/80/67/506948067.db2.gz LCGAHSWOPBENIP-MRXNPFEDSA-N 0 3 364.497 3.147 20 30 FGEDHN Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c(C#N)cc1N(C)C ZINC000594113832 506948215 /nfs/dbraw/zinc/94/82/15/506948215.db2.gz STIPYVYUHXQBRV-AEFFLSMTSA-N 0 3 355.486 3.071 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000613254430 506994913 /nfs/dbraw/zinc/99/49/13/506994913.db2.gz KYSAHKJYZKDQNI-XNRPHZJLSA-N 0 3 351.372 3.483 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(F)c(C#N)c(F)c2)c1 ZINC000597559150 507008640 /nfs/dbraw/zinc/00/86/40/507008640.db2.gz UEVLQXRVHWPPGW-UHFFFAOYSA-N 0 3 373.403 3.049 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594216779 507017011 /nfs/dbraw/zinc/01/70/11/507017011.db2.gz NEWZBEGVSMFXJO-IIBYNOLFSA-N 0 3 360.461 3.419 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594283401 507062020 /nfs/dbraw/zinc/06/20/20/507062020.db2.gz HVANVPMVYMOGFD-WOJBJXKFSA-N 0 3 354.498 3.495 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)CC1 ZINC000605055623 507063253 /nfs/dbraw/zinc/06/32/53/507063253.db2.gz DYHIXZUIKMXESR-LJQANCHMSA-N 0 3 374.504 3.053 20 30 FGEDHN Cc1nsc(NC(=O)N2CCCN(Cc3ccccc3C)CC2)c1C#N ZINC000590965539 507064418 /nfs/dbraw/zinc/06/44/18/507064418.db2.gz JMVOWGVHWUYWBB-UHFFFAOYSA-N 0 3 369.494 3.371 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000609997447 507065582 /nfs/dbraw/zinc/06/55/82/507065582.db2.gz PQZKHUITTGFCCF-NRFANRHFSA-N 0 3 366.509 3.004 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCSc2c(F)cccc21 ZINC000600716999 507080574 /nfs/dbraw/zinc/08/05/74/507080574.db2.gz IESPLLUYETYSGB-WMLDXEAASA-N 0 3 358.438 3.264 20 30 FGEDHN C[C@@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1ccc(Cl)cc1 ZINC000600726845 507084442 /nfs/dbraw/zinc/08/44/42/507084442.db2.gz HKEFAVLIZZNEJC-WMLDXEAASA-N 0 3 360.841 3.008 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2ccc(OC3CCCC3)cc2)CCOCC1 ZINC000600725987 507085527 /nfs/dbraw/zinc/08/55/27/507085527.db2.gz ZOTFOKJUQXNDPO-SFHVURJKSA-N 0 3 358.482 3.169 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCCc3c(F)cc(F)cc32)CCOCC1 ZINC000600738562 507092260 /nfs/dbraw/zinc/09/22/60/507092260.db2.gz JNQUNYYNAGVFFE-RDTXWAMCSA-N 0 3 350.409 3.003 20 30 FGEDHN COc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1OCCN(C)C ZINC000597786879 507101590 /nfs/dbraw/zinc/10/15/90/507101590.db2.gz VPPHRWBVZWADDK-UHFFFAOYSA-N 0 3 359.470 3.438 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1csc(C(F)(F)F)c1 ZINC000600761465 507105883 /nfs/dbraw/zinc/10/58/83/507105883.db2.gz ZNCSAQCIYUENFU-CYBMUJFWSA-N 0 3 356.369 3.168 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000594443720 507135772 /nfs/dbraw/zinc/13/57/72/507135772.db2.gz SMNSUVUEZQXZEE-HOTGVXAUSA-N 0 3 369.387 3.017 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCCCc1ccc(Br)cc1F ZINC000594447858 507138911 /nfs/dbraw/zinc/13/89/11/507138911.db2.gz WDJARNFEHFDHOM-OAHLLOKOSA-N 0 3 370.266 3.048 20 30 FGEDHN CC(C)c1cc(NC(=O)[C@@H](N)CCCCC#N)n(Cc2ccccc2)n1 ZINC000594456787 507140567 /nfs/dbraw/zinc/14/05/67/507140567.db2.gz RPAIMOPUOJJZJL-KRWDZBQOSA-N 0 3 353.470 3.405 20 30 FGEDHN CC(C)(C#N)c1ccc(CNC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000594502280 507157128 /nfs/dbraw/zinc/15/71/28/507157128.db2.gz XKIBRYUQLPVZHP-KRWDZBQOSA-N 0 3 353.441 3.061 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000584151518 507180114 /nfs/dbraw/zinc/18/01/14/507180114.db2.gz YEOZETWVKFRQSM-FZDIXFNVSA-N 0 3 373.472 3.254 20 30 FGEDHN COC(=O)c1ccc(NC[C@H]2CCCN(Cc3ccccc3)C2)c(C#N)n1 ZINC000594547390 507180246 /nfs/dbraw/zinc/18/02/46/507180246.db2.gz LCAVQAKNBZYEEP-QGZVFWFLSA-N 0 3 364.449 3.064 20 30 FGEDHN COC(=O)c1cc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)c(C)o1 ZINC000594605005 507206553 /nfs/dbraw/zinc/20/65/53/507206553.db2.gz CZPAFUKQARCSII-UHFFFAOYSA-N 0 3 369.421 3.121 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433545 507237035 /nfs/dbraw/zinc/23/70/35/507237035.db2.gz QYFPGGXSBRJDGJ-HXUWFJFHSA-N 0 3 365.477 3.152 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000591407601 507239775 /nfs/dbraw/zinc/23/97/75/507239775.db2.gz VPGTVOLZTJRSGH-UYAOXDASSA-N 0 3 352.482 3.205 20 30 FGEDHN Cc1cccc(C)c1OC[C@@H](O)CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594919029 507314076 /nfs/dbraw/zinc/31/40/76/507314076.db2.gz VTZHGEWVEPHODT-FQEVSTJZSA-N 0 3 350.462 3.388 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601263179 507315457 /nfs/dbraw/zinc/31/54/57/507315457.db2.gz FJHNTCPLPPPDLG-IBGZPJMESA-N 0 3 351.494 3.441 20 30 FGEDHN CN1CCN(Cc2ccc(CNCc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000594925500 507318147 /nfs/dbraw/zinc/31/81/47/507318147.db2.gz NEDSVHGOGBBLCG-UHFFFAOYSA-N 0 3 374.532 3.279 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000591733942 507343120 /nfs/dbraw/zinc/34/31/20/507343120.db2.gz OUFPDYKFYQVGJB-MRXNPFEDSA-N 0 3 352.331 3.409 20 30 FGEDHN CO[C@@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000591754171 507347725 /nfs/dbraw/zinc/34/77/25/507347725.db2.gz GUOQJINOTIPYCT-UZLBHIALSA-N 0 3 374.868 3.123 20 30 FGEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2ncc3c(c2C#N)CCC3)C1 ZINC000591823984 507380597 /nfs/dbraw/zinc/38/05/97/507380597.db2.gz YHMGHWXFWJRYNM-HNNXBMFYSA-N 0 3 367.522 3.165 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000584518630 507389587 /nfs/dbraw/zinc/38/95/87/507389587.db2.gz UMIOJJMRKATKEU-IFMALSPDSA-N 0 3 374.488 3.359 20 30 FGEDHN CN1CCC(n2cc(NC(=O)C[C@H](CC#N)c3ccccc3)cn2)CC1 ZINC000601782256 507455583 /nfs/dbraw/zinc/45/55/83/507455583.db2.gz YFKOTLNMYACXFF-KRWDZBQOSA-N 0 3 351.454 3.176 20 30 FGEDHN CN1CCC(n2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)cn2)CC1 ZINC000601782257 507455804 /nfs/dbraw/zinc/45/58/04/507455804.db2.gz YFKOTLNMYACXFF-QGZVFWFLSA-N 0 3 351.454 3.176 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000592040448 507462655 /nfs/dbraw/zinc/46/26/55/507462655.db2.gz MFXNEFAIBLWBJG-NRFANRHFSA-N 0 3 362.477 3.169 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2([C@H]3CCCCO3)CCC2)cc1 ZINC000601856252 507490521 /nfs/dbraw/zinc/49/05/21/507490521.db2.gz ZYWYMYDHWAXDOI-RBUKOAKNSA-N 0 3 351.450 3.096 20 30 FGEDHN CC(C)[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN1 ZINC000598573021 507495969 /nfs/dbraw/zinc/49/59/69/507495969.db2.gz NWEHZQGLSGRCIW-NRFANRHFSA-N 0 3 363.461 3.207 20 30 FGEDHN Cc1ccc(CCCNCCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000611080718 507507325 /nfs/dbraw/zinc/50/73/25/507507325.db2.gz PNMZVLDEIAAUHB-UHFFFAOYSA-N 0 3 356.491 3.171 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000598594843 507509798 /nfs/dbraw/zinc/50/97/98/507509798.db2.gz FBMVIBRNQLMRAG-DOTOQJQBSA-N 0 3 372.444 3.356 20 30 FGEDHN COc1cc(C#N)cc(Cl)c1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000611112867 507520410 /nfs/dbraw/zinc/52/04/10/507520410.db2.gz FTHWNBJJEWXEMG-MRXNPFEDSA-N 0 3 360.841 3.092 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592181923 507526621 /nfs/dbraw/zinc/52/66/21/507526621.db2.gz JJELCKLRQKQOHO-SJORKVTESA-N 0 3 373.472 3.352 20 30 FGEDHN N#Cc1ccc(O[C@@H]2CCN(CCc3nsc4ccccc34)C2)nc1 ZINC000595500019 507532691 /nfs/dbraw/zinc/53/26/91/507532691.db2.gz BPUNMQIZEJEQBI-OAHLLOKOSA-N 0 3 350.447 3.259 20 30 FGEDHN C[C@@]1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCCN1Cc1ccccc1 ZINC000614493386 507541640 /nfs/dbraw/zinc/54/16/40/507541640.db2.gz ACHYOHXZXMFAKY-SFTDATJTSA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1ccc(CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC000595557397 507559296 /nfs/dbraw/zinc/55/92/96/507559296.db2.gz IEOYNNUCTLSJJL-DHIUTWEWSA-N 0 3 361.489 3.076 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000611225358 507569135 /nfs/dbraw/zinc/56/91/35/507569135.db2.gz KQSSNCKRBRBXEU-HUUCEWRRSA-N 0 3 374.554 3.242 20 30 FGEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000595609786 507588193 /nfs/dbraw/zinc/58/81/93/507588193.db2.gz PAGJXIUDEHMURA-CQSZACIVSA-N 0 3 356.495 3.453 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@@H](CC#N)C1 ZINC000595615684 507593599 /nfs/dbraw/zinc/59/35/99/507593599.db2.gz MNWWWNDQBJMBBO-SFHVURJKSA-N 0 3 365.481 3.443 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCCc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000595685904 507627571 /nfs/dbraw/zinc/62/75/71/507627571.db2.gz KDEJMZOGYGAAIY-UWJYYQICSA-N 0 3 362.477 3.063 20 30 FGEDHN CNC(=O)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)Cc1ccc(F)cc1C ZINC000592391674 507635497 /nfs/dbraw/zinc/63/54/97/507635497.db2.gz XKTVBQBTRXUJAU-WIYYLYMNSA-N 0 3 365.452 3.188 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccnc(C#N)c2)CC1 ZINC000611385439 507655684 /nfs/dbraw/zinc/65/56/84/507655684.db2.gz JQJKKLYWJVVFLD-INIZCTEOSA-N 0 3 367.472 3.085 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000586806714 507679687 /nfs/dbraw/zinc/67/96/87/507679687.db2.gz GRMMYIXMCDBXOB-HKUYNNGSSA-N 0 3 361.436 3.296 20 30 FGEDHN CC(C)CN(CCc1ccc(F)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000592497900 507679809 /nfs/dbraw/zinc/67/98/09/507679809.db2.gz IHNZMMOAYZULKT-UHFFFAOYSA-N 0 3 351.429 3.441 20 30 FGEDHN N#Cc1cnn2cc(CN[C@@H]3CCCN(c4ccccc4Cl)C3)cnc12 ZINC000592504896 507684063 /nfs/dbraw/zinc/68/40/63/507684063.db2.gz CVIWGNYTLDIOIP-MRXNPFEDSA-N 0 3 366.856 3.013 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000592526816 507696863 /nfs/dbraw/zinc/69/68/63/507696863.db2.gz CDFRGVQANBZDHX-TZIWHRDSSA-N 0 3 371.525 3.446 20 30 FGEDHN C[C@H](N[C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473594 507697981 /nfs/dbraw/zinc/69/79/81/507697981.db2.gz WRNWJZSCMFZAIS-HTAPYJJXSA-N 0 3 367.468 3.375 20 30 FGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cc(F)c(Br)cc1F ZINC000602526096 507738705 /nfs/dbraw/zinc/73/87/05/507738705.db2.gz KXVIGJLNXKVNJO-YMTOWFKASA-N 0 3 374.229 3.316 20 30 FGEDHN C=CCOCCN[C@H]1CCCOc2ccc(I)cc21 ZINC000611559898 507739487 /nfs/dbraw/zinc/73/94/87/507739487.db2.gz INFNSDKDMDLKHV-AWEZNQCLSA-N 0 3 373.234 3.297 20 30 FGEDHN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000602557710 507747985 /nfs/dbraw/zinc/74/79/85/507747985.db2.gz ZTVQMJUSACUJLZ-CVEARBPZSA-N 0 3 364.287 3.442 20 30 FGEDHN CC[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000821222022 607058039 /nfs/dbraw/zinc/05/80/39/607058039.db2.gz NSASDMYZHJEXPZ-CYBMUJFWSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000821222022 607058040 /nfs/dbraw/zinc/05/80/40/607058040.db2.gz NSASDMYZHJEXPZ-CYBMUJFWSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000821222022 607058041 /nfs/dbraw/zinc/05/80/41/607058041.db2.gz NSASDMYZHJEXPZ-CYBMUJFWSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000821222022 607058042 /nfs/dbraw/zinc/05/80/42/607058042.db2.gz NSASDMYZHJEXPZ-CYBMUJFWSA-N 0 3 350.401 3.461 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000069245490 695948426 /nfs/dbraw/zinc/94/84/26/695948426.db2.gz PJESPKXMRRPIAA-CYBMUJFWSA-N 0 3 360.321 3.339 20 30 FGEDHN CCCC(=O)NCC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000105764306 700504652 /nfs/dbraw/zinc/50/46/52/700504652.db2.gz ZMCDQFFFPLURJE-SNVBAGLBSA-N 0 3 363.389 3.181 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000113651914 700573527 /nfs/dbraw/zinc/57/35/27/700573527.db2.gz SEKPORVLZBTQIO-YPMHNXCESA-N 0 3 354.809 3.262 20 30 FGEDHN N#CC(C(=O)CCc1ccccc1Br)C(=O)Nc1ccccn1 ZINC000125207264 700732081 /nfs/dbraw/zinc/73/20/81/700732081.db2.gz CZAXKNVOILYCHV-ZDUSSCGKSA-N 0 3 372.222 3.124 20 30 FGEDHN Cn1cc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000125955773 700741835 /nfs/dbraw/zinc/74/18/35/700741835.db2.gz ZSUHQANOGWETPR-LBPRGKRZSA-N 0 3 365.220 3.007 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCSc1ccccc1Br ZINC000130985245 700808780 /nfs/dbraw/zinc/80/87/80/700808780.db2.gz YAZLMGLJXZFJOY-NSHDSACASA-N 0 3 369.284 3.165 20 30 FGEDHN C#C[C@@H](OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000152855340 704975763 /nfs/dbraw/zinc/97/57/63/704975763.db2.gz KBYHXEALXFNZTE-SWLSCSKDSA-N 0 3 352.217 3.301 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1c(F)cccc1Cl ZINC000193468534 712892455 /nfs/dbraw/zinc/89/24/55/712892455.db2.gz QQAWWVIECQSDKA-LBPRGKRZSA-N 0 3 360.772 3.378 20 30 FGEDHN C[C@]1(NCC(=O)N(CCC#N)c2cccc(Cl)c2)CCO[C@H]1C1CC1 ZINC000374596184 713933213 /nfs/dbraw/zinc/93/32/13/713933213.db2.gz QCHDCBDGSSAOCS-OALUTQOASA-N 0 3 361.873 3.134 20 30 FGEDHN Cc1cc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000521863920 714152886 /nfs/dbraw/zinc/15/28/86/714152886.db2.gz JHTYSHQLPVOTNW-UHFFFAOYSA-N 0 3 362.882 3.126 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)CC1 ZINC000668369734 721282375 /nfs/dbraw/zinc/28/23/75/721282375.db2.gz CVRVKVSQVZSTLL-UHFFFAOYSA-N 0 3 355.404 3.152 20 30 FGEDHN N#Cc1cc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911553 721528090 /nfs/dbraw/zinc/52/80/90/721528090.db2.gz XDDLLDHYXMPQSG-WMZOPIPTSA-N 0 3 372.831 3.088 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000674626650 721701524 /nfs/dbraw/zinc/70/15/24/721701524.db2.gz VUEIXTKGEHKYSJ-UHFFFAOYSA-N 0 3 359.367 3.083 20 30 FGEDHN CCC#C[C@H](C)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479935 721897450 /nfs/dbraw/zinc/89/74/50/721897450.db2.gz RSZCRGUYUWXGIA-KBPBESRZSA-N 0 3 364.287 3.297 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](CO)c1ccc(Cl)cc1 ZINC000679831580 722049444 /nfs/dbraw/zinc/04/94/44/722049444.db2.gz CTZYRXTZJZTYJC-RBUKOAKNSA-N 0 3 361.869 3.131 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000726245720 722432385 /nfs/dbraw/zinc/43/23/85/722432385.db2.gz QSCSAVZGBRNSQQ-INIZCTEOSA-N 0 3 366.303 3.340 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000726245723 722432424 /nfs/dbraw/zinc/43/24/24/722432424.db2.gz QSCSAVZGBRNSQQ-MRXNPFEDSA-N 0 3 366.303 3.340 20 30 FGEDHN N#CC(C(=O)CSC[C@H]1CCCCO1)C(=O)Nc1ccccc1Cl ZINC000727626624 722445750 /nfs/dbraw/zinc/44/57/50/722445750.db2.gz DQSDJLPDFHKTOA-OLZOCXBDSA-N 0 3 366.870 3.290 20 30 FGEDHN CCCC(=O)N1CCC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420557 722468334 /nfs/dbraw/zinc/46/83/34/722468334.db2.gz HSLGOOTYEXPCPM-JSGCOSHPSA-N 0 3 359.426 3.403 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000747768466 722660057 /nfs/dbraw/zinc/66/00/57/722660057.db2.gz GPZYCBTWVVVTKB-CQSZACIVSA-N 0 3 352.265 3.403 20 30 FGEDHN COc1cccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000752160269 722846893 /nfs/dbraw/zinc/84/68/93/722846893.db2.gz INIBFQINQAOYBB-GFCCVEGCSA-N 0 3 364.188 3.358 20 30 FGEDHN N#CC(C(=O)C[C@H]1CSCCS1)C(=O)Nc1ccccc1Cl ZINC000752478118 722858813 /nfs/dbraw/zinc/85/88/13/722858813.db2.gz YNMBPRPXKGYZPD-QWRGUYRKSA-N 0 3 354.884 3.226 20 30 FGEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)cs1 ZINC000759435664 723004458 /nfs/dbraw/zinc/00/44/58/723004458.db2.gz HVBRHNHRKATCJS-NSHDSACASA-N 0 3 362.794 3.134 20 30 FGEDHN N#CC(C(=O)CCCc1cccc(Br)c1)C(=O)N1CCCC1 ZINC000761024109 723114039 /nfs/dbraw/zinc/11/40/39/723114039.db2.gz DZKSGWDDRZJFNQ-HNNXBMFYSA-N 0 3 363.255 3.103 20 30 FGEDHN CC(C)(C)[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000790435385 723139721 /nfs/dbraw/zinc/13/97/21/723139721.db2.gz LREYFQKEOYECOS-CXAGYDPISA-N 0 3 357.479 3.219 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000790605576 723157922 /nfs/dbraw/zinc/15/79/22/723157922.db2.gz ACGVPSGFIAELBN-QGZVFWFLSA-N 0 3 350.384 3.144 20 30 FGEDHN C[C@H]1CCSCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000794570020 723531765 /nfs/dbraw/zinc/53/17/65/723531765.db2.gz COFMARPZUDPRJM-DZGCQCFKSA-N 0 3 352.463 3.051 20 30 FGEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1 ZINC000774042199 723852104 /nfs/dbraw/zinc/85/21/04/723852104.db2.gz DPZUNUKYJHORHU-OAHLLOKOSA-N 0 3 357.797 3.483 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775226653 723972560 /nfs/dbraw/zinc/97/25/60/723972560.db2.gz IAJOACOBWGJNAB-CYBMUJFWSA-N 0 3 360.797 3.449 20 30 FGEDHN N#Cc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000800895742 724244334 /nfs/dbraw/zinc/24/43/34/724244334.db2.gz LSZNJKIUZGEXRJ-UHFFFAOYSA-N 0 3 359.832 3.477 20 30 FGEDHN C[C@@H](C#N)OCCN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000801926630 724346718 /nfs/dbraw/zinc/34/67/18/724346718.db2.gz UEWLDWPYUFNXFY-HNNXBMFYSA-N 0 3 351.491 3.027 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CCCOCC1 ZINC000786311663 724972590 /nfs/dbraw/zinc/97/25/90/724972590.db2.gz LQEKIFPCKHYDCD-CHWSQXEVSA-N 0 3 364.829 3.121 20 30 FGEDHN CC(C)(C)c1ncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000808979315 725221897 /nfs/dbraw/zinc/22/18/97/725221897.db2.gz HPQVZJAYFRUBNN-AWEZNQCLSA-N 0 3 356.813 3.389 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1cccc(Cl)c1F ZINC000810533275 725313019 /nfs/dbraw/zinc/31/30/19/725313019.db2.gz ZYAJJCZBPUCADH-GFCCVEGCSA-N 0 3 360.772 3.378 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](OC)C2)cc1Cl ZINC000815910154 727106669 /nfs/dbraw/zinc/10/66/69/727106669.db2.gz QPCWXCVNSXCMRC-IACUBPJLSA-N 0 3 364.829 3.201 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cccc2cccc(Br)c21 ZINC000818595789 727315696 /nfs/dbraw/zinc/31/56/96/727315696.db2.gz NVOCHKPXNMVGHE-UHFFFAOYSA-N 0 3 359.267 3.287 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N2CCNC(C)(C)C2)s1 ZINC000819351238 727370202 /nfs/dbraw/zinc/37/02/02/727370202.db2.gz XFNNMRTXUMRGEJ-UHFFFAOYSA-N 0 3 359.948 3.049 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cccn1 ZINC000819943172 728955741 /nfs/dbraw/zinc/95/57/41/728955741.db2.gz OVVUFQGYQOOGNU-YGRLFVJLSA-N 0 3 365.220 3.489 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000822572800 729196200 /nfs/dbraw/zinc/19/62/00/729196200.db2.gz ODDWNQHEIDSFAQ-QGZVFWFLSA-N 0 3 368.308 3.422 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000876999620 736173153 /nfs/dbraw/zinc/17/31/53/736173153.db2.gz FOGGJLSQGINWNB-JMCQJSRRSA-N 0 3 367.621 3.374 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)C#Cc2cccs2)cc1 ZINC000828178749 729440874 /nfs/dbraw/zinc/44/08/74/729440874.db2.gz SGVOYGVSKGYTGN-IBGZPJMESA-N 0 3 354.475 3.062 20 30 FGEDHN COC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000832745073 729729417 /nfs/dbraw/zinc/72/94/17/729729417.db2.gz IJMCGMZGALMYEY-LSDHHAIUSA-N 0 3 357.479 3.221 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000834930419 729846661 /nfs/dbraw/zinc/84/66/61/729846661.db2.gz SCRZXNVNXKXPCM-CQSZACIVSA-N 0 3 360.893 3.100 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000836489153 729957497 /nfs/dbraw/zinc/95/74/97/729957497.db2.gz WSXZDYGDKGLBNC-AWEZNQCLSA-N 0 3 355.404 3.363 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)Cc1sc(SC2CCCC2)nc1C ZINC000842288054 730480717 /nfs/dbraw/zinc/48/07/17/730480717.db2.gz BDVHEMYBLQNNRD-CYBMUJFWSA-N 0 3 363.508 3.040 20 30 FGEDHN CC[C@@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842289721 730481164 /nfs/dbraw/zinc/48/11/64/730481164.db2.gz SLEMRGJSALODJX-SWLSCSKDSA-N 0 3 363.255 3.005 20 30 FGEDHN N#CC(C(=O)c1ccc(N2CCNC2=O)cc1)c1nc(C2CC2)cs1 ZINC000842936971 730559884 /nfs/dbraw/zinc/55/98/84/730559884.db2.gz AZPFAONFESMZET-AWEZNQCLSA-N 0 3 352.419 3.040 20 30 FGEDHN N#Cc1ccc(COC(=O)C2CCN(C3CC3)CC2)c(C(F)(F)F)c1 ZINC000849774603 731282043 /nfs/dbraw/zinc/28/20/43/731282043.db2.gz TWXOGKRQUSHNKC-UHFFFAOYSA-N 0 3 352.356 3.495 20 30 FGEDHN N#CC(C(=O)C=CCOC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000870379953 733845742 /nfs/dbraw/zinc/84/57/42/733845742.db2.gz NMPDFXGRYLJINF-DDGIKZQJSA-N 0 3 354.328 3.028 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000876552016 736112876 /nfs/dbraw/zinc/11/28/76/736112876.db2.gz GQDLBDNAEHOPCX-GFCCVEGCSA-N 0 3 367.858 3.236 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000876567463 736114996 /nfs/dbraw/zinc/11/49/96/736114996.db2.gz MMDZIVIDAKDFGK-ZDUSSCGKSA-N 0 3 374.815 3.258 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000876590168 736117850 /nfs/dbraw/zinc/11/78/50/736117850.db2.gz ROEOIHVXLMXOQS-LJQANCHMSA-N 0 3 358.869 3.490 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000876590505 736117995 /nfs/dbraw/zinc/11/79/95/736117995.db2.gz WDZWVEIOHHNXMX-ZENOOKHLSA-N 0 3 363.889 3.213 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000876662943 736128315 /nfs/dbraw/zinc/12/83/15/736128315.db2.gz UFFNVTDUZKFGEO-CYBMUJFWSA-N 0 3 357.679 3.067 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000876904840 736160873 /nfs/dbraw/zinc/16/08/73/736160873.db2.gz LSIPSXUSZIVSFB-CQSZACIVSA-N 0 3 357.679 3.112 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000876941039 736165544 /nfs/dbraw/zinc/16/55/44/736165544.db2.gz FZTJXUSDBJHFTR-HIFRSBDPSA-N 0 3 357.281 3.427 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC1(c3cccs3)CCCCC1)C2 ZINC000884150285 737637956 /nfs/dbraw/zinc/63/79/56/737637956.db2.gz IGOSIQBKYPSWGX-LFDOHDQPSA-N 0 3 357.523 3.206 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCC(c3ccc(Cl)cc3)CC1)C2 ZINC000884310626 737653241 /nfs/dbraw/zinc/65/32/41/737653241.db2.gz CQHQVPRDGSVWOK-GNZRSQJKSA-N 0 3 357.885 3.185 20 30 FGEDHN COC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000886111767 739219634 /nfs/dbraw/zinc/21/96/34/739219634.db2.gz IHNSERRICSOYMP-HOTGVXAUSA-N 0 3 356.388 3.427 20 30 FGEDHN C#CCN(C(=O)c1sc(-c2cccs2)nc1C)C1CCN(C)CC1 ZINC000886585256 739272355 /nfs/dbraw/zinc/27/23/55/739272355.db2.gz OFJAGKOLLIQDIP-UHFFFAOYSA-N 0 3 359.520 3.350 20 30 FGEDHN C=CCC1(O)CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000886758009 739292740 /nfs/dbraw/zinc/29/27/40/739292740.db2.gz XUKLLHZKRKRYSI-CQSZACIVSA-N 0 3 360.281 3.136 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC1CC(S(=O)(=O)c2ccccc2)C1 ZINC000894100773 742239190 /nfs/dbraw/zinc/23/91/90/742239190.db2.gz ALYMQVIKPMITND-NLPFYKDJSA-N 0 3 352.459 3.140 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)c1ccco1 ZINC000894764846 742329769 /nfs/dbraw/zinc/32/97/69/742329769.db2.gz WDPLVSXGIBVWTP-BBRMVZONSA-N 0 3 360.483 3.484 20 30 FGEDHN C=CCOc1ccccc1CN1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000898398664 742789366 /nfs/dbraw/zinc/78/93/66/742789366.db2.gz JCAAOUGIELFZHV-RUZDIDTESA-N 0 3 365.543 3.038 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2cccc(-c3csc(C)n3)c2)CC1 ZINC000899002096 742854005 /nfs/dbraw/zinc/85/40/05/742854005.db2.gz PCGLSSJHBPRUKI-UHFFFAOYSA-N 0 3 353.491 3.080 20 30 FGEDHN CC[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1 ZINC000902760067 743773507 /nfs/dbraw/zinc/77/35/07/743773507.db2.gz FZANBCCZYPNYAO-LJQANCHMSA-N 0 3 357.479 3.049 20 30 FGEDHN C[C@@H](NC[C@H](CO)Cc1cccc(Br)c1)c1cc(C#N)ccn1 ZINC000902972748 743794703 /nfs/dbraw/zinc/79/47/03/743794703.db2.gz HERAHTBZRUOVSC-CZUORRHYSA-N 0 3 374.282 3.218 20 30 FGEDHN CCN1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)[C@H](C)C1 ZINC000910293277 744437135 /nfs/dbraw/zinc/43/71/35/744437135.db2.gz NDOLAQHKPJCICT-CYBMUJFWSA-N 0 3 358.511 3.109 20 30 FGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)CC[C@@H]2C1 ZINC000946594967 762257166 /nfs/dbraw/zinc/25/71/66/762257166.db2.gz BXEOUMNSGAITFH-RDGPPVDQSA-N 0 3 368.949 3.361 20 30 FGEDHN C=CCCC[C@@H](N)C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000912153834 757276936 /nfs/dbraw/zinc/27/69/36/757276936.db2.gz WZEMHZZNLWCCHX-CQSZACIVSA-N 0 3 372.296 3.464 20 30 FGEDHN COc1ccc(C(C)=NNC(=S)NC2CC2)cc1CN1CCCCC1 ZINC000916283109 758064019 /nfs/dbraw/zinc/06/40/19/758064019.db2.gz KUCVROYSIRYYLB-UHFFFAOYSA-N 0 3 360.527 3.032 20 30 FGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1csc(C)n1 ZINC000916903279 758152206 /nfs/dbraw/zinc/15/22/06/758152206.db2.gz MJQANDKXIKJAGF-INIZCTEOSA-N 0 3 355.463 3.466 20 30 FGEDHN C=CCN(CC=C)C(=O)CONC(=N)COc1ccc(Cl)cc1Cl ZINC000918734143 758361488 /nfs/dbraw/zinc/36/14/88/758361488.db2.gz WJZFERSZVCOPSE-UHFFFAOYSA-N 0 3 372.252 3.071 20 30 FGEDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2cccs2)cc1C#N ZINC000926863192 759833329 /nfs/dbraw/zinc/83/33/29/759833329.db2.gz ACCSMHCPZCJMBJ-UHFFFAOYSA-N 0 3 356.495 3.202 20 30 FGEDHN Cc1cc(C#N)cc(C)c1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000929227545 760342024 /nfs/dbraw/zinc/34/20/24/760342024.db2.gz HVTLYIYJVICMSW-HNNXBMFYSA-N 0 3 357.479 3.016 20 30 FGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000999377057 765155024 /nfs/dbraw/zinc/15/50/24/765155024.db2.gz QXVRWLNRRCOPRL-NWINJMCUSA-N 0 3 354.828 3.400 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC001008576455 765681003 /nfs/dbraw/zinc/68/10/03/765681003.db2.gz WGNOGBQMAJFDPD-OTWHNJEPSA-N 0 3 362.901 3.054 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001017225662 765834709 /nfs/dbraw/zinc/83/47/09/765834709.db2.gz DGMVVZHOJCXZAZ-MDASCCDHSA-N 0 3 357.523 3.336 20 30 FGEDHN CN(Cc1ccc(C#N)s1)CC1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001030001803 766161585 /nfs/dbraw/zinc/16/15/85/766161585.db2.gz WOVWRGWYOSVZMA-RBUKOAKNSA-N 0 3 357.523 3.336 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001034941375 766250266 /nfs/dbraw/zinc/25/02/66/766250266.db2.gz HDIRHHINJSOSBM-FMKPAKJESA-N 0 3 368.930 3.463 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccsc1)C2 ZINC001040410060 766305213 /nfs/dbraw/zinc/30/52/13/766305213.db2.gz DFMKLJQMCUTFFQ-HBFSDRIKSA-N 0 3 360.523 3.154 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001054134184 766997735 /nfs/dbraw/zinc/99/77/35/766997735.db2.gz WADNMKKKJWRIGF-ZXKHNXCXSA-N 0 3 352.906 3.035 20 30 FGEDHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(C#N)CCc1ccccc1 ZINC000567941182 505579744 /nfs/dbraw/zinc/57/97/44/505579744.db2.gz NPDCXPIJYOQFJS-SJORKVTESA-N 0 3 351.454 3.125 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2C2CCOCC2)c1C ZINC000568124285 505622376 /nfs/dbraw/zinc/62/23/76/505622376.db2.gz VCNXZTXYOLOEKH-NRFANRHFSA-N 0 3 369.509 3.441 20 30 FGEDHN CC(C)c1ccc(CCCNCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000579824875 505628031 /nfs/dbraw/zinc/62/80/31/505628031.db2.gz YOHGQBAUDINQST-UHFFFAOYSA-N 0 3 371.506 3.073 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCC2 ZINC000574017881 505674256 /nfs/dbraw/zinc/67/42/56/505674256.db2.gz HGVUTVQBGGIZAB-DLBZAZTESA-N 0 3 373.522 3.374 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027952643 493768677 /nfs/dbraw/zinc/76/86/77/493768677.db2.gz QNJSJSJJTBQBAX-ZWKOTPCHSA-N 0 3 357.498 3.150 20 30 FGEDHN N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000057554203 493772989 /nfs/dbraw/zinc/77/29/89/493772989.db2.gz PXUGXAPZABGXGA-IBGZPJMESA-N 0 3 361.445 3.104 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H](N4CCCCC4)C3)o2)cc1 ZINC000075718902 493773169 /nfs/dbraw/zinc/77/31/69/493773169.db2.gz JPYJEQQZKLWEPC-GOSISDBHSA-N 0 3 351.454 3.059 20 30 FGEDHN COC(=O)c1cccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000028154787 493778108 /nfs/dbraw/zinc/77/81/08/493778108.db2.gz PSDMWXXNAZTWEL-UHFFFAOYSA-N 0 3 363.461 3.053 20 30 FGEDHN Cc1[nH]c2ccccc2c1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310388 493794835 /nfs/dbraw/zinc/79/48/35/493794835.db2.gz SJIPNJDQCYGMFL-UHFFFAOYSA-N 0 3 374.488 3.481 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000068387802 493810300 /nfs/dbraw/zinc/81/03/00/493810300.db2.gz WMYKQEGNDCZSCG-MRXNPFEDSA-N 0 3 350.466 3.216 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000058452137 493855168 /nfs/dbraw/zinc/85/51/68/493855168.db2.gz YFHYCPCJIOLJJU-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN COc1ccc(Cl)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000076394466 493883155 /nfs/dbraw/zinc/88/31/55/493883155.db2.gz ZZTIIECMNMJTKZ-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN CCO[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000076408743 493886272 /nfs/dbraw/zinc/88/62/72/493886272.db2.gz HDBTZQWMOUSJPA-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000076409402 493887678 /nfs/dbraw/zinc/88/76/78/493887678.db2.gz UBEINWCYCCBUKM-UHFFFAOYSA-N 0 3 364.424 3.383 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000050028040 493891839 /nfs/dbraw/zinc/89/18/39/493891839.db2.gz AGTIKCKZXQWSAQ-UHFFFAOYSA-N 0 3 367.474 3.284 20 30 FGEDHN COc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC)c1 ZINC000068991195 493903446 /nfs/dbraw/zinc/90/34/46/493903446.db2.gz MXCJPSXZCLOXOW-KRWDZBQOSA-N 0 3 369.440 3.473 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CCCCC)cc2)CC1 ZINC000076525985 493914740 /nfs/dbraw/zinc/91/47/40/493914740.db2.gz BAGNIIYNYXYUFS-UHFFFAOYSA-N 0 3 357.498 3.124 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1occc1Br)C(C)C ZINC000081758393 493951624 /nfs/dbraw/zinc/95/16/24/493951624.db2.gz CRQDICITGXSQNX-CQSZACIVSA-N 0 3 355.276 3.471 20 30 FGEDHN Cc1ccccc1NC(=O)CCN(C)CCOCc1ccc(C#N)cc1 ZINC000568437971 505693450 /nfs/dbraw/zinc/69/34/50/505693450.db2.gz ACJCCRLNMOTRSG-UHFFFAOYSA-N 0 3 351.450 3.344 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000076978607 494002826 /nfs/dbraw/zinc/00/28/26/494002826.db2.gz VSRWBXBRPYMTKY-RDTXWAMCSA-N 0 3 365.905 3.366 20 30 FGEDHN CCOc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000083595994 494026341 /nfs/dbraw/zinc/02/63/41/494026341.db2.gz UXFKCCFOIUPCTK-UHFFFAOYSA-N 0 3 350.466 3.060 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1cc(C#N)cs1)c1cccc(OC)c1 ZINC000084073066 494046254 /nfs/dbraw/zinc/04/62/54/494046254.db2.gz WPLFCEHDUXISTL-QGZVFWFLSA-N 0 3 357.479 3.441 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc(OCC#N)c1 ZINC000084317430 494063087 /nfs/dbraw/zinc/06/30/87/494063087.db2.gz FNXUCVXDIBVHAW-UHFFFAOYSA-N 0 3 358.467 3.246 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC#Cc1ccccc1 ZINC000077530085 494106057 /nfs/dbraw/zinc/10/60/57/494106057.db2.gz IDZSMFXGVIXZRI-FQEVSTJZSA-N 0 3 361.489 3.344 20 30 FGEDHN C=CCN(CC(=O)NC1CCN(C2CC2)CC1)Cc1ccc(Cl)s1 ZINC000064507943 494130046 /nfs/dbraw/zinc/13/00/46/494130046.db2.gz BMWNMBQICVLUHB-UHFFFAOYSA-N 0 3 367.946 3.133 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2CN2CCC[C@@H]2CO)c1 ZINC000085582296 494132766 /nfs/dbraw/zinc/13/27/66/494132766.db2.gz QIIFCYOXDPAAOY-RBUKOAKNSA-N 0 3 373.497 3.095 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000064960302 494162244 /nfs/dbraw/zinc/16/22/44/494162244.db2.gz DAKZCMFMGQENJZ-ZDUSSCGKSA-N 0 3 369.918 3.000 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000065930802 494257458 /nfs/dbraw/zinc/25/74/58/494257458.db2.gz NSKYDDQKQKMXQV-LEWJYISDSA-N 0 3 365.452 3.391 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000065984413 494266003 /nfs/dbraw/zinc/26/60/03/494266003.db2.gz NILNKHDGINZCKV-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC3(C2)CCOCC3)c1 ZINC000072898970 494278384 /nfs/dbraw/zinc/27/83/84/494278384.db2.gz QQOUCVPEMXIFAY-IBGZPJMESA-N 0 3 369.509 3.441 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000568511071 505712892 /nfs/dbraw/zinc/71/28/92/505712892.db2.gz KSSWAXBLALSFFH-AWEZNQCLSA-N 0 3 360.531 3.207 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000066725663 494395947 /nfs/dbraw/zinc/39/59/47/494395947.db2.gz RWDURQVJUYKAMH-UHFFFAOYSA-N 0 3 350.466 3.080 20 30 FGEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000055757790 494402440 /nfs/dbraw/zinc/40/24/40/494402440.db2.gz KOFZTYNSNYCPSK-BRWVUGGUSA-N 0 3 359.539 3.274 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1sc(C)nc1C)C(C)C ZINC000073710652 494416495 /nfs/dbraw/zinc/41/64/95/494416495.db2.gz CJUKJKPVAHXGPA-INIZCTEOSA-N 0 3 350.532 3.258 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000574217484 505722787 /nfs/dbraw/zinc/72/27/87/505722787.db2.gz NTDFCHHOWPTBBC-QGZVFWFLSA-N 0 3 372.415 3.456 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](CO)C2CCCC2)ccc1Cl ZINC000574202363 505718933 /nfs/dbraw/zinc/71/89/33/505718933.db2.gz GCVRUWVYBHPUSX-SFHVURJKSA-N 0 3 363.889 3.036 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000079556019 494480934 /nfs/dbraw/zinc/48/09/34/494480934.db2.gz YYEKOYNBRKTHNF-FXAWDEMLSA-N 0 3 363.461 3.106 20 30 FGEDHN Cc1ccccc1CN1CCCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000046039687 494489184 /nfs/dbraw/zinc/48/91/84/494489184.db2.gz SMOBQJNHFWQQAO-UHFFFAOYSA-N 0 3 362.477 3.284 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nc2onc(C)c21)C(C)C ZINC000046049062 494489789 /nfs/dbraw/zinc/48/97/89/494489789.db2.gz ACLWVOQARGADON-KRWDZBQOSA-N 0 3 356.470 3.268 20 30 FGEDHN COc1ccc(OCCN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000046087023 494493426 /nfs/dbraw/zinc/49/34/26/494493426.db2.gz KVXQCERBBYPLLT-UHFFFAOYSA-N 0 3 351.450 3.158 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000056656928 494543361 /nfs/dbraw/zinc/54/33/61/494543361.db2.gz PWWQUITZRNQBOD-UHFFFAOYSA-N 0 3 352.438 3.340 20 30 FGEDHN C=C(C)CN(CC)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000080077405 494587111 /nfs/dbraw/zinc/58/71/11/494587111.db2.gz AANDBCZBMUTGPU-UHFFFAOYSA-N 0 3 358.530 3.196 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000092415900 494619189 /nfs/dbraw/zinc/61/91/89/494619189.db2.gz ZWTWIVSOODBYHB-UHFFFAOYSA-N 0 3 358.482 3.412 20 30 FGEDHN N#CCCn1cc(CN[C@H](CO)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000131503175 494641324 /nfs/dbraw/zinc/64/13/24/494641324.db2.gz TYNBDACUXFBXLP-NRFANRHFSA-N 0 3 360.461 3.157 20 30 FGEDHN CCc1nc(COc2ccc(C([O-])=C(C#N)c3nc(C)cs3)cc2)no1 ZINC000115901058 494660084 /nfs/dbraw/zinc/66/00/84/494660084.db2.gz GUNCIHHVTGEODC-CQSZACIVSA-N 0 3 368.418 3.466 20 30 FGEDHN CCc1nc(COc2ccc(C(=O)C(C#N)c3nc(C)cs3)cc2)no1 ZINC000115901058 494660090 /nfs/dbraw/zinc/66/00/90/494660090.db2.gz GUNCIHHVTGEODC-CQSZACIVSA-N 0 3 368.418 3.466 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1OCCCC#N ZINC000121272919 494676595 /nfs/dbraw/zinc/67/65/95/494676595.db2.gz TZTNVDLCQQEURR-QGZVFWFLSA-N 0 3 354.454 3.480 20 30 FGEDHN CC(=O)NC1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000092670093 494705834 /nfs/dbraw/zinc/70/58/34/494705834.db2.gz GNGANXYNVJRZMR-UHFFFAOYSA-N 0 3 363.461 3.238 20 30 FGEDHN N#Cc1c(Cl)nsc1NC1CCN(CC2(O)CCCCC2)CC1 ZINC000092689112 494712929 /nfs/dbraw/zinc/71/29/29/494712929.db2.gz QFFVJVCDRWKFEG-UHFFFAOYSA-N 0 3 354.907 3.240 20 30 FGEDHN CC[C@H](CNC[C@H](O)COc1ccc(C#N)cc1)Oc1cccc(C)c1 ZINC000577484957 505737767 /nfs/dbraw/zinc/73/77/67/505737767.db2.gz OCOLPKLHAAWFKS-RBUKOAKNSA-N 0 3 354.450 3.054 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NCCN2CCCC[C@H]2C)c1C#N ZINC000068121742 494768960 /nfs/dbraw/zinc/76/89/60/494768960.db2.gz QPZAFOKEAGXNAE-CYBMUJFWSA-N 0 3 358.511 3.157 20 30 FGEDHN CCOCCO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092067323 494776719 /nfs/dbraw/zinc/77/67/19/494776719.db2.gz XKRODTZXOSMKGP-FQEVSTJZSA-N 0 3 368.481 3.091 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@H](n3cccn3)C2)c(-c2ccccc2)n1 ZINC000092967153 494796791 /nfs/dbraw/zinc/79/67/91/494796791.db2.gz RSGNFZOQHIXGRP-FQEVSTJZSA-N 0 3 360.465 3.497 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CC(C)(C)O)cc1OC ZINC000093414584 494889192 /nfs/dbraw/zinc/88/91/92/494889192.db2.gz GMUOVKOKBGPPGK-UHFFFAOYSA-N 0 3 358.276 3.225 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000093685180 494912315 /nfs/dbraw/zinc/91/23/15/494912315.db2.gz SWKABVLULCDHOS-ZDUSSCGKSA-N 0 3 359.417 3.243 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000133131768 494974582 /nfs/dbraw/zinc/97/45/82/494974582.db2.gz OUNJDCLUECKBTE-UHFFFAOYSA-N 0 3 355.388 3.231 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)CC1 ZINC000110459969 494979785 /nfs/dbraw/zinc/97/97/85/494979785.db2.gz GRWFGXAVLRIRGR-UHFFFAOYSA-N 0 3 355.482 3.263 20 30 FGEDHN C[C@H](N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)CCC#N ZINC000112532451 495202389 /nfs/dbraw/zinc/20/23/89/495202389.db2.gz VQGXKQMWKKVYOV-IRXDYDNUSA-N 0 3 366.465 3.072 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Nc3ccc(C)nn3)c2)CC1 ZINC000134862356 495211354 /nfs/dbraw/zinc/21/13/54/495211354.db2.gz YBXFDXPHIKBAOI-UHFFFAOYSA-N 0 3 365.481 3.299 20 30 FGEDHN C=CCCS(=O)(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000119709345 495224021 /nfs/dbraw/zinc/22/40/21/495224021.db2.gz PBDTVPMLYUGHTM-IAGOWNOFSA-N 0 3 350.528 3.160 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119780643 495239869 /nfs/dbraw/zinc/23/98/69/495239869.db2.gz XNMAJJVJCOHZEI-YLJYHZDGSA-N 0 3 351.494 3.463 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(NC(C)=O)ccc1F)C(C)C ZINC000112919808 495257468 /nfs/dbraw/zinc/25/74/68/495257468.db2.gz SKYCQFSNFIXKKH-LJQANCHMSA-N 0 3 361.461 3.213 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1[C@H](C)CC[C@H]1C ZINC000104918374 495315080 /nfs/dbraw/zinc/31/50/80/495315080.db2.gz LLWXYKZGHANLMQ-ZACQAIPSSA-N 0 3 355.482 3.189 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cc(-c4ccccc4)n[nH]3)CC2)nc1 ZINC000136028537 495350978 /nfs/dbraw/zinc/35/09/78/495350978.db2.gz ZKZOTDHDTKZNCL-UHFFFAOYSA-N 0 3 358.449 3.102 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)onc1-c1ccncc1)C(C)C ZINC000130313394 495372175 /nfs/dbraw/zinc/37/21/75/495372175.db2.gz MCOQBUMYKGWABJ-SFHVURJKSA-N 0 3 368.481 3.473 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CCC1CCOCC1 ZINC000120525670 495397743 /nfs/dbraw/zinc/39/77/43/495397743.db2.gz HKJQASASRMNKDZ-MRXNPFEDSA-N 0 3 361.461 3.209 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000106035973 495406164 /nfs/dbraw/zinc/40/61/64/495406164.db2.gz LDEDXZYZQJMILU-UHFFFAOYSA-N 0 3 356.388 3.241 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2COCCC)CC1 ZINC000106261387 495440838 /nfs/dbraw/zinc/44/08/38/495440838.db2.gz WRMLJQJGCJKFAG-UHFFFAOYSA-N 0 3 359.514 3.453 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccc(OC)cc2)CC1 ZINC000106275707 495441935 /nfs/dbraw/zinc/44/19/35/495441935.db2.gz AHACZBCQXJLGBQ-UHFFFAOYSA-N 0 3 359.514 3.313 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000106349578 495447488 /nfs/dbraw/zinc/44/74/88/495447488.db2.gz LAYDYFDFEIHZNX-UHFFFAOYSA-N 0 3 370.280 3.089 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1)C(C)C ZINC000106533187 495463787 /nfs/dbraw/zinc/46/37/87/495463787.db2.gz YWQNZJCUEUZOOT-QZTJIDSGSA-N 0 3 359.518 3.345 20 30 FGEDHN CN(CCC#N)C(=O)CCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000130977897 495474619 /nfs/dbraw/zinc/47/46/19/495474619.db2.gz VTOWFIJTTSFOSC-UHFFFAOYSA-N 0 3 353.388 3.432 20 30 FGEDHN CCNC(=O)C(C)(C)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000120929547 495487428 /nfs/dbraw/zinc/48/74/28/495487428.db2.gz UVAZMQHPLKRGRX-UHFFFAOYSA-N 0 3 365.477 3.389 20 30 FGEDHN N#Cc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000140224488 495491253 /nfs/dbraw/zinc/49/12/53/495491253.db2.gz LYQAMQDWVQCHJD-MRXNPFEDSA-N 0 3 369.490 3.027 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000141789334 495510631 /nfs/dbraw/zinc/51/06/31/495510631.db2.gz DZXQBHFRJQSJLI-UHFFFAOYSA-N 0 3 360.889 3.100 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)NCc3ccc(C#N)cc3)cc2)CC1 ZINC000143014146 495530217 /nfs/dbraw/zinc/53/02/17/495530217.db2.gz SMKHSWXYPPIMSI-UHFFFAOYSA-N 0 3 362.477 3.019 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)COc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000143257860 495531845 /nfs/dbraw/zinc/53/18/45/495531845.db2.gz NOFLOFIQUHWGRN-OAQYLSRUSA-N 0 3 363.461 3.199 20 30 FGEDHN COc1cc(CNCCSCc2ccccc2C#N)cc2c1OCCO2 ZINC000170670823 495555416 /nfs/dbraw/zinc/55/54/16/495555416.db2.gz DSYMKOHQHAMBTM-UHFFFAOYSA-N 0 3 370.474 3.361 20 30 FGEDHN C=CCC[C@H](NC(=O)NC1CCN(CCCOC)CC1)c1ccccc1 ZINC000158687472 495567154 /nfs/dbraw/zinc/56/71/54/495567154.db2.gz FIYGUEALOPEHQY-FQEVSTJZSA-N 0 3 359.514 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)ccc2OCCOC)CC1 ZINC000176322099 495600178 /nfs/dbraw/zinc/60/01/78/495600178.db2.gz OXHNDADZHCHRPH-UHFFFAOYSA-N 0 3 366.889 3.136 20 30 FGEDHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1COc2ccccc21 ZINC000185606534 495641678 /nfs/dbraw/zinc/64/16/78/495641678.db2.gz XJKHQTCYSPGWMQ-WBMJQRKESA-N 0 3 355.825 3.304 20 30 FGEDHN C=CCc1cc(CNC2(C(=O)NCCC)CCCCC2)cc(OC)c1O ZINC000154530309 495644958 /nfs/dbraw/zinc/64/49/58/495644958.db2.gz IGOCXTJPKAOTIX-UHFFFAOYSA-N 0 3 360.498 3.448 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2nnc(/C=C/c3ccco3)s2)CC1 ZINC000179623622 495664827 /nfs/dbraw/zinc/66/48/27/495664827.db2.gz ITFQRQRBWFQZGC-AATRIKPKSA-N 0 3 359.455 3.073 20 30 FGEDHN N#Cc1ccc(NC(=O)CCNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000170971727 495672615 /nfs/dbraw/zinc/67/26/15/495672615.db2.gz GMAYJWHPVPEUCC-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000176499580 495674499 /nfs/dbraw/zinc/67/44/99/495674499.db2.gz NDDJKTOHIYYAJU-KRWDZBQOSA-N 0 3 367.497 3.273 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)Cc2ccccc2OC)CC1 ZINC000176499929 495675178 /nfs/dbraw/zinc/67/51/78/495675178.db2.gz ZLHCHDFVAJTLRR-QGZVFWFLSA-N 0 3 359.514 3.308 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C#N)C3CCCCC3)cc2)CC1 ZINC000176634868 495729138 /nfs/dbraw/zinc/72/91/38/495729138.db2.gz GPKKVDRCHXZQQZ-HXUWFJFHSA-N 0 3 354.498 3.031 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNC[C@]3(O)CCSC3)c2)c1 ZINC000176750386 495772511 /nfs/dbraw/zinc/77/25/11/495772511.db2.gz UBUGEECIBKBSNK-HXUWFJFHSA-N 0 3 354.475 3.095 20 30 FGEDHN CC[C@H](NCc1ccccc1C(C)(C)C#N)c1cccc(S(N)(=O)=O)c1 ZINC000183017193 495799237 /nfs/dbraw/zinc/79/92/37/495799237.db2.gz BOPPMIRFZNGYAW-IBGZPJMESA-N 0 3 371.506 3.376 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2COC3(CCOCC3)O2)cc1 ZINC000179982616 495809935 /nfs/dbraw/zinc/80/99/35/495809935.db2.gz VBSKKLIQTDESHT-QAPCUYQASA-N 0 3 367.873 3.391 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@H]2COC3(CCOCC3)O2)cc1 ZINC000179982601 495810067 /nfs/dbraw/zinc/81/00/67/495810067.db2.gz VBSKKLIQTDESHT-YJBOKZPZSA-N 0 3 367.873 3.391 20 30 FGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1COc2ccccc21 ZINC000180004423 495818554 /nfs/dbraw/zinc/81/85/54/495818554.db2.gz VDFXQHXJTFDWTR-CWFSZBLJSA-N 0 3 361.445 3.208 20 30 FGEDHN C[C@H](NCc1ccc(C#N)s1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000176963377 495861031 /nfs/dbraw/zinc/86/10/31/495861031.db2.gz VQYBCNROKSMQLT-AWEZNQCLSA-N 0 3 358.486 3.361 20 30 FGEDHN COCCOc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000183183884 495871034 /nfs/dbraw/zinc/87/10/34/495871034.db2.gz IHKKWRYBOGZBEF-UHFFFAOYSA-N 0 3 366.465 3.055 20 30 FGEDHN Cc1nc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)ccc1C#N ZINC000577882078 505811240 /nfs/dbraw/zinc/81/12/40/505811240.db2.gz LZDLZBSWMYGYCG-FQEVSTJZSA-N 0 3 366.465 3.082 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC1 ZINC000171637687 495959098 /nfs/dbraw/zinc/95/90/98/495959098.db2.gz QHRKYTWRTXJXLE-UHFFFAOYSA-N 0 3 368.437 3.304 20 30 FGEDHN C[C@@H](C[C@@H](O)c1ccco1)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351240 495962101 /nfs/dbraw/zinc/96/21/01/495962101.db2.gz OTOVBNJNEWSAGV-KBXCAEBGSA-N 0 3 350.422 3.154 20 30 FGEDHN Cn1cc(CNC[C@@H]2COC3(CCCCC3)O2)c(-c2ccc(C#N)cc2)n1 ZINC000180360302 495965346 /nfs/dbraw/zinc/96/53/46/495965346.db2.gz WJQGUYPAXVAIKC-LJQANCHMSA-N 0 3 366.465 3.124 20 30 FGEDHN C[C@](O)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccco1 ZINC000174526344 495995732 /nfs/dbraw/zinc/99/57/32/495995732.db2.gz MITQPWCUSMBNOD-FQEVSTJZSA-N 0 3 350.422 3.054 20 30 FGEDHN C=CCSCCN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000180456556 496002981 /nfs/dbraw/zinc/00/29/81/496002981.db2.gz WCQXFZNHIXJEQE-NSHDSACASA-N 0 3 365.467 3.261 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000171737243 496013461 /nfs/dbraw/zinc/01/34/61/496013461.db2.gz RRNHCGOBDVNPFA-UHFFFAOYSA-N 0 3 360.458 3.165 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000171740605 496016121 /nfs/dbraw/zinc/01/61/21/496016121.db2.gz MCUOBVZJUOQEDT-SFHVURJKSA-N 0 3 363.889 3.073 20 30 FGEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cccnc1 ZINC000155702988 496040233 /nfs/dbraw/zinc/04/02/33/496040233.db2.gz LGCQFEPRQLQTPG-INIZCTEOSA-N 0 3 374.400 3.361 20 30 FGEDHN CN(CC#Cc1ccc(F)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000155718881 496046474 /nfs/dbraw/zinc/04/64/74/496046474.db2.gz CVLDDEQONNZMQM-UHFFFAOYSA-N 0 3 351.469 3.211 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(CC#N)cc1)c1ccco1 ZINC000574633652 505820551 /nfs/dbraw/zinc/82/05/51/505820551.db2.gz FVYJIBKWEITPFN-CRAIPNDOSA-N 0 3 354.454 3.274 20 30 FGEDHN C[C@H]1CN(CCC2CCN(Cc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177500800 496087903 /nfs/dbraw/zinc/08/79/03/496087903.db2.gz KHZAASFGBDIAMN-IRXDYDNUSA-N 0 3 359.489 3.409 20 30 FGEDHN CN(C[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000155934122 496111937 /nfs/dbraw/zinc/11/19/37/496111937.db2.gz HFTSSIYGHZVUKV-MJGOQNOKSA-N 0 3 373.497 3.171 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1csc(-c2cnccn2)n1)C(C)C ZINC000171980520 496116197 /nfs/dbraw/zinc/11/61/97/496116197.db2.gz XYAAUVWXDONLLF-QGZVFWFLSA-N 0 3 371.510 3.029 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(N3CCN(CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000186814780 496164365 /nfs/dbraw/zinc/16/43/65/496164365.db2.gz QSDIFZZHFRTTIC-MRXNPFEDSA-N 0 3 352.482 3.005 20 30 FGEDHN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)N(CCC#N)CCC#N ZINC000177741469 496179777 /nfs/dbraw/zinc/17/97/77/496179777.db2.gz PRDBPYIYFFPRLA-CVEARBPZSA-N 0 3 360.889 3.420 20 30 FGEDHN CC(C)c1ccc2c(c1)[C@H](NCCNC(=O)C1N=CC=CC1=O)CCCO2 ZINC000180881015 496183751 /nfs/dbraw/zinc/18/37/51/496183751.db2.gz ARBBGONPPONEPM-QBEKEKFNSA-N 0 3 369.465 3.140 20 30 FGEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000156226832 496192743 /nfs/dbraw/zinc/19/27/43/496192743.db2.gz HKINENFRGBKWPO-HNNXBMFYSA-N 0 3 373.334 3.483 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000180983194 496228929 /nfs/dbraw/zinc/22/89/29/496228929.db2.gz WWBNAHKVDHYDID-ZWKOTPCHSA-N 0 3 363.889 3.120 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181143179 496286045 /nfs/dbraw/zinc/28/60/45/496286045.db2.gz ARFJBTJGPMZXLE-KRWDZBQOSA-N 0 3 352.482 3.251 20 30 FGEDHN N#Cc1cccc(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000577994696 505836665 /nfs/dbraw/zinc/83/66/65/505836665.db2.gz RHZXEPWIQLDQKR-FCHUYYIVSA-N 0 3 374.488 3.222 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)CCCCC1 ZINC000181231946 496321732 /nfs/dbraw/zinc/32/17/32/496321732.db2.gz MTYGWSUEUDIPNV-HKUYNNGSSA-N 0 3 355.482 3.087 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000580780621 505837659 /nfs/dbraw/zinc/83/76/59/505837659.db2.gz FOPJFMAUWJETNT-VGOFRKELSA-N 0 3 363.461 3.106 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181290453 496342444 /nfs/dbraw/zinc/34/24/44/496342444.db2.gz SEQUOYJGJDTWQU-JKSUJKDBSA-N 0 3 359.470 3.107 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000184345668 496344287 /nfs/dbraw/zinc/34/42/87/496344287.db2.gz YWZORAQFNQWPTK-UWJYYQICSA-N 0 3 362.477 3.220 20 30 FGEDHN COc1ccc(OC)c([C@@H](C)NCCOc2ccc(C#N)cc2OC)c1 ZINC000172647913 496374941 /nfs/dbraw/zinc/37/49/41/496374941.db2.gz GYYYYRSZTYGUHV-CQSZACIVSA-N 0 3 356.422 3.314 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)CNc2cccc(C#N)c2)CC1 ZINC000153410570 496446151 /nfs/dbraw/zinc/44/61/51/496446151.db2.gz KHLHBBUATVMJLP-UHFFFAOYSA-N 0 3 362.477 3.059 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000178546691 496494720 /nfs/dbraw/zinc/49/47/20/496494720.db2.gz BOYLRGIOLVKTTA-UHFFFAOYSA-N 0 3 352.482 3.178 20 30 FGEDHN C=CC[C@@H](C(=O)NCc1ccccc1CN1CC[C@H](O)C1)c1ccccc1 ZINC000187584539 496499201 /nfs/dbraw/zinc/49/92/01/496499201.db2.gz KDOUMDNRMLQBAN-FCHUYYIVSA-N 0 3 364.489 3.229 20 30 FGEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153651776 496533369 /nfs/dbraw/zinc/53/33/69/496533369.db2.gz YROPUZZZAYPLEU-UXHICEINSA-N 0 3 355.507 3.389 20 30 FGEDHN CC(C)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCOCC1 ZINC000163607576 496537520 /nfs/dbraw/zinc/53/75/20/496537520.db2.gz KSWUYVOWQBZOTR-UHFFFAOYSA-N 0 3 363.889 3.476 20 30 FGEDHN C[C@@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000181788363 496545053 /nfs/dbraw/zinc/54/50/53/496545053.db2.gz MJJZZRDGPQRPLQ-SJKOYZFVSA-N 0 3 358.825 3.367 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000178778956 496567761 /nfs/dbraw/zinc/56/77/61/496567761.db2.gz QMUJUYXDKWRYKN-XLIONFOSSA-N 0 3 357.498 3.104 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000578059863 505852346 /nfs/dbraw/zinc/85/23/46/505852346.db2.gz UAFVWUJROJGOQS-YADHBBJMSA-N 0 3 374.488 3.222 20 30 FGEDHN C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N1[C@H](C)CC[C@@H]1C ZINC000175861968 496576723 /nfs/dbraw/zinc/57/67/23/496576723.db2.gz ZCMNCCDIQLKHFF-ZNMIVQPWSA-N 0 3 352.400 3.434 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2sc(CC)nc2C)CC1 ZINC000173198446 496589214 /nfs/dbraw/zinc/58/92/14/496589214.db2.gz QVSWAYYMJJXXAB-CQSZACIVSA-N 0 3 350.532 3.367 20 30 FGEDHN C[C@@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181916041 496598442 /nfs/dbraw/zinc/59/84/42/496598442.db2.gz HUFKAWMMPNRFSQ-HIFRSBDPSA-N 0 3 371.387 3.323 20 30 FGEDHN CC(=O)Nc1cccc(OCCN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181923697 496601823 /nfs/dbraw/zinc/60/18/23/496601823.db2.gz IUHLSSQDOLNEDM-OAHLLOKOSA-N 0 3 353.422 3.277 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)c2cccc(SCC#N)c2)c1 ZINC000176021114 496646941 /nfs/dbraw/zinc/64/69/41/496646941.db2.gz KOMQBOWDQRFZES-UHFFFAOYSA-N 0 3 369.490 3.173 20 30 FGEDHN N#CC(C(=O)c1cnn2c1CCCC2)c1nc2ccccc2n1C(F)F ZINC000179041899 496655435 /nfs/dbraw/zinc/65/54/35/496655435.db2.gz GBNTVANVMUJJRG-NSHDSACASA-N 0 3 355.348 3.454 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000188038304 496659201 /nfs/dbraw/zinc/65/92/01/496659201.db2.gz NMRILMBQAUYXET-SFHVURJKSA-N 0 3 354.878 3.448 20 30 FGEDHN C=CCN1CCC(NC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000179083221 496668977 /nfs/dbraw/zinc/66/89/77/496668977.db2.gz ZFAXECVMNXKAQS-UHFFFAOYSA-N 0 3 357.376 3.087 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2cc(C#N)ccn2)N(CC)CC)cc1 ZINC000569135662 505860075 /nfs/dbraw/zinc/86/00/75/505860075.db2.gz FBSWTABMRAXWKS-HXUWFJFHSA-N 0 3 350.466 3.329 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000179219056 496715544 /nfs/dbraw/zinc/71/55/44/496715544.db2.gz AVUVOSWHFMCSAU-INIZCTEOSA-N 0 3 363.889 3.153 20 30 FGEDHN CCOc1ccc(OC[C@H](O)CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957088 496773554 /nfs/dbraw/zinc/77/35/54/496773554.db2.gz NBGOMHSREANYGQ-HXUWFJFHSA-N 0 3 366.461 3.361 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1 ZINC000191637331 496841307 /nfs/dbraw/zinc/84/13/07/496841307.db2.gz YPHVRTAKZACHKE-UHFFFAOYSA-N 0 3 355.482 3.197 20 30 FGEDHN C=CCOc1cccc(CNC[C@@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000191764628 496882482 /nfs/dbraw/zinc/88/24/82/496882482.db2.gz AWUMRVBOHAIFGC-FQEVSTJZSA-N 0 3 356.466 3.316 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccccc3OC)CC2)CC1 ZINC000264384066 496887075 /nfs/dbraw/zinc/88/70/75/496887075.db2.gz MEOAEKJWXHLFBD-UHFFFAOYSA-N 0 3 357.498 3.067 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000264415418 496895928 /nfs/dbraw/zinc/89/59/28/496895928.db2.gz RYQLBMBGJAYEID-HXUWFJFHSA-N 0 3 373.497 3.406 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000264415417 496896125 /nfs/dbraw/zinc/89/61/25/496896125.db2.gz RYQLBMBGJAYEID-FQEVSTJZSA-N 0 3 373.497 3.406 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000572025277 505872751 /nfs/dbraw/zinc/87/27/51/505872751.db2.gz XRIOMZLNAIEECR-DNVCBOLYSA-N 0 3 374.529 3.462 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000264530320 496921230 /nfs/dbraw/zinc/92/12/30/496921230.db2.gz RDOWPXKJKLAEKW-HNNXBMFYSA-N 0 3 354.450 3.272 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000191948000 496940332 /nfs/dbraw/zinc/94/03/32/496940332.db2.gz ZATCYTCUDAMIMY-UHFFFAOYSA-N 0 3 371.525 3.277 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2cnn(CC)c2)CC1 ZINC000195512642 496948114 /nfs/dbraw/zinc/94/81/14/496948114.db2.gz WXXKLNXLAUUQFV-OAQYLSRUSA-N 0 3 369.509 3.251 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](N3CCCCC3)C2)cc1C ZINC000264667311 496958101 /nfs/dbraw/zinc/95/81/01/496958101.db2.gz ZTCCBGLMXBEULS-NRFANRHFSA-N 0 3 368.525 3.110 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000274126094 497021401 /nfs/dbraw/zinc/02/14/01/497021401.db2.gz GSQLQORYJCFXHH-OXJNMPFZSA-N 0 3 364.449 3.231 20 30 FGEDHN CC[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(C#N)cc1 ZINC000278196738 497034597 /nfs/dbraw/zinc/03/45/97/497034597.db2.gz FYIPNZLGXLRDBQ-OXJNMPFZSA-N 0 3 350.466 3.419 20 30 FGEDHN CC[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(C#N)cc1 ZINC000278218470 497041091 /nfs/dbraw/zinc/04/10/91/497041091.db2.gz IRMUWVSITCDOBN-FQEVSTJZSA-N 0 3 351.450 3.266 20 30 FGEDHN CCNC(=O)COc1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000278220417 497041787 /nfs/dbraw/zinc/04/17/87/497041787.db2.gz IVSVNYXDNBMGIP-FQEVSTJZSA-N 0 3 351.450 3.314 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000248715438 497085687 /nfs/dbraw/zinc/08/56/87/497085687.db2.gz NOJXHCYUGHMKRR-OFNKIYASSA-N 0 3 365.473 3.286 20 30 FGEDHN N#CCc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000270251639 497087166 /nfs/dbraw/zinc/08/71/66/497087166.db2.gz FLUVCAHLITYUCY-UHFFFAOYSA-N 0 3 353.491 3.456 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000278519259 497142053 /nfs/dbraw/zinc/14/20/53/497142053.db2.gz CJNRHAVUWQATER-KEYYUXOJSA-N 0 3 361.467 3.169 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@](C)(CO)C(C)C)c1C#N ZINC000574945893 505888078 /nfs/dbraw/zinc/88/80/78/505888078.db2.gz GYXBMLUSJRJUAU-NRFANRHFSA-N 0 3 374.529 3.417 20 30 FGEDHN C[C@H](Cc1ccc(O)cc1)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192625498 497167584 /nfs/dbraw/zinc/16/75/84/497167584.db2.gz SIOBZURXXCVLNY-IIBYNOLFSA-N 0 3 363.461 3.322 20 30 FGEDHN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1CCN(C2CC2)CC1 ZINC000192675695 497181867 /nfs/dbraw/zinc/18/18/67/497181867.db2.gz GZHLKPQOKSFHSK-UHFFFAOYSA-N 0 3 350.384 3.048 20 30 FGEDHN N#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1cccc(Br)c1 ZINC000192797527 497217149 /nfs/dbraw/zinc/21/71/49/497217149.db2.gz NGFZSMPQVYGMMI-MRXNPFEDSA-N 0 3 362.271 3.004 20 30 FGEDHN COC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C#N)n1 ZINC000581022500 505892499 /nfs/dbraw/zinc/89/24/99/505892499.db2.gz XDTRKLQHODTJAN-NVXWUHKLSA-N 0 3 364.449 3.205 20 30 FGEDHN Cc1cccc(OC[C@H](O)CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000574964204 505892785 /nfs/dbraw/zinc/89/27/85/505892785.db2.gz BJPLABSZXYGGAN-MRXNPFEDSA-N 0 3 364.367 3.415 20 30 FGEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278824877 497233667 /nfs/dbraw/zinc/23/36/67/497233667.db2.gz STKZXXLFYGJXJO-SFTDATJTSA-N 0 3 363.461 3.409 20 30 FGEDHN CC(C)(C)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1O ZINC000278833654 497236397 /nfs/dbraw/zinc/23/63/97/497236397.db2.gz ACSXWRVNYVBDOS-RBUKOAKNSA-N 0 3 367.497 3.088 20 30 FGEDHN CCn1nccc1C1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000278867463 497248166 /nfs/dbraw/zinc/24/81/66/497248166.db2.gz LTZRSPGWEWNOCT-UHFFFAOYSA-N 0 3 354.454 3.042 20 30 FGEDHN C=CCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000581039462 505895615 /nfs/dbraw/zinc/89/56/15/505895615.db2.gz GABSFMBJIALFPA-IBGZPJMESA-N 0 3 351.498 3.366 20 30 FGEDHN COc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1OCCCC#N ZINC000271416705 497343395 /nfs/dbraw/zinc/34/33/95/497343395.db2.gz LEEUSCWPZPWSGR-KRWDZBQOSA-N 0 3 360.454 3.153 20 30 FGEDHN COc1ccc([C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000193348320 497356785 /nfs/dbraw/zinc/35/67/85/497356785.db2.gz AXNFBWGHSARUJN-DNVCBOLYSA-N 0 3 355.482 3.467 20 30 FGEDHN CC1(C)CN(C[C@H](O)COc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000190155341 497379706 /nfs/dbraw/zinc/37/97/06/497379706.db2.gz PFKBORQOSYCKPS-GOEBONIOSA-N 0 3 356.388 3.208 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000279261170 497385125 /nfs/dbraw/zinc/38/51/25/497385125.db2.gz MFVNMMQFSGXMIA-OLMNPRSZSA-N 0 3 359.857 3.087 20 30 FGEDHN CN(CCCSCC#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000266787912 497419537 /nfs/dbraw/zinc/41/95/37/497419537.db2.gz YZFQPBXHFFBUMM-ZDUSSCGKSA-N 0 3 362.417 3.024 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261634120 497424007 /nfs/dbraw/zinc/42/40/07/497424007.db2.gz FDWZBHLJFYWPKY-LSTHTHJFSA-N 0 3 369.534 3.078 20 30 FGEDHN C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC#N)cc1 ZINC000271771765 497444578 /nfs/dbraw/zinc/44/45/78/497444578.db2.gz DGCRLPYVJPRZGF-XMSQKQJNSA-N 0 3 365.477 3.141 20 30 FGEDHN CN1CC=C(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000271853375 497470835 /nfs/dbraw/zinc/47/08/35/497470835.db2.gz JJHYZTWUJPWQDU-UHFFFAOYSA-N 0 3 361.445 3.129 20 30 FGEDHN Cc1cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)nn1CCC#N ZINC000272107599 497538019 /nfs/dbraw/zinc/53/80/19/497538019.db2.gz PTOHHOYRMBVOFW-GOSISDBHSA-N 0 3 366.469 3.064 20 30 FGEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC2 ZINC000190613976 497546735 /nfs/dbraw/zinc/54/67/35/497546735.db2.gz DHDDBIIKQZVMPA-ZHRRBRCNSA-N 0 3 359.473 3.499 20 30 FGEDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1n1ccnc1 ZINC000245923915 497572573 /nfs/dbraw/zinc/57/25/73/497572573.db2.gz HJPNRZYLPSLHCX-OXJNMPFZSA-N 0 3 360.465 3.238 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)cc(-n3cccn3)c2)CC1 ZINC000280106974 497651386 /nfs/dbraw/zinc/65/13/86/497651386.db2.gz XPUCNYGMHCWHLA-UHFFFAOYSA-N 0 3 369.469 3.043 20 30 FGEDHN Cc1cnc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)s1 ZINC000280118244 497654548 /nfs/dbraw/zinc/65/45/48/497654548.db2.gz ULIUYGDXEAZALZ-GOSISDBHSA-N 0 3 364.474 3.412 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000280136414 497661027 /nfs/dbraw/zinc/66/10/27/497661027.db2.gz QUPUVSNFXVIFIQ-LPHOPBHVSA-N 0 3 363.392 3.410 20 30 FGEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1cnc2ccccc2n1 ZINC000190972290 497666121 /nfs/dbraw/zinc/66/61/21/497666121.db2.gz NJNOSEPNYWETRO-INIZCTEOSA-N 0 3 356.385 3.012 20 30 FGEDHN C=CCSCCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000194634064 497724658 /nfs/dbraw/zinc/72/46/58/497724658.db2.gz XEUHLIIRSAPFJA-SFHVURJKSA-N 0 3 363.527 3.051 20 30 FGEDHN Cc1ccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000280408440 497744143 /nfs/dbraw/zinc/74/41/43/497744143.db2.gz LGQXKPZOQDCQAH-KSSFIOAISA-N 0 3 362.389 3.335 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000280468671 497763001 /nfs/dbraw/zinc/76/30/01/497763001.db2.gz TUNXPAVOHDKLIG-CCKFTAQKSA-N 0 3 365.458 3.291 20 30 FGEDHN CN(Cc1cc(C#N)n(C)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000191272091 497763434 /nfs/dbraw/zinc/76/34/34/497763434.db2.gz SNHZXSSIHISINX-SJPCQFCGSA-N 0 3 358.486 3.259 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000268541580 497776651 /nfs/dbraw/zinc/77/66/51/497776651.db2.gz ZMUWWYNMECFDJJ-RHSMWYFYSA-N 0 3 351.410 3.184 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(CC)nc1C(F)(F)F)C(C)C ZINC000280532281 497781960 /nfs/dbraw/zinc/78/19/60/497781960.db2.gz CBDRYTOLNRTPIS-OAHLLOKOSA-N 0 3 372.435 3.350 20 30 FGEDHN CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS1 ZINC000277237744 497785133 /nfs/dbraw/zinc/78/51/33/497785133.db2.gz MWUCJLWXPCQZGB-KURKYZTESA-N 0 3 357.523 3.169 20 30 FGEDHN C[C@]1(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCO[C@H]1C1CC1 ZINC000329546937 497826909 /nfs/dbraw/zinc/82/69/09/497826909.db2.gz IHRDWHKAIBXELY-DYXWJJEUSA-N 0 3 357.498 3.285 20 30 FGEDHN N#Cc1cccc(CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000578389485 505928519 /nfs/dbraw/zinc/92/85/19/505928519.db2.gz SBKHMCPERFCCTE-NRFANRHFSA-N 0 3 362.477 3.237 20 30 FGEDHN CO[C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)c1ccc(O)cc1 ZINC000329607769 497843159 /nfs/dbraw/zinc/84/31/59/497843159.db2.gz ILVLPLJALUXZIS-QGZVFWFLSA-N 0 3 364.511 3.398 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCCC2(C)C)cc1 ZINC000334022571 497849534 /nfs/dbraw/zinc/84/95/34/497849534.db2.gz SVBFPXTUAVRHQR-BBRMVZONSA-N 0 3 363.483 3.463 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCN1Cc1ccccc1 ZINC000329679242 497865646 /nfs/dbraw/zinc/86/56/46/497865646.db2.gz XHQADVXRACMHHW-NXWXRZEISA-N 0 3 370.497 3.004 20 30 FGEDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000295982367 497878772 /nfs/dbraw/zinc/87/87/72/497878772.db2.gz JIRLVUIMHOZNEB-OALUTQOASA-N 0 3 356.514 3.046 20 30 FGEDHN Cc1ccc(OC[C@@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000581243524 505941804 /nfs/dbraw/zinc/94/18/04/505941804.db2.gz HYEPFSVSWFUWSJ-IBGZPJMESA-N 0 3 366.461 3.150 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000329750544 497887865 /nfs/dbraw/zinc/88/78/65/497887865.db2.gz VBPKEMMHDHULEN-GEALJGNFSA-N 0 3 357.498 3.283 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(c3cccc(F)c3)CC2)CC1 ZINC000364326406 497901010 /nfs/dbraw/zinc/90/10/10/497901010.db2.gz PARWUKHJDUEKKK-UHFFFAOYSA-N 0 3 374.504 3.134 20 30 FGEDHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H]2CCC[C@@H]2C1 ZINC000329787535 497901436 /nfs/dbraw/zinc/90/14/36/497901436.db2.gz YURMYQAYKXGGKP-MGPQQGTHSA-N 0 3 359.426 3.080 20 30 FGEDHN C[C@@H]1CC(CNC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@@H](C)O1 ZINC000329796481 497903974 /nfs/dbraw/zinc/90/39/74/497903974.db2.gz DVASTIONMMQTDU-YKCBXCCJSA-N 0 3 374.529 3.124 20 30 FGEDHN CCc1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cnn1-c1ccccc1 ZINC000329810811 497909592 /nfs/dbraw/zinc/90/95/92/497909592.db2.gz QXVZOLGAYCMPSB-KXBFYZLASA-N 0 3 353.470 3.006 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)C(F)(F)F ZINC000280832037 497914918 /nfs/dbraw/zinc/91/49/18/497914918.db2.gz WAANOHHWBBCFPQ-UHFFFAOYSA-N 0 3 355.404 3.427 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000329833631 497918689 /nfs/dbraw/zinc/91/86/89/497918689.db2.gz GPDBQHGNSUWOFS-HNNXBMFYSA-N 0 3 361.534 3.482 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccccc1 ZINC000581269016 505948035 /nfs/dbraw/zinc/94/80/35/505948035.db2.gz VBCZDSCAESOFSR-NRFANRHFSA-N 0 3 364.493 3.483 20 30 FGEDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1OCCCC#N ZINC000284848834 497922061 /nfs/dbraw/zinc/92/20/61/497922061.db2.gz DOHORLUUFOHZHD-GHTZIAJQSA-N 0 3 367.449 3.393 20 30 FGEDHN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000569513697 505952250 /nfs/dbraw/zinc/95/22/50/505952250.db2.gz NNCQUJITZYEVFM-CQSZACIVSA-N 0 3 353.422 3.082 20 30 FGEDHN CC[C@@H](NC(=O)Nc1cccc(N2CCN(CC)CC2)c1)C1CCOCC1 ZINC000329939258 497960959 /nfs/dbraw/zinc/96/09/59/497960959.db2.gz AWOIVWKWDNFZNL-HXUWFJFHSA-N 0 3 374.529 3.169 20 30 FGEDHN Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCCCN3C3CC3)cn2)n1 ZINC000329957782 497969781 /nfs/dbraw/zinc/96/97/81/497969781.db2.gz PPBNKEXNNQDVEP-GOSISDBHSA-N 0 3 353.470 3.206 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000285057369 497983135 /nfs/dbraw/zinc/98/31/35/497983135.db2.gz IBIZSBZEDKIVJB-NXEZZACHSA-N 0 3 350.267 3.160 20 30 FGEDHN CCn1c2ccccc2nc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281015977 497988867 /nfs/dbraw/zinc/98/88/67/497988867.db2.gz VLEMMDIFLXONRN-YJBOKZPZSA-N 0 3 371.444 3.488 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000296311102 497994119 /nfs/dbraw/zinc/99/41/19/497994119.db2.gz FMSFXELNELJJMK-HKUYNNGSSA-N 0 3 372.538 3.482 20 30 FGEDHN CC(C(=O)NCC1(c2ccccc2)CCC1)S(=O)(=O)C1CCOCC1 ZINC000330054648 498005619 /nfs/dbraw/zinc/00/56/19/498005619.db2.gz SILUNVFALHQDAA-OAHLLOKOSA-N 0 3 365.495 3.047 20 30 FGEDHN CC(C(=O)N[C@H]1CCCc2ccc(F)cc21)S(=O)(=O)C1CCOCC1 ZINC000330081127 498013182 /nfs/dbraw/zinc/01/31/82/498013182.db2.gz JVCCDNYSQSVAGR-PXAZEXFGSA-N 0 3 369.458 3.142 20 30 FGEDHN Cc1cc(C#N)nc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000569562244 505965488 /nfs/dbraw/zinc/96/54/88/505965488.db2.gz GFKQBNOFXSDERP-HNNXBMFYSA-N 0 3 361.371 3.362 20 30 FGEDHN CC1(C)[C@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2CCO[C@@H]21 ZINC000296388873 498024050 /nfs/dbraw/zinc/02/40/50/498024050.db2.gz UDWDHHRCUIQBKO-VHSSKADRSA-N 0 3 373.522 3.230 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@]2(C)CCCC[C@@H]2O)C1 ZINC000330121087 498028555 /nfs/dbraw/zinc/02/85/55/498028555.db2.gz BICAUIKGFBKYBI-SAJDGTNDSA-N 0 3 359.514 3.267 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cn(C(C)(C)C)nn3)c2)CC1 ZINC000330133150 498033531 /nfs/dbraw/zinc/03/35/31/498033531.db2.gz GHZQYOVPUXEZGB-UHFFFAOYSA-N 0 3 370.501 3.200 20 30 FGEDHN N#CCc1ccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000572478298 505978652 /nfs/dbraw/zinc/97/86/52/505978652.db2.gz HMXSPPSJQOIQHX-UHFFFAOYSA-N 0 3 354.498 3.160 20 30 FGEDHN CN(C)CCN(Cc1ccco1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000289402142 498133348 /nfs/dbraw/zinc/13/33/48/498133348.db2.gz GRAOGOMNFSKICS-UHFFFAOYSA-N 0 3 363.465 3.116 20 30 FGEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc(Br)c1OC ZINC000330479248 498139326 /nfs/dbraw/zinc/13/93/26/498139326.db2.gz YVHIOPREEAETCA-ZYHUDNBSSA-N 0 3 371.275 3.254 20 30 FGEDHN COc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000330829417 498201507 /nfs/dbraw/zinc/20/15/07/498201507.db2.gz XOKGGVUYSSMERK-UHFFFAOYSA-N 0 3 364.446 3.203 20 30 FGEDHN CC(C)(CNc1nccc(C#N)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000301648214 498206307 /nfs/dbraw/zinc/20/63/07/498206307.db2.gz OQDNIENSOLUAJX-UHFFFAOYSA-N 0 3 351.410 3.110 20 30 FGEDHN C[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CCN(C2CCC2)C1 ZINC000296934714 498256792 /nfs/dbraw/zinc/25/67/92/498256792.db2.gz QHRGRQCVNJLBHK-INIZCTEOSA-N 0 3 371.485 3.102 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CCC1(F)F ZINC000289757870 498279928 /nfs/dbraw/zinc/27/99/28/498279928.db2.gz KOBQZKIDESWTML-NSHDSACASA-N 0 3 353.438 3.414 20 30 FGEDHN Cc1cc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C#N)cc1N(C)C ZINC000331236215 498281532 /nfs/dbraw/zinc/28/15/32/498281532.db2.gz GEVDOLYRDMJULJ-OAHLLOKOSA-N 0 3 357.502 3.127 20 30 FGEDHN O=C(NCC1CCN(CCO)CC1)Nc1cc(Cl)c(Cl)cc1F ZINC000331292871 498294791 /nfs/dbraw/zinc/29/47/91/498294791.db2.gz LIYIXKBMJAPJHH-UHFFFAOYSA-N 0 3 364.248 3.163 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1Cl ZINC000569768148 506011567 /nfs/dbraw/zinc/01/15/67/506011567.db2.gz RIDSDJHXNHVMIX-QGZVFWFLSA-N 0 3 355.825 3.031 20 30 FGEDHN CN(C)CCN(Cc1nccn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000569768767 506011755 /nfs/dbraw/zinc/01/17/55/506011755.db2.gz PGAODISLBDZGDE-UHFFFAOYSA-N 0 3 359.477 3.308 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccco1 ZINC000575828142 506012688 /nfs/dbraw/zinc/01/26/88/506012688.db2.gz HRYRCDXOKSRDJP-YQQAZPJKSA-N 0 3 355.438 3.164 20 30 FGEDHN Cn1cc(CN[C@H]2CCN(C3CC3)[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000365129830 498312486 /nfs/dbraw/zinc/31/24/86/498312486.db2.gz DHBJUXPRLWTDQE-VQTJNVASSA-N 0 3 356.420 3.243 20 30 FGEDHN COc1ccc([C@@H]2[C@H](CNC(=O)NCCCCC#N)CCCN2C)cc1 ZINC000360962719 498327490 /nfs/dbraw/zinc/32/74/90/498327490.db2.gz QFNUGRLUIQWICM-PKOBYXMFSA-N 0 3 358.486 3.071 20 30 FGEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000331487631 498346900 /nfs/dbraw/zinc/34/69/00/498346900.db2.gz YAUNZSOIXOSKTB-GUXCAODWSA-N 0 3 355.482 3.214 20 30 FGEDHN COc1cccc(CN(CCN(C)C)Cc2ccc(C#N)c(OC)c2)c1 ZINC000572647759 506020402 /nfs/dbraw/zinc/02/04/02/506020402.db2.gz AVQFCAHSPODGPJ-UHFFFAOYSA-N 0 3 353.466 3.139 20 30 FGEDHN C=CCC(F)(F)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000293352462 498355372 /nfs/dbraw/zinc/35/53/72/498355372.db2.gz DRLLFCAPZZOWPJ-OAHLLOKOSA-N 0 3 350.409 3.302 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572650656 506021081 /nfs/dbraw/zinc/02/10/81/506021081.db2.gz PZFWSFULDODXRQ-IEBWSBKVSA-N 0 3 365.880 3.015 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@@H]2CCO)ccc1Cl ZINC000286322214 498362871 /nfs/dbraw/zinc/36/28/71/498362871.db2.gz WPUDCBKZKCAIBG-CRAIPNDOSA-N 0 3 363.889 3.036 20 30 FGEDHN COc1ccccc1C1CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000365311488 498399124 /nfs/dbraw/zinc/39/91/24/498399124.db2.gz XCHZJYMNRSTUGX-XBMUEBEBSA-N 0 3 359.429 3.312 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282203260 498421743 /nfs/dbraw/zinc/42/17/43/498421743.db2.gz XJHZTISSZNGBFX-GOSISDBHSA-N 0 3 350.466 3.479 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000282236935 498433435 /nfs/dbraw/zinc/43/34/35/498433435.db2.gz JUWNCRWYLKYYAW-KRWDZBQOSA-N 0 3 367.497 3.204 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1c(Cl)cccc1C#N ZINC000302446602 498485492 /nfs/dbraw/zinc/48/54/92/498485492.db2.gz OCTCWVFLRNBIRT-HXUWFJFHSA-N 0 3 355.869 3.285 20 30 FGEDHN C[C@@H](CNC[C@@H](O)COc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000572752751 506043890 /nfs/dbraw/zinc/04/38/90/506043890.db2.gz GWGFPFIMOYZXRA-WMLDXEAASA-N 0 3 360.841 3.008 20 30 FGEDHN CC1(c2ccccc2)CC(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569921054 506048169 /nfs/dbraw/zinc/04/81/69/506048169.db2.gz NRZWXMCOZMDEOL-UHFFFAOYSA-N 0 3 354.475 3.042 20 30 FGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000286951158 498566232 /nfs/dbraw/zinc/56/62/32/498566232.db2.gz JJTFBTRDBJGTGP-OCCSQVGLSA-N 0 3 364.396 3.250 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000365674439 498592169 /nfs/dbraw/zinc/59/21/69/498592169.db2.gz SCNPIVFWOOYTOQ-WOJBJXKFSA-N 0 3 352.482 3.095 20 30 FGEDHN N#Cc1cccc(C#N)c1NCCCCN1CCN(c2ccccc2)CC1 ZINC000302829794 498593048 /nfs/dbraw/zinc/59/30/48/498593048.db2.gz KCCJBXYUKZGEDY-UHFFFAOYSA-N 0 3 359.477 3.444 20 30 FGEDHN COc1ccc(CN(C)CCCn2ccnc2C)cc1OCCCC#N ZINC000290586852 498609234 /nfs/dbraw/zinc/60/92/34/498609234.db2.gz UZXBABFYSOEHCL-UHFFFAOYSA-N 0 3 356.470 3.405 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000303043319 498643417 /nfs/dbraw/zinc/64/34/17/498643417.db2.gz WTVOCQATWURRQE-HXUWFJFHSA-N 0 3 354.425 3.349 20 30 FGEDHN CN(C)[C@@H](CNCc1nc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000570011561 506067937 /nfs/dbraw/zinc/06/79/37/506067937.db2.gz HZAOUYPELPJFBL-AWEZNQCLSA-N 0 3 354.401 3.426 20 30 FGEDHN N#C[C@@]1(C(=O)NC2CCN(CCc3ccccc3)CC2)CC12CCCC2 ZINC000294301340 498649335 /nfs/dbraw/zinc/64/93/35/498649335.db2.gz CCUCODMDHBLFFC-JOCHJYFZSA-N 0 3 351.494 3.284 20 30 FGEDHN C[C@@]1(CNCCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000578996237 506069988 /nfs/dbraw/zinc/06/99/88/506069988.db2.gz IYAZPDREOMBSQC-PMACEKPBSA-N 0 3 354.475 3.115 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000579004470 506072104 /nfs/dbraw/zinc/07/21/04/506072104.db2.gz DFQOZOHPDFXQPD-VQIMIIECSA-N 0 3 363.465 3.470 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000303711178 498707681 /nfs/dbraw/zinc/70/76/81/498707681.db2.gz COPYOKNJWQMXOO-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN CCc1nc(CN2CCC[C@H](N[C@@H](C)c3ccc(C#N)cc3Cl)C2)no1 ZINC000366007243 498729568 /nfs/dbraw/zinc/72/95/68/498729568.db2.gz HYGNOWZNMRLYEX-ZFWWWQNUSA-N 0 3 373.888 3.472 20 30 FGEDHN CN(C)C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc(Cl)cc1 ZINC000282993256 498739035 /nfs/dbraw/zinc/73/90/35/498739035.db2.gz QOGHIJYFMMWONY-LJQANCHMSA-N 0 3 371.868 3.204 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000298344920 498739166 /nfs/dbraw/zinc/73/91/66/498739166.db2.gz GTBDSAXEOGCYTJ-VCOUNFBDSA-N 0 3 366.509 3.376 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000363360017 498778982 /nfs/dbraw/zinc/77/89/82/498778982.db2.gz BJDHWFCZDFWCIH-CRAIPNDOSA-N 0 3 356.857 3.353 20 30 FGEDHN C=CCc1cc(CN2CC[C@](CO)(c3ccccc3)C2)cc(OC)c1O ZINC000291157287 498820207 /nfs/dbraw/zinc/82/02/07/498820207.db2.gz BZARDWOFPKQRBU-QFIPXVFZSA-N 0 3 353.462 3.265 20 30 FGEDHN CN(Cc1ccc(OCC#N)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291162367 498823673 /nfs/dbraw/zinc/82/36/73/498823673.db2.gz MGAZGKQRRXTOGB-GOSISDBHSA-N 0 3 359.470 3.324 20 30 FGEDHN CC[C@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000291182484 498832658 /nfs/dbraw/zinc/83/26/58/498832658.db2.gz JXCSXNCFEKKDOR-NFBKMPQASA-N 0 3 373.456 3.235 20 30 FGEDHN CN(C(=O)Nc1cccc(C#N)c1)C1CCN(CCc2ccncc2)CC1 ZINC000363466214 498836228 /nfs/dbraw/zinc/83/62/28/498836228.db2.gz DBKHHOWWDKRSHI-UHFFFAOYSA-N 0 3 363.465 3.124 20 30 FGEDHN CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000573034335 506103195 /nfs/dbraw/zinc/10/31/95/506103195.db2.gz QXSYTSXCBICYBJ-YLJYHZDGSA-N 0 3 354.450 3.390 20 30 FGEDHN CC1CCN(C2CCC(NC(=O)C3(S(C)(=O)=O)CCCC3)CC2)CC1 ZINC000328666303 498895854 /nfs/dbraw/zinc/89/58/54/498895854.db2.gz ZULGMZGRYXDPQD-UHFFFAOYSA-N 0 3 370.559 3.343 20 30 FGEDHN O=C(NCCN1C(=O)Cc2ccccc21)[C@@H]1CCCCN1C1CCCC1 ZINC000328784400 498938193 /nfs/dbraw/zinc/93/81/93/498938193.db2.gz NWBUEQJRHDKPRF-IBGZPJMESA-N 0 3 355.482 3.329 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC000573088420 506116275 /nfs/dbraw/zinc/11/62/75/506116275.db2.gz JGQBXPPFYGMNHJ-ICSRJNTNSA-N 0 3 373.545 3.008 20 30 FGEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328821901 498949451 /nfs/dbraw/zinc/94/94/51/498949451.db2.gz PAGFNOXZLQYXNT-PLYYQAHHSA-N 0 3 366.889 3.487 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@H]1c1cccs1 ZINC000328830906 498953701 /nfs/dbraw/zinc/95/37/01/498953701.db2.gz KCDQVNPWOPACJE-XYVMCAHJSA-N 0 3 363.527 3.202 20 30 FGEDHN CN1CC[C@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@H]1c1ccccc1 ZINC000328886195 498973889 /nfs/dbraw/zinc/97/38/89/498973889.db2.gz NUNDCUKBZXWAER-QNBXZPKWSA-N 0 3 370.453 3.201 20 30 FGEDHN CC(C)N1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000328910428 498982446 /nfs/dbraw/zinc/98/24/46/498982446.db2.gz NLOBODABDVFVKB-NVXWUHKLSA-N 0 3 364.511 3.025 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(CC#N)cc1 ZINC000579224720 506123811 /nfs/dbraw/zinc/12/38/11/506123811.db2.gz BHZORDDZXSRXPZ-DYESRHJHSA-N 0 3 362.477 3.072 20 30 FGEDHN COc1ccc([C@H](O)C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000291600070 499007462 /nfs/dbraw/zinc/00/74/62/499007462.db2.gz BVTLQFNNCKWLKC-VXKWHMMOSA-N 0 3 366.461 3.046 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)[C@H]1CCCN1c1ncnc2sccc21 ZINC000329215401 499074194 /nfs/dbraw/zinc/07/41/94/499074194.db2.gz MPOPREVTSHVBPL-GOEBONIOSA-N 0 3 373.526 3.491 20 30 FGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000329251951 499084143 /nfs/dbraw/zinc/08/41/43/499084143.db2.gz VEIAWXUZUCILFZ-NSHDSACASA-N 0 3 358.408 3.384 20 30 FGEDHN C[C@@H](C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)N1CCCCCC1 ZINC000329272903 499088554 /nfs/dbraw/zinc/08/85/54/499088554.db2.gz JTAZXQAJZDIZKD-IMJJTQAJSA-N 0 3 362.474 3.388 20 30 FGEDHN CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@H]1c1cccs1 ZINC000329283456 499090768 /nfs/dbraw/zinc/09/07/68/499090768.db2.gz NJEJFFMQPWFMCF-CXTNEJHOSA-N 0 3 351.472 3.170 20 30 FGEDHN Cc1ccc2c(CCNC(=O)N3CCC[C@@H]4CN(C)CC[C@H]43)c[nH]c2c1 ZINC000329292354 499092584 /nfs/dbraw/zinc/09/25/84/499092584.db2.gz RENHMOMOJGVTGM-YLJYHZDGSA-N 0 3 354.498 3.349 20 30 FGEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000364043067 499096726 /nfs/dbraw/zinc/09/67/26/499096726.db2.gz QTUNUHRWANVZQO-RDTXWAMCSA-N 0 3 366.431 3.039 20 30 FGEDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N1CCC2(CCCC2)CC1 ZINC000329437782 499121840 /nfs/dbraw/zinc/12/18/40/499121840.db2.gz JIQKTWJEAHHZMJ-HXUWFJFHSA-N 0 3 371.525 3.323 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@@H]1C1CCOCC1 ZINC000329446775 499123048 /nfs/dbraw/zinc/12/30/48/499123048.db2.gz MBFDJSRTQNZAKV-HYVNUMGLSA-N 0 3 351.491 3.327 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)[C@H]2C1 ZINC000329458984 499124231 /nfs/dbraw/zinc/12/42/31/499124231.db2.gz RLKQGBBPZRWLAR-UTKZUKDTSA-N 0 3 360.461 3.468 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)[C@H]2C1 ZINC000329464324 499125279 /nfs/dbraw/zinc/12/52/79/499125279.db2.gz UVYJECBBAPLYKL-YJBOKZPZSA-N 0 3 352.438 3.445 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H](c2ccccn2)C2CCCC2)cc1 ZINC000367646239 499220918 /nfs/dbraw/zinc/22/09/18/499220918.db2.gz QIBFZTVWJKINDJ-RXVVDRJESA-N 0 3 351.450 3.214 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000367750946 499230799 /nfs/dbraw/zinc/23/07/99/499230799.db2.gz ACXJYNRMMGXQAQ-GOSISDBHSA-N 0 3 358.530 3.475 20 30 FGEDHN N#CCCCOc1cccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000367956286 499249281 /nfs/dbraw/zinc/24/92/81/499249281.db2.gz MITZLSPRZAVGLW-VQTJNVASSA-N 0 3 358.482 3.169 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(C(=O)Nc3cccnc3)CC2)cc1 ZINC000370753290 499251751 /nfs/dbraw/zinc/25/17/51/499251751.db2.gz HFYAUYWDLSNPDZ-UHFFFAOYSA-N 0 3 364.449 3.073 20 30 FGEDHN C=CCN(C(=O)N[C@H](C)C1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368388906 499291527 /nfs/dbraw/zinc/29/15/27/499291527.db2.gz DTUVJDSSCNXSAL-WIYYLYMNSA-N 0 3 371.525 3.274 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC23CCOCC3)c1 ZINC000368578001 499309617 /nfs/dbraw/zinc/30/96/17/499309617.db2.gz ZLYCHDFPFWMSOM-UHFFFAOYSA-N 0 3 355.482 3.195 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2C[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2)cc1 ZINC000371423305 499324994 /nfs/dbraw/zinc/32/49/94/499324994.db2.gz YDPIITCWKOWIGO-XKGZKEIXSA-N 0 3 369.509 3.446 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3ccc(C)nc3)CC2)CC1 ZINC000371733209 499359861 /nfs/dbraw/zinc/35/98/61/499359861.db2.gz KVCVNTQZSKQHQO-UHFFFAOYSA-N 0 3 356.514 3.320 20 30 FGEDHN CC(=O)c1ccc2c(c1)CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000369094631 499364888 /nfs/dbraw/zinc/36/48/88/499364888.db2.gz KZYLOZFMNCYDGR-QFIPXVFZSA-N 0 3 371.440 3.071 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000369399782 499399652 /nfs/dbraw/zinc/39/96/52/499399652.db2.gz DHMRNZHBVSBHTH-FQEVSTJZSA-N 0 3 357.498 3.104 20 30 FGEDHN C=CCOc1cccc(CN2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 ZINC000369518164 499411755 /nfs/dbraw/zinc/41/17/55/499411755.db2.gz JLWIXXLUXVMULI-KRWDZBQOSA-N 0 3 368.481 3.056 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000373261401 499460339 /nfs/dbraw/zinc/46/03/39/499460339.db2.gz PKMCXFBDRLCWQO-PWIZWCRZSA-N 0 3 357.498 3.095 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000373340365 499464142 /nfs/dbraw/zinc/46/41/42/499464142.db2.gz QERYFABZMVXYKF-QGZVFWFLSA-N 0 3 361.449 3.064 20 30 FGEDHN C=CCc1cc(CN2CC[C@]3(C2)c2ccccc2NC3=O)cc(OC)c1O ZINC000373536015 499475514 /nfs/dbraw/zinc/47/55/14/499475514.db2.gz UOSNQGYBZUCVRT-QFIPXVFZSA-N 0 3 364.445 3.225 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(F)(c2cccnc2)CC1 ZINC000375337690 499508389 /nfs/dbraw/zinc/50/83/89/499508389.db2.gz UBACOVGLMHQZEX-UHFFFAOYSA-N 0 3 358.442 3.304 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000378397562 499512041 /nfs/dbraw/zinc/51/20/41/499512041.db2.gz PDTFMKRNDAIARQ-HXUWFJFHSA-N 0 3 367.493 3.052 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(n2cc(Cl)cn2)CC1 ZINC000378595602 499535953 /nfs/dbraw/zinc/53/59/53/499535953.db2.gz ZEEXBDNGXHLYLM-UHFFFAOYSA-N 0 3 357.845 3.074 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)COc2ccccc2C#N)CCC1 ZINC000386706566 499549197 /nfs/dbraw/zinc/54/91/97/499549197.db2.gz VZPNJBIXYHCDGS-UHFFFAOYSA-N 0 3 363.461 3.108 20 30 FGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1CCCN1C ZINC000573233780 506149850 /nfs/dbraw/zinc/14/98/50/506149850.db2.gz OZNIHOYTJUEEGK-GJZGRUSLSA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000398051739 499566116 /nfs/dbraw/zinc/56/61/16/499566116.db2.gz XXPWGHMHXNRWJP-PBHICJAKSA-N 0 3 351.410 3.184 20 30 FGEDHN N#Cc1ccc(F)c(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000404219368 499570177 /nfs/dbraw/zinc/57/01/77/499570177.db2.gz YYERGTSLILBJLI-YADHBBJMSA-N 0 3 365.452 3.173 20 30 FGEDHN Cc1nnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(C#N)c1C ZINC000376011830 499576147 /nfs/dbraw/zinc/57/61/47/499576147.db2.gz BKPNHINEICLRBG-UHFFFAOYSA-N 0 3 353.392 3.182 20 30 FGEDHN Cc1cnc([C@@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)s1 ZINC000376091819 499582364 /nfs/dbraw/zinc/58/23/64/499582364.db2.gz CVHOJCAVLKJHRC-QZTJIDSGSA-N 0 3 364.474 3.412 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2NCc2cccnc2OCC(F)F)O1 ZINC000376178979 499589170 /nfs/dbraw/zinc/58/91/70/499589170.db2.gz WDZVENAGZSIQFN-WCVJEAGWSA-N 0 3 351.397 3.055 20 30 FGEDHN C=CCC[C@H](C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)c1ccccc1 ZINC000376340344 499601787 /nfs/dbraw/zinc/60/17/87/499601787.db2.gz WKGZOFTUHCLKFD-YADHBBJMSA-N 0 3 369.553 3.363 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NC/C=C/c3ccc(F)c(F)c3)C2=O)cc1 ZINC000377156131 499666588 /nfs/dbraw/zinc/66/65/88/499666588.db2.gz YDLRLDXNSPWQOB-ZGTHZTNPSA-N 0 3 367.399 3.240 20 30 FGEDHN N#Cc1ncc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000411035862 499691561 /nfs/dbraw/zinc/69/15/61/499691561.db2.gz VRSLHSCBFZNCGZ-OAHLLOKOSA-N 0 3 354.841 3.457 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000377546569 499703020 /nfs/dbraw/zinc/70/30/20/499703020.db2.gz GERANQWOWBKRER-OQIJWPOYSA-N 0 3 362.901 3.430 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377624560 499712126 /nfs/dbraw/zinc/71/21/26/499712126.db2.gz PQLJJXGAKUCLOO-BZUAXINKSA-N 0 3 374.510 3.066 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000377755354 499728794 /nfs/dbraw/zinc/72/87/94/499728794.db2.gz FVKLIPDEPACWSE-SUMWQHHRSA-N 0 3 373.478 3.169 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)[C@H](C)[C@@H]3C)sc2C1 ZINC000411429910 499739315 /nfs/dbraw/zinc/73/93/15/499739315.db2.gz NIOLJTKHHKZQGE-KFWWJZLASA-N 0 3 374.554 3.098 20 30 FGEDHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411572993 499764756 /nfs/dbraw/zinc/76/47/56/499764756.db2.gz ROMUHAIGKWXDPP-HNNXBMFYSA-N 0 3 363.870 3.233 20 30 FGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000411641222 499772255 /nfs/dbraw/zinc/77/22/55/499772255.db2.gz LQXNOIVBAILYAJ-AWEZNQCLSA-N 0 3 368.319 3.216 20 30 FGEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000411736769 499784676 /nfs/dbraw/zinc/78/46/76/499784676.db2.gz NJDNHPOFGAQYKM-SFHVURJKSA-N 0 3 357.479 3.298 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000411889091 499800482 /nfs/dbraw/zinc/80/04/82/499800482.db2.gz ZZOISEKDELUMFN-IBGZPJMESA-N 0 3 369.490 3.442 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412006562 499812111 /nfs/dbraw/zinc/81/21/11/499812111.db2.gz HRQKIINXRLVHMD-FQEVSTJZSA-N 0 3 357.498 3.022 20 30 FGEDHN C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)N1[C@H](C)CC[C@@H]1C ZINC000413121990 499916526 /nfs/dbraw/zinc/91/65/26/499916526.db2.gz XQEKAKODSQKUIA-ZWUHOBOKSA-N 0 3 364.287 3.391 20 30 FGEDHN CNCc1ccccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000415896223 499925558 /nfs/dbraw/zinc/92/55/58/499925558.db2.gz DAGXVNXRYZSDLQ-UHFFFAOYSA-N 0 3 363.465 3.022 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000413254995 499933031 /nfs/dbraw/zinc/93/30/31/499933031.db2.gz FJPCIOCBKDUYNC-LJQANCHMSA-N 0 3 373.541 3.362 20 30 FGEDHN CN(C)[C@@H](CC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000416149107 499959308 /nfs/dbraw/zinc/95/93/08/499959308.db2.gz VWRVTXLDBHQEEQ-KRWDZBQOSA-N 0 3 352.438 3.396 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1noc2ccc(F)cc12)C(C)C ZINC000416154536 499961173 /nfs/dbraw/zinc/96/11/73/499961173.db2.gz AVRPQRBKKYEONU-SFHVURJKSA-N 0 3 359.445 3.324 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416689530 500087272 /nfs/dbraw/zinc/08/72/72/500087272.db2.gz PICRHNMVVUZDBC-NRFANRHFSA-N 0 3 362.477 3.497 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000425398152 500094074 /nfs/dbraw/zinc/09/40/74/500094074.db2.gz BKXGTDQBFMRDMR-XIRDDKMYSA-N 0 3 351.516 3.021 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000425537187 500137065 /nfs/dbraw/zinc/13/70/65/500137065.db2.gz PWHUSOGPGJPLJD-AWEZNQCLSA-N 0 3 352.394 3.488 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429777640 500142485 /nfs/dbraw/zinc/14/24/85/500142485.db2.gz WHANGFIGSKCPDH-DOPJRALCSA-N 0 3 367.896 3.283 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429777641 500142792 /nfs/dbraw/zinc/14/27/92/500142792.db2.gz WHANGFIGSKCPDH-KKXDTOCCSA-N 0 3 367.896 3.283 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)o1 ZINC000429904863 500164565 /nfs/dbraw/zinc/16/45/65/500164565.db2.gz UEZOTMJEOSMGOA-UHFFFAOYSA-N 0 3 365.355 3.374 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000425853766 500205410 /nfs/dbraw/zinc/20/54/10/500205410.db2.gz JHBKOOODBXCDHD-VMXMFDLUSA-N 0 3 371.525 3.272 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(C#N)s1 ZINC000422209399 500234041 /nfs/dbraw/zinc/23/40/41/500234041.db2.gz AZCYTNYWFANLMZ-UHFFFAOYSA-N 0 3 360.458 3.032 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418137540 500235438 /nfs/dbraw/zinc/23/54/38/500235438.db2.gz RSUSKVYCCLCICN-ZCNNSNEGSA-N 0 3 353.466 3.120 20 30 FGEDHN COc1cc(CN2CC[C@H](O)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426161322 500242781 /nfs/dbraw/zinc/24/27/81/500242781.db2.gz NPIXOKCJWVPVQM-JXFKEZNVSA-N 0 3 366.461 3.349 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)[C@@H]2CCCC[C@H]2O)c1 ZINC000426214194 500248226 /nfs/dbraw/zinc/24/82/26/500248226.db2.gz FBSNXFIEOSCVKO-MISYRCLQSA-N 0 3 357.498 3.174 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)NCc2ccc(C#N)c(F)c2)cc1 ZINC000418269624 500258087 /nfs/dbraw/zinc/25/80/87/500258087.db2.gz SVJCYPIXYYCINE-LJQANCHMSA-N 0 3 354.429 3.320 20 30 FGEDHN C=CCC[C@H]1NC(=O)N(C[C@@H](c2ccccc2)N2CCC(C)CC2)C1=O ZINC000419950957 500409568 /nfs/dbraw/zinc/40/95/68/500409568.db2.gz MYCQEYFXGIGMFS-MOPGFXCFSA-N 0 3 355.482 3.346 20 30 FGEDHN C=CC[C@@H](C(=O)N1CC[C@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000427772210 500430169 /nfs/dbraw/zinc/43/01/69/500430169.db2.gz DDFSCGHPHQQJKR-LEWJYISDSA-N 0 3 356.510 3.450 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@@H](N)c2ccccc2CC)c(OC)c1 ZINC000423988561 500431023 /nfs/dbraw/zinc/43/10/23/500431023.db2.gz XRJGGSAIKIWXIQ-LJQANCHMSA-N 0 3 368.477 3.181 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000424060058 500445296 /nfs/dbraw/zinc/44/52/96/500445296.db2.gz GTVDMZQFFWWYGR-CYBMUJFWSA-N 0 3 366.252 3.198 20 30 FGEDHN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424093851 500451721 /nfs/dbraw/zinc/45/17/21/500451721.db2.gz SFQLYKBKVAJMDW-OAHLLOKOSA-N 0 3 364.877 3.218 20 30 FGEDHN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424104319 500454118 /nfs/dbraw/zinc/45/41/18/500454118.db2.gz UITSAQIONWKYOJ-KRWDZBQOSA-N 0 3 350.422 3.207 20 30 FGEDHN COc1ccc(CC[C@H]2CCCCN2C(=O)[C@H](N)CCCC#N)cc1OC ZINC000424117471 500456400 /nfs/dbraw/zinc/45/64/00/500456400.db2.gz YXJCJBCOTGYARK-QZTJIDSGSA-N 0 3 373.497 3.039 20 30 FGEDHN C[C@@H](CN(C)C(=O)[C@@H](N)CCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000424167750 500462572 /nfs/dbraw/zinc/46/25/72/500462572.db2.gz HOEORIASLHTEDF-NHYWBVRUSA-N 0 3 358.269 3.240 20 30 FGEDHN CC(C)(C#N)c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000428552452 500525797 /nfs/dbraw/zinc/52/57/97/500525797.db2.gz VHSKZDZXPRCUAP-FQEVSTJZSA-N 0 3 363.461 3.307 20 30 FGEDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCC(=O)Nc1ccccc1C#N ZINC000420929162 500533313 /nfs/dbraw/zinc/53/33/13/500533313.db2.gz PZGRCOMASVGQBC-NVXWUHKLSA-N 0 3 371.481 3.329 20 30 FGEDHN C=CCC1(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CCOCC1 ZINC000424700660 500545427 /nfs/dbraw/zinc/54/54/27/500545427.db2.gz SHQVWPOHWUNDJV-LJQANCHMSA-N 0 3 356.510 3.482 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@H](C)C1(OC)CCOCC1 ZINC000421024716 500557987 /nfs/dbraw/zinc/55/79/87/500557987.db2.gz CQWXMEZZPSSQLK-OAHLLOKOSA-N 0 3 364.511 3.077 20 30 FGEDHN C[C@@H](CCN1CC[C@H](Oc2ccc(C#N)cn2)C1)OCc1ccccc1 ZINC000428811422 500560950 /nfs/dbraw/zinc/56/09/50/500560950.db2.gz ZQBUTBTVDSQJIB-PXNSSMCTSA-N 0 3 351.450 3.402 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432865178 500580735 /nfs/dbraw/zinc/58/07/35/500580735.db2.gz HVPXJPDULYJYLQ-UHFFFAOYSA-N 0 3 371.506 3.221 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437138182 500606654 /nfs/dbraw/zinc/60/66/54/500606654.db2.gz PVCJIKTVPKEXAD-VDKWYEAUSA-N 0 3 361.445 3.206 20 30 FGEDHN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433015432 500606948 /nfs/dbraw/zinc/60/69/48/500606948.db2.gz KISAUORPDCSRQP-BHIYHBOVSA-N 0 3 370.497 3.416 20 30 FGEDHN Cc1cccc(CN2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)c1 ZINC000433108209 500627452 /nfs/dbraw/zinc/62/74/52/500627452.db2.gz ZPPFSOCSPMWOHY-JOCHJYFZSA-N 0 3 361.489 3.412 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000438052853 500731613 /nfs/dbraw/zinc/73/16/13/500731613.db2.gz JSIYDSDUZUFGBB-HBMCJLEFSA-N 0 3 371.525 3.412 20 30 FGEDHN C=CCOc1ccc(CN([C@@H](C)C(=O)NC(=O)NCC)C(C)(C)C)cc1 ZINC000438591482 500806279 /nfs/dbraw/zinc/80/62/79/500806279.db2.gz WHJRCJSDTVMKEO-HNNXBMFYSA-N 0 3 361.486 3.086 20 30 FGEDHN CCN(C(=O)c1ccc(C#N)n1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000448768675 500828627 /nfs/dbraw/zinc/82/86/27/500828627.db2.gz RGKNYFIFSHFPTA-APWZRJJASA-N 0 3 350.466 3.194 20 30 FGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448779748 500831842 /nfs/dbraw/zinc/83/18/42/500831842.db2.gz GVAURKUHQFVURN-STQMWFEESA-N 0 3 364.287 3.171 20 30 FGEDHN CCOC(=O)CC1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCC1 ZINC000434617551 500866756 /nfs/dbraw/zinc/86/67/56/500866756.db2.gz LTPNOFZCPOITJD-UHFFFAOYSA-N 0 3 363.845 3.006 20 30 FGEDHN N#Cc1cccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1Br ZINC000448937913 500874604 /nfs/dbraw/zinc/87/46/04/500874604.db2.gz RMASSVGHEZAIEB-CQSZACIVSA-N 0 3 362.271 3.021 20 30 FGEDHN N#CC(CCN1CCC(OCCO)CC1)(c1ccccc1)c1ccccc1 ZINC000444670786 500875550 /nfs/dbraw/zinc/87/55/50/500875550.db2.gz XJYMMKKKHLBZKZ-UHFFFAOYSA-N 0 3 364.489 3.360 20 30 FGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCOCc1ccccc1 ZINC000439467504 500900557 /nfs/dbraw/zinc/90/05/57/500900557.db2.gz JKNFVVPXJDZDPZ-SFHVURJKSA-N 0 3 357.498 3.256 20 30 FGEDHN COc1ccc(C2(NCCOc3cccc(C#N)c3)CCOCC2)cc1F ZINC000444801770 500903478 /nfs/dbraw/zinc/90/34/78/500903478.db2.gz MHGYSDLOHFFEGM-UHFFFAOYSA-N 0 3 370.424 3.380 20 30 FGEDHN C=CCCCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449291725 500968280 /nfs/dbraw/zinc/96/82/80/500968280.db2.gz NTXWNTQVLDTXBK-LBPRGKRZSA-N 0 3 355.276 3.018 20 30 FGEDHN C=C[C@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435511772 500987093 /nfs/dbraw/zinc/98/70/93/500987093.db2.gz QMEGAIQNRWRUFH-YJBOKZPZSA-N 0 3 353.470 3.335 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC2=CCOCC2)cc1OC ZINC000449402518 500994937 /nfs/dbraw/zinc/99/49/37/500994937.db2.gz MATDHTZEMAEWLJ-UHFFFAOYSA-N 0 3 368.271 3.459 20 30 FGEDHN C=CCOc1ccc(CN2CCC(n3cc(C(=O)OCC)cn3)CC2)cc1 ZINC000449408882 500996469 /nfs/dbraw/zinc/99/64/69/500996469.db2.gz MJZXQRNFYHGTOK-UHFFFAOYSA-N 0 3 369.465 3.462 20 30 FGEDHN C=CCOCC(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000440429310 501007879 /nfs/dbraw/zinc/00/78/79/501007879.db2.gz KOVAOVZVCSLBNR-QGZVFWFLSA-N 0 3 370.415 3.102 20 30 FGEDHN CS[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1N1CCCC1 ZINC000445608805 501010398 /nfs/dbraw/zinc/01/03/98/501010398.db2.gz DXEMHNAKJAOXFP-HZPDHXFCSA-N 0 3 366.328 3.337 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000435739283 501020821 /nfs/dbraw/zinc/02/08/21/501020821.db2.gz GDDHATVEMGCLRK-PXAZEXFGSA-N 0 3 350.825 3.131 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000435740817 501020867 /nfs/dbraw/zinc/02/08/67/501020867.db2.gz FYZMOBCEBBAMSF-BLLLJJGKSA-N 0 3 356.260 3.234 20 30 FGEDHN CO[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000449636848 501047130 /nfs/dbraw/zinc/04/71/30/501047130.db2.gz XIEWGYJUWROYHC-MOPGFXCFSA-N 0 3 350.466 3.348 20 30 FGEDHN COc1cc(CNC[C@H](c2ccc(C)cc2)N2CCOCC2)ccc1C#N ZINC000440812131 501051781 /nfs/dbraw/zinc/05/17/81/501051781.db2.gz URQWXUOTYBSXLN-OAQYLSRUSA-N 0 3 365.477 3.038 20 30 FGEDHN COc1cc(CNCCc2nc(-c3ccncc3)cs2)ccc1C#N ZINC000440821798 501053178 /nfs/dbraw/zinc/05/31/78/501053178.db2.gz NVHPFQFUKDSZFN-UHFFFAOYSA-N 0 3 350.447 3.418 20 30 FGEDHN C[C@H]1OCC[C@@H]1N(CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449676641 501059227 /nfs/dbraw/zinc/05/92/27/501059227.db2.gz IRIDVIULDFUXLV-VGSWGCGISA-N 0 3 366.461 3.109 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)CC1 ZINC000446199569 501088494 /nfs/dbraw/zinc/08/84/94/501088494.db2.gz BTYZYZWMZACNEY-UHFFFAOYSA-N 0 3 372.900 3.470 20 30 FGEDHN OCC1(NCC#Cc2ccc(OC(F)(F)F)cc2)Cc2ccccc2C1 ZINC000436268368 501098812 /nfs/dbraw/zinc/09/88/12/501098812.db2.gz GQTKBBIAFGVGHW-UHFFFAOYSA-N 0 3 361.363 3.056 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CSCCN(C)C)c1C#N ZINC000446569147 501134974 /nfs/dbraw/zinc/13/49/74/501134974.db2.gz KHBHQQVWFIBKIA-UHFFFAOYSA-N 0 3 356.495 3.199 20 30 FGEDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000450052461 501165771 /nfs/dbraw/zinc/16/57/71/501165771.db2.gz LNEISICSVFIFOI-UONOGXRCSA-N 0 3 362.271 3.020 20 30 FGEDHN CCOc1cc(NC2CCN(Cc3ccc(C#N)c(C)c3)CC2)ncn1 ZINC000446802923 501166540 /nfs/dbraw/zinc/16/65/40/501166540.db2.gz SHBMMTVDJMJOPS-UHFFFAOYSA-N 0 3 351.454 3.132 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442052902 501193730 /nfs/dbraw/zinc/19/37/30/501193730.db2.gz HIIKSQCGMUHXDB-LBPRGKRZSA-N 0 3 370.375 3.453 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCCN1C ZINC000442065785 501194659 /nfs/dbraw/zinc/19/46/59/501194659.db2.gz WQASNWQKOIDVJZ-GWCFXTLKSA-N 0 3 356.348 3.061 20 30 FGEDHN CS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1C(F)(F)F ZINC000447088999 501203820 /nfs/dbraw/zinc/20/38/20/501203820.db2.gz UMWNCIAIDLOTLE-DGCLKSJQSA-N 0 3 360.401 3.281 20 30 FGEDHN COCC[C@]1(NCc2cccc(OCc3ccccc3C#N)c2)CCOC1 ZINC000447104080 501205268 /nfs/dbraw/zinc/20/52/68/501205268.db2.gz ZEZBUXWACYREEX-QFIPXVFZSA-N 0 3 366.461 3.422 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100609 501245714 /nfs/dbraw/zinc/24/57/14/501245714.db2.gz VWQWHRXFBOBJNK-KXBFYZLASA-N 0 3 356.422 3.414 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@](CO)(C(C)C)C1)C(C)C ZINC000457751822 501301180 /nfs/dbraw/zinc/30/11/80/501301180.db2.gz PKELJLWHWWUJNW-CTNGQTDRSA-N 0 3 365.562 3.125 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@](CO)(C(C)C)C1)C(C)C ZINC000457751827 501301285 /nfs/dbraw/zinc/30/12/85/501301285.db2.gz PKELJLWHWWUJNW-PZJWPPBQSA-N 0 3 365.562 3.125 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000453383810 501323036 /nfs/dbraw/zinc/32/30/36/501323036.db2.gz MRESHRZUPJJXEV-ZDUSSCGKSA-N 0 3 361.442 3.310 20 30 FGEDHN C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000453445217 501333471 /nfs/dbraw/zinc/33/34/71/501333471.db2.gz UILDTKWTFGIHTD-QGZVFWFLSA-N 0 3 361.534 3.264 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000451607384 501335870 /nfs/dbraw/zinc/33/58/70/501335870.db2.gz PZAZDHGXWMSRKJ-UXHICEINSA-N 0 3 352.434 3.137 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000453458568 501337784 /nfs/dbraw/zinc/33/77/84/501337784.db2.gz AQGANJQVTSRSJX-KRWDZBQOSA-N 0 3 361.534 3.264 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000451771956 501369641 /nfs/dbraw/zinc/36/96/41/501369641.db2.gz UFXCCXJEQIYVPE-IBGZPJMESA-N 0 3 354.454 3.015 20 30 FGEDHN CN1CC[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000455766255 501381722 /nfs/dbraw/zinc/38/17/22/501381722.db2.gz TUGXXJYZCORYSV-NVXWUHKLSA-N 0 3 355.829 3.174 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458328271 501421004 /nfs/dbraw/zinc/42/10/04/501421004.db2.gz WKANCLWUBXEDMW-CQSZACIVSA-N 0 3 371.412 3.044 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000454254693 501492767 /nfs/dbraw/zinc/49/27/67/501492767.db2.gz ATVSFUXDOMGPRP-IKGGRYGDSA-N 0 3 351.516 3.164 20 30 FGEDHN C=C[C@](C)(O)CC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000452449197 501503010 /nfs/dbraw/zinc/50/30/10/501503010.db2.gz AYLPEGRZHCMXAC-GMAHTHKFSA-N 0 3 370.537 3.463 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)C1CC1 ZINC000458872741 501550011 /nfs/dbraw/zinc/55/00/11/501550011.db2.gz VBFZIAQMCCAFHG-UHFFFAOYSA-N 0 3 356.514 3.458 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N2CCC(F)(C#N)CC2)N(C)C)cc1 ZINC000458912307 501558296 /nfs/dbraw/zinc/55/82/96/501558296.db2.gz ZWJMZTRCUIIRQT-MRXNPFEDSA-N 0 3 364.490 3.048 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459048153 501583005 /nfs/dbraw/zinc/58/30/05/501583005.db2.gz TYXKPWRYPVYBRX-AQNXPRMDSA-N 0 3 357.498 3.026 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccsc2)cc1 ZINC000588292168 506262314 /nfs/dbraw/zinc/26/23/14/506262314.db2.gz BYPRLHMYEJABAB-NWDGAFQWSA-N 0 3 363.464 3.317 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598986668 506262286 /nfs/dbraw/zinc/26/22/86/506262286.db2.gz KFSGJMQBYLQBMG-IBGZPJMESA-N 0 3 354.498 3.085 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000582506066 506262414 /nfs/dbraw/zinc/26/24/14/506262414.db2.gz LDJZINBPEGCHDH-UWJYYQICSA-N 0 3 362.477 3.363 20 30 FGEDHN CC#CCNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000454745166 501620443 /nfs/dbraw/zinc/62/04/43/501620443.db2.gz WNEVFCMYPHBZEK-HXUWFJFHSA-N 0 3 353.510 3.342 20 30 FGEDHN N#CCCn1cc(CNC[C@@H]2Cc3ccccc3CO2)c(-c2ccncc2)n1 ZINC000598988796 506264386 /nfs/dbraw/zinc/26/43/86/506264386.db2.gz ARKYKEWOLPGFCD-NRFANRHFSA-N 0 3 373.460 3.090 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000454953402 501661043 /nfs/dbraw/zinc/66/10/43/501661043.db2.gz CMPWBOYRWZURID-QRWLVFNGSA-N 0 3 366.440 3.160 20 30 FGEDHN Cc1nsc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1C#N ZINC000459571925 501678997 /nfs/dbraw/zinc/67/89/97/501678997.db2.gz DIBVTBVVEVZLSK-CQSZACIVSA-N 0 3 369.494 3.452 20 30 FGEDHN CO[C@H]1C[C@@H](NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC000459753778 501709078 /nfs/dbraw/zinc/70/90/78/501709078.db2.gz NWFZIJVZZPAFAM-MOPGFXCFSA-N 0 3 355.482 3.097 20 30 FGEDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC000459779875 501713277 /nfs/dbraw/zinc/71/32/77/501713277.db2.gz XAAOTMUMCCPASO-YZGWKJHDSA-N 0 3 369.509 3.486 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N(C)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000457559391 501721014 /nfs/dbraw/zinc/72/10/14/501721014.db2.gz PFQSZZDCFWLABR-SFHVURJKSA-N 0 3 360.502 3.269 20 30 FGEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000467203517 501735562 /nfs/dbraw/zinc/73/55/62/501735562.db2.gz APOKFBFZUOXSKD-PBHICJAKSA-N 0 3 352.400 3.294 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CNc1ccc(C#N)cc1 ZINC000470594204 501738715 /nfs/dbraw/zinc/73/87/15/501738715.db2.gz IRSRWANCHRUDEV-OAQYLSRUSA-N 0 3 364.493 3.243 20 30 FGEDHN N#CCCN(C(=O)CNC1(CCO)CCCCC1)c1cccc(Cl)c1 ZINC000474279570 501773650 /nfs/dbraw/zinc/77/36/50/501773650.db2.gz ZALKQQQYLFIEQN-UHFFFAOYSA-N 0 3 363.889 3.262 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CN1Cc1ccccc1 ZINC000467475634 501804767 /nfs/dbraw/zinc/80/47/67/501804767.db2.gz YGFACQKUUCCJEE-KDOFPFPSSA-N 0 3 352.413 3.482 20 30 FGEDHN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471059386 501905042 /nfs/dbraw/zinc/90/50/42/501905042.db2.gz NGSIOWFZKRYNAW-IBGZPJMESA-N 0 3 369.428 3.289 20 30 FGEDHN CN(C)CCn1ncc(C(=O)Nc2ccc(C#N)cc2)c1-c1ccccc1 ZINC000485728501 501916991 /nfs/dbraw/zinc/91/69/91/501916991.db2.gz WJDFHNCLDFFUAF-UHFFFAOYSA-N 0 3 359.433 3.236 20 30 FGEDHN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000471099000 501919139 /nfs/dbraw/zinc/91/91/39/501919139.db2.gz QJERYHFPNVYQIW-JBACZVJFSA-N 0 3 359.429 3.312 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460777265 501919301 /nfs/dbraw/zinc/91/93/01/501919301.db2.gz ZGNMSDFEEJJYLQ-MRXNPFEDSA-N 0 3 355.461 3.333 20 30 FGEDHN N#CCCCCNCc1c(F)ccc(I)c1F ZINC000474732435 501936103 /nfs/dbraw/zinc/93/61/03/501936103.db2.gz XXRAXTZVAPJURX-UHFFFAOYSA-N 0 3 350.150 3.353 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C[C@H]1C ZINC000460920291 501958463 /nfs/dbraw/zinc/95/84/63/501958463.db2.gz BFYIPIWOMYVWPB-IAGOWNOFSA-N 0 3 366.513 3.392 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(C#N)cc1)N(C)C ZINC000478490061 501998526 /nfs/dbraw/zinc/99/85/26/501998526.db2.gz UEUSYHZIGKGXJO-OXJNMPFZSA-N 0 3 350.466 3.357 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000582550836 506288681 /nfs/dbraw/zinc/28/86/81/506288681.db2.gz XSZHJNMPIIOKND-NRFANRHFSA-N 0 3 364.449 3.353 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCS[C@H](C(C)C)C2)c(OC)c1 ZINC000464775405 502090574 /nfs/dbraw/zinc/09/05/74/502090574.db2.gz QTGPVWPAIPYSOZ-XLIONFOSSA-N 0 3 365.539 3.237 20 30 FGEDHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000464932824 502149431 /nfs/dbraw/zinc/14/94/31/502149431.db2.gz DSARNIROUSQYDV-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](c2c(F)cccc2Cl)N(C)C)CC1 ZINC000468790979 502184312 /nfs/dbraw/zinc/18/43/12/502184312.db2.gz BYDYKGRTQNLOQL-SFHVURJKSA-N 0 3 367.896 3.239 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc4ccc(F)cc4[nH]3)C2=O)cc1 ZINC000486719452 502242807 /nfs/dbraw/zinc/24/28/07/502242807.db2.gz XBIYBMBCBNGAMH-IBGZPJMESA-N 0 3 362.408 3.464 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC2(CCOCC2)C1)C(C)C ZINC000465544054 502300319 /nfs/dbraw/zinc/30/03/19/502300319.db2.gz LIOQNUBWMOXGIG-LJQANCHMSA-N 0 3 363.546 3.287 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2nc(C)n(C)c2c1)C(C)C ZINC000476029513 502363308 /nfs/dbraw/zinc/36/33/08/502363308.db2.gz FVSWDLAURQLOJV-FQEVSTJZSA-N 0 3 354.498 3.310 20 30 FGEDHN Cc1nc(SCC(=O)N[C@@H](C)CN2CCCCCC2)c(C#N)c(C)c1C ZINC000479792416 502379399 /nfs/dbraw/zinc/37/93/99/502379399.db2.gz KGJYOWMAHDHTCM-AWEZNQCLSA-N 0 3 374.554 3.351 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(F)ccc1-n1cccn1 ZINC000483434445 502390695 /nfs/dbraw/zinc/39/06/95/502390695.db2.gz DEXFWMNECPSSKL-HNNXBMFYSA-N 0 3 359.364 3.388 20 30 FGEDHN CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CCN(C2CC2)C1 ZINC000469389279 502396358 /nfs/dbraw/zinc/39/63/58/502396358.db2.gz UGHUZMXBJQZVMG-QGZVFWFLSA-N 0 3 350.466 3.254 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCN1C ZINC000466033997 502461191 /nfs/dbraw/zinc/46/11/91/502461191.db2.gz DRANXCSINANOGW-FZMZJTMJSA-N 0 3 370.375 3.104 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 ZINC000487593621 502486704 /nfs/dbraw/zinc/48/67/04/502486704.db2.gz RJTRUTAXXHFXQJ-SFHVURJKSA-N 0 3 365.477 3.224 20 30 FGEDHN CN1CCN(c2cccc(Cl)c2CNCCc2cccc(C#N)c2)CC1 ZINC000466412485 502563068 /nfs/dbraw/zinc/56/30/68/502563068.db2.gz QYRJEWHVCLGBKG-UHFFFAOYSA-N 0 3 368.912 3.296 20 30 FGEDHN CN(Cc1ccc(C#N)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000484078336 502564141 /nfs/dbraw/zinc/56/41/41/502564141.db2.gz CZKPTDQMHKWMHM-UHFFFAOYSA-N 0 3 351.425 3.434 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000473364274 502571988 /nfs/dbraw/zinc/57/19/88/502571988.db2.gz ZYDGYHSOFSAZBG-UHFFFAOYSA-N 0 3 353.466 3.241 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000484646106 502694110 /nfs/dbraw/zinc/69/41/10/502694110.db2.gz ODWXGLBZVHCIOT-QFUCXCTJSA-N 0 3 355.482 3.083 20 30 FGEDHN C=CCCCN(C)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000477163410 502696551 /nfs/dbraw/zinc/69/65/51/502696551.db2.gz NLOXIDHZEGEYMZ-HXUWFJFHSA-N 0 3 371.525 3.000 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C)CCCCC2)cc1 ZINC000480996646 502723818 /nfs/dbraw/zinc/72/38/18/502723818.db2.gz FAODKCVMNFOYIL-CQSZACIVSA-N 0 3 363.483 3.464 20 30 FGEDHN CCc1nnc(C2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)[nH]1 ZINC000484737462 502725402 /nfs/dbraw/zinc/72/54/02/502725402.db2.gz OCSOZYNKRVOYBQ-UHFFFAOYSA-N 0 3 361.396 3.220 20 30 FGEDHN CCN1[C@H](C)CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000602875155 506333619 /nfs/dbraw/zinc/33/36/19/506333619.db2.gz WXBAOHAZMSUMKR-BBWFWOEESA-N 0 3 374.554 3.434 20 30 FGEDHN N#Cc1cccc(OCCN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463444496 502808279 /nfs/dbraw/zinc/80/82/79/502808279.db2.gz SCNGWDMULKBIFT-JOCHJYFZSA-N 0 3 350.462 3.254 20 30 FGEDHN C=CCOc1ccccc1CN[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 ZINC000513059692 502842292 /nfs/dbraw/zinc/84/22/92/502842292.db2.gz XCYJHHRGVZLAEG-UONOGXRCSA-N 0 3 374.510 3.418 20 30 FGEDHN C[C@H](NC(=O)Nc1cccc(OCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000505305110 502885338 /nfs/dbraw/zinc/88/53/38/502885338.db2.gz RHPSFEKBXFLLHD-HNNXBMFYSA-N 0 3 352.438 3.381 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000505307971 502886547 /nfs/dbraw/zinc/88/65/47/502886547.db2.gz LJLDXSGYMYUBHZ-SFHVURJKSA-N 0 3 351.425 3.021 20 30 FGEDHN Cn1cnc(-c2ccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000505329501 502889705 /nfs/dbraw/zinc/88/97/05/502889705.db2.gz NBMBKTMBZXSVMJ-CQSZACIVSA-N 0 3 371.322 3.386 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000505443048 502904940 /nfs/dbraw/zinc/90/49/40/502904940.db2.gz BPRFUSXWQOBYJD-AWEZNQCLSA-N 0 3 350.403 3.460 20 30 FGEDHN C[C@H](NCC#CCN[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513415681 502932219 /nfs/dbraw/zinc/93/22/19/502932219.db2.gz KMOJSYXTNKZDJK-HOTGVXAUSA-N 0 3 372.476 3.444 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccco1 ZINC000509602199 502945697 /nfs/dbraw/zinc/94/56/97/502945697.db2.gz NDXPVOPUAVDFIW-YJBOKZPZSA-N 0 3 354.454 3.422 20 30 FGEDHN CC(C#N)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000497487621 502970233 /nfs/dbraw/zinc/97/02/33/502970233.db2.gz FCEJJJIVWZVWFE-MRVPVSSYSA-N 0 3 365.149 3.123 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000509839420 502994887 /nfs/dbraw/zinc/99/48/87/502994887.db2.gz MLUYSSPKPUGYFY-OAHLLOKOSA-N 0 3 371.481 3.330 20 30 FGEDHN C=C(C)CN(CC)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000505890523 503007043 /nfs/dbraw/zinc/00/70/43/503007043.db2.gz BZDFGVHHOKDJGS-UHFFFAOYSA-N 0 3 352.906 3.449 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(F)c1C#N ZINC000489699583 503014492 /nfs/dbraw/zinc/01/44/92/503014492.db2.gz HDUMLGHAHPATKJ-YWZLYKJASA-N 0 3 351.425 3.338 20 30 FGEDHN N#Cc1ccc(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000602910305 506348212 /nfs/dbraw/zinc/34/82/12/506348212.db2.gz PYNASCKJZLTFJO-UHFFFAOYSA-N 0 3 352.394 3.120 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000510441539 503116270 /nfs/dbraw/zinc/11/62/70/503116270.db2.gz HYHGKUFBQDRJLA-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(NC(=O)NCC)ccc2C)CC1 ZINC000490352408 503159718 /nfs/dbraw/zinc/15/97/18/503159718.db2.gz JZJLBIUVZWDDDE-UHFFFAOYSA-N 0 3 373.501 3.298 20 30 FGEDHN C[C@@H](Oc1ccccc1F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498382400 503174827 /nfs/dbraw/zinc/17/48/27/503174827.db2.gz LRUYUKRFLFIBDX-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1cc(C#N)ccc1F)N(C)C ZINC000498403195 503179807 /nfs/dbraw/zinc/17/98/07/503179807.db2.gz HXBMJFZUKCQLKJ-MGPUTAFESA-N 0 3 368.456 3.496 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)c1ccco1 ZINC000498406474 503180581 /nfs/dbraw/zinc/18/05/81/503180581.db2.gz BGGZWFMCQBIDSP-GUYCJALGSA-N 0 3 358.417 3.219 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502328121 503180661 /nfs/dbraw/zinc/18/06/61/503180661.db2.gz PPPYTJOGPNEYJW-QGZVFWFLSA-N 0 3 352.482 3.089 20 30 FGEDHN CN(CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000502327496 503180815 /nfs/dbraw/zinc/18/08/15/503180815.db2.gz NSZWNRCYVTUJKW-UHFFFAOYSA-N 0 3 374.488 3.489 20 30 FGEDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000593046862 506358425 /nfs/dbraw/zinc/35/84/25/506358425.db2.gz UHJWPYOWOPDBOB-RBBKRZOGSA-N 0 3 368.452 3.295 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000507182775 503245395 /nfs/dbraw/zinc/24/53/95/503245395.db2.gz NPFGGAOOCKGRQF-NRFANRHFSA-N 0 3 368.452 3.392 20 30 FGEDHN C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CN1Cc1ccccc1 ZINC000582682934 506363320 /nfs/dbraw/zinc/36/33/20/506363320.db2.gz HKIVUBWHRZQZND-GUYCJALGSA-N 0 3 351.410 3.124 20 30 FGEDHN CC(C)[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000515415096 503333778 /nfs/dbraw/zinc/33/37/78/503333778.db2.gz OXVCJAVIKUMGCP-OXJNMPFZSA-N 0 3 364.449 3.161 20 30 FGEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000515415059 503334016 /nfs/dbraw/zinc/33/40/16/503334016.db2.gz OHHONASHWSSZFK-HKUYNNGSSA-N 0 3 353.466 3.336 20 30 FGEDHN C[C@H](N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)N(C)CCC#N ZINC000511587623 503349390 /nfs/dbraw/zinc/34/93/90/503349390.db2.gz LDIJUTWQHNUEAZ-LRDDRELGSA-N 0 3 369.387 3.386 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(c2ccccc2C)CCCCC1 ZINC000507864570 503383358 /nfs/dbraw/zinc/38/33/58/503383358.db2.gz OJOKDJHJHABHTF-QGZVFWFLSA-N 0 3 357.498 3.187 20 30 FGEDHN N#Cc1c(F)cccc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593068001 506371115 /nfs/dbraw/zinc/37/11/15/506371115.db2.gz OGEGRVVEFNDRBY-VXKWHMMOSA-N 0 3 365.452 3.173 20 30 FGEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000515993202 503429696 /nfs/dbraw/zinc/42/96/96/503429696.db2.gz NCZVLNQVOJGPOV-HXUWFJFHSA-N 0 3 367.518 3.081 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503526495 503430438 /nfs/dbraw/zinc/43/04/38/503430438.db2.gz PJSUTFGPVQEYIL-SJORKVTESA-N 0 3 355.463 3.286 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@]2(C)CCO[C@H]2C)c1C#N ZINC000494234422 503509672 /nfs/dbraw/zinc/50/96/72/503509672.db2.gz PIPPIRVDKWXSKS-KKSFZXQISA-N 0 3 366.465 3.061 20 30 FGEDHN CCCN(CCN1CCCC1)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000512420986 503544886 /nfs/dbraw/zinc/54/48/86/503544886.db2.gz OXCPHGFXAHWMQR-UHFFFAOYSA-N 0 3 370.541 3.358 20 30 FGEDHN C=CCOc1ccc(CN(C)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000508814445 503568765 /nfs/dbraw/zinc/56/87/65/503568765.db2.gz VXTXRPFSOYKKEY-UHFFFAOYSA-N 0 3 364.445 3.370 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nnc(C)o1 ZINC000512516095 503575144 /nfs/dbraw/zinc/57/51/44/503575144.db2.gz ZNUMLJKVXLGFGC-ZDUSSCGKSA-N 0 3 362.503 3.037 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H](CO)Cc2ccc(F)cc2)ccc1OC ZINC000500250574 503588707 /nfs/dbraw/zinc/58/87/07/503588707.db2.gz OUEHNKROVKSVDK-LJQANCHMSA-N 0 3 359.441 3.482 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc(OC)c1OC ZINC000512646096 503601969 /nfs/dbraw/zinc/60/19/69/503601969.db2.gz SSOQBTHQWIUVQH-JYJNAYRXSA-N 0 3 360.498 3.310 20 30 FGEDHN C[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C#N)cc1F ZINC000512671197 503608827 /nfs/dbraw/zinc/60/88/27/503608827.db2.gz DSUHYBYHJLAUIW-QGZVFWFLSA-N 0 3 366.484 3.296 20 30 FGEDHN COc1ccc(CNC(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000512682821 503611703 /nfs/dbraw/zinc/61/17/03/503611703.db2.gz ISTOUVURQNDYRI-UHFFFAOYSA-N 0 3 363.461 3.095 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000500394002 503613403 /nfs/dbraw/zinc/61/34/03/503613403.db2.gz ZSICOUHCSQVNQU-NRFANRHFSA-N 0 3 363.461 3.442 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000516964716 503633095 /nfs/dbraw/zinc/63/30/95/503633095.db2.gz DOZDJSNQSUQRTH-NHYWBVRUSA-N 0 3 353.253 3.255 20 30 FGEDHN N#Cc1ncn(CCNCc2ccc(Oc3cc(F)cc(F)c3)cc2)n1 ZINC000512892353 503650595 /nfs/dbraw/zinc/65/05/95/503650595.db2.gz VGWHWTQUOYCIPY-UHFFFAOYSA-N 0 3 355.348 3.010 20 30 FGEDHN CS[C@@H]1CN(c2cccc(Br)c2C#N)C[C@H]1N1CCCC1 ZINC000517063707 503652327 /nfs/dbraw/zinc/65/23/27/503652327.db2.gz NAZWQDRIHZWZSI-HZPDHXFCSA-N 0 3 366.328 3.337 20 30 FGEDHN C[C@@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)Oc1ccc(Cl)cc1 ZINC000517127922 503674710 /nfs/dbraw/zinc/67/47/10/503674710.db2.gz RNQHKHYANMPGPE-MAUKXSAKSA-N 0 3 374.868 3.203 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000527128361 503690631 /nfs/dbraw/zinc/69/06/31/503690631.db2.gz HXVCXFNPZPGZRJ-HOTGVXAUSA-N 0 3 365.399 3.494 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000533080233 503724168 /nfs/dbraw/zinc/72/41/68/503724168.db2.gz GJEYAHACNBOJGK-CEXWTWQISA-N 0 3 355.482 3.070 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCC1 ZINC000527377769 503783312 /nfs/dbraw/zinc/78/33/12/503783312.db2.gz AIVRCJNVSSTMEX-GDBMZVCRSA-N 0 3 365.399 3.494 20 30 FGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H](c2ccccc2)C(C)C)CC1 ZINC000537047442 503788837 /nfs/dbraw/zinc/78/88/37/503788837.db2.gz MDFZMWPZDAEIJV-UNMCSNQZSA-N 0 3 370.541 3.008 20 30 FGEDHN COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000543479160 503789233 /nfs/dbraw/zinc/78/92/33/503789233.db2.gz RRTYERWVTZZHID-SFHVURJKSA-N 0 3 358.486 3.045 20 30 FGEDHN CC[C@@H]1CCCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000540548305 503813799 /nfs/dbraw/zinc/81/37/99/503813799.db2.gz DIDUQKLOGRLRSB-MSOLQXFVSA-N 0 3 374.554 3.112 20 30 FGEDHN CC(C)(C)[C@@H](COc1ccccc1F)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000540591906 503827084 /nfs/dbraw/zinc/82/70/84/503827084.db2.gz LJLDCJPAXQCWEH-XLIONFOSSA-N 0 3 361.461 3.017 20 30 FGEDHN Cc1cc(C)c(C(=O)NC2CCN(CCCC3(C#N)CCOCC3)CC2)o1 ZINC000527576849 503839593 /nfs/dbraw/zinc/83/95/93/503839593.db2.gz GPYKVVFKPVHSIT-UHFFFAOYSA-N 0 3 373.497 3.191 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533639187 503910266 /nfs/dbraw/zinc/91/02/66/503910266.db2.gz XGOZBIFNDSQEGS-IEBWSBKVSA-N 0 3 357.816 3.412 20 30 FGEDHN COc1ccc2c(c1)[C@H](N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000540953402 503952870 /nfs/dbraw/zinc/95/28/70/503952870.db2.gz KFLCRPZWYNYGCF-RTWAWAEBSA-N 0 3 361.445 3.339 20 30 FGEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc(OC)c1 ZINC000527808677 503954845 /nfs/dbraw/zinc/95/48/45/503954845.db2.gz BNVIZDKQNDCNGY-UHFFFAOYSA-N 0 3 352.434 3.371 20 30 FGEDHN N#CCc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000544128896 504019091 /nfs/dbraw/zinc/01/90/91/504019091.db2.gz JDVDCPBCSYYTHE-FQEVSTJZSA-N 0 3 351.494 3.367 20 30 FGEDHN C=CCOc1cccnc1-c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000547205370 504019678 /nfs/dbraw/zinc/01/96/78/504019678.db2.gz CKNWOZGBGIYJJN-UHFFFAOYSA-N 0 3 366.421 3.304 20 30 FGEDHN CS[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1N(C)C ZINC000534092277 504038092 /nfs/dbraw/zinc/03/80/92/504038092.db2.gz ZIHFEXRMMMCETH-WOJBJXKFSA-N 0 3 365.502 3.343 20 30 FGEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1cccc(Cl)c1F ZINC000518771498 504059349 /nfs/dbraw/zinc/05/93/49/504059349.db2.gz UPRYLBDQFHQMAH-UHFFFAOYSA-N 0 3 357.820 3.461 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccnc(OC)c1 ZINC000534243255 504082307 /nfs/dbraw/zinc/08/23/07/504082307.db2.gz PJMSSXKSUBVQCU-UHFFFAOYSA-N 0 3 373.526 3.188 20 30 FGEDHN CCN(C(=O)Cc1ccc(C#N)nc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000528126288 504083360 /nfs/dbraw/zinc/08/33/60/504083360.db2.gz GNTGXJDGHLWMQM-UTKZUKDTSA-N 0 3 362.477 3.180 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)Cc2ccc(C#N)nc2)c2ccccc2)CC1 ZINC000528127563 504083544 /nfs/dbraw/zinc/08/35/44/504083544.db2.gz PDNTVZYFRVHROR-NRFANRHFSA-N 0 3 362.477 3.085 20 30 FGEDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528534056 504263880 /nfs/dbraw/zinc/26/38/80/504263880.db2.gz LOGFGFVKQOTWJD-TZIWHRDSSA-N 0 3 354.425 3.101 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000519589082 504264714 /nfs/dbraw/zinc/26/47/14/504264714.db2.gz ZGDYATMAZCLFPQ-VQTJNVASSA-N 0 3 357.885 3.225 20 30 FGEDHN C[C@H](NCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000541904937 504298596 /nfs/dbraw/zinc/29/85/96/504298596.db2.gz TYDGYOFEAMBULV-KRWDZBQOSA-N 0 3 352.457 3.170 20 30 FGEDHN C=CCN(Cc1cccc2c[nH]nc21)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732431 504348902 /nfs/dbraw/zinc/34/89/02/504348902.db2.gz MGGSZVGEFDVWMB-HNNXBMFYSA-N 0 3 359.437 3.288 20 30 FGEDHN C=CCN(Cc1ccc(OC)c(O)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538733450 504349217 /nfs/dbraw/zinc/34/92/17/504349217.db2.gz RZWBKXFLPAWDCG-HNNXBMFYSA-N 0 3 365.437 3.126 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCNc3cnccn3)c2)c1 ZINC000531609343 504361634 /nfs/dbraw/zinc/36/16/34/504361634.db2.gz MFDOPEJGTMBZAB-UHFFFAOYSA-N 0 3 359.433 3.129 20 30 FGEDHN COc1ccc(OCCNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000528780005 504377119 /nfs/dbraw/zinc/37/71/19/504377119.db2.gz AGBWXLVCMSGHJO-UHFFFAOYSA-N 0 3 352.434 3.241 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000519971392 504392279 /nfs/dbraw/zinc/39/22/79/504392279.db2.gz OXDQUQMIYBSEPN-YLJYHZDGSA-N 0 3 356.514 3.458 20 30 FGEDHN N#C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000520093980 504410084 /nfs/dbraw/zinc/41/00/84/504410084.db2.gz STGUIOZGSIVTON-FQEVSTJZSA-N 0 3 351.425 3.419 20 30 FGEDHN C=CCOc1ccc(CNC[C@@H]2CN(CC(C)C)CCO2)cc1Cl ZINC000520208414 504436015 /nfs/dbraw/zinc/43/60/15/504436015.db2.gz SPQWEVREINRDSA-QGZVFWFLSA-N 0 3 352.906 3.351 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528922439 504451234 /nfs/dbraw/zinc/45/12/34/504451234.db2.gz YSODIBONKAAZOW-UONOGXRCSA-N 0 3 358.438 3.326 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2c2ccsc2)cc1OC ZINC000528922355 504451326 /nfs/dbraw/zinc/45/13/26/504451326.db2.gz ZNQUTFRYMUBBCX-RRFJBIMHSA-N 0 3 370.430 3.216 20 30 FGEDHN N#CC(=C([O-])c1ccc(-c2csnn2)cc1)c1nnc2n1CCCCC2 ZINC000528927238 504453723 /nfs/dbraw/zinc/45/37/23/504453723.db2.gz IVAXAIWBDRBVNV-CQSZACIVSA-N 0 3 364.434 3.013 20 30 FGEDHN N#CC(C(=O)c1ccc(-c2csnn2)cc1)c1nnc2n1CCCCC2 ZINC000528927238 504453727 /nfs/dbraw/zinc/45/37/27/504453727.db2.gz IVAXAIWBDRBVNV-CQSZACIVSA-N 0 3 364.434 3.013 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000542577796 504544118 /nfs/dbraw/zinc/54/41/18/504544118.db2.gz NXECWTCIHLSFTA-BZUAXINKSA-N 0 3 361.511 3.424 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)OCC ZINC000535910765 504580383 /nfs/dbraw/zinc/58/03/83/504580383.db2.gz OCMUSWLNONDTEH-VQTJNVASSA-N 0 3 360.498 3.320 20 30 FGEDHN CC(=O)NCCN(CCCC1(C#N)CCOCC1)Cc1ccc(C)s1 ZINC000548924970 504622686 /nfs/dbraw/zinc/62/26/86/504622686.db2.gz YMDHQLQKWWNAJH-UHFFFAOYSA-N 0 3 363.527 3.095 20 30 FGEDHN C[C@@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539609453 504624673 /nfs/dbraw/zinc/62/46/73/504624673.db2.gz HKGNUWUAUCTVSU-MRXNPFEDSA-N 0 3 370.447 3.309 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000521058283 504639011 /nfs/dbraw/zinc/63/90/11/504639011.db2.gz GAAIMCSVTSHJPT-KSSFIOAISA-N 0 3 352.413 3.482 20 30 FGEDHN CCC(CC)(CNS(=O)(=O)CCCC#N)N[C@H](C)c1ccccc1 ZINC000521170727 504668085 /nfs/dbraw/zinc/66/80/85/504668085.db2.gz XLYDBWRYHHLCAR-MRXNPFEDSA-N 0 3 351.516 3.119 20 30 FGEDHN CC(=O)NCCN(Cc1ccccc1C(C)(C)C#N)C1CCSCC1 ZINC000549081917 504679083 /nfs/dbraw/zinc/67/90/83/504679083.db2.gz HODTYULNTBDBAE-UHFFFAOYSA-N 0 3 359.539 3.321 20 30 FGEDHN C[C@H](O)CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000532579661 504699362 /nfs/dbraw/zinc/69/93/62/504699362.db2.gz YLDCXPBQAOAOAH-HNNXBMFYSA-N 0 3 371.868 3.423 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1 ZINC000536334334 504702480 /nfs/dbraw/zinc/70/24/80/504702480.db2.gz RKPDEFZNRSZTMS-UHFFFAOYSA-N 0 3 355.433 3.249 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000539832941 504709171 /nfs/dbraw/zinc/70/91/71/504709171.db2.gz DSHRVEPRNFWBFL-IBGZPJMESA-N 0 3 355.482 3.204 20 30 FGEDHN CN(C[C@H]1COc2ccccc2O1)C(=O)C(C#N)CCc1ccccc1 ZINC000539935653 504742855 /nfs/dbraw/zinc/74/28/55/504742855.db2.gz PARGRPXXBGVVTM-ROUUACIJSA-N 0 3 350.418 3.057 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000565148878 504807829 /nfs/dbraw/zinc/80/78/29/504807829.db2.gz XTJQLKMJUDOZED-QRWLVFNGSA-N 0 3 351.450 3.265 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2scc(C)c2C#N)cc1 ZINC000565164723 504813771 /nfs/dbraw/zinc/81/37/71/504813771.db2.gz UTTXJOWWXNWAHV-MRXNPFEDSA-N 0 3 358.467 3.361 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000553056654 504815876 /nfs/dbraw/zinc/81/58/76/504815876.db2.gz QDHOUEBGTNADKW-UHFFFAOYSA-N 0 3 374.554 3.305 20 30 FGEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000556200322 504817591 /nfs/dbraw/zinc/81/75/91/504817591.db2.gz BNKPASURNZPAON-HNAYVOBHSA-N 0 3 357.479 3.420 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1conc1CC ZINC000565222714 504828827 /nfs/dbraw/zinc/82/88/27/504828827.db2.gz VCNQPZQKLHQJNN-UHFFFAOYSA-N 0 3 361.515 3.335 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000549558568 504849906 /nfs/dbraw/zinc/84/99/06/504849906.db2.gz IKTMPYPIBZRVBZ-GFCCVEGCSA-N 0 3 368.403 3.212 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2cccc(Br)c2C#N)CC1 ZINC000565513130 504908590 /nfs/dbraw/zinc/90/85/90/504908590.db2.gz BIRJHKOOOYOLFI-CQSZACIVSA-N 0 3 365.319 3.006 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000553454120 504919106 /nfs/dbraw/zinc/91/91/06/504919106.db2.gz SRGLHQONXODTGO-HXUWFJFHSA-N 0 3 374.529 3.012 20 30 FGEDHN C[C@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCN(C2CCC2)C1 ZINC000553524043 504939147 /nfs/dbraw/zinc/93/91/47/504939147.db2.gz DWPJLBMDNGLKTE-OAHLLOKOSA-N 0 3 355.457 3.062 20 30 FGEDHN N#CCCOCCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000549996767 504948789 /nfs/dbraw/zinc/94/87/89/504948789.db2.gz LEIYAEDBMOCKIR-YLJYHZDGSA-N 0 3 352.438 3.020 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000562845595 504962835 /nfs/dbraw/zinc/96/28/35/504962835.db2.gz LMSIOKSLBCDXOT-GOSISDBHSA-N 0 3 359.520 3.249 20 30 FGEDHN N#CCCOCCN[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000550105017 504968449 /nfs/dbraw/zinc/96/84/49/504968449.db2.gz DXOZNSBPACOFGS-NQIIRXRSSA-N 0 3 370.424 3.097 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000553783831 505009407 /nfs/dbraw/zinc/00/94/07/505009407.db2.gz UBYDFCMLMVMUGU-JTDSTZFVSA-N 0 3 358.482 3.062 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)ccc1OC ZINC000550327028 505022908 /nfs/dbraw/zinc/02/29/08/505022908.db2.gz RAXOAULHMIHERV-JRGCBEDISA-N 0 3 371.481 3.355 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000565907836 505023377 /nfs/dbraw/zinc/02/33/77/505023377.db2.gz CSDWXGOGKQDYIU-BDTNDASRSA-N 0 3 359.473 3.443 20 30 FGEDHN C=CCN(C(=O)[C@H]1CNCc2ccccc21)c1nc2c(s1)CCCC2 ZINC000563156024 505061742 /nfs/dbraw/zinc/06/17/42/505061742.db2.gz LOKRFZZUQNMWAI-INIZCTEOSA-N 0 3 353.491 3.428 20 30 FGEDHN Cc1nc(C(C)C)oc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000550648935 505079558 /nfs/dbraw/zinc/07/95/58/505079558.db2.gz QMOVRHGLWRVHAR-UHFFFAOYSA-N 0 3 354.454 3.182 20 30 FGEDHN CC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000566121112 505087936 /nfs/dbraw/zinc/08/79/36/505087936.db2.gz XPBLJPSXZACQOJ-SIKLNZKXSA-N 0 3 364.445 3.168 20 30 FGEDHN CN1CC[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000550714436 505088599 /nfs/dbraw/zinc/08/85/99/505088599.db2.gz UYFYMXBZFAKESD-BDTNDASRSA-N 0 3 374.488 3.089 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000557219494 505094647 /nfs/dbraw/zinc/09/46/47/505094647.db2.gz AWXDVBCYHUIPIK-FSSWDIPSSA-N 0 3 374.488 3.355 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000566152242 505098314 /nfs/dbraw/zinc/09/83/14/505098314.db2.gz OIMWBPSBVCYFBY-FXAWDEMLSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000560483085 505099865 /nfs/dbraw/zinc/09/98/65/505099865.db2.gz OXWOPQZRYNHTBQ-DLBZAZTESA-N 0 3 350.528 3.318 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000563366397 505121561 /nfs/dbraw/zinc/12/15/61/505121561.db2.gz YMFQAWWGEBSLHZ-VQTJNVASSA-N 0 3 369.509 3.014 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000557564724 505168684 /nfs/dbraw/zinc/16/86/84/505168684.db2.gz FOOWSIRFALPOMA-IRLDBZIGSA-N 0 3 355.526 3.007 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCCC[C@@H]2c2ccccc2)nc1 ZINC000563564788 505178094 /nfs/dbraw/zinc/17/80/94/505178094.db2.gz LPTORNDLPDCFMA-MOPGFXCFSA-N 0 3 369.490 3.043 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)NCCSCc1ccccc1C#N ZINC000554465379 505179717 /nfs/dbraw/zinc/17/97/17/505179717.db2.gz INUQMQGPQHJMHG-UHFFFAOYSA-N 0 3 374.554 3.309 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H]2CCc3ccc(C#N)cc32)s1 ZINC000566591475 505214728 /nfs/dbraw/zinc/21/47/28/505214728.db2.gz ZOJDDVHFLFROGJ-WQGACYEGSA-N 0 3 369.494 3.212 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000557740730 505218238 /nfs/dbraw/zinc/21/82/38/505218238.db2.gz BCGNYUHJYKTQCP-SFHVURJKSA-N 0 3 365.481 3.068 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000560972357 505219825 /nfs/dbraw/zinc/21/98/25/505219825.db2.gz ITWUZCXNIXUEGK-KBXCAEBGSA-N 0 3 358.438 3.264 20 30 FGEDHN CCNC(=O)C[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000551424081 505223527 /nfs/dbraw/zinc/22/35/27/505223527.db2.gz VQTLXXCRBFFYHD-KRWDZBQOSA-N 0 3 352.400 3.438 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)s1 ZINC000563850917 505256290 /nfs/dbraw/zinc/25/62/90/505256290.db2.gz IWLYMFUCBHSOEN-KRWDZBQOSA-N 0 3 368.506 3.474 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000564113868 505328807 /nfs/dbraw/zinc/32/88/07/505328807.db2.gz WMHZHALPEQSOAF-AVRDEDQJSA-N 0 3 371.525 3.018 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000555113138 505353115 /nfs/dbraw/zinc/35/31/15/505353115.db2.gz IORZVZOGWDLRJH-GOSISDBHSA-N 0 3 356.857 3.314 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000561535304 505371453 /nfs/dbraw/zinc/37/14/53/505371453.db2.gz ZBJCIHPJCXUAMZ-INIZCTEOSA-N 0 3 358.482 3.206 20 30 FGEDHN CNC(=O)COc1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000552086654 505395430 /nfs/dbraw/zinc/39/54/30/505395430.db2.gz MEMAJBQFCCSCRT-OAQYLSRUSA-N 0 3 363.461 3.240 20 30 FGEDHN CCC[C@@]1(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCOC1 ZINC000552155614 505417257 /nfs/dbraw/zinc/41/72/57/505417257.db2.gz WFDSDWBXMPKXRA-LJQANCHMSA-N 0 3 361.511 3.376 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](CO)C2CCCC2)c1C#N ZINC000567284660 505418026 /nfs/dbraw/zinc/41/80/26/505418026.db2.gz UAHZWMBVEVZXIH-LJQANCHMSA-N 0 3 372.513 3.171 20 30 FGEDHN C=CCC[C@@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000552251133 505441794 /nfs/dbraw/zinc/44/17/94/505441794.db2.gz LGCAISPDWNRGHW-QFBILLFUSA-N 0 3 370.449 3.201 20 30 FGEDHN COc1cc(Br)ccc1CCCNC[C@@H](C#N)CCC#N ZINC000564607674 505467621 /nfs/dbraw/zinc/46/76/21/505467621.db2.gz YGDATVGKHBZOKF-CYBMUJFWSA-N 0 3 350.260 3.423 20 30 FGEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000561974040 505482279 /nfs/dbraw/zinc/48/22/79/505482279.db2.gz MDQPNJUELQCLOB-GOSISDBHSA-N 0 3 373.497 3.258 20 30 FGEDHN CN1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000552399581 505483006 /nfs/dbraw/zinc/48/30/06/505483006.db2.gz QGRBZRMAZMHSRN-VQTJNVASSA-N 0 3 363.436 3.291 20 30 FGEDHN CC[C@@H](CNC[C@@H](O)COc1ccc(C#N)cc1)Oc1ccccc1C ZINC000567682949 505535331 /nfs/dbraw/zinc/53/53/31/505535331.db2.gz CUVDRLJSCGFFJO-MOPGFXCFSA-N 0 3 354.450 3.054 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000567726688 505550185 /nfs/dbraw/zinc/55/01/85/505550185.db2.gz RBABNOHRVHTFND-SLFFLAALSA-N 0 3 371.452 3.448 20 30 FGEDHN COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(CCC#N)CC2)cc1F ZINC000567791371 505563259 /nfs/dbraw/zinc/56/32/59/505563259.db2.gz OZMKYYPSGJYTHV-OAHLLOKOSA-N 0 3 361.461 3.197 20 30 FGEDHN COc1ccccc1[C@@H]1CCCCN1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599290723 506399710 /nfs/dbraw/zinc/39/97/10/506399710.db2.gz ZLKFTAMGDLMXAU-HKUYNNGSSA-N 0 3 358.482 3.294 20 30 FGEDHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(C)c(C#N)c1)CC2 ZINC000599312228 506407508 /nfs/dbraw/zinc/40/75/08/506407508.db2.gz SNAWGOKVPZHASA-UHFFFAOYSA-N 0 3 366.461 3.493 20 30 FGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(OC(F)F)c1 ZINC000599351509 506424337 /nfs/dbraw/zinc/42/43/37/506424337.db2.gz ZBLLCHTZPGCPEO-HIFRSBDPSA-N 0 3 354.397 3.010 20 30 FGEDHN N#Cc1ccccc1-c1ccc(Cn2cc([C@@H](N)C3CCOCC3)nn2)cc1 ZINC000603190159 506452821 /nfs/dbraw/zinc/45/28/21/506452821.db2.gz LLWJLZJMCINOHT-QFIPXVFZSA-N 0 3 373.460 3.291 20 30 FGEDHN CC(C)OC[C@H](CO)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000589204999 506483398 /nfs/dbraw/zinc/48/33/98/506483398.db2.gz GSXVFUIQEDILEG-NRFANRHFSA-N 0 3 368.477 3.355 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000603444614 506515106 /nfs/dbraw/zinc/51/51/06/506515106.db2.gz NEYSUYMWVZWENG-STQMWFEESA-N 0 3 372.494 3.169 20 30 FGEDHN Cn1cc(N2CCC[C@H](NCc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000589314114 506515184 /nfs/dbraw/zinc/51/51/84/506515184.db2.gz LJZPBUSZVLJFHN-HNNXBMFYSA-N 0 3 363.387 3.069 20 30 FGEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000596678298 506527867 /nfs/dbraw/zinc/52/78/67/506527867.db2.gz NIHNIUZGZFXSIT-KRWDZBQOSA-N 0 3 365.437 3.351 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000582999680 506530967 /nfs/dbraw/zinc/53/09/67/506530967.db2.gz VEFZZIWMQOPXKC-JKSUJKDBSA-N 0 3 351.372 3.079 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000599626629 506539138 /nfs/dbraw/zinc/53/91/38/506539138.db2.gz XKMRAQJPVMZUMT-GJNTUIEKSA-N 0 3 357.498 3.340 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593370278 506580313 /nfs/dbraw/zinc/58/03/13/506580313.db2.gz KNVDNTKKSHRURX-VGOFRKELSA-N 0 3 374.488 3.494 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000612472189 506591030 /nfs/dbraw/zinc/59/10/30/506591030.db2.gz NACYZZMIJXRIMJ-UHFFFAOYSA-N 0 3 366.852 3.287 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000593397788 506599384 /nfs/dbraw/zinc/59/93/84/506599384.db2.gz SHQMFCBIAUAPPH-GOSISDBHSA-N 0 3 360.461 3.106 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1(C#N)CCCC1 ZINC000593428281 506614897 /nfs/dbraw/zinc/61/48/97/506614897.db2.gz VQRDRXPWCDGFQP-IBGZPJMESA-N 0 3 369.513 3.161 20 30 FGEDHN CCN1C[C@@H](CN(C)CCOc2cccc(C#N)c2)Oc2ccccc21 ZINC000603845283 506632035 /nfs/dbraw/zinc/63/20/35/506632035.db2.gz DHBYEZSLIZNBRX-LJQANCHMSA-N 0 3 351.450 3.156 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C#N)CCCCC1 ZINC000596863252 506643728 /nfs/dbraw/zinc/64/37/28/506643728.db2.gz DPEMTZGDTHPZKY-UHFFFAOYSA-N 0 3 367.497 3.106 20 30 FGEDHN COc1cc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)c(F)cc1C#N ZINC000599818509 506655415 /nfs/dbraw/zinc/65/54/15/506655415.db2.gz ZJQRVGYPRLETAZ-AWEZNQCLSA-N 0 3 370.428 3.348 20 30 FGEDHN CO[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000596975962 506707072 /nfs/dbraw/zinc/70/70/72/506707072.db2.gz YKPCFMGOOHJLHV-HXUWFJFHSA-N 0 3 357.498 3.044 20 30 FGEDHN Cc1nn(C(C)C)cc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692567 506733914 /nfs/dbraw/zinc/73/39/14/506733914.db2.gz GAWLICXROFTQOQ-UHFFFAOYSA-N 0 3 351.498 3.398 20 30 FGEDHN CCCN(CC(=O)N(CC)CCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000609101897 506776391 /nfs/dbraw/zinc/77/63/91/506776391.db2.gz DJJKKHJQUFEIEM-NRFANRHFSA-N 0 3 370.541 3.125 20 30 FGEDHN CCC(C)(C)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000594021666 506889298 /nfs/dbraw/zinc/88/92/98/506889298.db2.gz YKUXPCCIYHQVDG-SFHVURJKSA-N 0 3 356.514 3.128 20 30 FGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](N(C)C)C1 ZINC000609487363 506897503 /nfs/dbraw/zinc/89/75/03/506897503.db2.gz CHIADVJKLMNJRA-HUUCEWRRSA-N 0 3 374.554 3.242 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000583711486 506927961 /nfs/dbraw/zinc/92/79/61/506927961.db2.gz CRWFXWQXIMIIRQ-UHFFFAOYSA-N 0 3 363.502 3.124 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000590756308 506939152 /nfs/dbraw/zinc/93/91/52/506939152.db2.gz IFVUMKUDJNTSIG-HMXCVIKNSA-N 0 3 369.509 3.343 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C[C@H]1C ZINC000597427655 506949410 /nfs/dbraw/zinc/94/94/10/506949410.db2.gz WXVKHZCCYIRDCG-CVEARBPZSA-N 0 3 364.497 3.146 20 30 FGEDHN N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCN(C4CC4)C3)c2)c1 ZINC000609660724 506965476 /nfs/dbraw/zinc/96/54/76/506965476.db2.gz OWDOMQJCWRTADS-LJQANCHMSA-N 0 3 361.445 3.104 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000590803329 506967879 /nfs/dbraw/zinc/96/78/79/506967879.db2.gz ADQGLDQGMVTZRB-UHFFFAOYSA-N 0 3 353.426 3.207 20 30 FGEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)c1nc2cc(F)ccc2s1 ZINC000609690991 506975277 /nfs/dbraw/zinc/97/52/77/506975277.db2.gz MFOKZVQRYSFXJV-LBPRGKRZSA-N 0 3 369.377 3.452 20 30 FGEDHN N#CC1(CC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CCCCC1 ZINC000597497248 506980594 /nfs/dbraw/zinc/98/05/94/506980594.db2.gz DHGRDBLMSGUGIO-HXUWFJFHSA-N 0 3 369.509 3.124 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1c1ccco1)C(C)C ZINC000604914365 506985987 /nfs/dbraw/zinc/98/59/87/506985987.db2.gz GZOZEPQLJLAUAO-QZTJIDSGSA-N 0 3 361.486 3.061 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609920397 507050419 /nfs/dbraw/zinc/05/04/19/507050419.db2.gz JOJONJPKGYFILY-FQEVSTJZSA-N 0 3 354.498 3.210 20 30 FGEDHN CCC1(N2CCOCC2)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000600683847 507063934 /nfs/dbraw/zinc/06/39/34/507063934.db2.gz VEXHLGNJICCIDS-HXUWFJFHSA-N 0 3 369.509 3.177 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000594302113 507070041 /nfs/dbraw/zinc/07/00/41/507070041.db2.gz CWBCWZCIQOSKGA-PGRDOPGGSA-N 0 3 361.489 3.470 20 30 FGEDHN CC(C)[C@H](NC[C@H](O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000600717105 507079663 /nfs/dbraw/zinc/07/96/63/507079663.db2.gz IJRMBPYOCLRECD-JXFKEZNVSA-N 0 3 364.449 3.161 20 30 FGEDHN CCOc1ccc(Oc2cc(CNC[C@@H](O)CC3(C#N)CC3)ccn2)cc1 ZINC000600721698 507081671 /nfs/dbraw/zinc/08/16/71/507081671.db2.gz WJPYBZQHRXLDFK-KRWDZBQOSA-N 0 3 367.449 3.417 20 30 FGEDHN C=C(C)CN1CCC(Nc2ncccc2I)CC1 ZINC000610130259 507110941 /nfs/dbraw/zinc/11/09/41/507110941.db2.gz DHXJTXHGQDOJQU-UHFFFAOYSA-N 0 3 357.239 3.139 20 30 FGEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000610134162 507112175 /nfs/dbraw/zinc/11/21/75/507112175.db2.gz RQXVYLXIEZUZLT-MOPGFXCFSA-N 0 3 357.498 3.090 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000594428734 507128148 /nfs/dbraw/zinc/12/81/48/507128148.db2.gz PABIIKAOOXRQHM-HUUCEWRRSA-N 0 3 365.861 3.248 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C ZINC000610177707 507128529 /nfs/dbraw/zinc/12/85/29/507128529.db2.gz BNSZEDYMEJHUIX-MAUKXSAKSA-N 0 3 364.449 3.300 20 30 FGEDHN CCOc1ccc(Br)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594431930 507129699 /nfs/dbraw/zinc/12/96/99/507129699.db2.gz SRRHWJXYQBKXPS-GFCCVEGCSA-N 0 3 354.248 3.198 20 30 FGEDHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594436269 507131373 /nfs/dbraw/zinc/13/13/73/507131373.db2.gz CLVAZPBTNCULRV-RDJZCZTQSA-N 0 3 362.905 3.002 20 30 FGEDHN CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](N)CCCCC#N ZINC000594437424 507133618 /nfs/dbraw/zinc/13/36/18/507133618.db2.gz LRRKWXOHUHQEMY-OAHLLOKOSA-N 0 3 370.266 3.348 20 30 FGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(OCc2ccccn2)c1 ZINC000594441125 507135043 /nfs/dbraw/zinc/13/50/43/507135043.db2.gz NKGKAGRLEYZIDZ-OXQOHEQNSA-N 0 3 366.465 3.249 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000594443721 507135126 /nfs/dbraw/zinc/13/51/26/507135126.db2.gz SMNSUVUEZQXZEE-HZPDHXFCSA-N 0 3 369.387 3.017 20 30 FGEDHN Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H](N)CCCCC#N)C3)cs1 ZINC000594443831 507135306 /nfs/dbraw/zinc/13/53/06/507135306.db2.gz VKRYLZZMHQHZOS-CQSZACIVSA-N 0 3 374.535 3.476 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000594444951 507137366 /nfs/dbraw/zinc/13/73/66/507137366.db2.gz GNSHYUCQUYGMAQ-UKRRQHHQSA-N 0 3 369.296 3.100 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594448335 507138616 /nfs/dbraw/zinc/13/86/16/507138616.db2.gz FSBDXEIPAVRDRE-OAHLLOKOSA-N 0 3 369.387 3.144 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCCCc1ccc(Br)cc1F ZINC000594447857 507139268 /nfs/dbraw/zinc/13/92/68/507139268.db2.gz WDJARNFEHFDHOM-HNNXBMFYSA-N 0 3 370.266 3.048 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000594452881 507140384 /nfs/dbraw/zinc/14/03/84/507140384.db2.gz KLQDYJDQNFRBPS-WBVHZDCISA-N 0 3 363.889 3.369 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCc2ccc(N3CCOCC3)nc2)cc1 ZINC000594495096 507153908 /nfs/dbraw/zinc/15/39/08/507153908.db2.gz OPXBGSUAMQHLED-UHFFFAOYSA-N 0 3 350.466 3.009 20 30 FGEDHN C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594509815 507160787 /nfs/dbraw/zinc/16/07/87/507160787.db2.gz HVYKLDWTRWLSOA-MELADBBJSA-N 0 3 355.404 3.164 20 30 FGEDHN C[C@H](N[C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551841 507181279 /nfs/dbraw/zinc/18/12/79/507181279.db2.gz SFFSOKQUMUQUHO-DOPJRALCSA-N 0 3 360.889 3.145 20 30 FGEDHN CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CCN(C)C1 ZINC000597946645 507193334 /nfs/dbraw/zinc/19/33/34/507193334.db2.gz RGINLXQEUYHMAJ-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351814 507206858 /nfs/dbraw/zinc/20/68/58/507206858.db2.gz GZXIHECQRQUVMW-IAGOWNOFSA-N 0 3 350.466 3.439 20 30 FGEDHN N#CCc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000601024650 507231996 /nfs/dbraw/zinc/23/19/96/507231996.db2.gz WPUNVYDPSINTCP-INIZCTEOSA-N 0 3 353.491 3.456 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000610458295 507247922 /nfs/dbraw/zinc/24/79/22/507247922.db2.gz QPTGCRDRCGJWER-SFHVURJKSA-N 0 3 362.477 3.364 20 30 FGEDHN COCCN(CCN(C)C)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000591486411 507268919 /nfs/dbraw/zinc/26/89/19/507268919.db2.gz ARKKZJZKNHHXHF-UHFFFAOYSA-N 0 3 371.506 3.190 20 30 FGEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2nnc(C3CCOCC3)[n-]2)CC1 ZINC000601298476 507327017 /nfs/dbraw/zinc/32/70/17/507327017.db2.gz ISLWPELPSCQQSA-UHFFFAOYSA-N 0 3 365.481 3.192 20 30 FGEDHN N#CC1(c2ccccc2)CCC(NCc2nnc(C3CCOCC3)[nH]2)CC1 ZINC000601298476 507327024 /nfs/dbraw/zinc/32/70/24/507327024.db2.gz ISLWPELPSCQQSA-UHFFFAOYSA-N 0 3 365.481 3.192 20 30 FGEDHN CC[C@@H]1CN(C)c2ccccc2CN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000610676670 507343133 /nfs/dbraw/zinc/34/31/33/507343133.db2.gz URBINYPFAQPOAU-WOJBJXKFSA-N 0 3 365.477 3.029 20 30 FGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000598261977 507349013 /nfs/dbraw/zinc/34/90/13/507349013.db2.gz WCFFWZWRKDOLME-OAHLLOKOSA-N 0 3 352.438 3.063 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591764901 507352590 /nfs/dbraw/zinc/35/25/90/507352590.db2.gz QTINTKWSVDWMOW-INIZCTEOSA-N 0 3 350.378 3.072 20 30 FGEDHN CCOCCCNC(=O)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159566 507389251 /nfs/dbraw/zinc/38/92/51/507389251.db2.gz FUICJNRSZDUVPM-UHFFFAOYSA-N 0 3 371.525 3.243 20 30 FGEDHN C[C@@H](NC[C@@H]1CN(C)CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595099859 507391876 /nfs/dbraw/zinc/39/18/76/507391876.db2.gz PEVCIAYGMMHOPP-YLJYHZDGSA-N 0 3 366.484 3.164 20 30 FGEDHN CN1CCN(CCCCNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000591896448 507399793 /nfs/dbraw/zinc/39/97/93/507399793.db2.gz LJRSUOYIPYXSDE-UHFFFAOYSA-N 0 3 357.889 3.199 20 30 FGEDHN CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC000595258228 507443248 /nfs/dbraw/zinc/44/32/48/507443248.db2.gz AMAFUERGEBYDBW-CVEARBPZSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000610982792 507465796 /nfs/dbraw/zinc/46/57/96/507465796.db2.gz QEJLJBLJWWKJSW-IBGZPJMESA-N 0 3 354.425 3.300 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000610998352 507476217 /nfs/dbraw/zinc/47/62/17/507476217.db2.gz YGSHWQILNYAOLV-PMACEKPBSA-N 0 3 369.509 3.299 20 30 FGEDHN C[C@](NCCc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000595385113 507478233 /nfs/dbraw/zinc/47/82/33/507478233.db2.gz SGPJHAJUMXBLPF-GOSISDBHSA-N 0 3 361.367 3.110 20 30 FGEDHN CC(C)[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CCN1 ZINC000598572029 507494104 /nfs/dbraw/zinc/49/41/04/507494104.db2.gz KIIMAAIFERUSQU-NRFANRHFSA-N 0 3 363.461 3.207 20 30 FGEDHN C/C=C/c1ccc(OC[C@H](O)CN2CCC(CCC#N)CC2)c(OC)c1 ZINC000592135785 507500201 /nfs/dbraw/zinc/50/02/01/507500201.db2.gz PWDCPLXCUUFLSR-MEDHRJKHSA-N 0 3 358.482 3.484 20 30 FGEDHN CC[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000595446571 507501140 /nfs/dbraw/zinc/50/11/40/507501140.db2.gz CYYRSBNSYOVTCB-YLJYHZDGSA-N 0 3 354.498 3.159 20 30 FGEDHN N#Cc1ccc(CCN[C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000595465299 507512022 /nfs/dbraw/zinc/51/20/22/507512022.db2.gz BTWNKEOJJQMGDE-INIZCTEOSA-N 0 3 350.340 3.323 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCC(c3nc(N)n[nH]3)CC2)cc1 ZINC000595489484 507527295 /nfs/dbraw/zinc/52/72/95/507527295.db2.gz SUCRPIAFYUPHLI-UHFFFAOYSA-N 0 3 358.449 3.136 20 30 FGEDHN C[C@@](O)(C[C@H](O)CNCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000601964168 507531879 /nfs/dbraw/zinc/53/18/79/507531879.db2.gz HEJGPYSREFYQPK-RBBKRZOGSA-N 0 3 350.462 3.227 20 30 FGEDHN N#Cc1c(F)cccc1CNc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000602016960 507554972 /nfs/dbraw/zinc/55/49/72/507554972.db2.gz BPIDGDSJGIJICS-UHFFFAOYSA-N 0 3 366.440 3.135 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCOc2ccc(Br)cc21 ZINC000598701493 507558790 /nfs/dbraw/zinc/55/87/90/507558790.db2.gz VSHPYLSWJJFRDR-TZMCWYRMSA-N 0 3 353.260 3.163 20 30 FGEDHN CCC[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(F)c32)CCN1CCOC ZINC000611227944 507571205 /nfs/dbraw/zinc/57/12/05/507571205.db2.gz FMUVGLQKADJWGJ-OAHLLOKOSA-N 0 3 374.435 3.322 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@H](n3ccnc3)C2)c(-c2ccccc2)n1 ZINC000611268119 507592771 /nfs/dbraw/zinc/59/27/71/507592771.db2.gz OVOGWKVHGDFMTK-FQEVSTJZSA-N 0 3 360.465 3.497 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000592301853 507602080 /nfs/dbraw/zinc/60/20/80/507602080.db2.gz BBFHXLJESCZWPT-FQEVSTJZSA-N 0 3 357.498 3.200 20 30 FGEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595633286 507603546 /nfs/dbraw/zinc/60/35/46/507603546.db2.gz OUHXSHVKDSKLDF-FRFSOERESA-N 0 3 356.388 3.233 20 30 FGEDHN COc1ccc([C@H](CCn2cncn2)NCc2ccc(CC#N)cc2)cc1 ZINC000592391444 507635357 /nfs/dbraw/zinc/63/53/57/507635357.db2.gz QCXUZBOQLXKGJZ-NRFANRHFSA-N 0 3 361.449 3.274 20 30 FGEDHN COc1ccc([C@H](C)NC2CCN(CC#N)CC2)c(Br)c1 ZINC000611438407 507682576 /nfs/dbraw/zinc/68/25/76/507682576.db2.gz FGHCIRMSXMZVEH-LBPRGKRZSA-N 0 3 352.276 3.096 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000592526814 507696160 /nfs/dbraw/zinc/69/61/60/507696160.db2.gz CDFRGVQANBZDHX-FPOVZHCZSA-N 0 3 371.525 3.446 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCOC)Cc2ccc(C)cc2C)CC1 ZINC000592526097 507696840 /nfs/dbraw/zinc/69/68/40/507696840.db2.gz FBMMDQQESNFIGJ-UHFFFAOYSA-N 0 3 359.514 3.112 20 30 FGEDHN Cc1sc2nc(CN3CCN(C[C@H](C)CCC#N)CC3)[nH]c(=O)c2c1C ZINC000602432477 507709229 /nfs/dbraw/zinc/70/92/29/507709229.db2.gz MCOLNEHFSDWHEJ-CYBMUJFWSA-N 0 3 373.526 3.071 20 30 FGEDHN CCN1CCN(c2ccccc2N[C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602490113 507724358 /nfs/dbraw/zinc/72/43/58/507724358.db2.gz AEDKTMLSXVJKER-SFHVURJKSA-N 0 3 356.514 3.339 20 30 FGEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cc(F)c(Br)cc1F ZINC000602526095 507738543 /nfs/dbraw/zinc/73/85/43/507738543.db2.gz KXVIGJLNXKVNJO-XPTSAGLGSA-N 0 3 374.229 3.316 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cccc(C#N)n2)CC1 ZINC000602547088 507744993 /nfs/dbraw/zinc/74/49/93/507744993.db2.gz ZCRWEDTYJZXRBV-INIZCTEOSA-N 0 3 367.472 3.085 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(C(F)(F)F)cn1 ZINC000602564735 507749756 /nfs/dbraw/zinc/74/97/56/507749756.db2.gz CIFXVLZMEJZLPX-CYBMUJFWSA-N 0 3 357.376 3.168 20 30 FGEDHN C[C@H](CC[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000827412925 601348232 /nfs/dbraw/zinc/34/82/32/601348232.db2.gz VCOSWXAXXOEXSV-OXQOHEQNSA-N 0 3 351.450 3.184 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000031643232 695737904 /nfs/dbraw/zinc/73/79/04/695737904.db2.gz UFGHMWATSYZDOX-XSFVSMFZSA-N 0 3 360.479 3.261 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000069244178 695948388 /nfs/dbraw/zinc/94/83/88/695948388.db2.gz LCWJQHWBPHYDFJ-GFCCVEGCSA-N 0 3 358.305 3.093 20 30 FGEDHN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000115904613 700588513 /nfs/dbraw/zinc/58/85/13/700588513.db2.gz HPXWFIQQELGALG-LBPRGKRZSA-N 0 3 359.172 3.221 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc2c1OCO2 ZINC000123454118 700705005 /nfs/dbraw/zinc/70/50/05/700705005.db2.gz NOVLTAFWAGKQKN-NSHDSACASA-N 0 3 360.728 3.169 20 30 FGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2c(Cl)nc3ccccn32)c1 ZINC000127675668 700764721 /nfs/dbraw/zinc/76/47/21/700764721.db2.gz SYUDEOGMJSIYNG-CYBMUJFWSA-N 0 3 352.781 3.257 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000130918890 700808025 /nfs/dbraw/zinc/80/80/25/700808025.db2.gz RKKDFNIYBOQPAU-CQSZACIVSA-N 0 3 359.813 3.161 20 30 FGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCc2cccs2)cc1 ZINC000155050438 705061507 /nfs/dbraw/zinc/06/15/07/705061507.db2.gz ZFBIZTOACFBLRT-KRWDZBQOSA-N 0 3 356.447 3.105 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172086535 705407390 /nfs/dbraw/zinc/40/73/90/705407390.db2.gz FHVBTBAVYVHCFZ-SYQHCUMBSA-N 0 3 353.205 3.208 20 30 FGEDHN N#CC(C(=O)CCCc1ccc(Br)s1)C(=O)N1CCCC1 ZINC000177592628 705629368 /nfs/dbraw/zinc/62/93/68/705629368.db2.gz HJDFMTZROPGEHH-LBPRGKRZSA-N 0 3 369.284 3.165 20 30 FGEDHN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)NC[C@@H]1CCc2nccn2C1 ZINC000329905561 713833446 /nfs/dbraw/zinc/83/34/46/713833446.db2.gz RPMMSEDLQZDXJL-IHRRRGAJSA-N 0 3 358.408 3.318 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@](F)(C#N)C2)c2cccs2)CC1 ZINC000615528497 714533006 /nfs/dbraw/zinc/53/30/06/714533006.db2.gz DKZMIBNGLGOECW-QAPCUYQASA-N 0 3 364.490 3.168 20 30 FGEDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000615806914 714550522 /nfs/dbraw/zinc/55/05/22/714550522.db2.gz RJNBCNVXKYLUIP-ZBFHGGJFSA-N 0 3 356.388 3.155 20 30 FGEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(NS(C)(=O)=O)c1 ZINC000618805704 714780045 /nfs/dbraw/zinc/78/00/45/714780045.db2.gz OZKLEJHQKIATJJ-YJYMSZOUSA-N 0 3 355.463 3.268 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000623634935 715375979 /nfs/dbraw/zinc/37/59/79/715375979.db2.gz ITUMSUIWKVZGPL-KRWDZBQOSA-N 0 3 351.441 3.203 20 30 FGEDHN C=CCOc1c(Cl)cc(CN(C[C@H]2CCC(=O)N2)C(C)C)cc1OC ZINC000628313402 716138091 /nfs/dbraw/zinc/13/80/91/716138091.db2.gz NVCAQEFZRLVJGV-OAHLLOKOSA-N 0 3 366.889 3.402 20 30 FGEDHN CCn1cc(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000781447823 724565111 /nfs/dbraw/zinc/56/51/11/724565111.db2.gz LPZIFCHCAVFOOM-LBPRGKRZSA-N 0 3 365.220 3.100 20 30 FGEDHN C[C@@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@H](C)CN1C ZINC001164638063 719204917 /nfs/dbraw/zinc/20/49/17/719204917.db2.gz MYNLADMPOFZHKA-VXGBXAGGSA-N 0 3 359.836 3.337 20 30 FGEDHN N#Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899280 721507793 /nfs/dbraw/zinc/50/77/93/721507793.db2.gz KTDBLMZXNXDJGP-NVXWUHKLSA-N 0 3 372.831 3.088 20 30 FGEDHN C=CCOC[C@@H]1CCC[C@]12CN(c1ccc(CN(C)C3CC3)cn1)CCO2 ZINC001164981045 722169774 /nfs/dbraw/zinc/16/97/74/722169774.db2.gz ZWEUQWLILLEGJJ-UGKGYDQZSA-N 0 3 371.525 3.254 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)C(=O)OC(C)(C)C ZINC000730924328 722471880 /nfs/dbraw/zinc/47/18/80/722471880.db2.gz WOBUYENUISLHOD-NSHDSACASA-N 0 3 363.414 3.479 20 30 FGEDHN CCOC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000733796644 722500946 /nfs/dbraw/zinc/50/09/46/722500946.db2.gz JNMJFAUHUVBHBG-CABCVRRESA-N 0 3 357.479 3.221 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNCCC(=O)OC(C)(C)C ZINC000742372240 722556485 /nfs/dbraw/zinc/55/64/85/722556485.db2.gz KDVWFWKHVIXKIU-UHFFFAOYSA-N 0 3 368.271 3.283 20 30 FGEDHN C#CCOc1ccccc1CNCCOc1cccc(C(F)(F)F)n1 ZINC000758567091 722991845 /nfs/dbraw/zinc/99/18/45/722991845.db2.gz BZMXRCMOIOMUDZ-UHFFFAOYSA-N 0 3 350.340 3.281 20 30 FGEDHN Clc1cccc(Cl)c1N=NC1CCN(CCN2CCOCC2)CC1 ZINC000763188548 723320242 /nfs/dbraw/zinc/32/02/42/723320242.db2.gz QZYVNTDNJIUUCT-UHFFFAOYSA-N 0 3 371.312 3.189 20 30 FGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1Cl ZINC000766840968 723595325 /nfs/dbraw/zinc/59/53/25/723595325.db2.gz OPLYDCIMSVPMGD-NSHDSACASA-N 0 3 364.188 3.358 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1Cl ZINC000796628939 723647525 /nfs/dbraw/zinc/64/75/25/723647525.db2.gz FRIFQHCZNUZKAF-GMXVVIOVSA-N 0 3 362.813 3.001 20 30 FGEDHN CCCC[C@H](NC(=O)NCC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797571880 723836415 /nfs/dbraw/zinc/83/64/15/723836415.db2.gz WMLPPDYVAHAQCI-OLZOCXBDSA-N 0 3 364.515 3.495 20 30 FGEDHN CCCCCCCS(=O)(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000799790209 724096685 /nfs/dbraw/zinc/09/66/85/724096685.db2.gz HBVYQGVDYWVWSV-INIZCTEOSA-N 0 3 354.516 3.116 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCCOCC1 ZINC000786302803 724972201 /nfs/dbraw/zinc/97/22/01/724972201.db2.gz CFNWUDPQHFCNAF-SMDDNHRTSA-N 0 3 368.405 3.465 20 30 FGEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536235 724987470 /nfs/dbraw/zinc/98/74/70/724987470.db2.gz ZSBUCQSWVJOGLX-DYVFJYSZSA-N 0 3 356.809 3.133 20 30 FGEDHN CC(C)(C)c1ncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000808980159 725221967 /nfs/dbraw/zinc/22/19/67/725221967.db2.gz VEFPNKSQFHRZMN-LBPRGKRZSA-N 0 3 356.813 3.389 20 30 FGEDHN Cc1nc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)sc1SCC#N ZINC000809611970 725252188 /nfs/dbraw/zinc/25/21/88/725252188.db2.gz RUYKIHAYUKJGSM-CHWSQXEVSA-N 0 3 373.459 3.310 20 30 FGEDHN C#C[C@H](NCc1ccc(Br)cc1N1CCOCC1)C(C)(C)C ZINC000809780958 725268378 /nfs/dbraw/zinc/26/83/78/725268378.db2.gz BNMJAPYYJBEAAO-KRWDZBQOSA-N 0 3 365.315 3.423 20 30 FGEDHN CCC[C@@H](C(=O)C(C#N)c1nc(C(=O)OCC)cs1)c1ccccn1 ZINC000810555385 725314516 /nfs/dbraw/zinc/31/45/16/725314516.db2.gz YWYOJHWKADNDFH-CHWSQXEVSA-N 0 3 357.435 3.475 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cscc1Br ZINC000815905434 727106247 /nfs/dbraw/zinc/10/62/47/727106247.db2.gz NDRIIDSAJOSUIV-NSHDSACASA-N 0 3 357.273 3.068 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)Cc1ccccc1Br ZINC000818595655 727315755 /nfs/dbraw/zinc/31/57/55/727315755.db2.gz HPQDRPSKZVVQPS-HNNXBMFYSA-N 0 3 365.315 3.089 20 30 FGEDHN C#Cc1ccccc1CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000819334567 727368348 /nfs/dbraw/zinc/36/83/48/727368348.db2.gz BDSHAUSEINBDDG-FQEVSTJZSA-N 0 3 352.503 3.351 20 30 FGEDHN C#C[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccc(Cl)cc1F ZINC000820750173 729025563 /nfs/dbraw/zinc/02/55/63/729025563.db2.gz LMDBFECGCJMYGL-UGSOOPFHSA-N 0 3 363.864 3.279 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C2(C#N)CCSCC2)C1 ZINC000821768272 729114923 /nfs/dbraw/zinc/11/49/23/729114923.db2.gz WZKHRIDVBVHOGS-QGZVFWFLSA-N 0 3 357.523 3.004 20 30 FGEDHN N#Cc1ccc(F)c(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000827370568 729429526 /nfs/dbraw/zinc/42/95/26/729429526.db2.gz HKDMLAUATBFLIR-UHFFFAOYSA-N 0 3 361.486 3.179 20 30 FGEDHN C#CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000830316564 729549834 /nfs/dbraw/zinc/54/98/34/729549834.db2.gz XZDNXZBRFKAVGZ-CQSZACIVSA-N 0 3 363.299 3.141 20 30 FGEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC2(CCC2)O1 ZINC000830734249 729590225 /nfs/dbraw/zinc/59/02/25/729590225.db2.gz JMLPLJFJYAFJJP-ZIAGYGMSSA-N 0 3 355.463 3.116 20 30 FGEDHN CC[C@H](C)[C@H](NC(=O)OC)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000835145246 729862419 /nfs/dbraw/zinc/86/24/19/729862419.db2.gz OXFAXRQJGAMCIV-PXWWUCIGSA-N 0 3 363.414 3.382 20 30 FGEDHN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000835340608 729880096 /nfs/dbraw/zinc/88/00/96/729880096.db2.gz NPEUHCWYYJTMCV-JOYOIKCWSA-N 0 3 362.298 3.268 20 30 FGEDHN CN(C)c1ncc(CNCc2cccc(-c3ccc(C#N)s3)c2)n1C ZINC000840899302 730189219 /nfs/dbraw/zinc/18/92/19/730189219.db2.gz KEVWTBKCPWHWCI-UHFFFAOYSA-N 0 3 351.479 3.376 20 30 FGEDHN FC(F)(F)CNC(=S)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841622636 730260340 /nfs/dbraw/zinc/26/03/40/730260340.db2.gz ZMYVISLNCBKMMH-HNNXBMFYSA-N 0 3 370.444 3.368 20 30 FGEDHN C#CCN1CCC(C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000847192538 731031660 /nfs/dbraw/zinc/03/16/60/731031660.db2.gz MXUGKDITECOSGR-UHFFFAOYSA-N 0 3 353.293 3.387 20 30 FGEDHN C=CCN1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848528178 731175492 /nfs/dbraw/zinc/17/54/92/731175492.db2.gz JOLCRGNPSXUWEH-LBPRGKRZSA-N 0 3 369.303 3.464 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000850757507 731385173 /nfs/dbraw/zinc/38/51/73/731385173.db2.gz LLSPGFNIUGINNF-GXFFZTMASA-N 0 3 355.221 3.317 20 30 FGEDHN Cc1ccn([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000850760055 731385826 /nfs/dbraw/zinc/38/58/26/731385826.db2.gz VDRJYWMCNUGDSC-DGCLKSJQSA-N 0 3 362.792 3.283 20 30 FGEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000852100292 731543787 /nfs/dbraw/zinc/54/37/87/731543787.db2.gz VUOIDIBVNXNNRZ-CXAGYDPISA-N 0 3 351.288 3.188 20 30 FGEDHN C[C@@H]1COC2(CCC2)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852443806 731584085 /nfs/dbraw/zinc/58/40/85/731584085.db2.gz MMJLBOSBRHYPSX-ZIAGYGMSSA-N 0 3 355.463 3.116 20 30 FGEDHN CCC[C@@H](C(=O)C(C#N)C(=O)NCCCOC)c1cccc(Cl)c1 ZINC000860460990 732517667 /nfs/dbraw/zinc/51/76/67/732517667.db2.gz CQNBSASGGBZIOD-HZPDHXFCSA-N 0 3 350.846 3.085 20 30 FGEDHN C#C[C@@H](CC)OC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000860663715 732550764 /nfs/dbraw/zinc/55/07/64/732550764.db2.gz SWOMGCYICCETOY-RCCFBDPRSA-N 0 3 354.475 3.314 20 30 FGEDHN Cn1c(Cl)nc(Cl)c1CNC1CCN(c2ccccc2C#N)CC1 ZINC000865696573 733253604 /nfs/dbraw/zinc/25/36/04/733253604.db2.gz FYFSVWSTHAOXGN-UHFFFAOYSA-N 0 3 364.280 3.357 20 30 FGEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000870158193 733817630 /nfs/dbraw/zinc/81/76/30/733817630.db2.gz DSMMYWPAPXVJMR-QWRGUYRKSA-N 0 3 369.368 3.406 20 30 FGEDHN N#CC(C(=O)C=CCOC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000870379954 733845684 /nfs/dbraw/zinc/84/56/84/733845684.db2.gz NMPDFXGRYLJINF-VSZDKKFSSA-N 0 3 354.328 3.028 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000876604363 736119383 /nfs/dbraw/zinc/11/93/83/736119383.db2.gz LGFDMWPMEMGOTD-BBRMVZONSA-N 0 3 366.893 3.207 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000876606750 736119916 /nfs/dbraw/zinc/11/99/16/736119916.db2.gz JSPJZGRIPPKBEG-KRWDZBQOSA-N 0 3 363.889 3.292 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000876611598 736121045 /nfs/dbraw/zinc/12/10/45/736121045.db2.gz LHAOWVGERWNTAH-QGZVFWFLSA-N 0 3 363.889 3.500 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000876619785 736122903 /nfs/dbraw/zinc/12/29/03/736122903.db2.gz FQGKPDMAQUVDST-KRWDZBQOSA-N 0 3 360.889 3.226 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000876703546 736134480 /nfs/dbraw/zinc/13/44/80/736134480.db2.gz YYJIJWSHZOFUBI-JOYOIKCWSA-N 0 3 355.225 3.037 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000876725124 736136305 /nfs/dbraw/zinc/13/63/05/736136305.db2.gz NCATYWZVTKTDJZ-KBXCAEBGSA-N 0 3 359.857 3.308 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000876743774 736139198 /nfs/dbraw/zinc/13/91/98/736139198.db2.gz MCYBDSVLGHZEKN-CYBMUJFWSA-N 0 3 360.310 3.302 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000876898868 736160180 /nfs/dbraw/zinc/16/01/80/736160180.db2.gz XCAKRLMYJDZGLU-KBPBESRZSA-N 0 3 362.779 3.075 20 30 FGEDHN COc1ccccc1[C@@H]1CSCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000877453741 736221140 /nfs/dbraw/zinc/22/11/40/736221140.db2.gz GSRFOGGXYNNXPZ-IRXDYDNUSA-N 0 3 361.511 3.113 20 30 FGEDHN C[C@H](C[C@H](C)NCc1cc(C#N)cnc1Cl)NC(=O)OC(C)(C)C ZINC000877603988 736691508 /nfs/dbraw/zinc/69/15/08/736691508.db2.gz VKBGZWYPAGWYFQ-NWDGAFQWSA-N 0 3 352.866 3.388 20 30 FGEDHN COc1cc(CCCNCc2cc(C#N)cnc2Cl)cc(OC)c1O ZINC000877646321 736699462 /nfs/dbraw/zinc/69/94/62/736699462.db2.gz GVJMRBDULDHRTJ-UHFFFAOYSA-N 0 3 361.829 3.052 20 30 FGEDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000879648253 737023247 /nfs/dbraw/zinc/02/32/47/737023247.db2.gz GSNGEZFCGPDPFR-VXGBXAGGSA-N 0 3 355.463 3.492 20 30 FGEDHN C=CCC1(O)CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000884056284 737629269 /nfs/dbraw/zinc/62/92/69/737629269.db2.gz RPAKANDJWIUWSW-QGZVFWFLSA-N 0 3 365.543 3.244 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N(Cc1ccccc1Cl)CC1CC1)C2 ZINC000884428311 737663534 /nfs/dbraw/zinc/66/35/34/737663534.db2.gz YRFOMMOWCKJUFR-OHTSDLOESA-N 0 3 357.885 3.218 20 30 FGEDHN C#CCC1(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCOCC1 ZINC000887125715 739331195 /nfs/dbraw/zinc/33/11/95/739331195.db2.gz GQCCIBMFZVNVGZ-UHFFFAOYSA-N 0 3 374.790 3.459 20 30 FGEDHN C#C[C@@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000894869635 742344737 /nfs/dbraw/zinc/34/47/37/742344737.db2.gz ATEMYXMZUSPZPD-DLBZAZTESA-N 0 3 364.283 3.441 20 30 FGEDHN C#CCN(C(=S)NCc1cccc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000899613555 742988218 /nfs/dbraw/zinc/98/82/18/742988218.db2.gz GHIMIBLHTXUTMO-UHFFFAOYSA-N 0 3 369.456 3.109 20 30 FGEDHN C#CCN(C(=O)Nc1ncc(-c2ccccc2)s1)C1CCN(C)CC1 ZINC000902985185 743796080 /nfs/dbraw/zinc/79/60/80/743796080.db2.gz GJZXKQNBCBXTNA-UHFFFAOYSA-N 0 3 354.479 3.371 20 30 FGEDHN C[C@@H](N[C@H]1CCc2ncc(Br)n2C1)c1ccc(C#N)cc1F ZINC000903479958 743855622 /nfs/dbraw/zinc/85/56/22/743855622.db2.gz UBCCTCCVHBESNA-PWSUYJOCSA-N 0 3 363.234 3.322 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3ccsc3C#N)c(C)c2)CC1 ZINC000905306477 744011458 /nfs/dbraw/zinc/01/14/58/744011458.db2.gz ALNWNOQFVPOIJE-UHFFFAOYSA-N 0 3 354.479 3.322 20 30 FGEDHN C=CCN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)C(C)C ZINC000917069879 758173857 /nfs/dbraw/zinc/17/38/57/758173857.db2.gz ZALFDXWJUZTTSJ-LJQANCHMSA-N 0 3 363.933 3.490 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000921075449 758643614 /nfs/dbraw/zinc/64/36/14/758643614.db2.gz YDMHAJJTFXVGAL-INIZCTEOSA-N 0 3 366.303 3.031 20 30 FGEDHN C[C@@](O)(CNCc1cc(C#N)ccc1Br)c1cccs1 ZINC000921769534 758789596 /nfs/dbraw/zinc/78/95/96/758789596.db2.gz RMRZNAQETDRICB-OAHLLOKOSA-N 0 3 351.269 3.380 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 ZINC000924806758 759395623 /nfs/dbraw/zinc/39/56/23/759395623.db2.gz QOIFLHZXHIQPRB-OAHLLOKOSA-N 0 3 351.516 3.135 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCN(C)[C@@H]2C)s1 ZINC000928433083 760185476 /nfs/dbraw/zinc/18/54/76/760185476.db2.gz SJIQFAABWCWSPB-VXGBXAGGSA-N 0 3 359.948 3.047 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000932140678 761066201 /nfs/dbraw/zinc/06/62/01/761066201.db2.gz FIXXLFCMCOIZKC-UHFFFAOYSA-N 0 3 364.287 3.102 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1(C(F)(F)F)CC1 ZINC000932297253 761123910 /nfs/dbraw/zinc/12/39/10/761123910.db2.gz IAPFUQYRDSUKBW-SNVBAGLBSA-N 0 3 353.369 3.499 20 30 FGEDHN C#CCC1(NCC(=O)Nc2c(F)cc(F)cc2Br)CCC1 ZINC000933301458 761359390 /nfs/dbraw/zinc/35/93/90/761359390.db2.gz QPSDLDZXMVJOCV-UHFFFAOYSA-N 0 3 357.198 3.201 20 30 FGEDHN CN(CCOCCN(C)Cc1cc(C#N)cs1)Cc1cc(C#N)cs1 ZINC000933773925 761471024 /nfs/dbraw/zinc/47/10/24/761471024.db2.gz SXQUIOSEGWQPDO-UHFFFAOYSA-N 0 3 374.535 3.133 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)Cc1cc(C)sc1C ZINC000960884955 762741449 /nfs/dbraw/zinc/74/14/49/762741449.db2.gz SXURHTPGDXFDAF-QRVBRYPASA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000970703149 762881368 /nfs/dbraw/zinc/88/13/68/762881368.db2.gz OQJWZZVCXRJUSB-TUKIKUTGSA-N 0 3 352.400 3.220 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CCN(Cc2ccsc2)CC1 ZINC000997339947 765056888 /nfs/dbraw/zinc/05/68/88/765056888.db2.gz NXZSEIVLJLVDNI-MNEFBYGVSA-N 0 3 362.539 3.446 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC(NCc2sccc2Cl)C1 ZINC000998787111 765123246 /nfs/dbraw/zinc/12/32/46/765123246.db2.gz DHENRXHCTGKRDE-MNSOJDNVSA-N 0 3 368.930 3.462 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001000232968 765207177 /nfs/dbraw/zinc/20/71/77/765207177.db2.gz QRJOLAVUEHCBHB-INMHGKMJSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001018865968 765845840 /nfs/dbraw/zinc/84/58/40/765845840.db2.gz WSOFMVIFGBCCSY-DAYGRLMNSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001035186077 766256433 /nfs/dbraw/zinc/25/64/33/766256433.db2.gz PVSFKLVLZYDJMC-PIUXTAMUSA-N 0 3 352.906 3.035 20 30 FGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001039394220 766295722 /nfs/dbraw/zinc/29/57/22/766295722.db2.gz PEWYHGYPABUFON-YYIAUSFCSA-N 0 3 354.416 3.220 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001054211404 767004154 /nfs/dbraw/zinc/00/41/54/767004154.db2.gz OPAGGZIDGVPAJK-NQUCXWIBSA-N 0 3 352.906 3.035 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000570947337 505618625 /nfs/dbraw/zinc/61/86/25/505618625.db2.gz BJEJNNHAWLLVPO-UHFFFAOYSA-N 0 3 374.444 3.016 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCSc3ccccc32)cc1 ZINC000580049761 505670228 /nfs/dbraw/zinc/67/02/28/505670228.db2.gz JQUIQEWZORIFCL-QFBILLFUSA-N 0 3 354.475 3.319 20 30 FGEDHN N#Cc1cnn2cc(CNCCc3nc(C4CCCCC4)cs3)cnc12 ZINC000574040568 505680178 /nfs/dbraw/zinc/68/01/78/505680178.db2.gz ONZHYISNSVYTJU-UHFFFAOYSA-N 0 3 366.494 3.437 20 30 FGEDHN N#CCCN(CC(F)(F)F)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000080827522 493784778 /nfs/dbraw/zinc/78/47/78/493784778.db2.gz NSKRQJXCCFDFFN-UHFFFAOYSA-N 0 3 353.388 3.203 20 30 FGEDHN Cc1nc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)ccc1C#N ZINC000068312047 493795351 /nfs/dbraw/zinc/79/53/51/493795351.db2.gz JPRPZACCHQMLNT-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN N#CCOc1cccc(NC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000048515981 493835051 /nfs/dbraw/zinc/83/50/51/493835051.db2.gz YVQOJBJZCIFIRR-UHFFFAOYSA-N 0 3 374.510 3.072 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@](C)(CO)C(C)C)c1C#N ZINC000580131442 505683763 /nfs/dbraw/zinc/68/37/63/505683763.db2.gz PXMMRFSDKURKIO-HXUWFJFHSA-N 0 3 360.502 3.027 20 30 FGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CC2CCCCC2)CC1 ZINC000049981836 493888669 /nfs/dbraw/zinc/88/86/69/493888669.db2.gz CLVOQOVXGUNOJK-KRWDZBQOSA-N 0 3 354.498 3.083 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)[N-]C(C)C)cc1 ZINC000069047738 493912613 /nfs/dbraw/zinc/91/26/13/493912613.db2.gz MDSZSOSWRYAPAS-UHFFFAOYSA-O 0 3 355.483 3.250 20 30 FGEDHN C=C(C)COc1cc(CNCCC(=O)Nc2ccccn2)ccc1OC ZINC000060949867 493959899 /nfs/dbraw/zinc/95/98/99/493959899.db2.gz YEMZEKJWTCTEKE-UHFFFAOYSA-N 0 3 355.438 3.164 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000051405587 493967658 /nfs/dbraw/zinc/96/76/58/493967658.db2.gz SUTJRLIZOTVKHG-RTWAWAEBSA-N 0 3 368.452 3.339 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000032768854 494015236 /nfs/dbraw/zinc/01/52/36/494015236.db2.gz JLXBXFPXFWDRJM-WIYYLYMNSA-N 0 3 352.434 3.144 20 30 FGEDHN COc1ccc(CN2CCC(CNc3nnc(C)c(C)c3C#N)CC2)cc1 ZINC000063282519 494039373 /nfs/dbraw/zinc/03/93/73/494039373.db2.gz LOFNFOQDLRNYCE-UHFFFAOYSA-N 0 3 365.481 3.298 20 30 FGEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077322477 494057782 /nfs/dbraw/zinc/05/77/82/494057782.db2.gz BRCRRPXSDHJGNJ-UHOSZYNNSA-N 0 3 361.530 3.197 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)CSc1ccc(C#N)cc1 ZINC000084250408 494058998 /nfs/dbraw/zinc/05/89/98/494058998.db2.gz UMHMSAGUOOUVPN-UHFFFAOYSA-N 0 3 359.520 3.302 20 30 FGEDHN COc1cccc2c1OC[C@@H](NCc1cccc(OCCCC#N)c1)C2 ZINC000077412367 494078338 /nfs/dbraw/zinc/07/83/38/494078338.db2.gz NOWRYIMZTPQLCC-SFHVURJKSA-N 0 3 352.434 3.471 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCCN(C(C)(C)C)CC2)c1C#N ZINC000063724180 494079794 /nfs/dbraw/zinc/07/97/94/494079794.db2.gz SSAYVCRYPVZTBZ-UHFFFAOYSA-N 0 3 372.538 3.499 20 30 FGEDHN C/C=C/c1ccc(OC[C@@H](O)CNCc2ccc(C#N)s2)c(OC)c1 ZINC000580185752 505698504 /nfs/dbraw/zinc/69/85/04/505698504.db2.gz UTYIVFPTRGXCGF-BWPKMQGJSA-N 0 3 358.463 3.191 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000063774594 494086528 /nfs/dbraw/zinc/08/65/28/494086528.db2.gz SGCRQVYEPLSZAI-OAHLLOKOSA-N 0 3 351.450 3.461 20 30 FGEDHN CC(C)C1CCC(N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)CC1 ZINC000084681334 494092101 /nfs/dbraw/zinc/09/21/01/494092101.db2.gz RLSYXDJOCIVQAR-UHFFFAOYSA-N 0 3 374.573 3.161 20 30 FGEDHN C=CCOc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000086239337 494145887 /nfs/dbraw/zinc/14/58/87/494145887.db2.gz HZCFJKBKCRWWBC-UHFFFAOYSA-N 0 3 366.461 3.460 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000064743352 494146400 /nfs/dbraw/zinc/14/64/00/494146400.db2.gz UCASQTSYEMOYSL-SFHVURJKSA-N 0 3 364.449 3.353 20 30 FGEDHN CCc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000077849345 494191131 /nfs/dbraw/zinc/19/11/31/494191131.db2.gz KTCFZWKUAATCMA-UHFFFAOYSA-N 0 3 364.493 3.394 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000072604979 494215786 /nfs/dbraw/zinc/21/57/86/494215786.db2.gz ZEHWDZNXRPAXKN-GOSISDBHSA-N 0 3 363.417 3.453 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000042883215 494250347 /nfs/dbraw/zinc/25/03/47/494250347.db2.gz JRGFGNAHIKOAMP-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN CCN1CCC[C@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000042883216 494250831 /nfs/dbraw/zinc/25/08/31/494250831.db2.gz JRGFGNAHIKOAMP-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cc(F)ccc1F ZINC000065930229 494257375 /nfs/dbraw/zinc/25/73/75/494257375.db2.gz RDTHXDAMIHFCEH-UHFFFAOYSA-N 0 3 371.431 3.359 20 30 FGEDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C#N)[C@@H]1c1cccs1 ZINC000078338384 494281963 /nfs/dbraw/zinc/28/19/63/494281963.db2.gz LJEJZYCUWZWVHB-MLGOLLRUSA-N 0 3 357.439 3.418 20 30 FGEDHN C#CCN1CCC(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000066509018 494347068 /nfs/dbraw/zinc/34/70/68/494347068.db2.gz MMHYDLNNMDMEHC-UHFFFAOYSA-N 0 3 364.411 3.198 20 30 FGEDHN N#Cc1ccccc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000015360781 494350373 /nfs/dbraw/zinc/35/03/73/494350373.db2.gz UBIPNZQYNBVPLI-UHFFFAOYSA-N 0 3 369.490 3.023 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000073665217 494409993 /nfs/dbraw/zinc/40/99/93/494409993.db2.gz QLGHKHXGTOKTCJ-YZGWKJHDSA-N 0 3 354.498 3.342 20 30 FGEDHN C[C@@H](CN1CCCC1=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905387 494435969 /nfs/dbraw/zinc/43/59/69/494435969.db2.gz GVDVEFOETXMZNO-KRWDZBQOSA-N 0 3 363.461 3.238 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000090182846 494454211 /nfs/dbraw/zinc/45/42/11/494454211.db2.gz KQIPAKFNCOWZDJ-AWEZNQCLSA-N 0 3 357.903 3.293 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2ccc(O)cc2C1)C(C)C ZINC000079440338 494455054 /nfs/dbraw/zinc/45/50/54/494455054.db2.gz OOFUGLDTYAPZQL-FQEVSTJZSA-N 0 3 357.498 3.159 20 30 FGEDHN N#CC1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCCC1 ZINC000056479256 494513219 /nfs/dbraw/zinc/51/32/19/494513219.db2.gz NEIGQCXLYZFQNH-UHFFFAOYSA-N 0 3 352.482 3.241 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1CN(C)C ZINC000046815422 494569170 /nfs/dbraw/zinc/56/91/70/494569170.db2.gz KLJDDGKVGPCMBB-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067616650 494585977 /nfs/dbraw/zinc/58/59/77/494585977.db2.gz JQSZQIHJCGZXTI-LEWJYISDSA-N 0 3 362.477 3.188 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc2c(c1)CCC2 ZINC000047010444 494615327 /nfs/dbraw/zinc/61/53/27/494615327.db2.gz SQIUUMFQLDWHKN-UHFFFAOYSA-N 0 3 361.489 3.180 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(F)cc1 ZINC000047010626 494617496 /nfs/dbraw/zinc/61/74/96/494617496.db2.gz XYNGYNMZGVYBFH-UHFFFAOYSA-N 0 3 371.481 3.380 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc(C#N)cs1 ZINC000092516303 494654475 /nfs/dbraw/zinc/65/44/75/494654475.db2.gz GAWQAQHHSSJEOT-UHFFFAOYSA-N 0 3 354.479 3.393 20 30 FGEDHN O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057173185 494666817 /nfs/dbraw/zinc/66/68/17/494666817.db2.gz YNXTZOVOKQCJHI-MRXNPFEDSA-N 0 3 362.437 3.367 20 30 FGEDHN O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057173185 494666818 /nfs/dbraw/zinc/66/68/18/494666818.db2.gz YNXTZOVOKQCJHI-MRXNPFEDSA-N 0 3 362.437 3.367 20 30 FGEDHN O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057173185 494666821 /nfs/dbraw/zinc/66/68/21/494666821.db2.gz YNXTZOVOKQCJHI-MRXNPFEDSA-N 0 3 362.437 3.367 20 30 FGEDHN O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057173185 494666822 /nfs/dbraw/zinc/66/68/22/494666822.db2.gz YNXTZOVOKQCJHI-MRXNPFEDSA-N 0 3 362.437 3.367 20 30 FGEDHN CCCn1nc(C)c(CN2CCCN(c3ccccc3C#N)CC2)c1C ZINC000091792274 494681255 /nfs/dbraw/zinc/68/12/55/494681255.db2.gz QVZMLSHSHZBCKD-UHFFFAOYSA-N 0 3 351.498 3.494 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)cc1OCCCC#N ZINC000091833223 494697024 /nfs/dbraw/zinc/69/70/24/494697024.db2.gz ACYXXGMHXQPACD-QGZVFWFLSA-N 0 3 370.453 3.449 20 30 FGEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1cc(C#N)ccc1F ZINC000075177529 494700285 /nfs/dbraw/zinc/70/02/85/494700285.db2.gz SVRSDRKFVBPGFN-UHFFFAOYSA-N 0 3 351.381 3.435 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000067963416 494710429 /nfs/dbraw/zinc/71/04/29/494710429.db2.gz GUBFVQOJDMUDMZ-KRWDZBQOSA-N 0 3 364.367 3.449 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](CNC(=O)CCC)C2)cc1OC ZINC000092707766 494721192 /nfs/dbraw/zinc/72/11/92/494721192.db2.gz HNKMPBQZNFFNOC-SFHVURJKSA-N 0 3 360.498 3.388 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000091949288 494729291 /nfs/dbraw/zinc/72/92/91/494729291.db2.gz FWUOTPYSQSGKAZ-QZTJIDSGSA-N 0 3 369.509 3.448 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000047740041 494767393 /nfs/dbraw/zinc/76/73/93/494767393.db2.gz WVZIVHNGMRAMIM-IBGZPJMESA-N 0 3 369.421 3.118 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN(C)Cc1ccccc1 ZINC000108769453 494781951 /nfs/dbraw/zinc/78/19/51/494781951.db2.gz MDUZJSYEGXUTAE-OAQYLSRUSA-N 0 3 365.477 3.210 20 30 FGEDHN CC[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000025868004 494785352 /nfs/dbraw/zinc/78/53/52/494785352.db2.gz SCTMGRYEONANGO-NQIIRXRSSA-N 0 3 354.450 3.242 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1OCC(F)F ZINC000093242935 494850089 /nfs/dbraw/zinc/85/00/89/494850089.db2.gz ZVOGZDAIHWFDPE-LBPRGKRZSA-N 0 3 356.332 3.102 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)[N-]C[C@H]2CCCO2)cc1 ZINC000027073310 494852031 /nfs/dbraw/zinc/85/20/31/494852031.db2.gz CPOUEIKMWZFZLD-QGZVFWFLSA-O 0 3 373.473 3.129 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2)CC1 ZINC000116804699 494855113 /nfs/dbraw/zinc/85/51/13/494855113.db2.gz MOJMATLFAAZENJ-GCJKJVERSA-N 0 3 368.525 3.419 20 30 FGEDHN COc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)cc1OC(F)F ZINC000127054193 494886364 /nfs/dbraw/zinc/88/63/64/494886364.db2.gz GEXHOEFQQVTCOE-INIZCTEOSA-N 0 3 362.376 3.334 20 30 FGEDHN C=CCc1cc(CN2CCC(CN3CCCCC3=O)CC2)cc(OC)c1O ZINC000093532098 494897386 /nfs/dbraw/zinc/89/73/86/494897386.db2.gz HTUYLRWGULXLQM-UHFFFAOYSA-N 0 3 372.509 3.354 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C[C@@H]2CCOC2)cc1OC ZINC000093840023 494926253 /nfs/dbraw/zinc/92/62/53/494926253.db2.gz IMOIDXRJNAHEPQ-ZDUSSCGKSA-N 0 3 370.287 3.491 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000577566818 505753672 /nfs/dbraw/zinc/75/36/72/505753672.db2.gz BOUQHZZJCYFAEM-MRXNPFEDSA-N 0 3 367.415 3.121 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccsc1 ZINC000110629060 494995956 /nfs/dbraw/zinc/99/59/56/494995956.db2.gz UDBWQGLCUFMHRG-IBGZPJMESA-N 0 3 371.506 3.392 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000110709916 495002421 /nfs/dbraw/zinc/00/24/21/495002421.db2.gz IKJDNIJOYXIOTF-KRWDZBQOSA-N 0 3 365.477 3.377 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)CC)CC1 ZINC000127944182 495020435 /nfs/dbraw/zinc/02/04/35/495020435.db2.gz ANNKEMNYWOJDIN-FQEVSTJZSA-N 0 3 359.514 3.010 20 30 FGEDHN C[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000111504910 495083401 /nfs/dbraw/zinc/08/34/01/495083401.db2.gz IMPYTKTXZACSOS-QGZVFWFLSA-N 0 3 350.466 3.220 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nc2c1c(C)nn2C)C(C)C ZINC000101684456 495091330 /nfs/dbraw/zinc/09/13/30/495091330.db2.gz RALYAYCZSNJLOP-SFHVURJKSA-N 0 3 369.513 3.014 20 30 FGEDHN N#Cc1ccc2ncc(CNCc3ccc(OCc4ccccn4)cc3)n2c1 ZINC000123369382 495122074 /nfs/dbraw/zinc/12/20/74/495122074.db2.gz YXQAPCVASMTODJ-UHFFFAOYSA-N 0 3 369.428 3.470 20 30 FGEDHN CC(C)[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000102691073 495153485 /nfs/dbraw/zinc/15/34/85/495153485.db2.gz DTTMCUSIAUTVFK-NRFANRHFSA-N 0 3 365.433 3.255 20 30 FGEDHN C=CCC(CC=C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000123607733 495159594 /nfs/dbraw/zinc/15/95/94/495159594.db2.gz GTZFMFGIJAPPJG-UHFFFAOYSA-N 0 3 355.526 3.209 20 30 FGEDHN N#CC(C(=O)c1ccnc(-n2cccn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000123847347 495196395 /nfs/dbraw/zinc/19/63/95/495196395.db2.gz DCNYRWKLLXCFLU-ZDUSSCGKSA-N 0 3 357.295 3.171 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000129133629 495201240 /nfs/dbraw/zinc/20/12/40/495201240.db2.gz BFEXOBZHVOMZQL-NVXWUHKLSA-N 0 3 357.845 3.120 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)N(C)CCC#N ZINC000112536064 495202270 /nfs/dbraw/zinc/20/22/70/495202270.db2.gz KUOWXMKHLGRYLW-CHWSQXEVSA-N 0 3 357.376 3.039 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ncsc1Br)C(C)C ZINC000577671904 505771997 /nfs/dbraw/zinc/77/19/97/505771997.db2.gz OGMBWSRUSNNAQA-LBPRGKRZSA-N 0 3 372.332 3.334 20 30 FGEDHN N#CCCn1cc(CNC[C@H](O)c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000113318433 495295809 /nfs/dbraw/zinc/29/58/09/495295809.db2.gz XAHHWTAORHUFSB-FQEVSTJZSA-N 0 3 364.424 3.426 20 30 FGEDHN CC(C)CO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000120129329 495312681 /nfs/dbraw/zinc/31/26/81/495312681.db2.gz QKOLVBVOZXQSCS-CQSZACIVSA-N 0 3 361.511 3.184 20 30 FGEDHN COC[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000136638342 495391894 /nfs/dbraw/zinc/39/18/94/495391894.db2.gz YRIUQXPUFABYKO-MLGOLLRUSA-N 0 3 361.511 3.230 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000106039226 495406725 /nfs/dbraw/zinc/40/67/25/495406725.db2.gz SYYNZKGHKGJSJD-FQEVSTJZSA-N 0 3 358.482 3.015 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cn2c(CSC)nc3ccccc32)CC1 ZINC000106038270 495407208 /nfs/dbraw/zinc/40/72/08/495407208.db2.gz VRMAXVIQKIHCLO-UHFFFAOYSA-N 0 3 372.538 3.056 20 30 FGEDHN CSC[C@](C)(O)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000120692772 495435786 /nfs/dbraw/zinc/43/57/86/495435786.db2.gz HPJCYCCIIBXCRS-HXUWFJFHSA-N 0 3 356.491 3.341 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(Br)cn1 ZINC000568814889 505783135 /nfs/dbraw/zinc/78/31/35/505783135.db2.gz YQASBYRWRRMYDH-UHFFFAOYSA-N 0 3 373.298 3.280 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1c1ncc[nH]1)C(C)C ZINC000106533190 495464221 /nfs/dbraw/zinc/46/42/21/495464221.db2.gz YWQNZJCUEUZOOT-ROUUACIJSA-N 0 3 359.518 3.345 20 30 FGEDHN C=CCC[C@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)c1ccccc1 ZINC000130976489 495474019 /nfs/dbraw/zinc/47/40/19/495474019.db2.gz BGAGALVXDVCSKL-UXHICEINSA-N 0 3 359.514 3.086 20 30 FGEDHN CCN1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115321498 495490372 /nfs/dbraw/zinc/49/03/72/495490372.db2.gz MLKDXZLGUGNTTQ-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000120999790 495500596 /nfs/dbraw/zinc/50/05/96/495500596.db2.gz VTJDZUKCDWKNPN-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000125803964 495501273 /nfs/dbraw/zinc/50/12/73/495501273.db2.gz DBERVEDZXRKYLX-UHFFFAOYSA-N 0 3 353.491 3.484 20 30 FGEDHN C#CCOc1ccc(CN[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185351744 495542266 /nfs/dbraw/zinc/54/22/66/495542266.db2.gz LETGKZZAZIHREL-JOCHJYFZSA-N 0 3 366.436 3.421 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)C2CCC2)cc1 ZINC000176230901 495555547 /nfs/dbraw/zinc/55/55/47/495555547.db2.gz NYPYWWPRIVOKKU-HXUWFJFHSA-N 0 3 354.475 3.463 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N(CCC#N)CC3CC3)c(C)c2)CC1 ZINC000176332773 495605053 /nfs/dbraw/zinc/60/50/53/495605053.db2.gz MPTWCPAGVVDHLB-UHFFFAOYSA-N 0 3 369.513 3.295 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000176337981 495607544 /nfs/dbraw/zinc/60/75/44/495607544.db2.gz BUQXZXDRCQPFQB-MSOLQXFVSA-N 0 3 351.535 3.262 20 30 FGEDHN CCN(CC)C(=O)CCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000182568378 495620033 /nfs/dbraw/zinc/62/00/33/495620033.db2.gz BUISDJIODKAWJS-UHFFFAOYSA-N 0 3 357.498 3.298 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(C#N)cc1F ZINC000170936482 495658377 /nfs/dbraw/zinc/65/83/77/495658377.db2.gz ZCCLCYPJXOEHPD-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2cncn2)c(C)c1)C(C)C ZINC000173715219 495660110 /nfs/dbraw/zinc/66/01/10/495660110.db2.gz LLXKIHHAWCBRBW-HXUWFJFHSA-N 0 3 367.497 3.004 20 30 FGEDHN CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000179678217 495687474 /nfs/dbraw/zinc/68/74/74/495687474.db2.gz LHDYEXYMPJTPJH-VQIMIIECSA-N 0 3 354.450 3.436 20 30 FGEDHN N#Cc1ccccc1OCCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179728505 495707396 /nfs/dbraw/zinc/70/73/96/495707396.db2.gz VDTUNCKMJJOXPO-NRFANRHFSA-N 0 3 350.418 3.449 20 30 FGEDHN C[C@@H](CO[C@@H]1CCOC1)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000151184206 495764627 /nfs/dbraw/zinc/76/46/27/495764627.db2.gz WFHYGUTUFSULSQ-HTAPYJJXSA-N 0 3 366.461 3.421 20 30 FGEDHN COc1ccccc1C[C@H](NCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000185894557 495769035 /nfs/dbraw/zinc/76/90/35/495769035.db2.gz ANOHHDDJWCZBNE-IBGZPJMESA-N 0 3 351.450 3.362 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)NC1CCN(CCCOC)CC1 ZINC000171207535 495769975 /nfs/dbraw/zinc/76/99/75/495769975.db2.gz PIKXQJRUVNRHCY-UHFFFAOYSA-N 0 3 363.477 3.024 20 30 FGEDHN Cc1nc2ccccc2n1CCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180036308 495832759 /nfs/dbraw/zinc/83/27/59/495832759.db2.gz QSRNRKWZMVSGTP-UHFFFAOYSA-N 0 3 370.460 3.407 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000183171330 495866192 /nfs/dbraw/zinc/86/61/92/495866192.db2.gz WSYZSAAJMIMFRM-MRXNPFEDSA-N 0 3 359.433 3.423 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000155198160 495872954 /nfs/dbraw/zinc/87/29/54/495872954.db2.gz WIRARSAFHXGDQJ-QGZVFWFLSA-N 0 3 362.477 3.228 20 30 FGEDHN Cn1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180208010 495907149 /nfs/dbraw/zinc/90/71/49/495907149.db2.gz JTUYEFVGKPLMAD-KRWDZBQOSA-N 0 3 366.465 3.122 20 30 FGEDHN Cc1cnc(CCN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180227042 495914822 /nfs/dbraw/zinc/91/48/22/495914822.db2.gz YYIRMYLFSYVWTC-UHFFFAOYSA-N 0 3 351.479 3.398 20 30 FGEDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000180271853 495931209 /nfs/dbraw/zinc/93/12/09/495931209.db2.gz HJPNRZYLPSLHCX-JXFKEZNVSA-N 0 3 360.465 3.238 20 30 FGEDHN CCOC(=O)c1ccc(N2CC(N[C@H](CC)c3ccc(C#N)cc3)C2)nc1 ZINC000568954283 505815872 /nfs/dbraw/zinc/81/58/72/505815872.db2.gz FXZTVNVBSURUDC-LJQANCHMSA-N 0 3 364.449 3.059 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-][C@@H]2CCCC[C@@H]2C)c1 ZINC000151927009 495994917 /nfs/dbraw/zinc/99/49/17/495994917.db2.gz DTXYPTVBCNXUQN-DOTOQJQBSA-O 0 3 371.530 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000171712357 496000428 /nfs/dbraw/zinc/00/04/28/496000428.db2.gz UJARMEVVIQWDSR-HNNXBMFYSA-N 0 3 370.497 3.046 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000171718039 496004867 /nfs/dbraw/zinc/00/48/67/496004867.db2.gz OOXIXRGVGNWJRT-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCCOc2ccc(Cl)cc2C)CC1 ZINC000171724526 496008299 /nfs/dbraw/zinc/00/82/99/496008299.db2.gz XUYSGBRWPVMMRI-UHFFFAOYSA-N 0 3 365.905 3.367 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000171723921 496008816 /nfs/dbraw/zinc/00/88/16/496008816.db2.gz UDCHZFBNFSDEHR-UHFFFAOYSA-N 0 3 369.490 3.381 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000171738296 496015305 /nfs/dbraw/zinc/01/53/05/496015305.db2.gz MRPSNFBBDYETCE-IBGZPJMESA-N 0 3 359.470 3.016 20 30 FGEDHN CC(C)[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc2c(c1)OCCO2 ZINC000574625246 505818104 /nfs/dbraw/zinc/81/81/04/505818104.db2.gz ZPOYEBYVEHRBOG-OAQYLSRUSA-N 0 3 362.433 3.464 20 30 FGEDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000174721113 496077066 /nfs/dbraw/zinc/07/70/66/496077066.db2.gz HXJZHJOLXZIWSE-AWEZNQCLSA-N 0 3 350.422 3.196 20 30 FGEDHN CC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000180644390 496083960 /nfs/dbraw/zinc/08/39/60/496083960.db2.gz BREYUJNISVZOCI-GOSISDBHSA-N 0 3 365.433 3.399 20 30 FGEDHN CS[C@@H](CO)[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000152502748 496170348 /nfs/dbraw/zinc/17/03/48/496170348.db2.gz MXQOWGZHLDYXQW-QRWLVFNGSA-N 0 3 356.491 3.339 20 30 FGEDHN C=CCOc1ccccc1CN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000161514074 496190311 /nfs/dbraw/zinc/19/03/11/496190311.db2.gz PEEIOMYYLXFSHU-OAHLLOKOSA-N 0 3 360.479 3.474 20 30 FGEDHN CCCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000177796295 496199729 /nfs/dbraw/zinc/19/97/29/496199729.db2.gz UIDCBJIZPAGPSL-IBGZPJMESA-N 0 3 350.466 3.403 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000574677793 505829377 /nfs/dbraw/zinc/82/93/77/505829377.db2.gz KRHQILPLKMRLHN-FYYLOGMGSA-N 0 3 366.505 3.224 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000186905919 496205142 /nfs/dbraw/zinc/20/51/42/496205142.db2.gz XOJLVZMVVZAEPK-MRXNPFEDSA-N 0 3 355.404 3.282 20 30 FGEDHN CCOC(=O)CC[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000161848979 496249018 /nfs/dbraw/zinc/24/90/18/496249018.db2.gz WTAZFZMXYZUQHN-AWEZNQCLSA-N 0 3 363.483 3.004 20 30 FGEDHN C=CC1CCN(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000181367298 496369176 /nfs/dbraw/zinc/36/91/76/496369176.db2.gz KXKCKYTVFZYWQP-UHFFFAOYSA-N 0 3 371.525 3.311 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](CCO)C2CCCCC2)c1 ZINC000181505198 496423601 /nfs/dbraw/zinc/42/36/01/496423601.db2.gz PHHXQPVPNZGJPQ-OAQYLSRUSA-N 0 3 371.525 3.471 20 30 FGEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(OC(C)(C)C)cc1 ZINC000157254695 496438915 /nfs/dbraw/zinc/43/89/15/496438915.db2.gz OZUBAIWMJBZTGS-JGWKNBOWSA-N 0 3 357.454 3.041 20 30 FGEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153651194 496533348 /nfs/dbraw/zinc/53/33/48/496533348.db2.gz QVBPVCNBEMQAFO-UXHICEINSA-N 0 3 355.507 3.389 20 30 FGEDHN Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2NCCn1cnc(C#N)n1 ZINC000580849672 505853121 /nfs/dbraw/zinc/85/31/21/505853121.db2.gz PHNPLVSUFKKRKU-KRWDZBQOSA-N 0 3 353.470 3.259 20 30 FGEDHN CC(C)c1nc2n(n1)C[C@H](NCc1cccn1Cc1ccccc1C#N)CC2 ZINC000187836724 496590338 /nfs/dbraw/zinc/59/03/38/496590338.db2.gz VUVWXPFDOHCTOS-LJQANCHMSA-N 0 3 374.492 3.228 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3c2cccc3C(F)(F)F)CC1 ZINC000184986700 496611792 /nfs/dbraw/zinc/61/17/92/496611792.db2.gz SPTNHSCEANVMRE-UHFFFAOYSA-N 0 3 353.388 3.428 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccncc2)c(OC)c1 ZINC000154070365 496673708 /nfs/dbraw/zinc/67/37/08/496673708.db2.gz IUSRHUQNVFJZNT-VQTJNVASSA-N 0 3 368.477 3.396 20 30 FGEDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000191492965 496781865 /nfs/dbraw/zinc/78/18/65/496781865.db2.gz FSOYBDGOKUGVHM-UHFFFAOYSA-N 0 3 373.526 3.346 20 30 FGEDHN CN(C)[C@H](CNCc1cc(C#N)n(C)c1)c1cccc(C(F)(F)F)c1 ZINC000191612349 496830996 /nfs/dbraw/zinc/83/09/96/496830996.db2.gz DARRPGCSUFCKSL-QGZVFWFLSA-N 0 3 350.388 3.308 20 30 FGEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000195177633 496843060 /nfs/dbraw/zinc/84/30/60/496843060.db2.gz IFTPCRVLDKZXRP-MAUKXSAKSA-N 0 3 351.454 3.193 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 ZINC000273881901 496943139 /nfs/dbraw/zinc/94/31/39/496943139.db2.gz XOSKDWFIOCJSFP-UHFFFAOYSA-N 0 3 371.525 3.157 20 30 FGEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000269440265 496947985 /nfs/dbraw/zinc/94/79/85/496947985.db2.gz NMWAWQSYUMTPRF-ZTFGCOKTSA-N 0 3 359.470 3.232 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000248140979 496962013 /nfs/dbraw/zinc/96/20/13/496962013.db2.gz YLXLCNDHKHQEOI-YLJYHZDGSA-N 0 3 372.852 3.105 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000189087705 497003841 /nfs/dbraw/zinc/00/38/41/497003841.db2.gz HNSBTDXGRIBXOY-DYESRHJHSA-N 0 3 363.461 3.349 20 30 FGEDHN CCOC(=O)Nc1ccc(NC(=O)N2CCCN(C(C)C)CC2)cc1C#N ZINC000269802171 497005316 /nfs/dbraw/zinc/00/53/16/497005316.db2.gz BNWGVVMIFWXZLH-UHFFFAOYSA-N 0 3 373.457 3.075 20 30 FGEDHN COC1CCC(N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000265174298 497064183 /nfs/dbraw/zinc/06/41/83/497064183.db2.gz AXYKISJMORISSJ-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN CN1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2(CCCCC2)C1 ZINC000248725472 497089373 /nfs/dbraw/zinc/08/93/73/497089373.db2.gz HVQLYVTVNGCVSN-FQEVSTJZSA-N 0 3 366.509 3.004 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000278380484 497094999 /nfs/dbraw/zinc/09/49/99/497094999.db2.gz CQQDFDVDUXUAJB-GOSISDBHSA-N 0 3 365.905 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000265438963 497120870 /nfs/dbraw/zinc/12/08/70/497120870.db2.gz PHDNNFUHLKWGGX-UHFFFAOYSA-N 0 3 358.530 3.323 20 30 FGEDHN CCOc1ccnc(N2CCCN([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000248974374 497143399 /nfs/dbraw/zinc/14/33/99/497143399.db2.gz UBJNPGGREBPZRD-MRXNPFEDSA-N 0 3 351.454 3.020 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)ccn2)CC1 ZINC000278562487 497154710 /nfs/dbraw/zinc/15/47/10/497154710.db2.gz INJDBBABMXACHA-UHFFFAOYSA-N 0 3 353.264 3.006 20 30 FGEDHN CC1(C#N)CCC(Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1 ZINC000578216865 505888887 /nfs/dbraw/zinc/88/88/87/505888887.db2.gz UFXBNNUOEYMTQT-UHFFFAOYSA-N 0 3 367.497 3.322 20 30 FGEDHN C=CCN1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 ZINC000266183022 497275494 /nfs/dbraw/zinc/27/54/94/497275494.db2.gz AYAQIVOYGFYECP-UHFFFAOYSA-N 0 3 358.873 3.007 20 30 FGEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000271204840 497289404 /nfs/dbraw/zinc/28/94/04/497289404.db2.gz VSDLRGOZWLMAEY-QGZVFWFLSA-N 0 3 372.465 3.153 20 30 FGEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@H](N2CC=CC2)C1 ZINC000266282110 497295123 /nfs/dbraw/zinc/29/51/23/497295123.db2.gz UJEQOOOPMHKYDU-AWEZNQCLSA-N 0 3 356.376 3.158 20 30 FGEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cc(Cl)cc(Cl)c1 ZINC000271474261 497358892 /nfs/dbraw/zinc/35/88/92/497358892.db2.gz MJCQXJAXHYBVPQ-JRELAMLQSA-N 0 3 354.237 3.170 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000279370196 497419937 /nfs/dbraw/zinc/41/99/37/497419937.db2.gz RRRYYOCYRXQNJO-AUUYWEPGSA-N 0 3 372.428 3.003 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190313712 497433210 /nfs/dbraw/zinc/43/32/10/497433210.db2.gz ZBWCNHXVNFQXDJ-UHFFFAOYSA-N 0 3 363.299 3.247 20 30 FGEDHN N#CCCn1cc(CN2CCC([C@H]3CCCO3)CC2)c(-c2ccncc2)n1 ZINC000279415298 497433660 /nfs/dbraw/zinc/43/36/60/497433660.db2.gz OHWPVTDATRRBBY-HXUWFJFHSA-N 0 3 365.481 3.250 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H]1CCCC[C@@H]1O ZINC000245526303 497440409 /nfs/dbraw/zinc/44/04/09/497440409.db2.gz ALVRVXBZJGZKFN-JZXOWHBKSA-N 0 3 350.528 3.134 20 30 FGEDHN C[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245540433 497446226 /nfs/dbraw/zinc/44/62/26/497446226.db2.gz MLVXPYSBICKBAC-IYMRDKDASA-N 0 3 370.497 3.021 20 30 FGEDHN C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271911731 497486039 /nfs/dbraw/zinc/48/60/39/497486039.db2.gz DVYFJAIUHZHLQO-MRXNPFEDSA-N 0 3 353.441 3.380 20 30 FGEDHN COc1ccc2c(c1)OC[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000272143492 497547168 /nfs/dbraw/zinc/54/71/68/497547168.db2.gz BSBIOVLTNJZQQK-LJQANCHMSA-N 0 3 374.444 3.061 20 30 FGEDHN C[C@H](Cc1ccccc1F)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190623142 497549652 /nfs/dbraw/zinc/54/96/52/497549652.db2.gz ONHZBEUXOAHNDC-QRWLVFNGSA-N 0 3 351.425 3.019 20 30 FGEDHN C#CCC1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCCCC1 ZINC000276416894 497569148 /nfs/dbraw/zinc/56/91/48/497569148.db2.gz CALUEEAUFPZOQC-UHFFFAOYSA-N 0 3 368.521 3.233 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280005774 497617484 /nfs/dbraw/zinc/61/74/84/497617484.db2.gz LMNSXTSRNIFZPZ-KSSFIOAISA-N 0 3 363.465 3.378 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280005772 497617749 /nfs/dbraw/zinc/61/77/49/497617749.db2.gz LMNSXTSRNIFZPZ-KBXCAEBGSA-N 0 3 363.465 3.378 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272460494 497635095 /nfs/dbraw/zinc/63/50/95/497635095.db2.gz QOZWQNFHMSZLKD-HLLBOEOZSA-N 0 3 358.511 3.496 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000268154452 497687857 /nfs/dbraw/zinc/68/78/57/497687857.db2.gz FYSRAVGVEJGEID-MTFMMBMASA-N 0 3 369.509 3.342 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000280285136 497707863 /nfs/dbraw/zinc/70/78/63/497707863.db2.gz DWWXLFUVZRNDOJ-YOEHRIQHSA-N 0 3 367.836 3.478 20 30 FGEDHN C=CCS(=O)(=O)CCNC1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000272830941 497740474 /nfs/dbraw/zinc/74/04/74/497740474.db2.gz HVKPKTLYOVYHCU-UHFFFAOYSA-N 0 3 365.539 3.131 20 30 FGEDHN Cn1cc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1C#N ZINC000191214917 497746299 /nfs/dbraw/zinc/74/62/99/497746299.db2.gz OSIVHKHIDAYLAP-GOSISDBHSA-N 0 3 354.454 3.252 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC000246509880 497758771 /nfs/dbraw/zinc/75/87/71/497758771.db2.gz IETJMUXCZQZXND-HNAYVOBHSA-N 0 3 372.900 3.099 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000280453661 497759020 /nfs/dbraw/zinc/75/90/20/497759020.db2.gz NWLFFEDCLLTEKS-UXHICEINSA-N 0 3 358.445 3.026 20 30 FGEDHN N#Cc1cc(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ccc1F ZINC000288529019 497823318 /nfs/dbraw/zinc/82/33/18/497823318.db2.gz UMXBKNYLUYPAJQ-JOCHJYFZSA-N 0 3 363.436 3.436 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CCN1C ZINC000329552912 497827725 /nfs/dbraw/zinc/82/77/25/497827725.db2.gz AVYZVMUJHILZLN-ILOCAZANSA-N 0 3 357.502 3.053 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000569447522 505938408 /nfs/dbraw/zinc/93/84/08/505938408.db2.gz USPYUBSDBBUFNX-UZKOGDIHSA-N 0 3 353.462 3.057 20 30 FGEDHN CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000569458558 505940638 /nfs/dbraw/zinc/94/06/38/505940638.db2.gz FMQNZWDXDOKJEZ-FCHUYYIVSA-N 0 3 361.489 3.492 20 30 FGEDHN CN1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)[C@H]1c1ccccc1 ZINC000329757266 497890497 /nfs/dbraw/zinc/89/04/97/497890497.db2.gz MTQPMHWGDUIOPT-JRSUCEMESA-N 0 3 371.525 3.361 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@@H](CCO)C2)c2cccs2)CC1 ZINC000329769062 497895334 /nfs/dbraw/zinc/89/53/34/497895334.db2.gz HIMWJQNJSZVMCN-DLBZAZTESA-N 0 3 365.543 3.139 20 30 FGEDHN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC[C@@H]1Cc2ccccc2O1 ZINC000329789393 497901360 /nfs/dbraw/zinc/90/13/60/497901360.db2.gz BXCVKYMUKLDRBG-HAGHYFMRSA-N 0 3 372.509 3.352 20 30 FGEDHN N#Cc1ccncc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000578461164 505945001 /nfs/dbraw/zinc/94/50/01/505945001.db2.gz RNGVWOFJTQJWJP-QFIPXVFZSA-N 0 3 360.461 3.082 20 30 FGEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000299717144 497906451 /nfs/dbraw/zinc/90/64/51/497906451.db2.gz RPDAXRKQYUGGIS-KRWDZBQOSA-N 0 3 369.490 3.414 20 30 FGEDHN C[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)c2ccccc2NC1=O ZINC000329852243 497928032 /nfs/dbraw/zinc/92/80/32/497928032.db2.gz UOMSUAGYCJHURS-CQSZACIVSA-N 0 3 356.470 3.314 20 30 FGEDHN CCOc1ccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2ccccc2)cc1 ZINC000292256665 497941098 /nfs/dbraw/zinc/94/10/98/497941098.db2.gz FDJKBDRSWQBZLO-UHFFFAOYSA-O 0 3 355.483 3.454 20 30 FGEDHN C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@@H]2CCCCN2C2CC2)C1=O ZINC000329939048 497960513 /nfs/dbraw/zinc/96/05/13/497960513.db2.gz FJLYPODHFACEBO-RDJZCZTQSA-N 0 3 371.481 3.164 20 30 FGEDHN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000329976331 497977728 /nfs/dbraw/zinc/97/77/28/497977728.db2.gz FIYKCMSFEKSFDJ-RMHZUWNSSA-N 0 3 366.481 3.033 20 30 FGEDHN Cc1c(C(=O)NC2CC(N3CCCCC3)C2)nnn1-c1ccc(C)cc1 ZINC000330014991 497992252 /nfs/dbraw/zinc/99/22/52/497992252.db2.gz BIGBMJBONDZMIF-UHFFFAOYSA-N 0 3 353.470 3.206 20 30 FGEDHN CC(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)S(=O)(=O)C1CCOCC1 ZINC000330044735 498002235 /nfs/dbraw/zinc/00/22/35/498002235.db2.gz HULVKNCIYQDWQS-QKPAOTATSA-N 0 3 357.516 3.284 20 30 FGEDHN Cc1ccc([C@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)C2CC2)cc1 ZINC000330054860 498006108 /nfs/dbraw/zinc/00/61/08/498006108.db2.gz SRKWUSYUYLYDAE-KDOFPFPSSA-N 0 3 365.495 3.385 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000581339244 505964701 /nfs/dbraw/zinc/96/47/01/505964701.db2.gz OLUSWIRHISGUCY-LDQXTDLNSA-N 0 3 369.509 3.113 20 30 FGEDHN N#CC1(CCCN[C@@H](CN2CCCC2=O)c2ccccc2)CCOCC1 ZINC000281148457 498035390 /nfs/dbraw/zinc/03/53/90/498035390.db2.gz BDWZPFMZNNUESC-IBGZPJMESA-N 0 3 355.482 3.040 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000296429995 498040406 /nfs/dbraw/zinc/04/04/06/498040406.db2.gz SUAACUWYDBMPGC-RDJZCZTQSA-N 0 3 360.527 3.342 20 30 FGEDHN CN(C)Cc1ccccc1C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000330174113 498048809 /nfs/dbraw/zinc/04/88/09/498048809.db2.gz HWFOTZPLYPGXRH-IBGZPJMESA-N 0 3 357.498 3.377 20 30 FGEDHN C=CCN(Cc1nnc(C2CCC2)n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364654982 498070106 /nfs/dbraw/zinc/07/01/06/498070106.db2.gz ITGGGKYQXPGSSJ-FQEVSTJZSA-N 0 3 365.525 3.345 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3nc4c(cc3C#N)CCC4)CC2)C[C@H](C)O1 ZINC000330323470 498105547 /nfs/dbraw/zinc/10/55/47/498105547.db2.gz SWOWDGJNUCCVDF-IRXDYDNUSA-N 0 3 368.525 3.158 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000292687206 498109749 /nfs/dbraw/zinc/10/97/49/498109749.db2.gz FNHVBYPQOFKHII-UHFFFAOYSA-N 0 3 359.514 3.045 20 30 FGEDHN N#Cc1ccc(OC2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)c(F)c1 ZINC000285558588 498128993 /nfs/dbraw/zinc/12/89/93/498128993.db2.gz SHCARWDNEHHBJZ-FPOVZHCZSA-N 0 3 352.409 3.199 20 30 FGEDHN N#Cc1ccc(N2CCC(CN3CCOCC3)CC2)cc1C(F)(F)F ZINC000301503927 498139082 /nfs/dbraw/zinc/13/90/82/498139082.db2.gz GDNBRPZYMFHPBP-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN CCC1(CC)[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)[C@@H](C)[C@@H]1OC ZINC000581445240 505990021 /nfs/dbraw/zinc/99/00/21/505990021.db2.gz RVKRFOWRDCEKCR-MIGQKNRLSA-N 0 3 361.511 3.154 20 30 FGEDHN CC(C)c1ccccc1NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000330664460 498168764 /nfs/dbraw/zinc/16/87/64/498168764.db2.gz GCWYIKHPWVONDV-UHFFFAOYSA-N 0 3 360.502 3.079 20 30 FGEDHN CCC[C@H](C)C(=O)NCCNCc1ccc(OC)c(OCCCC#N)c1 ZINC000292851372 498171273 /nfs/dbraw/zinc/17/12/73/498171273.db2.gz ZIDTUQWNPTZCSN-INIZCTEOSA-N 0 3 361.486 3.020 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)nc1 ZINC000301621611 498193166 /nfs/dbraw/zinc/19/31/66/498193166.db2.gz NJZBSKIBISWJDZ-QFBILLFUSA-N 0 3 350.466 3.072 20 30 FGEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc(OC)c1Br ZINC000330892801 498212855 /nfs/dbraw/zinc/21/28/55/498212855.db2.gz DHRCRWCLKOWGLU-ZYHUDNBSSA-N 0 3 371.275 3.254 20 30 FGEDHN COCCCN1CCC(NC(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000330996982 498232704 /nfs/dbraw/zinc/23/27/04/498232704.db2.gz XTQQPDMIZLPPDO-UHFFFAOYSA-N 0 3 361.273 3.215 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000331523593 498360045 /nfs/dbraw/zinc/36/00/45/498360045.db2.gz JXHUGXOEFRNJPO-POAQFYNOSA-N 0 3 355.482 3.047 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297221836 498364433 /nfs/dbraw/zinc/36/44/33/498364433.db2.gz WARZDEJAMNKKHQ-GFCCVEGCSA-N 0 3 362.421 3.005 20 30 FGEDHN Cc1cc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc2cccnc12 ZINC000578831681 506030306 /nfs/dbraw/zinc/03/03/06/506030306.db2.gz GJHSLRLCEHMJMI-OAQYLSRUSA-N 0 3 370.456 3.306 20 30 FGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(N3CCOCC3)c2)cc1 ZINC000293656637 498443552 /nfs/dbraw/zinc/44/35/52/498443552.db2.gz IFZZUVOCKQZMLT-GOSISDBHSA-N 0 3 350.462 3.386 20 30 FGEDHN CN1CC[C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@H]1c1cccs1 ZINC000362063321 498459713 /nfs/dbraw/zinc/45/97/13/498459713.db2.gz FOWZXAAMNJCHIF-JXFKEZNVSA-N 0 3 369.490 3.002 20 30 FGEDHN N#Cc1c(F)ccc(CNC[C@H]2CCCN(c3ncccn3)C2)c1Cl ZINC000365430600 498463623 /nfs/dbraw/zinc/46/36/23/498463623.db2.gz XACDKGPQZWLCHN-CYBMUJFWSA-N 0 3 359.836 3.147 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1c(C#N)cnc2ccccc21 ZINC000302429254 498482569 /nfs/dbraw/zinc/48/25/69/498482569.db2.gz KVMDVDFSDLDAHZ-QHCPKHFHSA-N 0 3 372.472 3.180 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cn4cc(Cl)ccc4n3)CC2)nc1 ZINC000362732303 498547183 /nfs/dbraw/zinc/54/71/83/498547183.db2.gz WFECJJUCXMWZIS-UHFFFAOYSA-N 0 3 366.856 3.013 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(C2)CCCCC3)cc1 ZINC000286985064 498580419 /nfs/dbraw/zinc/58/04/19/498580419.db2.gz CGOGILBHCWDPBU-AWEZNQCLSA-N 0 3 361.467 3.170 20 30 FGEDHN CCN1CCN(Cc2ccc(CNc3c(C#N)cccc3C#N)cc2)CC1 ZINC000302844011 498598760 /nfs/dbraw/zinc/59/87/60/498598760.db2.gz NEESGPWBLZNRRT-UHFFFAOYSA-N 0 3 359.477 3.180 20 30 FGEDHN CSCc1cccnc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000290605363 498617254 /nfs/dbraw/zinc/61/72/54/498617254.db2.gz AYMLBFPULXRWJZ-UHFFFAOYSA-N 0 3 368.506 3.020 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000569988564 506063307 /nfs/dbraw/zinc/06/33/07/506063307.db2.gz RMRJRVVOGMVJNN-KRWDZBQOSA-N 0 3 367.415 3.264 20 30 FGEDHN CCc1cccc2c1OCC[C@@H]2NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000578980052 506066886 /nfs/dbraw/zinc/06/68/86/506066886.db2.gz QVLFBOVBOXIGDV-RXVVDRJESA-N 0 3 366.461 3.168 20 30 FGEDHN CCc1cccc2c1OCC[C@H]2NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000578980053 506067016 /nfs/dbraw/zinc/06/70/16/506067016.db2.gz QVLFBOVBOXIGDV-WIYYLYMNSA-N 0 3 366.461 3.168 20 30 FGEDHN N#Cc1ccc(OCCN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000363105586 498652284 /nfs/dbraw/zinc/65/22/84/498652284.db2.gz XGOJUDSRXQPOJV-OAQYLSRUSA-N 0 3 361.445 3.385 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000290711806 498655372 /nfs/dbraw/zinc/65/53/72/498655372.db2.gz KZGAVUMXXFTSLV-HXUWFJFHSA-N 0 3 369.509 3.030 20 30 FGEDHN C=CCN(Cc1ncc([C@H](C)O)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366001931 498726675 /nfs/dbraw/zinc/72/66/75/498726675.db2.gz AXZCQDLCSXZADQ-FUHWJXTLSA-N 0 3 357.523 3.459 20 30 FGEDHN Cc1cc(C)cc([C@H](O)CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000282991839 498737722 /nfs/dbraw/zinc/73/77/22/498737722.db2.gz MYXWVLUREMJCLL-OAQYLSRUSA-N 0 3 360.461 3.399 20 30 FGEDHN C=C(C)CN1CCC(c2noc([C@@H](OC(C)=O)c3ccccc3)n2)CC1 ZINC000363285695 498745687 /nfs/dbraw/zinc/74/56/87/498745687.db2.gz QNUGPNXGCIXPEW-SFHVURJKSA-N 0 3 355.438 3.478 20 30 FGEDHN COCCOCc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000291022152 498761238 /nfs/dbraw/zinc/76/12/38/498761238.db2.gz HAKBNQSBHCMJME-UHFFFAOYSA-N 0 3 367.493 3.489 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(C)C ZINC000298417667 498764558 /nfs/dbraw/zinc/76/45/58/498764558.db2.gz KWHFZRIIKZXEFA-CQSZACIVSA-N 0 3 371.403 3.234 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000363360018 498779633 /nfs/dbraw/zinc/77/96/33/498779633.db2.gz BJDHWFCZDFWCIH-MAUKXSAKSA-N 0 3 356.857 3.353 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)Cc3cccc(C#N)c3)C2)s1 ZINC000570100381 506090811 /nfs/dbraw/zinc/09/08/11/506090811.db2.gz NMOCHPTYVMRTMC-IBGZPJMESA-N 0 3 367.518 3.451 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291118021 498802375 /nfs/dbraw/zinc/80/23/75/498802375.db2.gz AQKMWXNQGUIFSZ-SJORKVTESA-N 0 3 372.513 3.070 20 30 FGEDHN CCN(Cc1noc(C)n1)[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000328625814 498879808 /nfs/dbraw/zinc/87/98/08/498879808.db2.gz DMVRUVZJUPDBGO-IBGZPJMESA-N 0 3 353.470 3.126 20 30 FGEDHN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCN(CC3CCCCC3)CC1)CCC2 ZINC000328655165 498891535 /nfs/dbraw/zinc/89/15/35/498891535.db2.gz MNNDMGLEVBPWKM-LJQANCHMSA-N 0 3 373.545 3.181 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccc(OC3CCCC3)cc2)cc1 ZINC000581997918 506109303 /nfs/dbraw/zinc/10/93/03/506109303.db2.gz KHDIMNGXVMRPTR-LJQANCHMSA-N 0 3 366.461 3.409 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000328733346 498919208 /nfs/dbraw/zinc/91/92/08/498919208.db2.gz HQNRYILSCKVSQX-DOTOQJQBSA-N 0 3 368.399 3.352 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccnc(OCc4ccccc4)c3)[C@H]2C1 ZINC000328733211 498919638 /nfs/dbraw/zinc/91/96/38/498919638.db2.gz XWVOJCKSCVOPBF-MJGOQNOKSA-N 0 3 366.465 3.232 20 30 FGEDHN CC(C)(CNC(=O)Cc1cc(F)cc2c1OCOC2)N1CCCCC1 ZINC000328759893 498928663 /nfs/dbraw/zinc/92/86/63/498928663.db2.gz WSTOCVADYNULNY-UHFFFAOYSA-N 0 3 350.434 3.456 20 30 FGEDHN Cc1nc2c(cccc2C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000283617119 498938794 /nfs/dbraw/zinc/93/87/94/498938794.db2.gz ZYJUKVGARWODAZ-UHFFFAOYSA-N 0 3 373.460 3.091 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2nn(-c3ccc(F)cc3)cc2C)CC1 ZINC000283631904 498942547 /nfs/dbraw/zinc/94/25/47/498942547.db2.gz OZYASOBKNPZAJL-UHFFFAOYSA-N 0 3 356.445 3.090 20 30 FGEDHN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328826100 498951373 /nfs/dbraw/zinc/95/13/73/498951373.db2.gz QDHGOUOZSUYBNX-BGRCLHOASA-N 0 3 369.465 3.073 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000576268496 506117187 /nfs/dbraw/zinc/11/71/87/506117187.db2.gz ZTCPFPTYIZJYTL-ICSRJNTNSA-N 0 3 368.868 3.185 20 30 FGEDHN C[C@@H](CCOCc1ccccc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000288203622 498966713 /nfs/dbraw/zinc/96/67/13/498966713.db2.gz CSWFAPCFWGFLBC-LAUBAEHRSA-N 0 3 361.445 3.352 20 30 FGEDHN CNC(=O)[C@@H](CNCc1ccc(C#N)c(C)c1)Cc1ccc(F)cc1C ZINC000576279490 506120083 /nfs/dbraw/zinc/12/00/83/506120083.db2.gz YIIZNKGFJFPKSX-LJQANCHMSA-N 0 3 353.441 3.009 20 30 FGEDHN CN1C(=O)c2ccc(NC(=O)CN3CC(C)(C)[C@@H]4CCC[C@H]43)cc2C1=O ZINC000328876295 498969742 /nfs/dbraw/zinc/96/97/42/498969742.db2.gz SKJANPZCFNNEJG-HZPDHXFCSA-N 0 3 355.438 3.011 20 30 FGEDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000328899594 498979723 /nfs/dbraw/zinc/97/97/23/498979723.db2.gz YZWXRQLMBMVBOV-GJZGRUSLSA-N 0 3 359.470 3.092 20 30 FGEDHN C#CCC(CC#C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000288338293 498997968 /nfs/dbraw/zinc/99/79/68/498997968.db2.gz VRDZOKLCABWZGQ-OAQYLSRUSA-N 0 3 374.488 3.240 20 30 FGEDHN N#Cc1ccc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000582065826 506125353 /nfs/dbraw/zinc/12/53/53/506125353.db2.gz GHDZLLSVTQVARJ-HSALFYBXSA-N 0 3 363.417 3.471 20 30 FGEDHN Cc1ccc(CN2CCC(CNC(=O)NCC3(CC#N)CC3)CC2)cc1 ZINC000366633165 499010893 /nfs/dbraw/zinc/01/08/93/499010893.db2.gz JJOBYXFPQUKVMI-UHFFFAOYSA-N 0 3 354.498 3.200 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000329000913 499011217 /nfs/dbraw/zinc/01/12/17/499011217.db2.gz LBUKAFWAVXYQRO-HZPDHXFCSA-N 0 3 369.513 3.492 20 30 FGEDHN C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329038327 499023101 /nfs/dbraw/zinc/02/31/01/499023101.db2.gz NMOLCLXQRMQZEV-MJKGWSOKSA-N 0 3 352.519 3.164 20 30 FGEDHN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)[C@@H]1CCC[C@H]1O ZINC000329045031 499024027 /nfs/dbraw/zinc/02/40/27/499024027.db2.gz FMNNNAFOVDUVTL-LKZHAKSLSA-N 0 3 363.502 3.059 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000284042823 499036276 /nfs/dbraw/zinc/03/62/76/499036276.db2.gz IYZNTXSXWFNRIV-HXUWFJFHSA-N 0 3 371.525 3.047 20 30 FGEDHN C[C@@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000329093976 499039243 /nfs/dbraw/zinc/03/92/43/499039243.db2.gz BDFLHWRQDIVJOB-CQSZACIVSA-N 0 3 361.442 3.472 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CCO1 ZINC000329097562 499040467 /nfs/dbraw/zinc/04/04/67/499040467.db2.gz LRAWFPYNHPQVKN-JYYAWHABSA-N 0 3 351.516 3.202 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000363940701 499060262 /nfs/dbraw/zinc/06/02/62/499060262.db2.gz UGZSHTYXFTWPMQ-FUHWJXTLSA-N 0 3 353.470 3.360 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000363940706 499060517 /nfs/dbraw/zinc/06/05/17/499060517.db2.gz UGZSHTYXFTWPMQ-WMZOPIPTSA-N 0 3 353.470 3.360 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)CN3CCCCCC3=O)c2)CC1 ZINC000329185424 499066474 /nfs/dbraw/zinc/06/64/74/499066474.db2.gz OPPZQEQRSSTABA-UHFFFAOYSA-N 0 3 372.513 3.208 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000329233849 499079623 /nfs/dbraw/zinc/07/96/23/499079623.db2.gz HGGMDAZQBRPDGS-CVEARBPZSA-N 0 3 374.533 3.101 20 30 FGEDHN C[C@H](C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)N1CCCCCC1 ZINC000329272899 499088597 /nfs/dbraw/zinc/08/85/97/499088597.db2.gz JTAZXQAJZDIZKD-BMFZPTHFSA-N 0 3 362.474 3.388 20 30 FGEDHN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000329296235 499093406 /nfs/dbraw/zinc/09/34/06/499093406.db2.gz STOQXRNBDKEWRO-KBAYOESNSA-N 0 3 373.497 3.067 20 30 FGEDHN C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1=CCN(C)CC1 ZINC000329321857 499099066 /nfs/dbraw/zinc/09/90/66/499099066.db2.gz UNGWESCXGWQVAQ-GUYCJALGSA-N 0 3 361.873 3.300 20 30 FGEDHN O=C(COc1cccc(NC(=O)C2CC2)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000329331316 499101383 /nfs/dbraw/zinc/10/13/83/499101383.db2.gz WCVYHGVHNZYKMB-GOSISDBHSA-N 0 3 371.481 3.150 20 30 FGEDHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N[C@H](C)C3)cc2)CC1 ZINC000329341088 499103385 /nfs/dbraw/zinc/10/33/85/499103385.db2.gz OSUFUNALSIKDDC-APWZRJJASA-N 0 3 372.513 3.036 20 30 FGEDHN N#CC1CCC(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000573166807 506134281 /nfs/dbraw/zinc/13/42/81/506134281.db2.gz MIBMEGIMCRYQRM-QLOJAFMTSA-N 0 3 354.498 3.453 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000367028231 499136128 /nfs/dbraw/zinc/13/61/28/499136128.db2.gz VCEPMDWKDOYBNH-KRWDZBQOSA-N 0 3 351.454 3.286 20 30 FGEDHN COc1cc(OC)cc(N2CCC(NCc3ccc(C#N)s3)CC2)c1 ZINC000372698928 499162584 /nfs/dbraw/zinc/16/25/84/499162584.db2.gz BIJQCKCUHVUXHZ-UHFFFAOYSA-N 0 3 357.479 3.396 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)N2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000367321908 499181305 /nfs/dbraw/zinc/18/13/05/499181305.db2.gz LHBVFMYIMAWMRD-HNNXBMFYSA-N 0 3 361.453 3.042 20 30 FGEDHN Cn1cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000367477491 499203820 /nfs/dbraw/zinc/20/38/20/499203820.db2.gz PHGBZPQBRHCHPQ-QGZVFWFLSA-N 0 3 374.448 3.209 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000367693911 499225294 /nfs/dbraw/zinc/22/52/94/499225294.db2.gz NCLQNODMLVHBBQ-INMHGKMJSA-N 0 3 358.511 3.496 20 30 FGEDHN C[C@H](NC(=O)NC[C@H]1CCCN1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370557003 499231599 /nfs/dbraw/zinc/23/15/99/499231599.db2.gz JBUCPWCRVZDUOD-XJKSGUPXSA-N 0 3 369.494 3.136 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCc3ncccc3C1)CCCC2 ZINC000368333690 499286414 /nfs/dbraw/zinc/28/64/14/499286414.db2.gz UPEXMPSPQRWOLI-UHFFFAOYSA-N 0 3 366.490 3.280 20 30 FGEDHN C/C=C\c1ccc(OC[C@H](O)CNCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000573199928 506141693 /nfs/dbraw/zinc/14/16/93/506141693.db2.gz NLBAZMYXFINAHP-DDKKJVIOSA-N 0 3 370.424 3.269 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](Cc2ccncc2)C1 ZINC000368613947 499313928 /nfs/dbraw/zinc/31/39/28/499313928.db2.gz OJXMOISDOBYRAP-AZUAARDMSA-N 0 3 362.477 3.281 20 30 FGEDHN Cc1nc(C)n(C[C@@H]2CCCCN2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000371385929 499318772 /nfs/dbraw/zinc/31/87/72/499318772.db2.gz ZRVSFGPSRKWGPI-NRFANRHFSA-N 0 3 366.513 3.300 20 30 FGEDHN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000369156933 499372174 /nfs/dbraw/zinc/37/21/74/499372174.db2.gz PIJKZTBXHOXRNH-MAUKXSAKSA-N 0 3 353.445 3.067 20 30 FGEDHN CN1CC[C@H](CNC(=O)c2ccc(C#N)nc2)[C@H]1c1cccc(Cl)c1 ZINC000369358252 499395229 /nfs/dbraw/zinc/39/52/29/499395229.db2.gz KQCMUVXRZFDLTA-RDTXWAMCSA-N 0 3 354.841 3.029 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2ccc(C#N)nc2)[C@@H]1c1cccc(Cl)c1 ZINC000369358250 499395322 /nfs/dbraw/zinc/39/53/22/499395322.db2.gz KQCMUVXRZFDLTA-KSSFIOAISA-N 0 3 354.841 3.029 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)cc1OC ZINC000372080214 499396831 /nfs/dbraw/zinc/39/68/31/499396831.db2.gz CGRUCVVNRPCLFS-OALUTQOASA-N 0 3 358.482 3.235 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000373336932 499464058 /nfs/dbraw/zinc/46/40/58/499464058.db2.gz JDXHAVROTWNDDS-PWRODBHTSA-N 0 3 371.525 3.266 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000373499905 499473508 /nfs/dbraw/zinc/47/35/08/499473508.db2.gz BHXXBTJQIXROBQ-AYWYSENESA-N 0 3 369.509 3.080 20 30 FGEDHN Cc1cc(NC(=O)C(C)(C)C#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000378195580 499489247 /nfs/dbraw/zinc/48/92/47/499489247.db2.gz CMNQNUWCXWNISF-QGZVFWFLSA-N 0 3 351.454 3.127 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000378397547 499511886 /nfs/dbraw/zinc/51/18/86/499511886.db2.gz PDTFMKRNDAIARQ-FQEVSTJZSA-N 0 3 367.493 3.052 20 30 FGEDHN CN(C(=O)[C@@H]1CC12CCN(CCCOc1cccc(C#N)c1)CC2)C1CC1 ZINC000378466897 499520622 /nfs/dbraw/zinc/52/06/22/499520622.db2.gz NVFLCEMWWOYMMJ-FQEVSTJZSA-N 0 3 367.493 3.050 20 30 FGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000375516178 499527483 /nfs/dbraw/zinc/52/74/83/499527483.db2.gz YMRBOCQDNXIBBF-IFXJQAMLSA-N 0 3 370.522 3.332 20 30 FGEDHN CC(C)n1ncc2c1[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000375668409 499543201 /nfs/dbraw/zinc/54/32/01/499543201.db2.gz GEHQBMGXXPHNJR-OALUTQOASA-N 0 3 361.449 3.212 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCCN(c2ccccc2F)CC1 ZINC000375839390 499560955 /nfs/dbraw/zinc/56/09/55/499560955.db2.gz MKUYZDPJPMDILH-UHFFFAOYSA-N 0 3 372.469 3.300 20 30 FGEDHN C#CCCOc1ccc(CN2CCC[C@H](c3ccnc(COC)n3)C2)cc1 ZINC000375850670 499561969 /nfs/dbraw/zinc/56/19/69/499561969.db2.gz PZORIJQXAMYCFP-IBGZPJMESA-N 0 3 365.477 3.405 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3ccc(F)c(C#N)c3Cl)CC2)nc1 ZINC000375947323 499570634 /nfs/dbraw/zinc/57/06/34/499570634.db2.gz MTMVIHGVEYDMGD-UHFFFAOYSA-N 0 3 369.831 3.376 20 30 FGEDHN CC[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000376439139 499608802 /nfs/dbraw/zinc/60/88/02/499608802.db2.gz AXTKKFJJWDQANE-LEWJYISDSA-N 0 3 357.498 3.196 20 30 FGEDHN Cc1ccccc1[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000376753484 499633580 /nfs/dbraw/zinc/63/35/80/499633580.db2.gz OYTCJOVXLDINDS-CTNGQTDRSA-N 0 3 359.429 3.149 20 30 FGEDHN C=CCN1CC[C@@H](N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)C1=O ZINC000410345266 499656307 /nfs/dbraw/zinc/65/63/07/499656307.db2.gz PKESBDPONCZVCM-RTBURBONSA-N 0 3 372.509 3.278 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000377084487 499660344 /nfs/dbraw/zinc/66/03/44/499660344.db2.gz RSFPMLJGQXIWNV-PXNSSMCTSA-N 0 3 353.470 3.032 20 30 FGEDHN COC(=O)[C@H](C)[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411389939 499733116 /nfs/dbraw/zinc/73/31/16/499733116.db2.gz MXJJHLLKYIGGIF-QRWLVFNGSA-N 0 3 365.433 3.027 20 30 FGEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411643616 499772619 /nfs/dbraw/zinc/77/26/19/499772619.db2.gz PKPXLJUJWUWATK-HXUWFJFHSA-N 0 3 351.450 3.236 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2 ZINC000582210844 506159071 /nfs/dbraw/zinc/15/90/71/506159071.db2.gz LHEXQYIOPWNQEC-IRLDBZIGSA-N 0 3 359.473 3.369 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1Cl ZINC000411948963 499805963 /nfs/dbraw/zinc/80/59/63/499805963.db2.gz QCPKMEIHNLNHDD-PKOBYXMFSA-N 0 3 369.852 3.348 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000414556021 499807991 /nfs/dbraw/zinc/80/79/91/499807991.db2.gz VCTHMJTTXXQLAR-LJQANCHMSA-N 0 3 355.482 3.346 20 30 FGEDHN N#Cc1ccccc1OCCN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412015309 499813219 /nfs/dbraw/zinc/81/32/19/499813219.db2.gz ZQCUYTYHRJYPQR-NRFANRHFSA-N 0 3 366.461 3.057 20 30 FGEDHN C[C@@H]1CN(CCCCNc2cc(C(F)(F)F)cnc2C#N)C[C@H](C)O1 ZINC000413190631 499924668 /nfs/dbraw/zinc/92/46/68/499924668.db2.gz XGZBAYBUYAKAOU-BETUJISGSA-N 0 3 356.392 3.273 20 30 FGEDHN CNCc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000415916071 499927997 /nfs/dbraw/zinc/92/79/97/499927997.db2.gz GZCXUVWHPOMNJX-UHFFFAOYSA-N 0 3 364.449 3.353 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000413235213 499930680 /nfs/dbraw/zinc/93/06/80/499930680.db2.gz JIEZIGAQYPVMLN-HXUWFJFHSA-N 0 3 369.509 3.200 20 30 FGEDHN N#Cc1ccc2c(c1)CCN2C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000416008450 499940444 /nfs/dbraw/zinc/94/04/44/499940444.db2.gz BFCQRPFYNNOOTH-UHFFFAOYSA-N 0 3 374.488 3.050 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)CCN1CCc2ccccc2C1 ZINC000416144782 499957342 /nfs/dbraw/zinc/95/73/42/499957342.db2.gz JXTQRTPQAWDQAN-UHFFFAOYSA-N 0 3 364.449 3.151 20 30 FGEDHN CC(C)(C)OC(=O)C(C)(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000424950460 499973887 /nfs/dbraw/zinc/97/38/87/499973887.db2.gz NCPXNODNRMYFJE-KRWDZBQOSA-N 0 3 369.465 3.115 20 30 FGEDHN CN(C)C1(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000416309285 500010556 /nfs/dbraw/zinc/01/05/56/500010556.db2.gz VJHCNLLCVPKDSY-UHFFFAOYSA-N 0 3 374.916 3.029 20 30 FGEDHN COc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)ccc1OCCN(C)C ZINC000416336410 500018689 /nfs/dbraw/zinc/01/86/89/500018689.db2.gz ZJSOVTVNCSTMFN-OAHLLOKOSA-N 0 3 367.449 3.249 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1F ZINC000421344240 500021786 /nfs/dbraw/zinc/02/17/86/500021786.db2.gz OXIYOHKYYAPWIQ-QGZVFWFLSA-N 0 3 365.387 3.200 20 30 FGEDHN C[C@H]1CN(c2cccc(F)c2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000429241846 500031918 /nfs/dbraw/zinc/03/19/18/500031918.db2.gz NWUAWBVBMIHEKU-INIZCTEOSA-N 0 3 366.440 3.237 20 30 FGEDHN C=CCN1CC[C@@H](N[C@@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000429271616 500038824 /nfs/dbraw/zinc/03/88/24/500038824.db2.gz IEZHPIYPNOSDPD-HZPDHXFCSA-N 0 3 363.299 3.449 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000425253732 500057947 /nfs/dbraw/zinc/05/79/47/500057947.db2.gz DBZQITPQWIYKPN-SFHVURJKSA-N 0 3 366.421 3.169 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429371003 500062251 /nfs/dbraw/zinc/06/22/51/500062251.db2.gz HAFYMSHLZUMYKQ-ABAIWWIYSA-N 0 3 351.288 3.353 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2CCc3c2cccc3C#N)[C@H](C(F)(F)F)C1 ZINC000421658663 500108232 /nfs/dbraw/zinc/10/82/32/500108232.db2.gz UGSPWUGZRHXSPN-HUUCEWRRSA-N 0 3 365.399 3.356 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000425500288 500125422 /nfs/dbraw/zinc/12/54/22/500125422.db2.gz LNLRIRKJFDOGLX-ZCNNSNEGSA-N 0 3 359.514 3.033 20 30 FGEDHN COc1cccc(COC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425534891 500135736 /nfs/dbraw/zinc/13/57/36/500135736.db2.gz MLRSVSRPRDDQEK-UZLBHIALSA-N 0 3 354.450 3.137 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000425860570 500206046 /nfs/dbraw/zinc/20/60/46/500206046.db2.gz UEIIMXNNMHMTJO-HZEGPAAWSA-N 0 3 371.525 3.445 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(CNC(N)=O)cc2)s1 ZINC000430641289 500264681 /nfs/dbraw/zinc/26/46/81/500264681.db2.gz LWSMGOSAZARKPC-CYBMUJFWSA-N 0 3 356.451 3.099 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(C)C ZINC000430898937 500303877 /nfs/dbraw/zinc/30/38/77/500303877.db2.gz GBLGBKYUOREEKE-PMACEKPBSA-N 0 3 367.493 3.074 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C ZINC000430906186 500304961 /nfs/dbraw/zinc/30/49/61/500304961.db2.gz JABLXIQXOOACRF-VQTJNVASSA-N 0 3 369.509 3.190 20 30 FGEDHN CN(C(=O)CNc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000426876237 500331894 /nfs/dbraw/zinc/33/18/94/500331894.db2.gz RXBCNGBWLYEJLA-OAQYLSRUSA-N 0 3 362.477 3.093 20 30 FGEDHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423033341 500333070 /nfs/dbraw/zinc/33/30/70/500333070.db2.gz OIUCQWRUUWEKHI-IWMITWMQSA-N 0 3 363.461 3.169 20 30 FGEDHN Cc1ccc(CC(C)(C)NCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000419339879 500356289 /nfs/dbraw/zinc/35/62/89/500356289.db2.gz VMRRBTXFPFKRDT-UHFFFAOYSA-N 0 3 356.491 3.251 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)NCC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000419628601 500386145 /nfs/dbraw/zinc/38/61/45/500386145.db2.gz PYYQBAHVZYBPAD-HKUYNNGSSA-N 0 3 354.498 3.375 20 30 FGEDHN N#CC1(CNC(=O)N2CCCN(CCCc3ccccc3)CC2)CCC1 ZINC000419631010 500386207 /nfs/dbraw/zinc/38/62/07/500386207.db2.gz UJVMSHYZPAFDAB-UHFFFAOYSA-N 0 3 354.498 3.030 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000424079126 500449039 /nfs/dbraw/zinc/44/90/39/500449039.db2.gz FKXFRIJHPXWZPH-LLVKDONJSA-N 0 3 364.165 3.428 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000424084608 500450267 /nfs/dbraw/zinc/45/02/67/500450267.db2.gz CBEVWJJPDNQSKI-JTQLQIEISA-N 0 3 372.372 3.197 20 30 FGEDHN CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@H](N)CCCC#N ZINC000424090225 500451094 /nfs/dbraw/zinc/45/10/94/500451094.db2.gz MEWYULYZLVXRAF-OAHLLOKOSA-N 0 3 370.266 3.346 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000424102273 500453488 /nfs/dbraw/zinc/45/34/88/500453488.db2.gz OIYRNRGWTWDNLY-OAHLLOKOSA-N 0 3 364.287 3.008 20 30 FGEDHN C=CCn1c(C(C)C)nnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424111163 500455185 /nfs/dbraw/zinc/45/51/85/500455185.db2.gz FXCJITIFCFJREN-RBUKOAKNSA-N 0 3 351.498 3.298 20 30 FGEDHN Cc1nnc(Sc2ccc(NC(=O)[C@@H](N)CCCC#N)c(C)c2)s1 ZINC000424113073 500455668 /nfs/dbraw/zinc/45/56/68/500455668.db2.gz LVKFYWMUWBMCLQ-ZDUSSCGKSA-N 0 3 361.496 3.266 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000424114780 500455876 /nfs/dbraw/zinc/45/58/76/500455876.db2.gz SRKOWJUEANFLFJ-RBUKOAKNSA-N 0 3 357.404 3.386 20 30 FGEDHN CCN(c1ccccc1)c1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424128071 500458282 /nfs/dbraw/zinc/45/82/82/500458282.db2.gz QTRHAVPKTIRXCC-FQEVSTJZSA-N 0 3 350.466 3.482 20 30 FGEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424146107 500459922 /nfs/dbraw/zinc/45/99/22/500459922.db2.gz OYSDPVVOOBJKDK-QAPCUYQASA-N 0 3 353.470 3.302 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2cccc(C#N)c2)C1 ZINC000576608896 506198206 /nfs/dbraw/zinc/19/82/06/506198206.db2.gz GWVCHRMGYVYEDN-DYESRHJHSA-N 0 3 362.477 3.235 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000420814070 500508094 /nfs/dbraw/zinc/50/80/94/500508094.db2.gz WKTCAFVYLZNINZ-RDJZCZTQSA-N 0 3 368.506 3.472 20 30 FGEDHN CO[C@@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1 ZINC000428784191 500556928 /nfs/dbraw/zinc/55/69/28/500556928.db2.gz OKSFLDJRVOSCFE-ROUUACIJSA-N 0 3 357.841 3.447 20 30 FGEDHN C[C@H]1CN(CCCNc2nc3c(cc2C#N)CCCC3(C)C)CCCO1 ZINC000432866831 500580366 /nfs/dbraw/zinc/58/03/66/500580366.db2.gz MVRPUBYMTALKNO-INIZCTEOSA-N 0 3 356.514 3.480 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCC2CC(OC(C)(C)C)C2)CC1 ZINC000432909018 500589009 /nfs/dbraw/zinc/58/90/09/500589009.db2.gz BRKYXNAXZFRVJH-UHFFFAOYSA-N 0 3 351.535 3.310 20 30 FGEDHN COc1ccc(CNC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433013055 500606476 /nfs/dbraw/zinc/60/64/76/500606476.db2.gz WAXJJAGQAFONIT-FQEVSTJZSA-N 0 3 351.450 3.336 20 30 FGEDHN N#CCCC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000433013907 500607139 /nfs/dbraw/zinc/60/71/39/500607139.db2.gz PXQKOEVNHBOAJI-FQEVSTJZSA-N 0 3 367.474 3.357 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000437248433 500620636 /nfs/dbraw/zinc/62/06/36/500620636.db2.gz FYDRPVUAKMLOBZ-JXFKEZNVSA-N 0 3 369.465 3.120 20 30 FGEDHN CC[C@H](N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447576462 500628197 /nfs/dbraw/zinc/62/81/97/500628197.db2.gz YNWOPDLNRPQRIC-FPOVZHCZSA-N 0 3 363.461 3.279 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000433225761 500650434 /nfs/dbraw/zinc/65/04/34/500650434.db2.gz JXZRJIUCPPTOCY-NRFANRHFSA-N 0 3 358.445 3.320 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000437614569 500669351 /nfs/dbraw/zinc/66/93/51/500669351.db2.gz FMWDSUOKMBAYSI-TZIWHRDSSA-N 0 3 371.525 3.453 20 30 FGEDHN COc1ccccc1O[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433363574 500681238 /nfs/dbraw/zinc/68/12/38/500681238.db2.gz HVBOKJDUEAQLMD-AEFFLSMTSA-N 0 3 352.434 3.351 20 30 FGEDHN N#Cc1nc(NCCCN2CCc3ccccc3C2)ccc1C(F)(F)F ZINC000443508954 500732097 /nfs/dbraw/zinc/73/20/97/500732097.db2.gz LRKOQOCTXMBDPN-UHFFFAOYSA-N 0 3 360.383 3.254 20 30 FGEDHN C=CCc1cc(CN[C@H]2CCCO[C@@H]2c2cnn(CC)c2)cc(OC)c1O ZINC000433934324 500766901 /nfs/dbraw/zinc/76/69/01/500766901.db2.gz PESIPSXYLRPFQV-GHTZIAJQSA-N 0 3 371.481 3.356 20 30 FGEDHN CC(C)(CNC(=O)c1cccc(C#N)c1Br)N1CCCCC1 ZINC000448583129 500776873 /nfs/dbraw/zinc/77/68/73/500776873.db2.gz QXNGIXWHQLKGGP-UHFFFAOYSA-N 0 3 364.287 3.315 20 30 FGEDHN Cc1cc(CNC[C@H](c2cccc(F)c2)N2CCOCC2)ccc1C#N ZINC000443970922 500785664 /nfs/dbraw/zinc/78/56/64/500785664.db2.gz JTVUKYSWJCLPPB-OAQYLSRUSA-N 0 3 353.441 3.169 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](OC(F)F)C2)cc1Cl ZINC000611577354 506220388 /nfs/dbraw/zinc/22/03/88/506220388.db2.gz IAAMGZQADCGDCL-ZDUSSCGKSA-N 0 3 357.788 3.244 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 ZINC000448912804 500867500 /nfs/dbraw/zinc/86/75/00/500867500.db2.gz RSYIJCPVZILYJC-DENIHFKCSA-N 0 3 369.509 3.286 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 ZINC000448913028 500868119 /nfs/dbraw/zinc/86/81/19/500868119.db2.gz RSYIJCPVZILYJC-UGKGYDQZSA-N 0 3 369.509 3.286 20 30 FGEDHN N#CC(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccncn1 ZINC000434643744 500871780 /nfs/dbraw/zinc/87/17/80/500871780.db2.gz RPBHGZCGCNWAFV-CYBMUJFWSA-N 0 3 352.300 3.432 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C1(CC)CC ZINC000434862281 500903615 /nfs/dbraw/zinc/90/36/15/500903615.db2.gz REOSARPBFNJAHY-BZUAXINKSA-N 0 3 361.511 3.298 20 30 FGEDHN C[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000439574160 500915074 /nfs/dbraw/zinc/91/50/74/500915074.db2.gz UWOMPEBYMJUSPR-IERDGZPVSA-N 0 3 371.444 3.200 20 30 FGEDHN CC(C)(C)NS(=O)(=O)c1ccccc1CNC1CCC(C)(C#N)CC1 ZINC000449105629 500926418 /nfs/dbraw/zinc/92/64/18/500926418.db2.gz ZJWNLEGZJNOVFA-UHFFFAOYSA-N 0 3 363.527 3.325 20 30 FGEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435265108 500949344 /nfs/dbraw/zinc/94/93/44/500949344.db2.gz YWWZSVKAWZEHRX-OAQYLSRUSA-N 0 3 359.473 3.323 20 30 FGEDHN COC(=O)COC[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000449233067 500953601 /nfs/dbraw/zinc/95/36/01/500953601.db2.gz KCUQVVNSTUSZRH-JKSUJKDBSA-N 0 3 352.434 3.454 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)Cc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000449357145 500985498 /nfs/dbraw/zinc/98/54/98/500985498.db2.gz BRTBOKDQEPKSJM-MRXNPFEDSA-N 0 3 352.331 3.409 20 30 FGEDHN C=CC(C)(C)CNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449487109 501015089 /nfs/dbraw/zinc/01/50/89/501015089.db2.gz WTMMQQCQARRKNA-LBPRGKRZSA-N 0 3 369.303 3.264 20 30 FGEDHN COc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1OCCCC#N ZINC000449556326 501033175 /nfs/dbraw/zinc/03/31/75/501033175.db2.gz SCFJUDOGCIWGKI-CEXWTWQISA-N 0 3 358.482 3.361 20 30 FGEDHN CN(C)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1c(F)cccc1F ZINC000435927873 501047407 /nfs/dbraw/zinc/04/74/07/501047407.db2.gz NVFNRFIEBWUQEQ-APWZRJJASA-N 0 3 371.431 3.456 20 30 FGEDHN CN(C)[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1c(F)cccc1F ZINC000435927878 501047698 /nfs/dbraw/zinc/04/76/98/501047698.db2.gz NVFNRFIEBWUQEQ-VQIMIIECSA-N 0 3 371.431 3.456 20 30 FGEDHN COc1cc(CNCCNc2ncc(Cl)cc2Cl)ccc1C#N ZINC000440830061 501054426 /nfs/dbraw/zinc/05/44/26/501054426.db2.gz XSJJVUPCDOLXSV-UHFFFAOYSA-N 0 3 351.237 3.470 20 30 FGEDHN N#CC1CCC(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000440989254 501071724 /nfs/dbraw/zinc/07/17/24/501071724.db2.gz NHEXOPRCPZFVGP-AFMYVXGZSA-N 0 3 354.498 3.280 20 30 FGEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2ccco2)cc(OC)c1OC ZINC000446438566 501121204 /nfs/dbraw/zinc/12/12/04/501121204.db2.gz KYSQRFIYTPFEKP-UHFFFAOYSA-N 0 3 372.465 3.229 20 30 FGEDHN C=CCC1(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCCCC1 ZINC000450048209 501164254 /nfs/dbraw/zinc/16/42/54/501164254.db2.gz BAQREWXRCNUQBM-QFIPXVFZSA-N 0 3 356.510 3.266 20 30 FGEDHN CCN(CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 ZINC000442056045 501194004 /nfs/dbraw/zinc/19/40/04/501194004.db2.gz LEYMCPISLYHXBP-UHFFFAOYSA-N 0 3 356.348 3.063 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1(OC)CCC1 ZINC000450742865 501198558 /nfs/dbraw/zinc/19/85/58/501198558.db2.gz DLMFTXKGGSSJEJ-UHFFFAOYSA-N 0 3 350.532 3.154 20 30 FGEDHN CC1CCN(CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442168970 501203651 /nfs/dbraw/zinc/20/36/51/501203651.db2.gz JQYZFTXXPXDQIQ-UHFFFAOYSA-N 0 3 370.375 3.310 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000450287248 501225824 /nfs/dbraw/zinc/22/58/24/501225824.db2.gz PFPFRLFDTDTXLX-SFTDATJTSA-N 0 3 350.462 3.008 20 30 FGEDHN CCO[C@H]1C[C@H](NCC(=O)N(CCC#N)c2ccccc2)C12CCCC2 ZINC000450974087 501236273 /nfs/dbraw/zinc/23/62/73/501236273.db2.gz VGBLAMJTXKESQW-OALUTQOASA-N 0 3 355.482 3.261 20 30 FGEDHN CC[C@H](CO)N(C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000451160232 501249078 /nfs/dbraw/zinc/24/90/78/501249078.db2.gz UEQAGCPQSUILRW-LJQANCHMSA-N 0 3 354.450 3.349 20 30 FGEDHN CO[C@]1(C)C[C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C1(C)C ZINC000451483815 501303229 /nfs/dbraw/zinc/30/32/29/501303229.db2.gz FQFYTXZIVSOFHO-WIYYLYMNSA-N 0 3 357.498 3.343 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)C1(C)C ZINC000451487817 501304276 /nfs/dbraw/zinc/30/42/76/501304276.db2.gz FUUBLBGZVPJJGZ-XOKHGSTOSA-N 0 3 361.511 3.422 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2C[C@](C)(OC)C2(C)C)cc1 ZINC000451488160 501304401 /nfs/dbraw/zinc/30/44/01/501304401.db2.gz MAAQFYBCPXPBPW-RXVVDRJESA-N 0 3 373.497 3.125 20 30 FGEDHN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000451512070 501309833 /nfs/dbraw/zinc/30/98/33/501309833.db2.gz RUFAHCAZWOIAFP-VQTJNVASSA-N 0 3 363.461 3.010 20 30 FGEDHN C=CC(C)(C)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453310538 501312830 /nfs/dbraw/zinc/31/28/30/501312830.db2.gz ROZKLJNJXNWPHH-CYBMUJFWSA-N 0 3 358.301 3.469 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1F ZINC000455532187 501326515 /nfs/dbraw/zinc/32/65/15/501326515.db2.gz DZSODLZZWOSZSM-HXUWFJFHSA-N 0 3 366.440 3.334 20 30 FGEDHN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453424337 501328778 /nfs/dbraw/zinc/32/87/78/501328778.db2.gz IRYHTPAWIPNDBD-IEBWSBKVSA-N 0 3 367.497 3.059 20 30 FGEDHN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000453426956 501329741 /nfs/dbraw/zinc/32/97/41/501329741.db2.gz VBJAWHHKHBXKPA-IBGZPJMESA-N 0 3 373.545 3.408 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453429784 501330154 /nfs/dbraw/zinc/33/01/54/501330154.db2.gz CDNGZRGKNJLQDM-GOSISDBHSA-N 0 3 369.513 3.270 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000451602685 501334823 /nfs/dbraw/zinc/33/48/23/501334823.db2.gz XTLBIXMFUCUWTC-HKBOAZHASA-N 0 3 350.462 3.020 20 30 FGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC000451689188 501351236 /nfs/dbraw/zinc/35/12/36/501351236.db2.gz LGTSHUUXJMDWQC-OCCSQVGLSA-N 0 3 362.271 3.020 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000455770588 501382539 /nfs/dbraw/zinc/38/25/39/501382539.db2.gz XYISTHNDCQTAOW-GUYCJALGSA-N 0 3 369.856 3.391 20 30 FGEDHN C[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)N1CCCC[C@H]1C ZINC000598964914 506250207 /nfs/dbraw/zinc/25/02/07/506250207.db2.gz SNUXIMMBGIMDIN-IAGOWNOFSA-N 0 3 354.498 3.083 20 30 FGEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)CCN(CC(F)(F)F)C1 ZINC000451876826 501390767 /nfs/dbraw/zinc/39/07/67/501390767.db2.gz YYUNMFCCGKHORJ-HNNXBMFYSA-N 0 3 355.404 3.143 20 30 FGEDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000452112723 501437336 /nfs/dbraw/zinc/43/73/36/501437336.db2.gz GWABJMZXIMLRIL-SJORKVTESA-N 0 3 374.554 3.434 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000454254694 501493013 /nfs/dbraw/zinc/49/30/13/501493013.db2.gz ATVSFUXDOMGPRP-ZACQAIPSSA-N 0 3 351.516 3.164 20 30 FGEDHN CC(C)(NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596097910 506257700 /nfs/dbraw/zinc/25/77/00/506257700.db2.gz JSLDFGRZHDFKQV-HXUWFJFHSA-N 0 3 362.477 3.367 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C#N)N(C)C)cc1 ZINC000458756547 501523495 /nfs/dbraw/zinc/52/34/95/501523495.db2.gz JZARKRXBGVYQGK-GOSISDBHSA-N 0 3 360.502 3.268 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456478257 501534043 /nfs/dbraw/zinc/53/40/43/501534043.db2.gz NLZABUXFTQPADN-UYAOXDASSA-N 0 3 352.409 3.498 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459127718 501599263 /nfs/dbraw/zinc/59/92/63/501599263.db2.gz SQCGVBQOTLXTEC-LJQANCHMSA-N 0 3 366.440 3.113 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456795782 501600492 /nfs/dbraw/zinc/60/04/92/501600492.db2.gz UTWOFGPICRKSHZ-UHFFFAOYSA-N 0 3 372.856 3.275 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)CC#N ZINC000459260469 501620835 /nfs/dbraw/zinc/62/08/35/501620835.db2.gz QKTSZVKQAXNNOB-GOSISDBHSA-N 0 3 357.502 3.017 20 30 FGEDHN N#CC1(CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000459515625 501667842 /nfs/dbraw/zinc/66/78/42/501667842.db2.gz UXGIKDBLTUOOMM-UHFFFAOYSA-N 0 3 358.917 3.230 20 30 FGEDHN CNCc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000457363043 501687298 /nfs/dbraw/zinc/68/72/98/501687298.db2.gz KVWDLXWVJWMCAU-UHFFFAOYSA-N 0 3 354.479 3.329 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000457477495 501706462 /nfs/dbraw/zinc/70/64/62/501706462.db2.gz LASKTOQICIHUCL-HXUWFJFHSA-N 0 3 368.456 3.362 20 30 FGEDHN COc1cccc([C@H](CNC(=O)NCC(C)(C)CC#N)N2CCCC2)c1 ZINC000457490169 501709221 /nfs/dbraw/zinc/70/92/21/501709221.db2.gz SXQWPCGAUYZNKP-SFHVURJKSA-N 0 3 358.486 3.071 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000588339610 506272716 /nfs/dbraw/zinc/27/27/16/506272716.db2.gz HUIFBGUMUXNUSC-QRWLVFNGSA-N 0 3 366.440 3.160 20 30 FGEDHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470830217 501820829 /nfs/dbraw/zinc/82/08/29/501820829.db2.gz HFKAUHOPZPJJFK-CJNGLKHVSA-N 0 3 351.381 3.266 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470836937 501824334 /nfs/dbraw/zinc/82/43/34/501824334.db2.gz RLUQDSRXBVYODB-YHYVQYDKSA-N 0 3 372.472 3.192 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(C#N)nc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481655068 501840829 /nfs/dbraw/zinc/84/08/29/501840829.db2.gz WCAXWBJUBMPCNN-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000485515912 501843911 /nfs/dbraw/zinc/84/39/11/501843911.db2.gz ONAIEIMZFDXVPA-GFOJFJKKSA-N 0 3 356.510 3.479 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@H](COC)C1)C(C)C ZINC000467804478 501878693 /nfs/dbraw/zinc/87/86/93/501878693.db2.gz GVITZEOJAMXSDP-OALUTQOASA-N 0 3 351.535 3.143 20 30 FGEDHN CCN(c1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cn1)C(C)C ZINC000478096453 501880662 /nfs/dbraw/zinc/88/06/62/501880662.db2.gz NFHRVMFNJXFOSV-MRXNPFEDSA-N 0 3 366.469 3.124 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000470983843 501882767 /nfs/dbraw/zinc/88/27/67/501882767.db2.gz PYGFPQGQWJJWJM-WMLDXEAASA-N 0 3 367.836 3.478 20 30 FGEDHN CCCCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000470986131 501883843 /nfs/dbraw/zinc/88/38/43/501883843.db2.gz SSZKWWAAVYMADY-CEXWTWQISA-N 0 3 353.466 3.341 20 30 FGEDHN CC(C)c1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000474686612 501920747 /nfs/dbraw/zinc/92/07/47/501920747.db2.gz VXQLXXGROWKMMJ-UHFFFAOYSA-N 0 3 350.466 3.281 20 30 FGEDHN COc1cccc(Cl)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471163284 501942181 /nfs/dbraw/zinc/94/21/81/501942181.db2.gz ZRAVVZAWLSIPDK-OAHLLOKOSA-N 0 3 353.809 3.219 20 30 FGEDHN N#Cc1c[nH]c2ccc(OC(F)F)cc2c1=NCc1cn2ccsc2n1 ZINC000485799474 501942488 /nfs/dbraw/zinc/94/24/88/501942488.db2.gz RCOREQZAVWWNPY-UHFFFAOYSA-N 0 3 371.372 3.451 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460942735 501965549 /nfs/dbraw/zinc/96/55/49/501965549.db2.gz DCTBSDUBCNXSHW-SJORKVTESA-N 0 3 357.502 3.151 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000468236075 501999973 /nfs/dbraw/zinc/99/99/73/501999973.db2.gz WQLFGGHYGIJLDN-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000468292842 502017117 /nfs/dbraw/zinc/01/71/17/502017117.db2.gz VMICXUAXZZEMMD-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c(C#N)c(C)c1C ZINC000478619306 502035955 /nfs/dbraw/zinc/03/59/55/502035955.db2.gz HQXBSAXRIQQGPN-UONOGXRCSA-N 0 3 374.554 3.350 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000471604749 502084663 /nfs/dbraw/zinc/08/46/63/502084663.db2.gz CONMMHNGZWWCHN-HXUWFJFHSA-N 0 3 356.429 3.402 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000471632412 502095042 /nfs/dbraw/zinc/09/50/42/502095042.db2.gz BSBBNZSBCKQJEJ-VXKWHMMOSA-N 0 3 374.488 3.222 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000461449766 502119810 /nfs/dbraw/zinc/11/98/10/502119810.db2.gz YSTUVWBFNNNULO-RTWAWAEBSA-N 0 3 359.473 3.461 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475322852 502134561 /nfs/dbraw/zinc/13/45/61/502134561.db2.gz SZWYBIGWYQPHSA-XLIONFOSSA-N 0 3 363.461 3.058 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475322851 502134713 /nfs/dbraw/zinc/13/47/13/502134713.db2.gz SZWYBIGWYQPHSA-PXNSSMCTSA-N 0 3 363.461 3.058 20 30 FGEDHN NC[C@@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000479159320 502179297 /nfs/dbraw/zinc/17/92/97/502179297.db2.gz NVWIURHTYIPHQD-LLVKDONJSA-N 0 3 372.284 3.211 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC000588672772 506301254 /nfs/dbraw/zinc/30/12/54/506301254.db2.gz YMXROLXZXPRFKP-CKVGWXAMSA-N 0 3 354.498 3.279 20 30 FGEDHN CN(C(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000482855519 502198751 /nfs/dbraw/zinc/19/87/51/502198751.db2.gz FAVWZZYPVNITIE-UHFFFAOYSA-N 0 3 363.461 3.455 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000468987022 502253779 /nfs/dbraw/zinc/25/37/79/502253779.db2.gz MTLKYSUGYWPXFJ-NHCUHLMSSA-N 0 3 369.509 3.138 20 30 FGEDHN C=CCNC(=O)CN[C@H]1C[C@@H](C)CCc2ccc(Br)cc21 ZINC000479421581 502254002 /nfs/dbraw/zinc/25/40/02/502254002.db2.gz NGFBGAOMRZLANS-LRDDRELGSA-N 0 3 351.288 3.354 20 30 FGEDHN CCc1ccc([C@@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000469018921 502266440 /nfs/dbraw/zinc/26/64/40/502266440.db2.gz UPFATEPVQQSSMU-AUUYWEPGSA-N 0 3 370.474 3.018 20 30 FGEDHN CC1CCN(CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000465530643 502291638 /nfs/dbraw/zinc/29/16/38/502291638.db2.gz UTJWSJBUKPAQPP-UXHICEINSA-N 0 3 354.498 3.200 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000483176748 502303676 /nfs/dbraw/zinc/30/36/76/502303676.db2.gz CZULKNPRTYPPMR-UHFFFAOYSA-N 0 3 365.481 3.119 20 30 FGEDHN COc1cccc(CN(Cc2cc(C#N)n(C)c2)C2CCC(O)CC2)c1 ZINC000483273115 502334821 /nfs/dbraw/zinc/33/48/21/502334821.db2.gz XNYXFLBBYIMYMC-UHFFFAOYSA-N 0 3 353.466 3.211 20 30 FGEDHN CCc1c(C)nc2ccccc2c1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472424162 502348380 /nfs/dbraw/zinc/34/83/80/502348380.db2.gz HGFCRCSFZUOTGN-UHFFFAOYSA-N 0 3 374.492 3.346 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000462249347 502367290 /nfs/dbraw/zinc/36/72/90/502367290.db2.gz ZLXZQEQFGPAXNW-INIZCTEOSA-N 0 3 353.441 3.391 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000462272541 502376436 /nfs/dbraw/zinc/37/64/36/502376436.db2.gz PFVREYTUKODKPB-KUHUBIRLSA-N 0 3 352.413 3.339 20 30 FGEDHN Cc1cc(C(=O)N[C@@H](C)CN2CCCCCC2)nn1-c1cccc(C#N)c1 ZINC000479795012 502380195 /nfs/dbraw/zinc/38/01/95/502380195.db2.gz IGTSYHLJJGQGHF-INIZCTEOSA-N 0 3 365.481 3.047 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(N3CCC(OCCN(C)C)CC3)c2c1 ZINC000476193395 502409824 /nfs/dbraw/zinc/40/98/24/502409824.db2.gz OJIWHWUODCSOAX-UHFFFAOYSA-N 0 3 352.482 3.270 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000483559415 502431480 /nfs/dbraw/zinc/43/14/80/502431480.db2.gz HOYJIZUMRYJGPT-WCQYABFASA-N 0 3 371.409 3.072 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469581314 502469776 /nfs/dbraw/zinc/46/97/76/502469776.db2.gz VMOBIBYGVHBEBX-BEFAXECRSA-N 0 3 350.466 3.158 20 30 FGEDHN CSC1(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)CCN(C)CC1 ZINC000462514779 502471749 /nfs/dbraw/zinc/47/17/49/502471749.db2.gz VKZGMSBSBSURQV-UHFFFAOYSA-N 0 3 374.554 3.306 20 30 FGEDHN CS[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H]1N1CCCC1 ZINC000476665554 502555090 /nfs/dbraw/zinc/55/50/90/502555090.db2.gz UEKBXYKFWBFJPL-IPMKNSEASA-N 0 3 357.523 3.112 20 30 FGEDHN CC(C)O[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000462833655 502593244 /nfs/dbraw/zinc/59/32/44/502593244.db2.gz MTWOGGALDVEHGY-CEXWTWQISA-N 0 3 355.482 3.235 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1-n1cccn1 ZINC000469969781 502613563 /nfs/dbraw/zinc/61/35/63/502613563.db2.gz RUPCLOXDYZRTFL-OXJNMPFZSA-N 0 3 371.444 3.200 20 30 FGEDHN C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCCC[C@H]1C ZINC000466596963 502619336 /nfs/dbraw/zinc/61/93/36/502619336.db2.gz MQTNEJUBWRYKOM-CVEARBPZSA-N 0 3 359.474 3.149 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000484652571 502698175 /nfs/dbraw/zinc/69/81/75/502698175.db2.gz PHBGLJJFCIENEO-QKNQBKEWSA-N 0 3 357.498 3.329 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCC2CCCC2)cc1 ZINC000481007130 502726448 /nfs/dbraw/zinc/72/64/48/502726448.db2.gz YJNSVKGTZRZRRZ-CQSZACIVSA-N 0 3 363.483 3.464 20 30 FGEDHN CC(C)[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCN1C ZINC000488577326 502755510 /nfs/dbraw/zinc/75/55/10/502755510.db2.gz XLFRSJOSRMGVII-FQEVSTJZSA-N 0 3 351.498 3.236 20 30 FGEDHN CCCCN(C)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000488834510 502821356 /nfs/dbraw/zinc/82/13/56/502821356.db2.gz DKHSZJSWFDTKJL-UHFFFAOYSA-N 0 3 352.438 3.207 20 30 FGEDHN C=CCn1cccc1C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000488902310 502834622 /nfs/dbraw/zinc/83/46/22/502834622.db2.gz VTHKVCQYIPXMNO-MRXNPFEDSA-N 0 3 358.511 3.033 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488923446 502839641 /nfs/dbraw/zinc/83/96/41/502839641.db2.gz YQSYVQUGUPDEGL-JENIJYKNSA-N 0 3 357.498 3.123 20 30 FGEDHN C=CCOc1cccc(CN[C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)c1 ZINC000513074843 502845861 /nfs/dbraw/zinc/84/58/61/502845861.db2.gz JDRAIEYJZAZLOY-KGLIPLIRSA-N 0 3 374.510 3.418 20 30 FGEDHN C[C@@H](C#N)CN(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509237087 502856765 /nfs/dbraw/zinc/85/67/65/502856765.db2.gz YCEPPTXMTANUKM-WMLDXEAASA-N 0 3 353.388 3.059 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Br)o1)C(C)C ZINC000496013010 502869724 /nfs/dbraw/zinc/86/97/24/502869724.db2.gz GJMQORCFEBYGRH-ZDUSSCGKSA-N 0 3 355.276 3.471 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000505327054 502888934 /nfs/dbraw/zinc/88/89/34/502888934.db2.gz QTZGVAQEQBNOCS-UHFFFAOYSA-N 0 3 365.452 3.063 20 30 FGEDHN C[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)N(C)Cc1ccccc1 ZINC000496612265 502896347 /nfs/dbraw/zinc/89/63/47/502896347.db2.gz OJFZFRQAQCTUCT-KRWDZBQOSA-N 0 3 362.477 3.367 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CC(OCC)C1 ZINC000505455080 502907436 /nfs/dbraw/zinc/90/74/36/502907436.db2.gz GEUIAOIZCQMINW-UHFFFAOYSA-N 0 3 364.559 3.400 20 30 FGEDHN C=C[C@H]1CCCCN1CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000489489533 502971502 /nfs/dbraw/zinc/97/15/02/502971502.db2.gz ZVJVKPJKLYJNQA-NRFANRHFSA-N 0 3 355.526 3.116 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000505833685 502995741 /nfs/dbraw/zinc/99/57/41/502995741.db2.gz UTGZRWYIPXROLN-IAGOWNOFSA-N 0 3 357.498 3.123 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](COc2ccccc2)C1 ZINC000505885987 503005957 /nfs/dbraw/zinc/00/59/57/503005957.db2.gz XWBIWAPNDMULKY-HNNXBMFYSA-N 0 3 355.463 3.349 20 30 FGEDHN Cc1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cn12 ZINC000509898760 503007639 /nfs/dbraw/zinc/00/76/39/503007639.db2.gz JAPISZMTYIQRDE-LBPRGKRZSA-N 0 3 366.331 3.273 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccccc1 ZINC000505954176 503019918 /nfs/dbraw/zinc/01/99/18/503019918.db2.gz MODAHAGAGIWZMC-FQEVSTJZSA-N 0 3 353.441 3.439 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)COc1ccc(C#N)cc1)N(C)C ZINC000510509879 503128498 /nfs/dbraw/zinc/12/84/98/503128498.db2.gz FVQXFJWDZUCVBF-IIBYNOLFSA-N 0 3 351.450 3.053 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)COc1ccc(C#N)cc1)N(C)C ZINC000510509880 503128956 /nfs/dbraw/zinc/12/89/56/503128956.db2.gz FVQXFJWDZUCVBF-KKSFZXQISA-N 0 3 351.450 3.053 20 30 FGEDHN Cc1nc(SCC(=O)N(CCN(C)C)C2CCCC2)c(C#N)c(C)c1C ZINC000498470076 503189711 /nfs/dbraw/zinc/18/97/11/503189711.db2.gz XZLFDEISQAUQJE-UHFFFAOYSA-N 0 3 374.554 3.303 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@@H](C)N2CCCCCC2)cc(OC)c1OC ZINC000510809097 503197414 /nfs/dbraw/zinc/19/74/14/503197414.db2.gz DGASBYGXESOMAO-MRXNPFEDSA-N 0 3 360.498 3.313 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000511193427 503277450 /nfs/dbraw/zinc/27/74/50/503277450.db2.gz NFIVQYDWUJFLNK-GOSISDBHSA-N 0 3 356.514 3.458 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055219 506361720 /nfs/dbraw/zinc/36/17/20/506361720.db2.gz RPZRHCCNPWFMKX-UHFFFAOYSA-N 0 3 361.364 3.315 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000499314957 503378207 /nfs/dbraw/zinc/37/82/07/503378207.db2.gz WBZIPCGEZCEXAF-SJLPKXTDSA-N 0 3 359.518 3.177 20 30 FGEDHN CCN(CC)C(=O)c1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511744643 503380191 /nfs/dbraw/zinc/38/01/91/503380191.db2.gz WXNNIYGGVWTGBG-QGZVFWFLSA-N 0 3 350.422 3.066 20 30 FGEDHN Cc1oc(NC(=O)CN[C@@H]2CCC[C@@H]2OCc2ccccc2)c(C#N)c1C ZINC000503517621 503425980 /nfs/dbraw/zinc/42/59/80/503425980.db2.gz RYDIPFHWSXCPTM-MOPGFXCFSA-N 0 3 367.449 3.434 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000508088919 503428409 /nfs/dbraw/zinc/42/84/09/503428409.db2.gz QDZOHVLFNIGJMM-QGZVFWFLSA-N 0 3 352.434 3.155 20 30 FGEDHN C=CCN1CC[C@H](N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1=O ZINC000499605350 503440977 /nfs/dbraw/zinc/44/09/77/503440977.db2.gz YVISHBXNYQUHAH-LEWJYISDSA-N 0 3 368.452 3.495 20 30 FGEDHN COc1ccccc1/C=C\CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503919294 503489990 /nfs/dbraw/zinc/48/99/90/503489990.db2.gz GAKNVOGFWYULSA-FDIFFNORSA-N 0 3 361.445 3.365 20 30 FGEDHN COCCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000593071526 506374896 /nfs/dbraw/zinc/37/48/96/506374896.db2.gz ZGWIBGFKLZCUNI-HZPDHXFCSA-N 0 3 370.371 3.285 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(-n2cccn2)c1)C(C)C ZINC000516507785 503523442 /nfs/dbraw/zinc/52/34/42/503523442.db2.gz GQQYBMBQAILJPO-FQEVSTJZSA-N 0 3 352.482 3.301 20 30 FGEDHN C[C@H]1CN(CCC2CCN(Cc3cccc(C#N)c3F)CC2)C[C@H](C)O1 ZINC000512426089 503546620 /nfs/dbraw/zinc/54/66/20/503546620.db2.gz DVHYFKDDMJGUJT-IRXDYDNUSA-N 0 3 359.489 3.409 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN(CCO)[C@@H]1CCc2ccccc21 ZINC000494545787 503561979 /nfs/dbraw/zinc/56/19/79/503561979.db2.gz XMHNYBDAYZKRQZ-RBBKRZOGSA-N 0 3 367.489 3.137 20 30 FGEDHN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(CC2CC2)CC1 ZINC000508886714 503588937 /nfs/dbraw/zinc/58/89/37/503588937.db2.gz DJXTZSIJJBVJNC-UHFFFAOYSA-N 0 3 355.461 3.111 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508907196 503597000 /nfs/dbraw/zinc/59/70/00/503597000.db2.gz LBKUJMYHMHYAAQ-SFHVURJKSA-N 0 3 373.932 3.485 20 30 FGEDHN C=CCn1c(-c2cccn2C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000508940418 503604347 /nfs/dbraw/zinc/60/43/47/503604347.db2.gz YANAUUCFFHGONX-UHFFFAOYSA-N 0 3 368.529 3.170 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000495005207 503648204 /nfs/dbraw/zinc/64/82/04/503648204.db2.gz NUFSIKQJILLHBT-IBGZPJMESA-N 0 3 357.498 3.411 20 30 FGEDHN C=CCOc1ccccc1CN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000536638762 503655136 /nfs/dbraw/zinc/65/51/36/503655136.db2.gz RIXIMJVIKANOMQ-UHFFFAOYSA-N 0 3 356.388 3.142 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000512929426 503658658 /nfs/dbraw/zinc/65/86/58/503658658.db2.gz AQUMPHZTBXUXCP-GOSISDBHSA-N 0 3 351.425 3.021 20 30 FGEDHN N#CCn1c(C(=O)NC[C@H]2CCN2C2CCCCC2)cc2ccccc21 ZINC000529718085 503676359 /nfs/dbraw/zinc/67/63/59/503676359.db2.gz JCXHDPNEJFHBDW-GOSISDBHSA-N 0 3 350.466 3.302 20 30 FGEDHN CC[C@]1(O)CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495206913 503699823 /nfs/dbraw/zinc/69/98/23/503699823.db2.gz AKXWSBRIUHFMIZ-IBGZPJMESA-N 0 3 361.511 3.064 20 30 FGEDHN N#CCC[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000533048155 503712456 /nfs/dbraw/zinc/71/24/56/503712456.db2.gz LKISCXOSKOPXEK-SFTDATJTSA-N 0 3 362.477 3.455 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCOc2c(C)cccc2C)CC1 ZINC000517318836 503713935 /nfs/dbraw/zinc/71/39/35/503713935.db2.gz PHHAVZDLRCCBSD-UHFFFAOYSA-N 0 3 359.514 3.412 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc3ccccc3n2)CC1 ZINC000517324600 503715871 /nfs/dbraw/zinc/71/58/71/503715871.db2.gz XUJOLQYHSWFCPN-UHFFFAOYSA-N 0 3 352.482 3.117 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000533303653 503799833 /nfs/dbraw/zinc/79/98/33/503799833.db2.gz LKQSZPZQNQCSJE-WBVHZDCISA-N 0 3 372.538 3.045 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000543541475 503806713 /nfs/dbraw/zinc/80/67/13/503806713.db2.gz PNOLRYUWAWPHFQ-HOIFWPIMSA-N 0 3 363.461 3.476 20 30 FGEDHN C[C@](O)(C1CCN(CCCOc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000546637968 503817803 /nfs/dbraw/zinc/81/78/03/503817803.db2.gz UOCZBLZYDWJVTJ-KRWDZBQOSA-N 0 3 356.388 3.352 20 30 FGEDHN C[C@H](c1ccc(-c2ccc(F)cc2C#N)cc1)N1CCN(CCO)CC1 ZINC000527588475 503844675 /nfs/dbraw/zinc/84/46/75/503844675.db2.gz JQORBKPQAZDFGZ-MRXNPFEDSA-N 0 3 353.441 3.035 20 30 FGEDHN C[C@@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000540701235 503860084 /nfs/dbraw/zinc/86/00/84/503860084.db2.gz CNBDOJQNBDRATH-DNVCBOLYSA-N 0 3 372.513 3.398 20 30 FGEDHN C[C@@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707381 503863275 /nfs/dbraw/zinc/86/32/75/503863275.db2.gz YCMWHLNYWCGFNS-VGOFRKELSA-N 0 3 366.484 3.337 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2OCc2csc(C)n2)CC1 ZINC000517999016 503884474 /nfs/dbraw/zinc/88/44/74/503884474.db2.gz WPLFMKZUJMPOEK-UHFFFAOYSA-N 0 3 371.506 3.411 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000518640081 504035305 /nfs/dbraw/zinc/03/53/05/504035305.db2.gz MVQDRVUQOMNXCY-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN COc1ccc(C[C@H](C)CN(C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000534172947 504061343 /nfs/dbraw/zinc/06/13/43/504061343.db2.gz JGIWSKBMJNOKSP-INIZCTEOSA-N 0 3 351.450 3.316 20 30 FGEDHN COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000544411184 504122708 /nfs/dbraw/zinc/12/27/08/504122708.db2.gz STJCDFMELYPSJN-SFHVURJKSA-N 0 3 360.502 3.291 20 30 FGEDHN C[C@@H]1CCN(c2cc(C(=O)C(C#N)c3nc4ccccc4n3C)ccn2)C1 ZINC000547484450 504123221 /nfs/dbraw/zinc/12/32/21/504123221.db2.gz UTUASGXFKFIUGK-GDBMZVCRSA-N 0 3 359.433 3.305 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000538068518 504127225 /nfs/dbraw/zinc/12/72/25/504127225.db2.gz VIQRJKWEKAJXRL-LJQANCHMSA-N 0 3 360.461 3.261 20 30 FGEDHN C=C(C)CN1CCC(NCc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000534464950 504149150 /nfs/dbraw/zinc/14/91/50/504149150.db2.gz HDRMTMLDFYXHGQ-UHFFFAOYSA-N 0 3 363.868 3.190 20 30 FGEDHN CC(C)CSCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000534489857 504155358 /nfs/dbraw/zinc/15/53/58/504155358.db2.gz WTFSXUSGSJUVFE-UHFFFAOYSA-N 0 3 362.543 3.021 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CCOCC2)[C@@H]1C ZINC000544546634 504169335 /nfs/dbraw/zinc/16/93/35/504169335.db2.gz BQFGSTKCIXTLMV-IOBOIYPZSA-N 0 3 361.530 3.197 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000538270280 504182903 /nfs/dbraw/zinc/18/29/03/504182903.db2.gz PJMJTSVZQFWOCT-FUHWJXTLSA-N 0 3 351.450 3.039 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@H](Cc1ccccc1)c1cccs1 ZINC000541594493 504192391 /nfs/dbraw/zinc/19/23/91/504192391.db2.gz DLBOMGOOTJSGQE-GOSISDBHSA-N 0 3 366.490 3.277 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000528412713 504213416 /nfs/dbraw/zinc/21/34/16/504213416.db2.gz BVOHBIXRRIYYOB-FQEVSTJZSA-N 0 3 369.440 3.014 20 30 FGEDHN CC[C@@H]1CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1O ZINC000534864000 504264443 /nfs/dbraw/zinc/26/44/43/504264443.db2.gz QGRPLEPHXTVGTL-WOJBJXKFSA-N 0 3 366.461 3.349 20 30 FGEDHN N#Cc1ccc(C2(NCc3cccc4nsnc43)CCOCC2)cc1 ZINC000528779773 504377025 /nfs/dbraw/zinc/37/70/25/504377025.db2.gz XOLZSAPCGBXTFH-UHFFFAOYSA-N 0 3 350.447 3.358 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000545294917 504433002 /nfs/dbraw/zinc/43/30/02/504433002.db2.gz PWILBLUJOFVMNX-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000545295760 504433457 /nfs/dbraw/zinc/43/34/57/504433457.db2.gz YENQMXBPQJSJCT-SFHVURJKSA-N 0 3 364.449 3.353 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528922437 504450926 /nfs/dbraw/zinc/45/09/26/504450926.db2.gz YSODIBONKAAZOW-KBPBESRZSA-N 0 3 358.438 3.326 20 30 FGEDHN CC1(C)C[C@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C(C)(C)O1 ZINC000528997009 504488815 /nfs/dbraw/zinc/48/88/15/504488815.db2.gz VMLARKQFDFJJSP-LSDHHAIUSA-N 0 3 362.857 3.259 20 30 FGEDHN CN1C(=O)COc2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc21 ZINC000529011701 504494571 /nfs/dbraw/zinc/49/45/71/504494571.db2.gz YGBOZHOWRXXQPV-GFCCVEGCSA-N 0 3 369.446 3.286 20 30 FGEDHN CN1C(=O)COc2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc21 ZINC000529011701 504494574 /nfs/dbraw/zinc/49/45/74/504494574.db2.gz YGBOZHOWRXXQPV-GFCCVEGCSA-N 0 3 369.446 3.286 20 30 FGEDHN COC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)N2CCCC2)c(C#N)n1 ZINC000520427847 504496827 /nfs/dbraw/zinc/49/68/27/504496827.db2.gz CDTJHXLOIFGBSL-HXUWFJFHSA-N 0 3 364.449 3.297 20 30 FGEDHN N#Cc1ccc(CNCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000532209219 504573361 /nfs/dbraw/zinc/57/33/61/504573361.db2.gz HIOJRBNVYBMHQC-UHFFFAOYSA-N 0 3 354.885 3.123 20 30 FGEDHN C=CCc1ccc(OCC(=O)NCCN2[C@H](C)CCC[C@H]2C)c(OC)c1 ZINC000520760045 504576515 /nfs/dbraw/zinc/57/65/15/504576515.db2.gz JTTAMYCXOYTKFZ-IAGOWNOFSA-N 0 3 360.498 3.182 20 30 FGEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1OC(F)F ZINC000539483900 504585316 /nfs/dbraw/zinc/58/53/16/504585316.db2.gz WZMQVKVUQWSEFJ-KSSFIOAISA-N 0 3 352.381 3.371 20 30 FGEDHN N#CC1(c2ccccc2)CCC(NCc2nnnn2-c2ccccc2)CC1 ZINC000539510840 504594331 /nfs/dbraw/zinc/59/43/31/504594331.db2.gz PMTXWKJOSRIJBX-UHFFFAOYSA-N 0 3 358.449 3.156 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)s1 ZINC000539512512 504595422 /nfs/dbraw/zinc/59/54/22/504595422.db2.gz OYUQZJBZFXIOGG-CYBMUJFWSA-N 0 3 370.396 3.459 20 30 FGEDHN CCC(C#N)(CC)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000529452867 504681219 /nfs/dbraw/zinc/68/12/19/504681219.db2.gz OCWFLWAKBDIGPR-UHFFFAOYSA-N 0 3 370.497 3.056 20 30 FGEDHN C[C@@H]1[C@@H](C)CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000532571851 504695839 /nfs/dbraw/zinc/69/58/39/504695839.db2.gz HTKPZXLRVFLDGP-LSDHHAIUSA-N 0 3 352.400 3.294 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccncn1 ZINC000546154252 504728621 /nfs/dbraw/zinc/72/86/21/504728621.db2.gz YGHBHRJGAHKYSX-CYBMUJFWSA-N 0 3 357.295 3.171 20 30 FGEDHN C=CCOCCN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000559149966 504792735 /nfs/dbraw/zinc/79/27/35/504792735.db2.gz PKTZRSDRCYTWFW-QGZVFWFLSA-N 0 3 354.454 3.044 20 30 FGEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cccc(C#N)c1Br ZINC000562702392 504913991 /nfs/dbraw/zinc/91/39/91/504913991.db2.gz UXRYBEULGDRYSJ-CQSZACIVSA-N 0 3 364.287 3.267 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000565536235 504915967 /nfs/dbraw/zinc/91/59/67/504915967.db2.gz ZELXCLXXNPVJIC-RTWAWAEBSA-N 0 3 373.447 3.045 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000559793507 504929008 /nfs/dbraw/zinc/92/90/08/504929008.db2.gz BJNFUYGCWLECEN-WMZOPIPTSA-N 0 3 358.482 3.334 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(Cl)cc2Cl)s1 ZINC000565594283 504933191 /nfs/dbraw/zinc/93/31/91/504933191.db2.gz MBPRKDYOWRIFCT-NSHDSACASA-N 0 3 357.262 3.456 20 30 FGEDHN N#Cc1cnn2cc(CNCCCc3cccc(C(F)(F)F)c3)cnc12 ZINC000559868521 504941044 /nfs/dbraw/zinc/94/10/44/504941044.db2.gz GDDFYRKGSBKETM-UHFFFAOYSA-N 0 3 359.355 3.342 20 30 FGEDHN C=CCC(C)(C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000559981164 504962552 /nfs/dbraw/zinc/96/25/52/504962552.db2.gz GGIPBFCAKBRHOT-SFHVURJKSA-N 0 3 357.498 3.394 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000565757303 504978995 /nfs/dbraw/zinc/97/89/95/504978995.db2.gz JDFXJYNPYPKFEG-UHFFFAOYSA-N 0 3 352.438 3.467 20 30 FGEDHN CC1(C)CN(c2nccc(C#N)n2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000560243878 505027667 /nfs/dbraw/zinc/02/76/67/505027667.db2.gz QTTLAYAJFACUJC-FQEVSTJZSA-N 0 3 361.493 3.475 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(CC#N)cc2)N(C)C)cc1 ZINC000563035798 505028800 /nfs/dbraw/zinc/02/88/00/505028800.db2.gz WDEVGSTVUUIVAO-NRFANRHFSA-N 0 3 364.493 3.417 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000560251513 505029225 /nfs/dbraw/zinc/02/92/25/505029225.db2.gz PLXQDTPWYMMBOM-LJQANCHMSA-N 0 3 369.490 3.078 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(CC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000563049702 505034155 /nfs/dbraw/zinc/03/41/55/505034155.db2.gz ZJXJPSQQOMMLSZ-UZLBHIALSA-N 0 3 350.466 3.243 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN(CCN1CCCCCC1)C1CCC1 ZINC000553945111 505049381 /nfs/dbraw/zinc/04/93/81/505049381.db2.gz JZCSNESHUOTUKW-UHFFFAOYSA-N 0 3 360.527 3.289 20 30 FGEDHN CC(C)COc1ccccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000560360313 505058893 /nfs/dbraw/zinc/05/88/93/505058893.db2.gz WUSIPSVUVAZYRR-IBGZPJMESA-N 0 3 354.450 3.123 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000566033218 505060139 /nfs/dbraw/zinc/06/01/39/505060139.db2.gz MAQSNQNZXYFDDZ-CRAIPNDOSA-N 0 3 364.449 3.351 20 30 FGEDHN CN1CC[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000550714439 505088503 /nfs/dbraw/zinc/08/85/03/505088503.db2.gz UYFYMXBZFAKESD-FKBYEOEOSA-N 0 3 374.488 3.089 20 30 FGEDHN CN(CCCN(C)Cc1ccco1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000560540321 505119931 /nfs/dbraw/zinc/11/99/31/505119931.db2.gz QCALXZNUHZTEBV-UHFFFAOYSA-N 0 3 374.872 3.197 20 30 FGEDHN CSC1c2cc(-c3noc(-c4ncc(C#N)cc4C)n3)ccc2NC1=O ZINC000551353952 505207574 /nfs/dbraw/zinc/20/75/74/505207574.db2.gz NQNSFJZUARHWIH-HNNXBMFYSA-N 0 3 363.402 3.335 20 30 FGEDHN COc1ccc([C@@H](NC[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000557724905 505214654 /nfs/dbraw/zinc/21/46/54/505214654.db2.gz AAWKEXNPBKWRIA-KNQAVFIVSA-N 0 3 366.461 3.242 20 30 FGEDHN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000554632135 505228342 /nfs/dbraw/zinc/22/83/42/505228342.db2.gz AACWDZOEMXEFCC-UHFFFAOYSA-N 0 3 362.481 3.067 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1OC ZINC000557837327 505242425 /nfs/dbraw/zinc/24/24/25/505242425.db2.gz KWVVVEIQJRWYAR-INIZCTEOSA-N 0 3 358.482 3.206 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CC(=O)N(c3c(F)cccc3F)C1)CC2 ZINC000566766784 505266957 /nfs/dbraw/zinc/26/69/57/505266957.db2.gz FXKAVFMIGRTVMD-KDOFPFPSSA-N 0 3 353.372 3.219 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000561259169 505296304 /nfs/dbraw/zinc/29/63/04/505296304.db2.gz LWRAPVGTIJJJMG-RDJZCZTQSA-N 0 3 354.372 3.065 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000554928936 505301247 /nfs/dbraw/zinc/30/12/47/505301247.db2.gz VAFZITACLBIYLA-HZPDHXFCSA-N 0 3 355.486 3.059 20 30 FGEDHN COc1cccc(C(F)(F)CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000561336698 505318422 /nfs/dbraw/zinc/31/84/22/505318422.db2.gz NFPNXWAJDDYWGO-HNNXBMFYSA-N 0 3 359.376 3.071 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000551854463 505326527 /nfs/dbraw/zinc/32/65/27/505326527.db2.gz NKJNFBZUEAJENE-QGZVFWFLSA-N 0 3 364.367 3.301 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000564113869 505329316 /nfs/dbraw/zinc/32/93/16/505329316.db2.gz WMHZHALPEQSOAF-GCJKJVERSA-N 0 3 371.525 3.018 20 30 FGEDHN CN(CCCOc1ccc2c(c1)OCO2)CCOCc1ccc(C#N)cc1 ZINC000564152259 505339235 /nfs/dbraw/zinc/33/92/35/505339235.db2.gz NQSFRIDPWXENGH-UHFFFAOYSA-N 0 3 368.433 3.204 20 30 FGEDHN CC(C)Oc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000552225586 505433291 /nfs/dbraw/zinc/43/32/91/505433291.db2.gz JIQMTEVNMSPNDL-UHFFFAOYSA-N 0 3 350.466 3.499 20 30 FGEDHN CC(C)c1ccc(CCNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000558718287 505472855 /nfs/dbraw/zinc/47/28/55/505472855.db2.gz MUGGPOUEMODZMF-UHFFFAOYSA-N 0 3 356.491 3.288 20 30 FGEDHN N#Cc1ccc(NC(=O)CN(CCN2CCCCCC2)C2CCC2)cc1 ZINC000561949018 505475148 /nfs/dbraw/zinc/47/51/48/505475148.db2.gz NJTUHTRFLLBNHQ-UHFFFAOYSA-N 0 3 354.498 3.227 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567523864 505488095 /nfs/dbraw/zinc/48/80/95/505488095.db2.gz SGFYGICKRICJOV-PKOBYXMFSA-N 0 3 367.896 3.239 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000567622845 505517305 /nfs/dbraw/zinc/51/73/05/505517305.db2.gz ZTBDLDIHPYJGOH-KXBFYZLASA-N 0 3 351.450 3.265 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000562153354 505528865 /nfs/dbraw/zinc/52/88/65/505528865.db2.gz KWPWXRGFSONAEX-DOTOQJQBSA-N 0 3 356.470 3.436 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)Cc1noc(C)c1C#N)c1ccc(Cl)cc1 ZINC000552682480 505534348 /nfs/dbraw/zinc/53/43/48/505534348.db2.gz MSSDVKUWSCQNFY-GOSISDBHSA-N 0 3 374.872 3.250 20 30 FGEDHN CO[C@@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000567683124 505535191 /nfs/dbraw/zinc/53/51/91/505535191.db2.gz HXQOETWXKRWBQL-QUCCMNQESA-N 0 3 374.868 3.123 20 30 FGEDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599250833 506386734 /nfs/dbraw/zinc/38/67/34/506386734.db2.gz BEKOAXXREPNKRN-KRWDZBQOSA-N 0 3 364.367 3.449 20 30 FGEDHN CCc1nnc(NCC2CCN(Cc3ccncc3)CC2)c(C#N)c1CC ZINC000596439812 506406078 /nfs/dbraw/zinc/40/60/78/506406078.db2.gz GLBOXOPPMPDLOQ-UHFFFAOYSA-N 0 3 364.497 3.192 20 30 FGEDHN N#CC1(C[C@H](O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCOCC1 ZINC000599402089 506442952 /nfs/dbraw/zinc/44/29/52/506442952.db2.gz IQDGKLXOZMWMAW-GJZGRUSLSA-N 0 3 360.420 3.112 20 30 FGEDHN Cc1ccc(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1C#N ZINC000599412700 506446444 /nfs/dbraw/zinc/44/64/44/506446444.db2.gz NQKLPMIGEXXPMQ-HNNXBMFYSA-N 0 3 353.388 3.147 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCCC[C@H]2Cc2ccccc2F)CCOCC1 ZINC000599450565 506460892 /nfs/dbraw/zinc/46/08/92/506460892.db2.gz KEEFFLJIMSWYAB-OALUTQOASA-N 0 3 360.473 3.294 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCCC[C@@H]2Cc2ccccc2F)CCOCC1 ZINC000599450564 506460931 /nfs/dbraw/zinc/46/09/31/506460931.db2.gz KEEFFLJIMSWYAB-MOPGFXCFSA-N 0 3 360.473 3.294 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000582901353 506479991 /nfs/dbraw/zinc/47/99/91/506479991.db2.gz BOCZSCPDRVQQIH-OAQYLSRUSA-N 0 3 362.477 3.074 20 30 FGEDHN C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000596597271 506480796 /nfs/dbraw/zinc/48/07/96/506480796.db2.gz NJBZVAODJKVTMB-UZLBHIALSA-N 0 3 350.466 3.091 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591551 506516882 /nfs/dbraw/zinc/51/68/82/506516882.db2.gz VOTMTFZDKOSOGH-MAUKXSAKSA-N 0 3 371.481 3.187 20 30 FGEDHN COc1ccc(C(C)(C)NC[C@H](O)COc2ccc(CC#N)cc2)cc1F ZINC000599597502 506520728 /nfs/dbraw/zinc/52/07/28/506520728.db2.gz FPNZPGCBCYFGGK-KRWDZBQOSA-N 0 3 372.440 3.165 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)Cc2noc(C)c2C#N)N(CC)CC)cc1 ZINC000582982171 506522531 /nfs/dbraw/zinc/52/25/31/506522531.db2.gz GVHWBCMGHBKSFZ-FQEVSTJZSA-N 0 3 368.481 3.159 20 30 FGEDHN CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CCN(C)C1 ZINC000596678217 506527561 /nfs/dbraw/zinc/52/75/61/506527561.db2.gz MQEXLVSMUAPVEP-KRWDZBQOSA-N 0 3 365.437 3.303 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C2 ZINC000593350347 506562762 /nfs/dbraw/zinc/56/27/62/506562762.db2.gz TXSSRAFLWOUSSX-FQEVSTJZSA-N 0 3 360.461 3.248 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000596817073 506616399 /nfs/dbraw/zinc/61/63/99/506616399.db2.gz WBZOTOYLKCNDHG-AABGKKOBSA-N 0 3 354.498 3.068 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CC=CCC2)CC1 ZINC000593452715 506626826 /nfs/dbraw/zinc/62/68/26/506626826.db2.gz DMDNPSCCARZVKI-OAQYLSRUSA-N 0 3 362.514 3.211 20 30 FGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000596843101 506631878 /nfs/dbraw/zinc/63/18/78/506631878.db2.gz FTVVADQNLLKNNU-KRWDZBQOSA-N 0 3 354.498 3.357 20 30 FGEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593525575 506670772 /nfs/dbraw/zinc/67/07/72/506670772.db2.gz ICLKLWSCIMCJCW-MRXNPFEDSA-N 0 3 363.527 3.031 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC000596973911 506705932 /nfs/dbraw/zinc/70/59/32/506705932.db2.gz MQNASOSHWNJWPI-NRFANRHFSA-N 0 3 365.452 3.318 20 30 FGEDHN COc1cc(OC)c(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000593628346 506707980 /nfs/dbraw/zinc/70/79/80/506707980.db2.gz YMHUEMWQKNFYFX-UHFFFAOYSA-N 0 3 371.456 3.278 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000604124454 506722992 /nfs/dbraw/zinc/72/29/92/506722992.db2.gz FUAAZXCTLWZVBR-ZDUSSCGKSA-N 0 3 366.303 3.282 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(c2ccccc2)CCCCCC1 ZINC000608981769 506758914 /nfs/dbraw/zinc/75/89/14/506758914.db2.gz WWFUVZLTWUQKLV-KRWDZBQOSA-N 0 3 357.498 3.269 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)CCN2CCCCC2)c1C#N ZINC000593882809 506819110 /nfs/dbraw/zinc/81/91/10/506819110.db2.gz JHFCUOXJORLSIA-UHFFFAOYSA-N 0 3 358.511 3.110 20 30 FGEDHN CCOc1ccc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604468273 506839609 /nfs/dbraw/zinc/83/96/09/506839609.db2.gz AZBWDKPXHVAFON-IBGZPJMESA-N 0 3 354.450 3.023 20 30 FGEDHN N#CCCC1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000583562283 506850053 /nfs/dbraw/zinc/85/00/53/506850053.db2.gz LFPWXBUDLZMONO-INIZCTEOSA-N 0 3 356.388 3.461 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@H](c3ccccc3F)C2)cc1 ZINC000609338453 506858507 /nfs/dbraw/zinc/85/85/07/506858507.db2.gz IIDLSVNMZQQSKE-ZWKOTPCHSA-N 0 3 354.425 3.121 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000593989436 506868791 /nfs/dbraw/zinc/86/87/91/506868791.db2.gz QIKUTHYZCIGONH-INIZCTEOSA-N 0 3 355.507 3.389 20 30 FGEDHN C[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Sc1ccccc1 ZINC000583626183 506884370 /nfs/dbraw/zinc/88/43/70/506884370.db2.gz IAEZMZCRSDZKFY-HNNXBMFYSA-N 0 3 360.504 3.102 20 30 FGEDHN COC(=O)c1ccccc1OCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033724 506897916 /nfs/dbraw/zinc/89/79/16/506897916.db2.gz ZUPUMSDNQUYMAC-UHFFFAOYSA-N 0 3 350.418 3.393 20 30 FGEDHN COc1ccc(COC[C@@H](O)CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594033158 506898081 /nfs/dbraw/zinc/89/80/81/506898081.db2.gz XGCOLINHQVZKFS-FQEVSTJZSA-N 0 3 366.461 3.113 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594066223 506917072 /nfs/dbraw/zinc/91/70/72/506917072.db2.gz JLCXXNYMQUHRQU-UKRRQHHQSA-N 0 3 364.396 3.298 20 30 FGEDHN COc1cc(CN(C[C@H](C)O)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000594067204 506918476 /nfs/dbraw/zinc/91/84/76/506918476.db2.gz ZSZMNKDFSGJKMF-INIZCTEOSA-N 0 3 366.461 3.491 20 30 FGEDHN C[C@@H](NC1(CNC(=O)C2(C#N)CCCCC2)CCOCC1)c1ccccc1 ZINC000609595454 506938485 /nfs/dbraw/zinc/93/84/85/506938485.db2.gz VHHFCDDCSPRVEO-GOSISDBHSA-N 0 3 369.509 3.477 20 30 FGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)CC#N ZINC000597416565 506940933 /nfs/dbraw/zinc/94/09/33/506940933.db2.gz SLNQYWIJUSHRLX-QAPCUYQASA-N 0 3 351.454 3.127 20 30 FGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)CC#N ZINC000597416564 506941733 /nfs/dbraw/zinc/94/17/33/506941733.db2.gz SLNQYWIJUSHRLX-MAUKXSAKSA-N 0 3 351.454 3.127 20 30 FGEDHN Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c(C#N)cc1N(C)C ZINC000594113834 506948698 /nfs/dbraw/zinc/94/86/98/506948698.db2.gz STIPYVYUHXQBRV-SJLPKXTDSA-N 0 3 355.486 3.071 20 30 FGEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000609632782 506955460 /nfs/dbraw/zinc/95/54/60/506955460.db2.gz NXNSECDGBMIZEP-INIZCTEOSA-N 0 3 371.506 3.274 20 30 FGEDHN CN1CCC[C@@H](N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)C1 ZINC000609672917 506969632 /nfs/dbraw/zinc/96/96/32/506969632.db2.gz XVHJKNRYKZYLNB-HSZRJFAPSA-N 0 3 374.532 3.437 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230351 507025641 /nfs/dbraw/zinc/02/56/41/507025641.db2.gz HVQKJFBXXKOBHS-HTAPYJJXSA-N 0 3 374.488 3.494 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC000597697951 507064819 /nfs/dbraw/zinc/06/48/19/507064819.db2.gz OSJMRDMIAVWOFV-IAGOWNOFSA-N 0 3 367.415 3.149 20 30 FGEDHN CC(C)N1C[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000610010002 507070674 /nfs/dbraw/zinc/07/06/74/507070674.db2.gz ORFVPMNOXWUIPS-FQEVSTJZSA-N 0 3 363.461 3.236 20 30 FGEDHN C[C@@](CO)(NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000591014013 507079294 /nfs/dbraw/zinc/07/92/94/507079294.db2.gz OHUMOTKVSGJSHP-IBGZPJMESA-N 0 3 357.841 3.038 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000600717587 507080786 /nfs/dbraw/zinc/08/07/86/507080786.db2.gz BSPGKWZKFWKOQO-LJQANCHMSA-N 0 3 367.424 3.222 20 30 FGEDHN CC[C@@H](C)Oc1cc(C)ccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600729447 507086824 /nfs/dbraw/zinc/08/68/24/507086824.db2.gz HAZBHRFUYLFNOV-MJGOQNOKSA-N 0 3 360.498 3.333 20 30 FGEDHN CC(C)Cc1ccccc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000600742537 507095514 /nfs/dbraw/zinc/09/55/14/507095514.db2.gz DKDPNCGHXJYSFZ-OAQYLSRUSA-N 0 3 352.478 3.481 20 30 FGEDHN COC(=O)[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)Cc2ccccc21 ZINC000600763801 507107151 /nfs/dbraw/zinc/10/71/51/507107151.db2.gz PIOHKJWNXPRMDC-YLJYHZDGSA-N 0 3 362.429 3.058 20 30 FGEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133305 507112474 /nfs/dbraw/zinc/11/24/74/507112474.db2.gz BRCRRPXSDHJGNJ-BHIYHBOVSA-N 0 3 361.530 3.197 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1(O)CCCCCC1)C(C)C ZINC000605219791 507113667 /nfs/dbraw/zinc/11/36/67/507113667.db2.gz HSHNOHCSAODQFI-SFHVURJKSA-N 0 3 351.535 3.070 20 30 FGEDHN COc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)c2ccccc2)cc1 ZINC000594425571 507125671 /nfs/dbraw/zinc/12/56/71/507125671.db2.gz KWVFXOVCXCEJDD-VQTJNVASSA-N 0 3 351.450 3.312 20 30 FGEDHN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594426802 507126996 /nfs/dbraw/zinc/12/69/96/507126996.db2.gz HEIMEXGSRXQNNN-QAPCUYQASA-N 0 3 356.470 3.051 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C ZINC000610177706 507128499 /nfs/dbraw/zinc/12/84/99/507128499.db2.gz BNSZEDYMEJHUIX-CRAIPNDOSA-N 0 3 364.449 3.300 20 30 FGEDHN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594431613 507128696 /nfs/dbraw/zinc/12/86/96/507128696.db2.gz OSHQNLZFMPMKAN-SJLPKXTDSA-N 0 3 370.497 3.359 20 30 FGEDHN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@H](N)CCCCC#N ZINC000594430911 507128979 /nfs/dbraw/zinc/12/89/79/507128979.db2.gz DCKZQMRYFDLQHG-MOPGFXCFSA-N 0 3 365.481 3.467 20 30 FGEDHN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@@H](N)CCCCC#N ZINC000594430913 507129460 /nfs/dbraw/zinc/12/94/60/507129460.db2.gz DCKZQMRYFDLQHG-OALUTQOASA-N 0 3 365.481 3.467 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000594430873 507129766 /nfs/dbraw/zinc/12/97/66/507129766.db2.gz CKONJCBUOBPACO-HNNXBMFYSA-N 0 3 356.451 3.350 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000594434147 507131657 /nfs/dbraw/zinc/13/16/57/507131657.db2.gz WVPFZUMGJMZEBF-HZPDHXFCSA-N 0 3 369.387 3.017 20 30 FGEDHN CCCN(C(=O)[C@H](N)CCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594440444 507132681 /nfs/dbraw/zinc/13/26/81/507132681.db2.gz CKFDBQXIBXNWHT-LEWJYISDSA-N 0 3 370.541 3.301 20 30 FGEDHN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc2)n1 ZINC000594440037 507133852 /nfs/dbraw/zinc/13/38/52/507133852.db2.gz YPKWTQXYAWNZLW-APWZRJJASA-N 0 3 353.470 3.078 20 30 FGEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1ccccc1Br ZINC000594442695 507134860 /nfs/dbraw/zinc/13/48/60/507134860.db2.gz HWQSFEJOBGKHOY-OAHLLOKOSA-N 0 3 366.303 3.254 20 30 FGEDHN CCNC(=O)COc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594495970 507155641 /nfs/dbraw/zinc/15/56/41/507155641.db2.gz VUDBSUOTMPJYSN-UHFFFAOYSA-N 0 3 365.477 3.292 20 30 FGEDHN CN(C)[C@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)Cc1ccccc1 ZINC000610246770 507157814 /nfs/dbraw/zinc/15/78/14/507157814.db2.gz YREACPQUSOFHKD-INIZCTEOSA-N 0 3 366.415 3.391 20 30 FGEDHN CC(C)N1CCN(C2CCN(c3cccc(C(F)F)c3C#N)CC2)CC1 ZINC000594569972 507191255 /nfs/dbraw/zinc/19/12/55/507191255.db2.gz XTLFNBNNMUNPIK-UHFFFAOYSA-N 0 3 362.468 3.491 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000591315911 507198139 /nfs/dbraw/zinc/19/81/39/507198139.db2.gz UJGZJOAGARVDFT-FQEVSTJZSA-N 0 3 367.493 3.087 20 30 FGEDHN COC(=O)c1ccc(S[C@H]2CCCN(Cc3ccccc3)C2)c(C#N)n1 ZINC000594593003 507200452 /nfs/dbraw/zinc/20/04/52/507200452.db2.gz MCFLDCIMEGKGRW-INIZCTEOSA-N 0 3 367.474 3.497 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C3CCC3)C2)cc1 ZINC000591340896 507209480 /nfs/dbraw/zinc/20/94/80/507209480.db2.gz APMUMMNSFXRIJN-UKRRQHHQSA-N 0 3 361.467 3.026 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000584251735 507237425 /nfs/dbraw/zinc/23/74/25/507237425.db2.gz FQNKMFRDERKSST-YJBOKZPZSA-N 0 3 351.450 3.428 20 30 FGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433597 507237962 /nfs/dbraw/zinc/23/79/62/507237962.db2.gz WIKBXDSFMQDIRZ-LAUBAEHRSA-N 0 3 362.477 3.092 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C12CCC2 ZINC000594719121 507252097 /nfs/dbraw/zinc/25/20/97/507252097.db2.gz XOHXEDANMNWJGM-IPMKNSEASA-N 0 3 367.493 3.379 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(OC3CC3)c2F)cc1 ZINC000598139771 507275717 /nfs/dbraw/zinc/27/57/17/507275717.db2.gz FEOZDKZDFVAKSE-KRWDZBQOSA-N 0 3 363.392 3.237 20 30 FGEDHN N#CC1(c2ccc(CNCc3ccnc(N4CCSCC4)c3)cc2)CC1 ZINC000601153300 507281016 /nfs/dbraw/zinc/28/10/16/507281016.db2.gz WYKVXHRNRSEVFP-UHFFFAOYSA-N 0 3 364.518 3.480 20 30 FGEDHN C[C@H](NC1(CNC(=O)C2(C#N)CC3(CC3)C2)CCOCC1)c1ccccc1 ZINC000601171848 507286068 /nfs/dbraw/zinc/28/60/68/507286068.db2.gz ROGRGAUBALCRLB-KRWDZBQOSA-N 0 3 367.493 3.087 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000598195673 507306980 /nfs/dbraw/zinc/30/69/80/507306980.db2.gz QTLANQBDFYNVTG-KRWDZBQOSA-N 0 3 369.415 3.225 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)C(C#N)CCc3ccccc3)CCOCC2)c1 ZINC000598246806 507340870 /nfs/dbraw/zinc/34/08/70/507340870.db2.gz SWSUHBLRBUMPCD-HXUWFJFHSA-N 0 3 373.456 3.453 20 30 FGEDHN CN(C)Cc1cccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000598248194 507342671 /nfs/dbraw/zinc/34/26/71/507342671.db2.gz IMJLIYAFETYIDU-UHFFFAOYSA-N 0 3 363.461 3.056 20 30 FGEDHN C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591796680 507363253 /nfs/dbraw/zinc/36/32/53/507363253.db2.gz UDJPWVVYVJJWKH-FGTMMUONSA-N 0 3 355.482 3.362 20 30 FGEDHN N#CC1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000598307605 507370889 /nfs/dbraw/zinc/37/08/89/507370889.db2.gz AGJBMQHEIXGHNE-UHFFFAOYSA-N 0 3 368.525 3.179 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000598342780 507384842 /nfs/dbraw/zinc/38/48/42/507384842.db2.gz QCNPGCBSVDILLB-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN CCCN1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000598341388 507384990 /nfs/dbraw/zinc/38/49/90/507384990.db2.gz AKXJSNYKTJUTCS-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN CC(C)[C@H](O)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000598350359 507389190 /nfs/dbraw/zinc/38/91/90/507389190.db2.gz IFOWCLKVVFPZRH-HKBOAZHASA-N 0 3 361.445 3.115 20 30 FGEDHN N#CCN1CCC(N[C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000610812574 507400217 /nfs/dbraw/zinc/40/02/17/507400217.db2.gz BQLDJFGUZXAMAZ-MRXNPFEDSA-N 0 3 364.287 3.240 20 30 FGEDHN C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598411282 507414399 /nfs/dbraw/zinc/41/43/99/507414399.db2.gz IMBHYRDCLDHXSV-LAUBAEHRSA-N 0 3 355.482 3.316 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000610864673 507419849 /nfs/dbraw/zinc/41/98/49/507419849.db2.gz YALIVKGCNJRLPQ-IAGOWNOFSA-N 0 3 352.482 3.138 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000595255468 507440566 /nfs/dbraw/zinc/44/05/66/507440566.db2.gz CXQWMQSHQWULAQ-LLVKDONJSA-N 0 3 370.265 3.472 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000595255469 507440804 /nfs/dbraw/zinc/44/08/04/507440804.db2.gz CXQWMQSHQWULAQ-NSHDSACASA-N 0 3 370.265 3.472 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000595259283 507443283 /nfs/dbraw/zinc/44/32/83/507443283.db2.gz JGUAXTUNVKCINX-CVEARBPZSA-N 0 3 364.287 3.354 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000610967420 507456898 /nfs/dbraw/zinc/45/68/98/507456898.db2.gz QMTWDVYOVALCCD-TZIWHRDSSA-N 0 3 352.434 3.035 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCOCc3ccccc3)CC2)c1 ZINC000595367581 507472619 /nfs/dbraw/zinc/47/26/19/507472619.db2.gz QKKJLPXOBHDQPP-UHFFFAOYSA-N 0 3 363.461 3.426 20 30 FGEDHN CC[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H](C)N1 ZINC000598532253 507475537 /nfs/dbraw/zinc/47/55/37/507475537.db2.gz WHFLSZBTVXJUNQ-OXJNMPFZSA-N 0 3 363.461 3.350 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000592075700 507476056 /nfs/dbraw/zinc/47/60/56/507476056.db2.gz YDYJUYXIEYYSJN-UHFFFAOYSA-N 0 3 365.477 3.431 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2([C@H]3CCCCO3)CCC2)cc1 ZINC000601856254 507490835 /nfs/dbraw/zinc/49/08/35/507490835.db2.gz ZYWYMYDHWAXDOI-RTBURBONSA-N 0 3 351.450 3.096 20 30 FGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000584791861 507508318 /nfs/dbraw/zinc/50/83/18/507508318.db2.gz GFOJYMAHVSUNOF-HNNXBMFYSA-N 0 3 368.403 3.356 20 30 FGEDHN COc1ccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)cc1Br ZINC000598600048 507512998 /nfs/dbraw/zinc/51/29/98/507512998.db2.gz MGBIKYXNNIYOGQ-WCQYABFASA-N 0 3 355.276 3.409 20 30 FGEDHN CC(C)[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1(CO)CC=CC1 ZINC000592177114 507524850 /nfs/dbraw/zinc/52/48/50/507524850.db2.gz BPVZJQMIQRCNJV-SFHVURJKSA-N 0 3 352.438 3.051 20 30 FGEDHN C[C@@]1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCCN1Cc1ccccc1 ZINC000614493385 507541759 /nfs/dbraw/zinc/54/17/59/507541759.db2.gz ACHYOHXZXMFAKY-RTWAWAEBSA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1c(F)cccc1CNC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000602015368 507555096 /nfs/dbraw/zinc/55/50/96/507555096.db2.gz BSFNWYJNZIKFJB-UHFFFAOYSA-N 0 3 360.820 3.073 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000598718398 507566790 /nfs/dbraw/zinc/56/67/90/507566790.db2.gz AXXZGJQYLBBNKT-IBGZPJMESA-N 0 3 369.440 3.468 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)N1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000595572159 507567142 /nfs/dbraw/zinc/56/71/42/507567142.db2.gz SYQWXDIFMMGGMB-HUUCEWRRSA-N 0 3 352.400 3.436 20 30 FGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000595605061 507586582 /nfs/dbraw/zinc/58/65/82/507586582.db2.gz UMRZOKJIXRAGLR-CJNGLKHVSA-N 0 3 355.438 3.347 20 30 FGEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000595619446 507596032 /nfs/dbraw/zinc/59/60/32/507596032.db2.gz BEZCWHIBTXIWQM-CYBMUJFWSA-N 0 3 350.260 3.403 20 30 FGEDHN CNC(=O)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)Cc1ccc(F)cc1C ZINC000592391671 507634101 /nfs/dbraw/zinc/63/41/01/507634101.db2.gz XKTVBQBTRXUJAU-GHTZIAJQSA-N 0 3 365.452 3.188 20 30 FGEDHN CN1CCC(n2cc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cn2)CC1 ZINC000602277441 507652727 /nfs/dbraw/zinc/65/27/27/507652727.db2.gz SDOBMOBRTWCUBF-IBGZPJMESA-N 0 3 366.469 3.316 20 30 FGEDHN CN(C)C(=O)COc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390900 507659256 /nfs/dbraw/zinc/65/92/56/507659256.db2.gz JXQLCXMKGQSAHS-NRFANRHFSA-N 0 3 363.461 3.192 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000611396392 507660688 /nfs/dbraw/zinc/66/06/88/507660688.db2.gz OWNKBIRERODMSA-SFHVURJKSA-N 0 3 356.853 3.425 20 30 FGEDHN CN(C)CCOc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)ccn1 ZINC000602357898 507682471 /nfs/dbraw/zinc/68/24/71/507682471.db2.gz POFFYMYWSDRLEZ-UHFFFAOYSA-N 0 3 364.449 3.093 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]([C@@H]4CCCCO4)C3)C2=O)cc1 ZINC000595790166 507687228 /nfs/dbraw/zinc/68/72/28/507687228.db2.gz ULJOANILOBLCHA-JBACZVJFSA-N 0 3 367.493 3.335 20 30 FGEDHN N#Cc1c(NC(=O)CNC2(CO)CCCCC2)sc2c1CCCCC2 ZINC000611463077 507692355 /nfs/dbraw/zinc/69/23/55/507692355.db2.gz TWFVQMSBPFSEKL-UHFFFAOYSA-N 0 3 361.511 3.112 20 30 FGEDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C#N)CCc1ccccc1 ZINC000586865703 507696896 /nfs/dbraw/zinc/69/68/96/507696896.db2.gz HRWLSPIXJWBDDX-SFHVURJKSA-N 0 3 351.406 3.368 20 30 FGEDHN N#CC1CCC(NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000602512913 507732841 /nfs/dbraw/zinc/73/28/41/507732841.db2.gz WRXQDFCATVSJRP-UHFFFAOYSA-N 0 3 361.511 3.033 20 30 FGEDHN N#CC1CCC(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000602546687 507744665 /nfs/dbraw/zinc/74/46/65/507744665.db2.gz KFYPPYDUWVKLOE-PXCJXSSVSA-N 0 3 351.372 3.483 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2c1CCNC2 ZINC000595930538 507747568 /nfs/dbraw/zinc/74/75/68/507747568.db2.gz FHZQAUXSKBOYRD-UHFFFAOYSA-N 0 3 351.406 3.069 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNc2ccc3ccccc3n2)cc1 ZINC000472206372 561021084 /nfs/dbraw/zinc/02/10/84/561021084.db2.gz JTTAGYNSFIHJFF-LJQANCHMSA-N 0 3 369.428 3.017 20 30 FGEDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000736195358 599315973 /nfs/dbraw/zinc/31/59/73/599315973.db2.gz GLADVVVWZGKKRX-HNNXBMFYSA-N 0 3 374.448 3.343 20 30 FGEDHN CC[NH+](CC)Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829680237 601301826 /nfs/dbraw/zinc/30/18/26/601301826.db2.gz UQTVBQZTALPLJG-HXUWFJFHSA-N 0 3 351.450 3.316 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000089336230 700389336 /nfs/dbraw/zinc/38/93/36/700389336.db2.gz UUAOYIHLHHLNHO-ZDUSSCGKSA-N 0 3 353.293 3.386 20 30 FGEDHN CCOCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000105757917 700504641 /nfs/dbraw/zinc/50/46/41/700504641.db2.gz FUIICIJUSAUUFW-CMPLNLGQSA-N 0 3 373.236 3.082 20 30 FGEDHN CCn1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000114618203 700580755 /nfs/dbraw/zinc/58/07/55/700580755.db2.gz XCOLDKUXJQMNCF-CYBMUJFWSA-N 0 3 351.193 3.171 20 30 FGEDHN N#CC(C(=O)CSCc1ccc(Cl)cc1)C(=O)NC1CCCC1 ZINC000119744830 700637642 /nfs/dbraw/zinc/63/76/42/700637642.db2.gz AZRXMXLWYWBFKG-OAHLLOKOSA-N 0 3 350.871 3.341 20 30 FGEDHN N#Cc1ccc2ncc(CNC[C@H](O)c3ccc(Cl)cc3Cl)n2c1 ZINC000123721813 700709111 /nfs/dbraw/zinc/70/91/11/700709111.db2.gz XHKGKTZAVUEANF-INIZCTEOSA-N 0 3 361.232 3.336 20 30 FGEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1ccc(Cl)cc1Cl ZINC000124338025 700718569 /nfs/dbraw/zinc/71/85/69/700718569.db2.gz LMMDQGDWZRPJQG-AWEZNQCLSA-N 0 3 371.264 3.178 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCOCC1 ZINC000126583516 700750280 /nfs/dbraw/zinc/75/02/80/700750280.db2.gz HGPGDVQBFVXVMX-CYBMUJFWSA-N 0 3 354.378 3.075 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSc2ccc(C)cc2)c1 ZINC000127048797 700756580 /nfs/dbraw/zinc/75/65/80/700756580.db2.gz CSJRMOIKDORKOG-QGZVFWFLSA-N 0 3 354.431 3.443 20 30 FGEDHN N#CC(C(=O)COc1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC000127841926 700767529 /nfs/dbraw/zinc/76/75/29/700767529.db2.gz HDTUZKUQZAPTSM-HNNXBMFYSA-N 0 3 373.206 3.175 20 30 FGEDHN CSC[C@@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000135451553 704845835 /nfs/dbraw/zinc/84/58/35/704845835.db2.gz HIYXMVVTPPQTKI-LSDHHAIUSA-N 0 3 352.463 3.051 20 30 FGEDHN Cc1nc([C@@H](C)NC(=O)NCC2(N3CCSCC3)CCCC2)cs1 ZINC000329351322 713829122 /nfs/dbraw/zinc/82/91/22/713829122.db2.gz DMIHIGRNNZYSQU-CYBMUJFWSA-N 0 3 368.572 3.378 20 30 FGEDHN CC#CC[C@H](CO)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000641768671 717928944 /nfs/dbraw/zinc/92/89/44/717928944.db2.gz FTVJPVOIDQEPIZ-QGZVFWFLSA-N 0 3 356.853 3.456 20 30 FGEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)nc1Cl ZINC000375087622 713966356 /nfs/dbraw/zinc/96/63/56/713966356.db2.gz AIXMOISYCAALRE-ZDUSSCGKSA-N 0 3 374.897 3.310 20 30 FGEDHN CN(CCNCc1cccc(F)c1OCC(F)(F)F)CC(F)(F)F ZINC000623415401 715330784 /nfs/dbraw/zinc/33/07/84/715330784.db2.gz KLMAAULAQSBQBZ-UHFFFAOYSA-N 0 3 362.289 3.351 20 30 FGEDHN C=CCC1(NCc2nnc3n2c2ccsc2c(=O)n3C)CCCCC1 ZINC000625935137 715813954 /nfs/dbraw/zinc/81/39/54/715813954.db2.gz OGYGZODZZBIKLY-UHFFFAOYSA-N 0 3 357.483 3.011 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(C)cs1 ZINC000774056726 723853553 /nfs/dbraw/zinc/85/35/53/723853553.db2.gz YDUWNMVHHMDYBA-ZDUSSCGKSA-N 0 3 357.435 3.130 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000647582082 718368191 /nfs/dbraw/zinc/36/81/91/718368191.db2.gz BMRUGTFCYSMXQK-HKUYNNGSSA-N 0 3 350.528 3.356 20 30 FGEDHN N#CCC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000781546585 724573171 /nfs/dbraw/zinc/57/31/71/724573171.db2.gz GGUTVZVDDMPMPT-UHFFFAOYSA-N 0 3 356.539 3.151 20 30 FGEDHN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655633386 719316647 /nfs/dbraw/zinc/31/66/47/719316647.db2.gz NWGUUEBFWDSKAO-UHFFFAOYSA-N 0 3 359.440 3.270 20 30 FGEDHN C=CC[C@@H]1CCCN(Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000668494010 721298577 /nfs/dbraw/zinc/29/85/77/721298577.db2.gz UDYOYRQLXQQNEW-CYBMUJFWSA-N 0 3 352.862 3.001 20 30 FGEDHN Cc1cc(NN=Cc2cnc3c(C)cc(Br)cn23)nc(C)n1 ZINC000783826394 724793982 /nfs/dbraw/zinc/79/39/82/724793982.db2.gz GCEZXUXBFBDRRG-UHFFFAOYSA-N 0 3 359.231 3.258 20 30 FGEDHN C=C(Br)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000726239279 722432295 /nfs/dbraw/zinc/43/22/95/722432295.db2.gz YRPYSNQRDUTECJ-DZGCQCFKSA-N 0 3 352.276 3.030 20 30 FGEDHN CCOC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000730422386 722468374 /nfs/dbraw/zinc/46/83/74/722468374.db2.gz XCVFYPVWGREYFC-RISCZKNCSA-N 0 3 363.414 3.382 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000733259648 722494721 /nfs/dbraw/zinc/49/47/21/722494721.db2.gz GFTRRWBQNYPAHR-UHFFFAOYSA-N 0 3 371.706 3.412 20 30 FGEDHN CCOC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000733796646 722500942 /nfs/dbraw/zinc/50/09/42/722500942.db2.gz JNMJFAUHUVBHBG-HUUCEWRRSA-N 0 3 357.479 3.221 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSc3nncn3C(C)C)nc21 ZINC000735790112 722519286 /nfs/dbraw/zinc/51/92/86/722519286.db2.gz VAIFWQHWEPMOCG-GFCCVEGCSA-N 0 3 354.439 3.012 20 30 FGEDHN C=CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccncc1 ZINC000749130048 722716909 /nfs/dbraw/zinc/71/69/09/722716909.db2.gz VPXDJABDINXSMC-BEFAXECRSA-N 0 3 359.495 3.300 20 30 FGEDHN N#CC(C(=O)C[C@H]1CSCCS1)C(=O)Nc1ccccc1Cl ZINC000752478119 722858735 /nfs/dbraw/zinc/85/87/35/722858735.db2.gz YNMBPRPXKGYZPD-WDEREUQCSA-N 0 3 354.884 3.226 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000753733222 722910869 /nfs/dbraw/zinc/91/08/69/722910869.db2.gz QTFOOTZYKMYCDH-YOEHRIQHSA-N 0 3 357.903 3.436 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CCCCS2(=O)=O)cc1 ZINC000753733218 722910950 /nfs/dbraw/zinc/91/09/50/722910950.db2.gz QTFOOTZYKMYCDH-WMLDXEAASA-N 0 3 357.903 3.436 20 30 FGEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000754818251 722946285 /nfs/dbraw/zinc/94/62/85/722946285.db2.gz NZZYGFNSCAGODE-GFCCVEGCSA-N 0 3 357.797 3.483 20 30 FGEDHN CC(C)(C)[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000790435388 723139754 /nfs/dbraw/zinc/13/97/54/723139754.db2.gz LREYFQKEOYECOS-SUMWQHHRSA-N 0 3 357.479 3.219 20 30 FGEDHN COc1ncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000793125367 723402409 /nfs/dbraw/zinc/40/24/09/723402409.db2.gz OZRHOCXPTNUSRW-SNVBAGLBSA-N 0 3 364.188 3.358 20 30 FGEDHN CC1C(NN=c2nc[nH]c3sccc32)=CC(=O)N1C(=O)OC(C)(C)C ZINC000766429347 723573798 /nfs/dbraw/zinc/57/37/98/723573798.db2.gz CIYVUISQJSETDZ-SECBINFHSA-N 0 3 361.427 3.015 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)[C@@H]1OCCc2sccc21 ZINC000796746301 723653104 /nfs/dbraw/zinc/65/31/04/723653104.db2.gz JSOIVIUAFIYNTQ-MRAWALMUSA-N 0 3 360.479 3.156 20 30 FGEDHN CC1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C#N ZINC000769891342 723699273 /nfs/dbraw/zinc/69/92/73/723699273.db2.gz BWLCSJOYGWRIFC-DYVFJYSZSA-N 0 3 352.463 3.487 20 30 FGEDHN CC[C@@H](CSC)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773704516 723815205 /nfs/dbraw/zinc/81/52/05/723815205.db2.gz XJSYOYBGZPTJLW-LSDHHAIUSA-N 0 3 354.479 3.297 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC1CCN(C(=O)OCC)CC1 ZINC000778155822 724304627 /nfs/dbraw/zinc/30/46/27/724304627.db2.gz IDANYXNRLWCECQ-UHFFFAOYSA-N 0 3 350.846 3.063 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)COC(C)(C)C ZINC000778298317 724319275 /nfs/dbraw/zinc/31/92/75/724319275.db2.gz PYKSIHGOAJCVGY-NSHDSACASA-N 0 3 352.818 3.120 20 30 FGEDHN Cc1noc(C)c1[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533356 724987121 /nfs/dbraw/zinc/98/71/21/724987121.db2.gz DDFOPDDKWGQZMY-BMIGLBTASA-N 0 3 359.813 3.074 20 30 FGEDHN N#CC(C(=O)Cc1c(F)cccc1F)C(=O)NCc1cccc(Cl)c1 ZINC000786534458 724987383 /nfs/dbraw/zinc/98/73/83/724987383.db2.gz LHFYGUNVXIJQOP-CQSZACIVSA-N 0 3 362.763 3.186 20 30 FGEDHN C=CCCOCC(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000787049845 725014828 /nfs/dbraw/zinc/01/48/28/725014828.db2.gz IIKFIYZRFVEHNB-BXUZGUMPSA-N 0 3 369.248 3.472 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000810235633 725298735 /nfs/dbraw/zinc/29/87/35/725298735.db2.gz RSSZOLJVMXMQIS-HXUWFJFHSA-N 0 3 359.491 3.169 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC000818615371 727317194 /nfs/dbraw/zinc/31/71/94/727317194.db2.gz LJUJGGNOKWOZDI-UHFFFAOYSA-N 0 3 357.679 3.096 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(I)cc1C ZINC000876546346 736111906 /nfs/dbraw/zinc/11/19/06/736111906.db2.gz IJWZDEANESKWEI-SNVBAGLBSA-N 0 3 364.614 3.008 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC[C@H]1CC1(Cl)Cl ZINC000824368883 729333629 /nfs/dbraw/zinc/33/36/29/729333629.db2.gz VYZFSMFYPJFDLV-INIZCTEOSA-N 0 3 368.308 3.422 20 30 FGEDHN C#C[C@H](NCC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000827569666 729431868 /nfs/dbraw/zinc/43/18/68/729431868.db2.gz CIRAIECXUHOWBL-KRWDZBQOSA-N 0 3 362.267 3.243 20 30 FGEDHN CC(C)(CCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)[N+](=O)[O-] ZINC000835063931 729854603 /nfs/dbraw/zinc/85/46/03/729854603.db2.gz BPLQUBASWAGQDP-LBPRGKRZSA-N 0 3 372.208 3.476 20 30 FGEDHN C=C(Br)CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000836257348 729950007 /nfs/dbraw/zinc/95/00/07/729950007.db2.gz SOZRQNIUBKQQSV-CQSZACIVSA-N 0 3 366.303 3.059 20 30 FGEDHN FC(F)(F)CNC(=S)NN=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842525207 730511957 /nfs/dbraw/zinc/51/19/57/730511957.db2.gz NNKNSASVWALKSC-UHFFFAOYSA-N 0 3 370.444 3.197 20 30 FGEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C2(CCC2)CO1 ZINC000844422255 730715752 /nfs/dbraw/zinc/71/57/52/730715752.db2.gz LELMUUNWSPQIRR-KGLIPLIRSA-N 0 3 355.463 3.116 20 30 FGEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000847021948 731008090 /nfs/dbraw/zinc/00/80/90/731008090.db2.gz DEPWBUZHXSPTLM-HUUCEWRRSA-N 0 3 363.299 3.141 20 30 FGEDHN N#CC(C(=O)C[C@@H]1OCc2cc(Cl)ccc21)C(=O)NC1CCCCC1 ZINC000847624895 731071792 /nfs/dbraw/zinc/07/17/92/731071792.db2.gz YGQZADLROOFPFF-WMZOPIPTSA-N 0 3 360.841 3.459 20 30 FGEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000850978459 731408276 /nfs/dbraw/zinc/40/82/76/731408276.db2.gz STLRLPMWTRTNRE-NRUUGDAUSA-N 0 3 352.221 3.429 20 30 FGEDHN CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852733205 731627708 /nfs/dbraw/zinc/62/77/08/731627708.db2.gz XOQFVXDSHDIZKR-GBESFXJTSA-N 0 3 365.905 3.042 20 30 FGEDHN C=CCn1c(-c2cccc(C)c2)nn(CN(C)CC2CN(C)C2)c1=S ZINC000853556066 731722697 /nfs/dbraw/zinc/72/26/97/731722697.db2.gz WLRLIZMKHCSKPJ-UHFFFAOYSA-N 0 3 357.527 3.026 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H](S(=O)(=O)c3ccccc3)C1)CC2 ZINC000866516691 733359780 /nfs/dbraw/zinc/35/97/80/733359780.db2.gz GPBBYCYUHPDCLS-YVWKXTFCSA-N 0 3 352.459 3.140 20 30 FGEDHN CC(C)(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc(Cl)n1 ZINC000870162832 733819112 /nfs/dbraw/zinc/81/91/12/733819112.db2.gz NZLYCQSCOPBVRG-GFCCVEGCSA-N 0 3 356.813 3.389 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c([O-])c1 ZINC000871596934 733948395 /nfs/dbraw/zinc/94/83/95/733948395.db2.gz HRGMLTGQDCKBOL-DIWCQABNSA-N 0 3 364.511 3.013 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000876784808 736143952 /nfs/dbraw/zinc/14/39/52/736143952.db2.gz KMDXJNQEPRIKSS-GOSISDBHSA-N 0 3 358.873 3.092 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000876784809 736144070 /nfs/dbraw/zinc/14/40/70/736144070.db2.gz KMDXJNQEPRIKSS-SFHVURJKSA-N 0 3 358.873 3.092 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000876895630 736159505 /nfs/dbraw/zinc/15/95/05/736159505.db2.gz GXSDUYMDLZTDMY-STQMWFEESA-N 0 3 353.919 3.198 20 30 FGEDHN N#Cc1cnc(Cl)c(CNC2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000876902223 736160743 /nfs/dbraw/zinc/16/07/43/736160743.db2.gz CCTCOVOMOWCASS-UHFFFAOYSA-N 0 3 354.841 3.001 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000876941006 736165641 /nfs/dbraw/zinc/16/56/41/736165641.db2.gz DUIMNMWEMNFXDM-NSHDSACASA-N 0 3 363.708 3.472 20 30 FGEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877477300 736224605 /nfs/dbraw/zinc/22/46/05/736224605.db2.gz COJLPNNHHITDRO-SWLSCSKDSA-N 0 3 364.877 3.342 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](c3nccs3)C1)CCC2 ZINC000880318628 737153860 /nfs/dbraw/zinc/15/38/60/737153860.db2.gz IZLDKDABUBPTHA-GFCCVEGCSA-N 0 3 372.519 3.383 20 30 FGEDHN N#CCCCOc1cccc(CNC[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883365955 737559155 /nfs/dbraw/zinc/55/91/55/737559155.db2.gz KMCODDCEODZWOF-CYBMUJFWSA-N 0 3 352.303 3.017 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccccc1SC(F)(F)F)C2 ZINC000884069200 737630512 /nfs/dbraw/zinc/63/05/12/737630512.db2.gz UOXPNKDSRMEDAQ-VTWZXRTESA-N 0 3 355.385 3.376 20 30 FGEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(Cl)c(Cl)c1 ZINC000884112008 737634526 /nfs/dbraw/zinc/63/45/26/737634526.db2.gz ZIQZACHQQDQBFN-HLZQHVJHSA-N 0 3 366.292 3.484 20 30 FGEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(F)cc1Cl ZINC000884138487 737636932 /nfs/dbraw/zinc/63/69/32/737636932.db2.gz PWKDPWULFVTAAP-MLZJXEJWSA-N 0 3 363.864 3.012 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCC(c3ccc(Cl)cc3)CC1)C2 ZINC000884310627 737653429 /nfs/dbraw/zinc/65/34/29/737653429.db2.gz CQHQVPRDGSVWOK-OHTSDLOESA-N 0 3 357.885 3.185 20 30 FGEDHN C[C@](CO)(NC[C@@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1 ZINC000886236996 739234886 /nfs/dbraw/zinc/23/48/86/739234886.db2.gz SPBAEDGVSMSDPR-JKSUJKDBSA-N 0 3 357.281 3.235 20 30 FGEDHN CSc1ccc(CNCc2ccc(C(=O)NC3CC3)cc2)cc1C#N ZINC000886278762 739238579 /nfs/dbraw/zinc/23/85/79/739238579.db2.gz IMGVMVOHBRMCHT-UHFFFAOYSA-N 0 3 351.475 3.462 20 30 FGEDHN C#CCC1(NCc2nc3cc(C(F)(F)F)ccc3n2C)CCOCC1 ZINC000886381592 739252164 /nfs/dbraw/zinc/25/21/64/739252164.db2.gz JMZKZUIEXCFOSL-UHFFFAOYSA-N 0 3 351.372 3.254 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 ZINC000888782977 739574472 /nfs/dbraw/zinc/57/44/72/739574472.db2.gz JDUYCYMAMNDRHU-UHFFFAOYSA-N 0 3 351.863 3.117 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2c(Cl)cc(NC(C)=O)cc2Cl)CC1 ZINC000892117920 739965942 /nfs/dbraw/zinc/96/59/42/739965942.db2.gz CFUBNWWIVZIJJM-UHFFFAOYSA-N 0 3 368.264 3.236 20 30 FGEDHN C#CCC1(NCc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000895894099 742467169 /nfs/dbraw/zinc/46/71/69/742467169.db2.gz IVSRJHFPBCWOBV-UHFFFAOYSA-N 0 3 359.245 3.081 20 30 FGEDHN C=CCC[C@@H](NCc1ccccc1S(C)(=O)=O)[C@@]1(C)CCCCO1 ZINC000903019307 743798035 /nfs/dbraw/zinc/79/80/35/743798035.db2.gz MUPHTNWNXLDGQN-RTBURBONSA-N 0 3 351.512 3.474 20 30 FGEDHN CC1/C(=C\c2cc(Cl)ccc2OC[C@@H]2CCCO2)C(=O)c2ncnn21 ZINC000905087689 743992366 /nfs/dbraw/zinc/99/23/66/743992366.db2.gz YQCSKQWNULRVGT-RJXTXEIUSA-N 0 3 359.813 3.330 20 30 FGEDHN N#Cc1sccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000906947563 744174130 /nfs/dbraw/zinc/17/41/30/744174130.db2.gz MITQQQWVTRRLGG-UHFFFAOYSA-N 0 3 355.463 3.076 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000948852384 762352948 /nfs/dbraw/zinc/35/29/48/762352948.db2.gz MPKJYHRCIMBNMT-JYJNAYRXSA-N 0 3 362.436 3.233 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(F)cc1 ZINC000916016033 758023881 /nfs/dbraw/zinc/02/38/81/758023881.db2.gz LABFWVMSPFDLJA-UHFFFAOYSA-N 0 3 356.470 3.458 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1[nH]c(C)nc1C ZINC000916410443 758080913 /nfs/dbraw/zinc/08/09/13/758080913.db2.gz VCDNYNWAYASOIW-UHFFFAOYSA-N 0 3 360.531 3.125 20 30 FGEDHN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000916883254 758149396 /nfs/dbraw/zinc/14/93/96/758149396.db2.gz HYLVYJAZVRDDEW-BBRMVZONSA-N 0 3 358.829 3.452 20 30 FGEDHN COc1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916904703 758152757 /nfs/dbraw/zinc/15/27/57/758152757.db2.gz CQIVXKMAAZKPAC-GFCCVEGCSA-N 0 3 358.781 3.075 20 30 FGEDHN COc1cccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000916909995 758153661 /nfs/dbraw/zinc/15/36/61/758153661.db2.gz MRBUOYSGGDWLDW-CQSZACIVSA-N 0 3 358.781 3.075 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2cccc(Cl)c2)cc1 ZINC000916949722 758156958 /nfs/dbraw/zinc/15/69/58/758156958.db2.gz GSEQTIDZLJNONY-INIZCTEOSA-N 0 3 358.781 3.075 20 30 FGEDHN Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000930308680 760576762 /nfs/dbraw/zinc/57/67/62/760576762.db2.gz LEIJOIGOEGNAHT-UHFFFAOYSA-N 0 3 353.388 3.066 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cncc(Cl)c1 ZINC000932110821 761055402 /nfs/dbraw/zinc/05/54/02/761055402.db2.gz IXKQEINWSPLJFW-UHFFFAOYSA-N 0 3 357.845 3.202 20 30 FGEDHN CC(C)[C@H](O)CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940191 761279922 /nfs/dbraw/zinc/27/99/22/761279922.db2.gz OGAJHQQLSJCHIG-KXUCPTDWSA-N 0 3 369.296 3.496 20 30 FGEDHN CC1(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1 ZINC000932945457 761282654 /nfs/dbraw/zinc/28/26/54/761282654.db2.gz XLGLTYVVHCRIIM-HTQZYQBOSA-N 0 3 353.253 3.126 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@](C)(c2ccccc2)C(F)(F)F)CC1 ZINC000933418310 761383880 /nfs/dbraw/zinc/38/38/80/761383880.db2.gz SBMWZIVSCXWOPJ-QGZVFWFLSA-N 0 3 355.404 3.414 20 30 FGEDHN C[C@H](N[C@@H]1CCOC12CCCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000934386968 761619834 /nfs/dbraw/zinc/61/98/34/761619834.db2.gz ATBGXCXJSTYLAX-BLLLJJGKSA-N 0 3 359.495 3.127 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)Cc1ccc(Cl)cc1 ZINC000960884975 762741936 /nfs/dbraw/zinc/74/19/36/762741936.db2.gz UCMAVKAXPSTFBS-OTWHNJEPSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(CCCc2ccsc2)C1 ZINC000969691961 762861052 /nfs/dbraw/zinc/86/10/52/762861052.db2.gz JJWKWOYFQMSAEU-LZQZEXGQSA-N 0 3 362.539 3.098 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(Cc1csc(C)c1)CC2 ZINC000992242393 764592500 /nfs/dbraw/zinc/59/25/00/764592500.db2.gz RKKSLSRJYDXLFM-AJYBTWMASA-N 0 3 360.523 3.261 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000998005368 765091946 /nfs/dbraw/zinc/09/19/46/765091946.db2.gz ADCBKUXARAXZFQ-HKWWEPQSSA-N 0 3 354.922 3.423 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCc2cccc(Cl)c2F)C1 ZINC001000232973 765206735 /nfs/dbraw/zinc/20/67/35/765206735.db2.gz QRJOLAVUEHCBHB-UXLLHSPISA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCCN2CC(=C)Cl)CC1 ZINC001004552276 765436927 /nfs/dbraw/zinc/43/69/27/765436927.db2.gz MHKCHFIVMDFAPL-SQNIBIBYSA-N 0 3 352.906 3.033 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001020718310 765886712 /nfs/dbraw/zinc/88/67/12/765886712.db2.gz NCZAWWQLPXLPGU-KONPQCLYSA-N 0 3 363.299 3.326 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001033432452 766214880 /nfs/dbraw/zinc/21/48/80/766214880.db2.gz OJCYRPFPEZTJSW-OTWHNJEPSA-N 0 3 362.901 3.006 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001040706599 766318702 /nfs/dbraw/zinc/31/87/02/766318702.db2.gz XYEQPJBDUZAFIQ-YHKAFVHASA-N 0 3 352.906 3.035 20 30 FGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001041735955 766340793 /nfs/dbraw/zinc/34/07/93/766340793.db2.gz KYPAWKVHFVFAFE-ZVDOUQERSA-N 0 3 356.897 3.391 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccsc1 ZINC001049778475 766810429 /nfs/dbraw/zinc/81/04/29/766810429.db2.gz OLBRGPCOYZUQHA-OKYOBFRVSA-N 0 3 360.523 3.295 20 30 FGEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328648448 533268481 /nfs/dbraw/zinc/26/84/81/533268481.db2.gz UOJCFVCOBCUZNR-RXVVDRJESA-N 0 3 350.466 3.087 20 30 FGEDHN Cc1cccc(Oc2ccccc2CNC[C@H](O)CN(C)CCC#N)c1 ZINC000576816240 505601340 /nfs/dbraw/zinc/60/13/40/505601340.db2.gz STXSUIFJTRQDNV-IBGZPJMESA-N 0 3 353.466 3.083 20 30 FGEDHN COC(=O)c1cccc(CNC2(Cc3ccccc3)CCOCC2)c1C#N ZINC000571136142 505661760 /nfs/dbraw/zinc/66/17/60/505661760.db2.gz LZVXPDWKANCALB-UHFFFAOYSA-N 0 3 364.445 3.226 20 30 FGEDHN CC[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1C ZINC000574032702 505677581 /nfs/dbraw/zinc/67/75/81/505677581.db2.gz PYFBSRKUWYYQFK-GOSISDBHSA-N 0 3 372.490 3.088 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027952639 493768559 /nfs/dbraw/zinc/76/85/59/493768559.db2.gz QNJSJSJJTBQBAX-QZTJIDSGSA-N 0 3 357.498 3.150 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc(OCC#N)c1 ZINC000048515779 493834633 /nfs/dbraw/zinc/83/46/33/493834633.db2.gz PYNPCNOHOQUJOA-UHFFFAOYSA-N 0 3 352.438 3.185 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076201383 493843113 /nfs/dbraw/zinc/84/31/13/493843113.db2.gz SRMVBLIORPFYIL-INIZCTEOSA-N 0 3 367.449 3.334 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)[N-]C(C)C)c1 ZINC000069047735 493912436 /nfs/dbraw/zinc/91/24/36/493912436.db2.gz RZNKBQOLSTVDLA-UHFFFAOYSA-O 0 3 355.483 3.250 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000069255901 493943222 /nfs/dbraw/zinc/94/32/22/493943222.db2.gz QKLIFYRNVUTOQU-IAGOWNOFSA-N 0 3 370.497 3.106 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCO1 ZINC000076745107 493963821 /nfs/dbraw/zinc/96/38/21/493963821.db2.gz QWMGWRZBXPIRQF-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)nc(C)n1 ZINC000076822391 493975050 /nfs/dbraw/zinc/97/50/50/493975050.db2.gz UATUJEKFMFAVKM-KRWDZBQOSA-N 0 3 364.449 3.359 20 30 FGEDHN CC(=O)c1cccc(OC[C@@H](O)CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000069520460 493978777 /nfs/dbraw/zinc/97/87/77/493978777.db2.gz AWZKHDIZCRWURV-NRFANRHFSA-N 0 3 366.461 3.411 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNc1cc(C(F)(F)F)nc2ncnn21)C(C)C ZINC000051739028 493984158 /nfs/dbraw/zinc/98/41/58/493984158.db2.gz HJUNWZBJDKLECP-ZDUSSCGKSA-N 0 3 368.407 3.254 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(OCC#N)c1 ZINC000062394406 494012193 /nfs/dbraw/zinc/01/21/93/494012193.db2.gz PVFKYUVKAFQTLS-UHFFFAOYSA-N 0 3 370.428 3.324 20 30 FGEDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000063560803 494064450 /nfs/dbraw/zinc/06/44/50/494064450.db2.gz AHECPJUEUVQGLU-IAGOWNOFSA-N 0 3 363.461 3.097 20 30 FGEDHN CC(C)CN1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000077362523 494067727 /nfs/dbraw/zinc/06/77/27/494067727.db2.gz FJZUZFXMJYOWHQ-UHFFFAOYSA-N 0 3 366.509 3.401 20 30 FGEDHN CSC[C@H](CCO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000077462315 494088760 /nfs/dbraw/zinc/08/87/60/494088760.db2.gz MFMQWBREVZVDTC-IBGZPJMESA-N 0 3 356.491 3.341 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000053098293 494093295 /nfs/dbraw/zinc/09/32/95/494093295.db2.gz YCRBJGBEGOAIDW-OAQYLSRUSA-N 0 3 360.461 3.216 20 30 FGEDHN C[C@H](Sc1ccccn1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000084971559 494110400 /nfs/dbraw/zinc/11/04/00/494110400.db2.gz WDVNIUHNEFJZET-INIZCTEOSA-N 0 3 368.506 3.024 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3cccc4c3OCCO4)CC2)cc1 ZINC000064431695 494123347 /nfs/dbraw/zinc/12/33/47/494123347.db2.gz WXHQKNVLIXWHHM-UHFFFAOYSA-N 0 3 363.461 3.037 20 30 FGEDHN CN(Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000053419967 494128933 /nfs/dbraw/zinc/12/89/33/494128933.db2.gz WQJBRWLUTAOSSD-HXUWFJFHSA-N 0 3 365.477 3.030 20 30 FGEDHN Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CC[NH+]2CCCC2)cc1 ZINC000077966404 494206960 /nfs/dbraw/zinc/20/69/60/494206960.db2.gz DZIFGUNEDNOZCJ-UHFFFAOYSA-N 0 3 369.490 3.306 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)C ZINC000043990224 494332885 /nfs/dbraw/zinc/33/28/85/494332885.db2.gz GSNIBFXWTVMMPO-IBGZPJMESA-N 0 3 372.513 3.209 20 30 FGEDHN Cc1[nH]c2ccccc2c1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000044566353 494366043 /nfs/dbraw/zinc/36/60/43/494366043.db2.gz QAWPVJIAHZNLRL-UHFFFAOYSA-N 0 3 374.488 3.481 20 30 FGEDHN CC[NH+](CC)[C@H](C/N=C/c1c([O-])c(C)ncc1CO)c1cccc(OC)c1 ZINC000017701208 494416169 /nfs/dbraw/zinc/41/61/69/494416169.db2.gz RWXDIKLJHBHSCA-XLKWYTADSA-N 0 3 371.481 3.099 20 30 FGEDHN C[C@H]1CCCCN1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045432348 494428621 /nfs/dbraw/zinc/42/86/21/494428621.db2.gz VJMHBZHDVGWJMH-HNNXBMFYSA-N 0 3 367.415 3.231 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)CC1 ZINC000074132521 494485729 /nfs/dbraw/zinc/48/57/29/494485729.db2.gz RGHCSVLWLOYZCE-INIZCTEOSA-N 0 3 365.481 3.154 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(-c3cccnc3)cc2)CC1 ZINC000074132387 494485988 /nfs/dbraw/zinc/48/59/88/494485988.db2.gz QRXVJIADWSUCRM-UHFFFAOYSA-N 0 3 350.466 3.198 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000021404662 494495162 /nfs/dbraw/zinc/49/51/62/494495162.db2.gz KERMYMJZPVUMRT-UHFFFAOYSA-N 0 3 350.422 3.174 20 30 FGEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1Oc1ccccc1 ZINC000571396638 505724129 /nfs/dbraw/zinc/72/41/29/505724129.db2.gz JAVQEMTUGSMOQC-MSOLQXFVSA-N 0 3 353.466 3.336 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000074215853 494499250 /nfs/dbraw/zinc/49/92/50/494499250.db2.gz YAYFLENXZVFJRJ-KRWDZBQOSA-N 0 3 362.477 3.191 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000046708296 494554596 /nfs/dbraw/zinc/55/45/96/494554596.db2.gz SBYPOISDCCKKKN-IBGZPJMESA-N 0 3 351.450 3.136 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000056743585 494554910 /nfs/dbraw/zinc/55/49/10/494554910.db2.gz DDHJHAAIOQDNFS-SFHVURJKSA-N 0 3 366.465 3.251 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000080070505 494584718 /nfs/dbraw/zinc/58/47/18/494584718.db2.gz GTPKLPQZUZYDPW-UWJYYQICSA-N 0 3 362.477 3.411 20 30 FGEDHN Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000568592457 505730561 /nfs/dbraw/zinc/73/05/61/505730561.db2.gz YUXHSCWNDCSIOM-YWMUFLPLSA-N 0 3 363.465 3.127 20 30 FGEDHN CCc1ccccc1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011414 494616458 /nfs/dbraw/zinc/61/64/58/494616458.db2.gz RPOZFWFMALHFLA-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000126085534 494631932 /nfs/dbraw/zinc/63/19/32/494631932.db2.gz ACFDCGURPUZOEZ-MAUKXSAKSA-N 0 3 351.454 3.193 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262264 494667752 /nfs/dbraw/zinc/66/77/52/494667752.db2.gz MRKXRWJFMZZJMR-INIZCTEOSA-N 0 3 354.841 3.457 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262265 494667824 /nfs/dbraw/zinc/66/78/24/494667824.db2.gz MRKXRWJFMZZJMR-MRXNPFEDSA-N 0 3 354.841 3.457 20 30 FGEDHN N#CCCn1cc(CN2CCC(n3ccnc3)CC2)c(-c2ccccc2)n1 ZINC000092648418 494693844 /nfs/dbraw/zinc/69/38/44/494693844.db2.gz JGBVAXYOCQJGTM-UHFFFAOYSA-N 0 3 360.465 3.497 20 30 FGEDHN CCOc1ccc([C@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000126386033 494732834 /nfs/dbraw/zinc/73/28/34/494732834.db2.gz XOAXJPASYGWOHG-LPHOPBHVSA-N 0 3 354.450 3.242 20 30 FGEDHN COC(=O)[C@@H](C)CN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000091986801 494745523 /nfs/dbraw/zinc/74/55/23/494745523.db2.gz WWQQUDCXGCQSDA-INIZCTEOSA-N 0 3 352.434 3.378 20 30 FGEDHN C[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000092035060 494762455 /nfs/dbraw/zinc/76/24/55/494762455.db2.gz MLVXPYSBICKBAC-KIBZJKDMSA-N 0 3 370.497 3.021 20 30 FGEDHN N#CCSCCCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000080722651 494778496 /nfs/dbraw/zinc/77/84/96/494778496.db2.gz IWHBXZWLYKXLCK-UHFFFAOYSA-N 0 3 350.463 3.058 20 30 FGEDHN N#Cc1ccc2nc(N3CC[C@@H](OCCN4CCCCC4)C3)ccc2c1 ZINC000092923551 494787437 /nfs/dbraw/zinc/78/74/37/494787437.db2.gz RNKCGLCNJPSIPU-LJQANCHMSA-N 0 3 350.466 3.188 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)CCc1ccc(C#N)cc1 ZINC000126564604 494790182 /nfs/dbraw/zinc/79/01/82/494790182.db2.gz NRWQZCJHKNOYIK-UHFFFAOYSA-N 0 3 362.477 3.261 20 30 FGEDHN COc1ccc(F)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000092102827 494791412 /nfs/dbraw/zinc/79/14/12/494791412.db2.gz XAXJJCJFEDBLKM-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000047909158 494792407 /nfs/dbraw/zinc/79/24/07/494792407.db2.gz OOQYVDJBKSQXMY-MRXNPFEDSA-N 0 3 372.513 3.215 20 30 FGEDHN CC(C)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000075635374 494806509 /nfs/dbraw/zinc/80/65/09/494806509.db2.gz QNBQYXVTANINDK-OAHLLOKOSA-N 0 3 374.554 3.099 20 30 FGEDHN CN(C)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)cc1 ZINC000109116904 494834424 /nfs/dbraw/zinc/83/44/24/494834424.db2.gz KZWAUGOAHHONAL-FQEVSTJZSA-N 0 3 362.477 3.019 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](Cc1ccccc1)c1cccs1 ZINC000116908439 494869369 /nfs/dbraw/zinc/86/93/69/494869369.db2.gz AFMLKHDFUCDENE-GOEBONIOSA-N 0 3 357.479 3.022 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1 ZINC000093741717 494916025 /nfs/dbraw/zinc/91/60/25/494916025.db2.gz PJRFJFRFRYVIEQ-UHFFFAOYSA-N 0 3 354.498 3.013 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CN(C)C(=O)OC)cc2)CC1 ZINC000117463128 494923406 /nfs/dbraw/zinc/92/34/06/494923406.db2.gz PUOSJHWKPKOGJG-UHFFFAOYSA-N 0 3 374.485 3.047 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCOC2(CCCC2)C1)C(C)C ZINC000133053395 494961542 /nfs/dbraw/zinc/96/15/42/494961542.db2.gz PGKKDAPPHPYYRY-MOPGFXCFSA-N 0 3 363.546 3.476 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000133465853 495017466 /nfs/dbraw/zinc/01/74/66/495017466.db2.gz JANGDVCPILCGPP-RTWAWAEBSA-N 0 3 365.477 3.069 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2ccnn2)cc1)c1nc(-c2ccncc2)cs1 ZINC000127966829 495024745 /nfs/dbraw/zinc/02/47/45/495024745.db2.gz YLLKXASOYVPLMK-INIZCTEOSA-N 0 3 372.413 3.276 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)NCC1(c2ccccc2C)CCOCC1 ZINC000098123393 495059930 /nfs/dbraw/zinc/05/99/30/495059930.db2.gz NUYKPBJZJPRCCX-IBGZPJMESA-N 0 3 356.510 3.222 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)CCN1C ZINC000123248134 495102623 /nfs/dbraw/zinc/10/26/23/495102623.db2.gz RQCOTPVDFYSJHW-CRAIPNDOSA-N 0 3 367.449 3.285 20 30 FGEDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2sccc2C#N)c1 ZINC000102695884 495154705 /nfs/dbraw/zinc/15/47/05/495154705.db2.gz RCKSTRNBLDNXQI-LBPRGKRZSA-N 0 3 359.451 3.316 20 30 FGEDHN Cc1noc(C2CC2)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000129095765 495195395 /nfs/dbraw/zinc/19/53/95/495195395.db2.gz OCTBMRQVJHIOMA-UHFFFAOYSA-N 0 3 367.453 3.328 20 30 FGEDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000119674066 495215263 /nfs/dbraw/zinc/21/52/63/495215263.db2.gz ZHQNDERIRUYWMI-MAUKXSAKSA-N 0 3 370.449 3.056 20 30 FGEDHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000119692687 495220092 /nfs/dbraw/zinc/22/00/92/495220092.db2.gz QVZIBXKNRZVBPF-YOEHRIQHSA-N 0 3 361.461 3.397 20 30 FGEDHN CC(C)Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cnc21 ZINC000119754735 495234068 /nfs/dbraw/zinc/23/40/68/495234068.db2.gz HDKYGQFKPYRGCL-OAHLLOKOSA-N 0 3 358.405 3.454 20 30 FGEDHN COc1ccc(CN2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000135130888 495254099 /nfs/dbraw/zinc/25/40/99/495254099.db2.gz CFOFMDUETHYTPI-HDICACEKSA-N 0 3 371.525 3.278 20 30 FGEDHN Cc1nsc(N2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135260140 495269478 /nfs/dbraw/zinc/26/94/78/495269478.db2.gz WYFCNXZWECGDND-UHFFFAOYSA-N 0 3 355.511 3.360 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)Cc2cccc(C#N)c2)N(C)C)cc1 ZINC000574429811 505771468 /nfs/dbraw/zinc/77/14/68/505771468.db2.gz AQZOIDPCZUXEHF-IBGZPJMESA-N 0 3 353.491 3.242 20 30 FGEDHN N#CCCn1cc(CNC[C@H](O)c2ccccc2F)c(-c2ccccc2)n1 ZINC000113326108 495296266 /nfs/dbraw/zinc/29/62/66/495296266.db2.gz PQODEKMCMFAYQE-FQEVSTJZSA-N 0 3 364.424 3.426 20 30 FGEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000113351299 495298932 /nfs/dbraw/zinc/29/89/32/495298932.db2.gz TVRFVLQRZGWALQ-HNNXBMFYSA-N 0 3 351.454 3.378 20 30 FGEDHN C=C[C@@H](CC(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1)c1ccccc1 ZINC000124619695 495317695 /nfs/dbraw/zinc/31/76/95/495317695.db2.gz RQZQSBSJGNDPJO-PXNSSMCTSA-N 0 3 368.477 3.286 20 30 FGEDHN CN(C)CCOc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000136340005 495373572 /nfs/dbraw/zinc/37/35/72/495373572.db2.gz ZUDOXLRTFNWWNO-UHFFFAOYSA-N 0 3 352.438 3.075 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000106034174 495405228 /nfs/dbraw/zinc/40/52/28/495405228.db2.gz WIPSCUFFNSHKIL-UHFFFAOYSA-N 0 3 359.417 3.464 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000106036038 495405964 /nfs/dbraw/zinc/40/59/64/495405964.db2.gz YESVCGVFOBDIPF-UHFFFAOYSA-N 0 3 365.477 3.431 20 30 FGEDHN C=CCc1cc(C(=O)NC2CCN(CC(=C)C)CC2)cc(OC)c1OC ZINC000106038024 495406292 /nfs/dbraw/zinc/40/62/92/495406292.db2.gz LCAXSTPWQZDXBK-UHFFFAOYSA-N 0 3 358.482 3.203 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(Cl)c3cccnc23)CC1 ZINC000106036024 495406345 /nfs/dbraw/zinc/40/63/45/495406345.db2.gz LKLVAFYICZHWGH-UHFFFAOYSA-N 0 3 373.884 3.424 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](Nc2ccccc2)C(C)C)CC1 ZINC000106275113 495441613 /nfs/dbraw/zinc/44/16/13/495441613.db2.gz LUYZWBBFHNWILG-HXUWFJFHSA-N 0 3 358.530 3.463 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000106321526 495444277 /nfs/dbraw/zinc/44/42/77/495444277.db2.gz BMIMZTQDYGFRJC-FQEVSTJZSA-N 0 3 373.497 3.406 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000120807697 495462349 /nfs/dbraw/zinc/46/23/49/495462349.db2.gz PVVPFZVFZYQZIQ-JLLINPMKSA-N 0 3 358.482 3.072 20 30 FGEDHN CC(=O)Oc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000125567057 495463889 /nfs/dbraw/zinc/46/38/89/495463889.db2.gz HABUJRGIIRCLDE-UHFFFAOYSA-N 0 3 363.461 3.191 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](N3CCCC3)C2)c1 ZINC000170742497 495586309 /nfs/dbraw/zinc/58/63/09/495586309.db2.gz DZRYUVAJELILDQ-PMACEKPBSA-N 0 3 368.525 3.109 20 30 FGEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1CC1CCC(C(F)(F)F)CC1 ZINC000185521462 495608996 /nfs/dbraw/zinc/60/89/96/495608996.db2.gz JOLZTPVXLPUIFE-WLYUNCDWSA-N 0 3 367.419 3.227 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182554429 495611713 /nfs/dbraw/zinc/61/17/13/495611713.db2.gz AODXIFIGBXAAHM-AWEZNQCLSA-N 0 3 353.422 3.255 20 30 FGEDHN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1cc(C(F)(F)F)ccn1 ZINC000571703152 505794096 /nfs/dbraw/zinc/79/40/96/505794096.db2.gz OFNXFLDNKDKTFQ-CYBMUJFWSA-N 0 3 374.322 3.334 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000176595711 495713078 /nfs/dbraw/zinc/71/30/78/495713078.db2.gz CRQWBASWPKGIQD-BEFAXECRSA-N 0 3 366.440 3.160 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCN(C4CCCCC4)CC3)C2=O)cc1 ZINC000182851217 495727677 /nfs/dbraw/zinc/72/76/77/495727677.db2.gz MACKKXWFYDEKJA-NRFANRHFSA-N 0 3 366.509 3.004 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccnc(Cl)c1 ZINC000151090396 495734368 /nfs/dbraw/zinc/73/43/68/495734368.db2.gz RJRFYBIAEMCAFU-BQYQJAHWSA-N 0 3 368.868 3.210 20 30 FGEDHN N#CC(C(=O)c1ccnc(OCC(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000173903655 495740535 /nfs/dbraw/zinc/74/05/35/495740535.db2.gz RMAGJVALHMOWMO-NSHDSACASA-N 0 3 360.295 3.389 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000179807268 495741003 /nfs/dbraw/zinc/74/10/03/495741003.db2.gz RYCSFOMFBUPDMO-ZDUSSCGKSA-N 0 3 351.288 3.319 20 30 FGEDHN COc1ccccc1C[C@H](NCC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000185875469 495760777 /nfs/dbraw/zinc/76/07/77/495760777.db2.gz XAONRZIULIEGJS-SFHVURJKSA-N 0 3 357.498 3.195 20 30 FGEDHN CN(CCC#N)C(=O)CCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000180000959 495817272 /nfs/dbraw/zinc/81/72/72/495817272.db2.gz WKSLXTKVSMGGGT-UHFFFAOYSA-N 0 3 353.388 3.436 20 30 FGEDHN CC[C@@H]1Oc2cc([C@H](C)NC[C@H](O)c3ccc(C#N)cc3)ccc2NC1=O ZINC000180033684 495831395 /nfs/dbraw/zinc/83/13/95/495831395.db2.gz MFFNPDDSGRXDBF-AGRHKRQWSA-N 0 3 365.433 3.052 20 30 FGEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCN(C)C ZINC000176966734 495861682 /nfs/dbraw/zinc/86/16/82/495861682.db2.gz CPVIKJVTAZLIMA-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN Cn1cc(CNCc2ccccc2-n2ccnc2)c(-c2ccc(C#N)cc2)n1 ZINC000180122355 495867485 /nfs/dbraw/zinc/86/74/85/495867485.db2.gz QAZAGLNXJDBCSI-UHFFFAOYSA-N 0 3 368.444 3.434 20 30 FGEDHN N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000171455152 495880939 /nfs/dbraw/zinc/88/09/39/495880939.db2.gz ZLWJNOTZIHJPRF-GOSISDBHSA-N 0 3 365.433 3.041 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CNc2ccc(OC3CCN(C)CC3)nc2)cc1 ZINC000160118739 495888112 /nfs/dbraw/zinc/88/81/12/495888112.db2.gz VVUVDPQGOTXYRV-INIZCTEOSA-N 0 3 366.465 3.458 20 30 FGEDHN Cc1ncc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)n1 ZINC000160152725 495897834 /nfs/dbraw/zinc/89/78/34/495897834.db2.gz DTQDCUHPPFVLDB-YOEHRIQHSA-N 0 3 353.445 3.424 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000183284046 495914342 /nfs/dbraw/zinc/91/43/42/495914342.db2.gz FSVGNMAKNLNMJX-UHFFFAOYSA-N 0 3 350.422 3.487 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151707938 495924422 /nfs/dbraw/zinc/92/44/22/495924422.db2.gz QNIZKIUPEMOQDX-WMZOPIPTSA-N 0 3 353.422 3.068 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151707855 495925098 /nfs/dbraw/zinc/92/50/98/495925098.db2.gz QNIZKIUPEMOQDX-AEFFLSMTSA-N 0 3 353.422 3.068 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OCCC(C)C)CC2)CC1 ZINC000171560780 495928520 /nfs/dbraw/zinc/92/85/20/495928520.db2.gz OOIXXOOZKPXDFJ-UHFFFAOYSA-N 0 3 351.535 3.264 20 30 FGEDHN Cn1cc(CNCCOc2ncccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000180295592 495939876 /nfs/dbraw/zinc/93/98/76/495939876.db2.gz LARZPCHPILXCFL-UHFFFAOYSA-N 0 3 367.840 3.176 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000155388139 495942396 /nfs/dbraw/zinc/94/23/96/495942396.db2.gz NSZDESMOBHZCCG-UHFFFAOYSA-N 0 3 374.488 3.407 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3cc[nH]n3)C2)cc1Cl ZINC000171630626 495956147 /nfs/dbraw/zinc/95/61/47/495956147.db2.gz GTVMXQDISYUPHS-AWEZNQCLSA-N 0 3 357.845 3.143 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000171696009 495992684 /nfs/dbraw/zinc/99/26/84/495992684.db2.gz HJLCDOZNRVZKBQ-UHFFFAOYSA-N 0 3 356.297 3.486 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-][C@H]2CCCC[C@H]2C)cc1 ZINC000151927948 495995341 /nfs/dbraw/zinc/99/53/41/495995341.db2.gz QUDWOSVWVLMYPJ-WBVHZDCISA-O 0 3 371.530 3.123 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 ZINC000174535029 495999247 /nfs/dbraw/zinc/99/92/47/495999247.db2.gz GAAKKTIBWKNBBJ-UHFFFAOYSA-N 0 3 372.469 3.114 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000171719771 496005604 /nfs/dbraw/zinc/00/56/04/496005604.db2.gz GEEAEFYHGVFFGC-UHFFFAOYSA-N 0 3 363.299 3.247 20 30 FGEDHN C=CCN1CCC(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 ZINC000171721190 496006872 /nfs/dbraw/zinc/00/68/72/496006872.db2.gz BXAKQVKVSRIIKT-UHFFFAOYSA-N 0 3 373.478 3.282 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000171726213 496009941 /nfs/dbraw/zinc/00/99/41/496009941.db2.gz QQIBTAQSUGIVBZ-UHFFFAOYSA-N 0 3 356.297 3.486 20 30 FGEDHN CC(C)[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc2c(c1)OCCO2 ZINC000574625244 505818029 /nfs/dbraw/zinc/81/80/29/505818029.db2.gz ZPOYEBYVEHRBOG-NRFANRHFSA-N 0 3 362.433 3.464 20 30 FGEDHN COc1ccccc1NC(=O)C[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000180557130 496042965 /nfs/dbraw/zinc/04/29/65/496042965.db2.gz IWQGZUFVBVRMJW-HNNXBMFYSA-N 0 3 353.422 3.104 20 30 FGEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2CS(C)(=O)=O)cc1 ZINC000160936825 496071287 /nfs/dbraw/zinc/07/12/87/496071287.db2.gz CYYHMJZZFHEDMJ-MRXNPFEDSA-N 0 3 357.475 3.094 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000183683295 496076616 /nfs/dbraw/zinc/07/66/16/496076616.db2.gz YGWWQQIHVWLGRL-OAHLLOKOSA-N 0 3 359.433 3.342 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183686220 496079300 /nfs/dbraw/zinc/07/93/00/496079300.db2.gz FFZNQQYZOFWCAC-SJORKVTESA-N 0 3 352.482 3.420 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)CC1 ZINC000186688045 496107628 /nfs/dbraw/zinc/10/76/28/496107628.db2.gz DJRHRMIOVIQOKR-UHFFFAOYSA-N 0 3 364.445 3.003 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CC2CCOCC2)c1C#N ZINC000156027819 496137415 /nfs/dbraw/zinc/13/74/15/496137415.db2.gz GLIQTPXEAAZSKS-UHFFFAOYSA-N 0 3 372.513 3.389 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000184010145 496200110 /nfs/dbraw/zinc/20/01/10/496200110.db2.gz AHZMFMJPBTXBSE-DLBZAZTESA-N 0 3 365.477 3.197 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCSC[C@@H]2c2ccc(C)cc2)CC1 ZINC000172185588 496200265 /nfs/dbraw/zinc/20/02/65/496200265.db2.gz DBCGOHCAQYIWFI-LJQANCHMSA-N 0 3 359.539 3.445 20 30 FGEDHN COc1ccc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 ZINC000161753213 496232664 /nfs/dbraw/zinc/23/26/64/496232664.db2.gz KPDUXHSQWKTMHJ-HNNXBMFYSA-N 0 3 366.465 3.290 20 30 FGEDHN C=C(C)CN(C)Cc1cc(I)c(OC)c(OC)c1 ZINC000181044172 496251715 /nfs/dbraw/zinc/25/17/15/496251715.db2.gz MMOMDUACNBNRCB-UHFFFAOYSA-N 0 3 361.223 3.316 20 30 FGEDHN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000156519882 496267446 /nfs/dbraw/zinc/26/74/46/496267446.db2.gz BHQHFJFXZVGBPM-UHFFFAOYSA-N 0 3 369.918 3.002 20 30 FGEDHN C=CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000577988481 505834972 /nfs/dbraw/zinc/83/49/72/505834972.db2.gz SIYUVJPXMGLBDO-IBGZPJMESA-N 0 3 363.465 3.435 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000181205842 496312066 /nfs/dbraw/zinc/31/20/66/496312066.db2.gz ZINBXLDREALYHB-VQIMIIECSA-N 0 3 367.449 3.464 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000184275968 496315350 /nfs/dbraw/zinc/31/53/50/496315350.db2.gz PFFNMPOSHZZKLA-UHFFFAOYSA-N 0 3 374.529 3.179 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000153027327 496330725 /nfs/dbraw/zinc/33/07/25/496330725.db2.gz ZVLYQSNMVQGEPU-HXUWFJFHSA-N 0 3 371.444 3.454 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3ccccc3OC(F)(F)F)n2c1 ZINC000153153464 496368271 /nfs/dbraw/zinc/36/82/71/496368271.db2.gz CVCOLDZRRJBWTA-UHFFFAOYSA-N 0 3 360.339 3.437 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000578023396 505843638 /nfs/dbraw/zinc/84/36/38/505843638.db2.gz WGFCVHLZRXUFMY-SLFFLAALSA-N 0 3 368.525 3.107 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](C)[C@@H]2CCOC2)c1C#N ZINC000162924314 496433605 /nfs/dbraw/zinc/43/36/05/496433605.db2.gz YRZOBZGDWZGBEQ-NVXWUHKLSA-N 0 3 372.513 3.435 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000178554611 496497291 /nfs/dbraw/zinc/49/72/91/496497291.db2.gz LENFBQOWBLUWRG-UHFFFAOYSA-N 0 3 361.449 3.334 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1O2 ZINC000175724679 496516646 /nfs/dbraw/zinc/51/66/46/496516646.db2.gz KZHQQSNLVHTJOM-INIZCTEOSA-N 0 3 367.474 3.338 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000164180025 496591815 /nfs/dbraw/zinc/59/18/15/496591815.db2.gz ZYPCORFCLMTYIG-UHFFFAOYSA-N 0 3 362.477 3.041 20 30 FGEDHN CC#CCCCC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000185073371 496648080 /nfs/dbraw/zinc/64/80/80/496648080.db2.gz PANWYJBSHNTQNN-UHFFFAOYSA-N 0 3 355.526 3.207 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2CN)cc1 ZINC000580891502 505862548 /nfs/dbraw/zinc/86/25/48/505862548.db2.gz NXFLOEPFKMVHHP-HXUWFJFHSA-N 0 3 351.450 3.019 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000188325483 496753845 /nfs/dbraw/zinc/75/38/45/496753845.db2.gz VXICBZSNVWKKLB-OAQYLSRUSA-N 0 3 359.514 3.384 20 30 FGEDHN Cc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(O)c1C ZINC000277382332 496754764 /nfs/dbraw/zinc/75/47/64/496754764.db2.gz XTJBVGGEJWXVSF-OXJNMPFZSA-N 0 3 363.461 3.332 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2CCOC[C@@H]2C)c1C#N ZINC000277490624 496790225 /nfs/dbraw/zinc/79/02/25/496790225.db2.gz OSKNPWHMRCAOKI-LIRRHRJNSA-N 0 3 372.513 3.435 20 30 FGEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000247201056 496804702 /nfs/dbraw/zinc/80/47/02/496804702.db2.gz BWEPGUFCDNZEPA-MAUKXSAKSA-N 0 3 367.449 3.142 20 30 FGEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273440761 496806944 /nfs/dbraw/zinc/80/69/44/496806944.db2.gz NEBNCHCEVXNVQC-RBUKOAKNSA-N 0 3 373.472 3.320 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COCc3cccs3)CC2)cc1 ZINC000264117309 496815609 /nfs/dbraw/zinc/81/56/09/496815609.db2.gz KGKLIXCTWAMZJL-KRWDZBQOSA-N 0 3 372.490 3.041 20 30 FGEDHN CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1cccc(C(F)(F)F)c1 ZINC000191612332 496831742 /nfs/dbraw/zinc/83/17/42/496831742.db2.gz DARRPGCSUFCKSL-KRWDZBQOSA-N 0 3 350.388 3.308 20 30 FGEDHN C=CCC[C@H](NC(=O)NCCCCN1CCN(CC)CC1)c1ccccc1 ZINC000269335563 496921984 /nfs/dbraw/zinc/92/19/84/496921984.db2.gz DONBDEVAGMHUNP-NRFANRHFSA-N 0 3 372.557 3.411 20 30 FGEDHN CN1CC[C@@]2(CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000569209347 505878787 /nfs/dbraw/zinc/87/87/87/505878787.db2.gz UIYRJJSSFQGPNN-HSZRJFAPSA-N 0 3 374.488 3.462 20 30 FGEDHN Cc1ccc2cc(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2n1 ZINC000192245167 497047778 /nfs/dbraw/zinc/04/77/78/497047778.db2.gz HEUYXBIBJPWEGO-JOCHJYFZSA-N 0 3 370.456 3.306 20 30 FGEDHN C[C@H](Cc1ccc(O)cc1)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248769826 497101076 /nfs/dbraw/zinc/10/10/76/497101076.db2.gz SIOBZURXXCVLNY-IERDGZPVSA-N 0 3 363.461 3.322 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]3CN3CCCCC3)C2=O)cc1 ZINC000192567911 497152186 /nfs/dbraw/zinc/15/21/86/497152186.db2.gz JXYIYLKUSPMAKP-RTWAWAEBSA-N 0 3 366.509 3.004 20 30 FGEDHN CCCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)[N-]C2CC2)cc1 ZINC000274792698 497167669 /nfs/dbraw/zinc/16/76/69/497167669.db2.gz NCTCEJWHUDHKMN-UHFFFAOYSA-O 0 3 358.487 3.222 20 30 FGEDHN CSc1ccccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000192710676 497191138 /nfs/dbraw/zinc/19/11/38/497191138.db2.gz DPBOCOSGWIRDDD-UHFFFAOYSA-N 0 3 353.491 3.484 20 30 FGEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249457905 497205543 /nfs/dbraw/zinc/20/55/43/497205543.db2.gz DUVYMVOUTOTPQV-ZWCUEREDSA-N 0 3 361.493 3.369 20 30 FGEDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000192759360 497206800 /nfs/dbraw/zinc/20/68/00/497206800.db2.gz FGJVKJSOBFKQJV-BJLQDIEVSA-N 0 3 369.509 3.475 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000278773561 497216265 /nfs/dbraw/zinc/21/62/65/497216265.db2.gz YVYNEAPJYSBALU-CXAGYDPISA-N 0 3 361.467 3.169 20 30 FGEDHN CC(C)(C)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1O ZINC000278833650 497237268 /nfs/dbraw/zinc/23/72/68/497237268.db2.gz ACSXWRVNYVBDOS-OALUTQOASA-N 0 3 367.497 3.088 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1OC ZINC000271021942 497247922 /nfs/dbraw/zinc/24/79/22/497247922.db2.gz OANCFRVWEDHKSC-VMSUTVGLSA-N 0 3 372.509 3.462 20 30 FGEDHN N#CC(CCN1CCC(NC(N)=O)CC1)(c1ccccc1)c1ccccc1 ZINC000193063406 497291942 /nfs/dbraw/zinc/29/19/42/497291942.db2.gz FHERZBWGURSWAA-UHFFFAOYSA-N 0 3 362.477 3.019 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](CO)C(C)(C)C)c1C#N ZINC000193101494 497303066 /nfs/dbraw/zinc/30/30/66/497303066.db2.gz GQHXVGOHRNCFPF-GOSISDBHSA-N 0 3 374.529 3.417 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1OC ZINC000275463071 497334253 /nfs/dbraw/zinc/33/42/53/497334253.db2.gz HHYKLTORSWSAII-LPHOPBHVSA-N 0 3 357.454 3.003 20 30 FGEDHN C#CCOc1ccccc1CN[C@H](C)c1cccc(N2CCOCC2)c1 ZINC000271460540 497354298 /nfs/dbraw/zinc/35/42/98/497354298.db2.gz JVZZMSLZIPPJKD-GOSISDBHSA-N 0 3 350.462 3.386 20 30 FGEDHN C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCC[C@@H](C)C1 ZINC000245405138 497389634 /nfs/dbraw/zinc/38/96/34/497389634.db2.gz RTUAJZGHUCREBZ-IAGOWNOFSA-N 0 3 354.498 3.353 20 30 FGEDHN C=CCN(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000271624471 497402014 /nfs/dbraw/zinc/40/20/14/497402014.db2.gz YXNCZRKQZFVURP-UHFFFAOYSA-N 0 3 371.525 3.418 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2nc3c(cccc3C)o2)CC1 ZINC000266832981 497427640 /nfs/dbraw/zinc/42/76/40/497427640.db2.gz ZFNQWPUYOMQVLS-UHFFFAOYSA-N 0 3 356.470 3.018 20 30 FGEDHN C=CCc1cc(C(=O)Nc2ccc3c(c2F)CCNC3)cc(OC)c1OC ZINC000261801474 497452931 /nfs/dbraw/zinc/45/29/31/497452931.db2.gz VTZANJUCHYYBMY-UHFFFAOYSA-N 0 3 370.424 3.469 20 30 FGEDHN C[C@@H](CCc1cccc(F)c1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190604647 497541850 /nfs/dbraw/zinc/54/18/50/497541850.db2.gz YQBBHQLJHQUCDY-KKSFZXQISA-N 0 3 365.452 3.409 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCCc4cc(F)ccc43)C2=O)cc1 ZINC000190625097 497550844 /nfs/dbraw/zinc/55/08/44/497550844.db2.gz DKIBYXMKJUIKKF-LEWJYISDSA-N 0 3 363.436 3.465 20 30 FGEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000279816690 497551978 /nfs/dbraw/zinc/55/19/78/497551978.db2.gz XXLAETAZNGMRHK-NRFANRHFSA-N 0 3 372.472 3.021 20 30 FGEDHN CCc1nnc(C2CCN(Cc3ccc(C#N)cc3Br)CC2)[nH]1 ZINC000190669000 497565770 /nfs/dbraw/zinc/56/57/70/497565770.db2.gz WGTNGDHTVMVZNO-UHFFFAOYSA-N 0 3 374.286 3.381 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CC(=O)N2C)C(C)C ZINC000194132524 497583218 /nfs/dbraw/zinc/58/32/18/497583218.db2.gz SYLFRTBPDGWDMS-IBGZPJMESA-N 0 3 370.497 3.026 20 30 FGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1OCC#N ZINC000279914942 497586901 /nfs/dbraw/zinc/58/69/01/497586901.db2.gz KAAUFLWBQOIBKX-ICSRJNTNSA-N 0 3 361.445 3.346 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CCC1 ZINC000190932466 497651074 /nfs/dbraw/zinc/65/10/74/497651074.db2.gz VZGNSFQHWHGPEU-KRWDZBQOSA-N 0 3 355.482 3.069 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1 ZINC000272527447 497651445 /nfs/dbraw/zinc/65/14/45/497651445.db2.gz ZEDHTFFGCXAIAX-ABAIWWIYSA-N 0 3 352.360 3.135 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1OC ZINC000272645354 497688299 /nfs/dbraw/zinc/68/82/99/497688299.db2.gz DCMOLFGUAWHEOI-DYLHUKMJSA-N 0 3 356.466 3.040 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN(Cc1ccccn1)C1CC1)CCC2 ZINC000299526871 497835874 /nfs/dbraw/zinc/83/58/74/497835874.db2.gz DJZJOWGXSSAMOD-UHFFFAOYSA-N 0 3 366.490 3.497 20 30 FGEDHN C[C@H](NC1(CNC(=O)[C@@H]2C[C@@]23CCOC3)CCOCC1)c1ccccc1 ZINC000329682301 497867052 /nfs/dbraw/zinc/86/70/52/497867052.db2.gz XHRGZBDIKDDGJI-XKGZKEIXSA-N 0 3 358.482 3.270 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)cnc2Br)CC1 ZINC000292137416 497895471 /nfs/dbraw/zinc/89/54/71/497895471.db2.gz VTWCZDZHBQUSJA-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000296033518 497897686 /nfs/dbraw/zinc/89/76/86/497897686.db2.gz MRAXLFNXLZKQNU-IRXDYDNUSA-N 0 3 374.554 3.435 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000329776249 497898118 /nfs/dbraw/zinc/89/81/18/497898118.db2.gz NWKVMKGUHQIIKZ-ZIFCJYIRSA-N 0 3 357.498 3.049 20 30 FGEDHN Cc1cc(N2CCC(N(C)Cc3cc(C#N)n(C)c3)CC2)nc(C(C)C)n1 ZINC000364327898 497902323 /nfs/dbraw/zinc/90/23/23/497902323.db2.gz BJSFCTYHRNYRQM-UHFFFAOYSA-N 0 3 366.513 3.219 20 30 FGEDHN C[C@@H]1CN(C2CCN(Cc3ccc(F)c(C#N)c3Cl)CC2)CCO1 ZINC000364333188 497905153 /nfs/dbraw/zinc/90/51/53/497905153.db2.gz SISJNVQFKBGCEO-CYBMUJFWSA-N 0 3 351.853 3.036 20 30 FGEDHN C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000329811493 497911111 /nfs/dbraw/zinc/91/11/11/497911111.db2.gz RJCWJLIIHXSMAY-ZQIUZPCESA-N 0 3 361.515 3.129 20 30 FGEDHN CN1CCN(CC2(C)CCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000364350863 497914289 /nfs/dbraw/zinc/91/42/89/497914289.db2.gz DTWJRQIZVSBIAY-UHFFFAOYSA-N 0 3 360.933 3.061 20 30 FGEDHN Cc1ccc(-n2cc(NC(=O)N3CC[C@H]4CCN(C)C[C@@H]43)cn2)c(C)c1 ZINC000329847914 497924938 /nfs/dbraw/zinc/92/49/38/497924938.db2.gz RGQCMBAZFOIUHF-APWZRJJASA-N 0 3 353.470 3.061 20 30 FGEDHN Cc1ccc(-n2cc(NC(=O)N3CC[C@@H]4CCN(C)C[C@H]43)cn2)c(C)c1 ZINC000329847920 497925169 /nfs/dbraw/zinc/92/51/69/497925169.db2.gz RGQCMBAZFOIUHF-QFBILLFUSA-N 0 3 353.470 3.061 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)[N-]C2CCC2)cc1 ZINC000292234798 497932902 /nfs/dbraw/zinc/93/29/02/497932902.db2.gz BKZDESRVCVMDIF-UHFFFAOYSA-O 0 3 358.487 3.222 20 30 FGEDHN COc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000581278003 505950226 /nfs/dbraw/zinc/95/02/26/505950226.db2.gz MGXLUBISPBLYQI-UHFFFAOYSA-N 0 3 353.466 3.139 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000329883332 497938301 /nfs/dbraw/zinc/93/83/01/497938301.db2.gz QXRKRPNXMHRGML-GEALJGNFSA-N 0 3 368.481 3.290 20 30 FGEDHN Cn1ncc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1Cc1ccccc1 ZINC000329886972 497940288 /nfs/dbraw/zinc/94/02/88/497940288.db2.gz WWCAJFVLBXOBOG-QGZVFWFLSA-N 0 3 352.482 3.332 20 30 FGEDHN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000329976330 497977305 /nfs/dbraw/zinc/97/73/05/497977305.db2.gz FIYKCMSFEKSFDJ-OMNBBPDLSA-N 0 3 366.481 3.033 20 30 FGEDHN C#CCOc1ccc(CN[C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000296272512 497980581 /nfs/dbraw/zinc/98/05/81/497980581.db2.gz DSNFFEKKOHHFIG-CQSZACIVSA-N 0 3 357.841 3.254 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000292367685 497989807 /nfs/dbraw/zinc/98/98/07/497989807.db2.gz RTJKCEDQZMRMFA-UHFFFAOYSA-N 0 3 360.458 3.170 20 30 FGEDHN Cc1csc(CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000281046922 497999723 /nfs/dbraw/zinc/99/97/23/497999723.db2.gz XPEUHLULWQBIFZ-KRWDZBQOSA-N 0 3 352.463 3.145 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN[C@H](c2cccnc2)C2CCCCC2)c1 ZINC000364562407 498024777 /nfs/dbraw/zinc/02/47/77/498024777.db2.gz GNFSIDWFPZOULF-QFIPXVFZSA-N 0 3 362.477 3.481 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(-c3ccccc3)on2)cc1 ZINC000578564190 505968602 /nfs/dbraw/zinc/96/86/02/505968602.db2.gz LDXHJJKQSGPJQO-GOSISDBHSA-N 0 3 356.385 3.212 20 30 FGEDHN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330156619 498043568 /nfs/dbraw/zinc/04/35/68/498043568.db2.gz YUTZNWFPXWHNNQ-GWNJHRMDSA-N 0 3 357.502 3.298 20 30 FGEDHN CC(C)[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000301337867 498062963 /nfs/dbraw/zinc/06/29/63/498062963.db2.gz DLNOSXCQXRAGAV-QGZVFWFLSA-N 0 3 354.420 3.261 20 30 FGEDHN CC[C@]1(CO)CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000330268284 498086868 /nfs/dbraw/zinc/08/68/68/498086868.db2.gz INXYUEVWUZRYMX-YADHBBJMSA-N 0 3 373.541 3.440 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)/C=C/c1ccccc1C#N ZINC000364709071 498104905 /nfs/dbraw/zinc/10/49/05/498104905.db2.gz UVFQMCGBABHWDH-DLKBPIKBSA-N 0 3 360.461 3.118 20 30 FGEDHN CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000330330666 498106557 /nfs/dbraw/zinc/10/65/57/498106557.db2.gz NLKLXSDODNDYAL-QWHCGFSZSA-N 0 3 358.408 3.295 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000330404509 498126459 /nfs/dbraw/zinc/12/64/59/498126459.db2.gz MYHURPPIKCYKEG-HNNXBMFYSA-N 0 3 360.502 3.415 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1C(F)F ZINC000330502531 498142998 /nfs/dbraw/zinc/14/29/98/498142998.db2.gz XEWWUKFQIADXNM-ZDUSSCGKSA-N 0 3 357.449 3.296 20 30 FGEDHN Cn1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)n1 ZINC000292876436 498179741 /nfs/dbraw/zinc/17/97/41/498179741.db2.gz XABFNKREFSGCIB-LJQANCHMSA-N 0 3 359.433 3.007 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000292938353 498202468 /nfs/dbraw/zinc/20/24/68/498202468.db2.gz HOZIICKSUAZOKK-QGZVFWFLSA-N 0 3 360.473 3.096 20 30 FGEDHN C[C@@H](C#N)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000575764201 505999290 /nfs/dbraw/zinc/99/92/90/505999290.db2.gz XUVBXMONMFJQHX-LBPRGKRZSA-N 0 3 350.850 3.094 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000581495858 506001864 /nfs/dbraw/zinc/00/18/64/506001864.db2.gz TXFUSGGXWZTMGS-UWVAXJGDSA-N 0 3 363.461 3.105 20 30 FGEDHN COc1ccc(Cl)cc1NC(=O)CCNCc1ccc(C#N)c(OC)c1 ZINC000281696723 498239292 /nfs/dbraw/zinc/23/92/92/498239292.db2.gz NMBXYGCTVJNNQK-UHFFFAOYSA-N 0 3 373.840 3.347 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000285981501 498258911 /nfs/dbraw/zinc/25/89/11/498258911.db2.gz NZQUBCHOVUBCMI-IBGZPJMESA-N 0 3 366.440 3.219 20 30 FGEDHN CCN1CCN([C@@H](C)CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000572597198 506007912 /nfs/dbraw/zinc/00/79/12/506007912.db2.gz BXYNJMVBJROREP-AWEZNQCLSA-N 0 3 357.889 3.198 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncoc2-c2ccccc2)cc1 ZINC000365105613 498298243 /nfs/dbraw/zinc/29/82/43/498298243.db2.gz ASEAYIHNUBZRQB-SFHVURJKSA-N 0 3 356.385 3.212 20 30 FGEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000281879063 498302703 /nfs/dbraw/zinc/30/27/03/498302703.db2.gz PEPJJUASYRMLPJ-HKUYNNGSSA-N 0 3 373.497 3.218 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281887939 498306588 /nfs/dbraw/zinc/30/65/88/498306588.db2.gz FOCKBXIHDBVOBF-JUHPOPGZSA-N 0 3 365.477 3.029 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281887944 498306600 /nfs/dbraw/zinc/30/66/00/498306600.db2.gz FOCKBXIHDBVOBF-MKCNHSFFSA-N 0 3 365.477 3.029 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CC[C@H](O)c3ccccc3)CC2)c1 ZINC000289878867 498334787 /nfs/dbraw/zinc/33/47/87/498334787.db2.gz MAVFWZHHLOPICV-NRFANRHFSA-N 0 3 363.461 3.332 20 30 FGEDHN C=CCC1(C(=O)NC[C@H](CN(C)C)c2ccc(Cl)cc2)CCOCC1 ZINC000578777690 506017867 /nfs/dbraw/zinc/01/78/67/506017867.db2.gz UCAVRPZOLARJPI-QGZVFWFLSA-N 0 3 364.917 3.474 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000365199043 498347709 /nfs/dbraw/zinc/34/77/09/498347709.db2.gz FOCXNAFGHVDFJY-VVFCZOMOSA-N 0 3 359.495 3.034 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000289919995 498352462 /nfs/dbraw/zinc/35/24/62/498352462.db2.gz VBSVVKPMGFLATC-LRDDRELGSA-N 0 3 361.467 3.025 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1CCc2ccccc2[C@@H]1CN ZINC000569847458 506030487 /nfs/dbraw/zinc/03/04/87/506030487.db2.gz ZDRDSLUPUQEXBL-IBGZPJMESA-N 0 3 367.518 3.461 20 30 FGEDHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000302183551 498432942 /nfs/dbraw/zinc/43/29/42/498432942.db2.gz GCHQKYCDHFPTTA-RDTXWAMCSA-N 0 3 351.410 3.184 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-c2cncnc2)cc1 ZINC000362288588 498489054 /nfs/dbraw/zinc/48/90/54/498489054.db2.gz XJCRZWVDLHLCCF-HRAATJIYSA-N 0 3 374.444 3.106 20 30 FGEDHN COc1ccc([C@H](CNc2nc(Cl)c(C#N)s2)N(C)C)cc1OC ZINC000286746675 498496612 /nfs/dbraw/zinc/49/66/12/498496612.db2.gz FJLGPSUZBDXQPV-NSHDSACASA-N 0 3 366.874 3.400 20 30 FGEDHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000286964526 498570765 /nfs/dbraw/zinc/57/07/65/498570765.db2.gz JJQVWKNUSSUNAA-LIRRHRJNSA-N 0 3 354.429 3.360 20 30 FGEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000365674436 498592188 /nfs/dbraw/zinc/59/21/88/498592188.db2.gz SCNPIVFWOOYTOQ-PMACEKPBSA-N 0 3 352.482 3.095 20 30 FGEDHN CN(C)CCn1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)n1 ZINC000302971403 498634670 /nfs/dbraw/zinc/63/46/70/498634670.db2.gz BHPZEIRFFYEMQU-UHFFFAOYSA-N 0 3 359.433 3.236 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000287133159 498642038 /nfs/dbraw/zinc/64/20/38/498642038.db2.gz GYKPWYCXLGNIMG-CVEARBPZSA-N 0 3 352.438 3.285 20 30 FGEDHN CSCc1cccnc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000290675670 498642714 /nfs/dbraw/zinc/64/27/14/498642714.db2.gz HMGCTQJKCSDOJR-UHFFFAOYSA-N 0 3 368.506 3.020 20 30 FGEDHN N#C[C@]1(C(=O)NC2CCN(CCc3ccccc3)CC2)CC12CCCC2 ZINC000294301343 498648883 /nfs/dbraw/zinc/64/88/83/498648883.db2.gz CCUCODMDHBLFFC-QFIPXVFZSA-N 0 3 351.494 3.284 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000570012867 506068429 /nfs/dbraw/zinc/06/84/29/506068429.db2.gz VDEUQLRSXJXIBJ-INIZCTEOSA-N 0 3 361.917 3.323 20 30 FGEDHN CN(C)C(=O)c1cccc(CNCc2ccc(N(C)CCC#N)cc2)c1 ZINC000298291093 498722860 /nfs/dbraw/zinc/72/28/60/498722860.db2.gz CQRHKKSQOWQFSB-UHFFFAOYSA-N 0 3 350.466 3.028 20 30 FGEDHN CCOC1(C)CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000298443111 498773706 /nfs/dbraw/zinc/77/37/06/498773706.db2.gz ZBZPNSHSXQLRMT-UHFFFAOYSA-N 0 3 361.511 3.328 20 30 FGEDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000366107618 498779303 /nfs/dbraw/zinc/77/93/03/498779303.db2.gz IDHRQVVBHNFFIV-DOTOQJQBSA-N 0 3 354.475 3.311 20 30 FGEDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000570112886 506093676 /nfs/dbraw/zinc/09/36/76/506093676.db2.gz KBKIXULXIKNRCM-HNAYVOBHSA-N 0 3 352.434 3.077 20 30 FGEDHN CC[C@H](c1ccccc1OC)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000573034332 506103014 /nfs/dbraw/zinc/10/30/14/506103014.db2.gz QXSYTSXCBICYBJ-FXAWDEMLSA-N 0 3 354.450 3.390 20 30 FGEDHN COC(=O)CC1(NCc2ccc(-c3ccccc3C#N)cc2)CCOCC1 ZINC000298808373 498884918 /nfs/dbraw/zinc/88/49/18/498884918.db2.gz ZQQNGLGVHLUJIA-UHFFFAOYSA-N 0 3 364.445 3.427 20 30 FGEDHN Cc1cn2c(n1)[C@H](CNC([O-])=[NH+]C[C@@H]1[C@@H]3Cc4ccccc4[C@H]13)CCC2 ZINC000328660870 498894824 /nfs/dbraw/zinc/89/48/24/498894824.db2.gz WCXVBYZMQNZSTG-KANFNMMFSA-N 0 3 350.466 3.158 20 30 FGEDHN O=C(N[C@@H]1CCn2ccnc2C1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328737834 498921694 /nfs/dbraw/zinc/92/16/94/498921694.db2.gz LWEXLZKKYIJCAB-CHWSQXEVSA-N 0 3 356.392 3.166 20 30 FGEDHN CC(C(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000328796686 498942352 /nfs/dbraw/zinc/94/23/52/498942352.db2.gz UZNZMGRXBVWASI-CXAGYDPISA-N 0 3 351.468 3.003 20 30 FGEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328819871 498949043 /nfs/dbraw/zinc/94/90/43/498949043.db2.gz HLBPKRIWKGIBRN-GDBMZVCRSA-N 0 3 351.491 3.327 20 30 FGEDHN COCC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000299089854 498962366 /nfs/dbraw/zinc/96/23/66/498962366.db2.gz UKPGMFHTDKLYHX-OAHLLOKOSA-N 0 3 373.478 3.397 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1)CO2 ZINC000329020482 499017005 /nfs/dbraw/zinc/01/70/05/499017005.db2.gz LVFXGUXJKGUORD-YSIASYRMSA-N 0 3 366.461 3.301 20 30 FGEDHN Cc1ccn(-c2ccccc2CNC(=O)N2CCCC23CCN(C)CC3)n1 ZINC000329027860 499020045 /nfs/dbraw/zinc/02/00/45/499020045.db2.gz ABLUPQQESYLMNC-UHFFFAOYSA-N 0 3 367.497 3.155 20 30 FGEDHN COCCN1CCC(Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000288422223 499020660 /nfs/dbraw/zinc/02/06/60/499020660.db2.gz MEOGTOBMZAZQDB-UHFFFAOYSA-N 0 3 364.371 3.046 20 30 FGEDHN N#Cc1csc(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000288452705 499029054 /nfs/dbraw/zinc/02/90/54/499029054.db2.gz PMPZUMGHKMPBPS-HXUWFJFHSA-N 0 3 351.475 3.358 20 30 FGEDHN Cn1ccc2ccc(NC(=O)NCC(C)(C)N3CCCCC3)cc2c1=O ZINC000329081597 499036307 /nfs/dbraw/zinc/03/63/07/499036307.db2.gz RTFDUWKUBZFILJ-UHFFFAOYSA-N 0 3 356.470 3.129 20 30 FGEDHN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000329090201 499038210 /nfs/dbraw/zinc/03/82/10/499038210.db2.gz IXEPSEAIGHOXGC-TZIWHRDSSA-N 0 3 357.498 3.399 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000299427261 499056055 /nfs/dbraw/zinc/05/60/55/499056055.db2.gz AGAKNZCIMFANHN-ZDUSSCGKSA-N 0 3 357.439 3.247 20 30 FGEDHN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000329155744 499058660 /nfs/dbraw/zinc/05/86/60/499058660.db2.gz AWBZXSPCPDIIMJ-LUYZLQTOSA-N 0 3 359.445 3.378 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(C)C[C@H]1C ZINC000329213186 499073876 /nfs/dbraw/zinc/07/38/76/499073876.db2.gz JAGXDZCACLSSMH-OAHLLOKOSA-N 0 3 355.486 3.103 20 30 FGEDHN C#CC[C@@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000372541241 499143054 /nfs/dbraw/zinc/14/30/54/499143054.db2.gz VWBZZEIHRZKDIM-HBMCJLEFSA-N 0 3 362.477 3.138 20 30 FGEDHN C=CCN(Cc1nc([C@@H](C)OC)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000370037427 499170007 /nfs/dbraw/zinc/17/00/07/499170007.db2.gz NGIFDKMMQJLLKJ-SJLPKXTDSA-N 0 3 356.470 3.040 20 30 FGEDHN C#CCCOc1ccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 ZINC000367348490 499186192 /nfs/dbraw/zinc/18/61/92/499186192.db2.gz IGGAPDNMTIJZEE-LJQANCHMSA-N 0 3 366.461 3.324 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000367664525 499222597 /nfs/dbraw/zinc/22/25/97/499222597.db2.gz DZIPZUCVOKCGOB-KRWDZBQOSA-N 0 3 366.440 3.224 20 30 FGEDHN C[C@H](NC(=O)NCCN(C)C1CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370567358 499232329 /nfs/dbraw/zinc/23/23/29/499232329.db2.gz BPHGVJCEAVSHHP-ZDUSSCGKSA-N 0 3 369.494 3.136 20 30 FGEDHN C#CCCN(Cc1cncnc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000368073690 499261587 /nfs/dbraw/zinc/26/15/87/499261587.db2.gz LRCOUOYKOXDTSS-GOSISDBHSA-N 0 3 358.486 3.092 20 30 FGEDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1C#N ZINC000368221572 499275374 /nfs/dbraw/zinc/27/53/74/499275374.db2.gz IXCPSPYXZIOKNU-GKCIPKSASA-N 0 3 366.440 3.059 20 30 FGEDHN C[C@@H](NC1CCS(=O)(=O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000368257249 499278958 /nfs/dbraw/zinc/27/89/58/499278958.db2.gz CGFDUZSPQSCCOT-OAHLLOKOSA-N 0 3 354.475 3.453 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N2CCCC23CCN(C)CC3)cc1OC ZINC000371413673 499323178 /nfs/dbraw/zinc/32/31/78/499323178.db2.gz XILOTYZRRNYUMX-VQHVLOKHSA-N 0 3 370.493 3.360 20 30 FGEDHN C[C@H](N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cccc(C#N)c1 ZINC000369222929 499379344 /nfs/dbraw/zinc/37/93/44/499379344.db2.gz AHQXLZRLMOUPGI-JXFKEZNVSA-N 0 3 357.461 3.406 20 30 FGEDHN CO/N=C/c1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)cc1 ZINC000369552292 499416595 /nfs/dbraw/zinc/41/65/95/499416595.db2.gz VGUJAFJOQQXHQG-QGHRKWBVSA-N 0 3 357.479 3.151 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000369620998 499427638 /nfs/dbraw/zinc/42/76/38/499427638.db2.gz GPZHPFULMVSPLV-UHFFFAOYSA-N 0 3 359.518 3.172 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000373499908 499473421 /nfs/dbraw/zinc/47/34/21/499473421.db2.gz BHXXBTJQIXROBQ-PBASOCQRSA-N 0 3 369.509 3.080 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2ccc(F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000375276055 499501969 /nfs/dbraw/zinc/50/19/69/499501969.db2.gz QYPYFDWYCGLXBN-LAUBAEHRSA-N 0 3 369.488 3.336 20 30 FGEDHN CCc1nc([C@@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000378349051 499505050 /nfs/dbraw/zinc/50/50/50/499505050.db2.gz IKOGRMIPGBNFNC-QGZVFWFLSA-N 0 3 353.470 3.361 20 30 FGEDHN CCCn1nccc1C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000375713539 499548098 /nfs/dbraw/zinc/54/80/98/499548098.db2.gz YXLKATGAJAESQO-UHFFFAOYSA-N 0 3 365.481 3.373 20 30 FGEDHN Cc1nc(CN2CCC[C@@H](N[C@@H](C)c3ccc(C#N)cc3Cl)C2)no1 ZINC000376045138 499578601 /nfs/dbraw/zinc/57/86/01/499578601.db2.gz DKWLTKCZISJGAE-SWLSCSKDSA-N 0 3 359.861 3.218 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@@H]21 ZINC000376168339 499588542 /nfs/dbraw/zinc/58/85/42/499588542.db2.gz WFTZPBPFKXTMHA-RXVVDRJESA-N 0 3 360.461 3.039 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC23CCCC3)cc1 ZINC000376628669 499624414 /nfs/dbraw/zinc/62/44/14/499624414.db2.gz KXEIKNBRDZSBKZ-CQSZACIVSA-N 0 3 361.467 3.313 20 30 FGEDHN Cc1ccccc1[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000376753687 499633606 /nfs/dbraw/zinc/63/36/06/499633606.db2.gz OYTCJOVXLDINDS-TZIWHRDSSA-N 0 3 359.429 3.149 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2cccc(SCC#N)c2)[C@@H]1c1cccnc1 ZINC000376897901 499644607 /nfs/dbraw/zinc/64/46/07/499644607.db2.gz UBPDDTAQYRPUQK-HKUYNNGSSA-N 0 3 366.490 3.120 20 30 FGEDHN C=CCN1CC[C@@H](N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)C1=O ZINC000410345265 499656274 /nfs/dbraw/zinc/65/62/74/499656274.db2.gz PKESBDPONCZVCM-RBUKOAKNSA-N 0 3 372.509 3.278 20 30 FGEDHN C#CCCN1CCC(NC(=O)C23CCC(C(F)(F)F)(CC2)CC3)CC1 ZINC000377948756 499750195 /nfs/dbraw/zinc/75/01/95/499750195.db2.gz GPOZEHSYJBVCIO-UHFFFAOYSA-N 0 3 356.432 3.493 20 30 FGEDHN CC(C)N1CCN([C@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000378167297 499761838 /nfs/dbraw/zinc/76/18/38/499761838.db2.gz HCALRYLJWUIIHH-FQEVSTJZSA-N 0 3 354.542 3.088 20 30 FGEDHN C=CCOc1ccc(CNCC2(CS(C)(=O)=O)CCC2)cc1Cl ZINC000414561563 499809359 /nfs/dbraw/zinc/80/93/59/499809359.db2.gz ZKXYKHRNGSAICF-UHFFFAOYSA-N 0 3 357.903 3.209 20 30 FGEDHN COC1([C@H](C)NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCC1 ZINC000412017986 499813058 /nfs/dbraw/zinc/81/30/58/499813058.db2.gz AVNVGBABKHSFRV-HNNXBMFYSA-N 0 3 363.889 3.442 20 30 FGEDHN COc1cc(CN2C[C@H](O)C[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000412027854 499814282 /nfs/dbraw/zinc/81/42/82/499814282.db2.gz AMWKEOOXSZFKGH-OXJNMPFZSA-N 0 3 366.461 3.349 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCC[C@@H]1OC ZINC000570415195 506163079 /nfs/dbraw/zinc/16/30/79/506163079.db2.gz WJFDDGQUYVRNNK-JKSUJKDBSA-N 0 3 350.532 3.152 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415167036 499872458 /nfs/dbraw/zinc/87/24/58/499872458.db2.gz SACNDBLPMPYZEO-BXUZGUMPSA-N 0 3 354.426 3.057 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCCC[C@H]1O ZINC000412983904 499902477 /nfs/dbraw/zinc/90/24/77/499902477.db2.gz AWBVXJLQKNAKSM-DLBZAZTESA-N 0 3 364.559 3.136 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000413182066 499923514 /nfs/dbraw/zinc/92/35/14/499923514.db2.gz RRFGUDSFBXDFNB-UNMCSNQZSA-N 0 3 365.452 3.333 20 30 FGEDHN C[C@H]1CN(CCCCNc2cc(C(F)(F)F)cnc2C#N)C[C@H](C)O1 ZINC000413190634 499924752 /nfs/dbraw/zinc/92/47/52/499924752.db2.gz XGZBAYBUYAKAOU-STQMWFEESA-N 0 3 356.392 3.273 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000413261592 499934038 /nfs/dbraw/zinc/93/40/38/499934038.db2.gz IULUEJDNKYTAPN-UNMCSNQZSA-N 0 3 365.452 3.333 20 30 FGEDHN C[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC000413290406 499937863 /nfs/dbraw/zinc/93/78/63/499937863.db2.gz ADGFWBWIAGYBOP-OQMKEHIESA-N 0 3 364.287 3.391 20 30 FGEDHN Cc1ccc([C@@H](CNCc2ccc(C#N)c(F)c2)N2CCOCC2)cc1 ZINC000421336993 500020129 /nfs/dbraw/zinc/02/01/29/500020129.db2.gz XYUPTGMNUIDWOE-OAQYLSRUSA-N 0 3 353.441 3.169 20 30 FGEDHN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc(C#N)s2)c1 ZINC000421354880 500024064 /nfs/dbraw/zinc/02/40/64/500024064.db2.gz XPYSIVONFVWZEB-LBPRGKRZSA-N 0 3 359.451 3.144 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc2c1CN(C)C2=O)C(C)C ZINC000417275147 500025470 /nfs/dbraw/zinc/02/54/70/500025470.db2.gz CPOSCFFSYQPZOI-IBGZPJMESA-N 0 3 370.497 3.092 20 30 FGEDHN COc1cc(OC)c(C[C@H](C)NCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000421384539 500035105 /nfs/dbraw/zinc/03/51/05/500035105.db2.gz PAIKEQYHHYRUQS-ZDUSSCGKSA-N 0 3 358.413 3.444 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000425168976 500035809 /nfs/dbraw/zinc/03/58/09/500035809.db2.gz MWSIWMLNTLJFOP-IBGZPJMESA-N 0 3 352.482 3.088 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000425225858 500049470 /nfs/dbraw/zinc/04/94/70/500049470.db2.gz PPRXLVNSLCKEPK-OAHLLOKOSA-N 0 3 357.479 3.002 20 30 FGEDHN C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)N1CCC[C@@H](C)C1 ZINC000416694728 500089607 /nfs/dbraw/zinc/08/96/07/500089607.db2.gz UIPUVOZBPSVNBB-GUXCAODWSA-N 0 3 354.498 3.355 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(OCCN(C)C)cc1F)c1cccc(C#N)c1 ZINC000413917077 500094330 /nfs/dbraw/zinc/09/43/30/500094330.db2.gz PTJKTYBZTIZHFV-AWEZNQCLSA-N 0 3 355.413 3.380 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429986492 500178924 /nfs/dbraw/zinc/17/89/24/500178924.db2.gz GMXDDTLGZOFMBX-GOSISDBHSA-N 0 3 365.481 3.068 20 30 FGEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(OCC(F)F)cc3)C2)nc1 ZINC000430188108 500206188 /nfs/dbraw/zinc/20/61/88/500206188.db2.gz REEJGWJIWJSCHI-QGZVFWFLSA-N 0 3 359.376 3.250 20 30 FGEDHN C[C@@H]1CCCCN1Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000570504514 506182732 /nfs/dbraw/zinc/18/27/32/506182732.db2.gz HZHLHKOOZSERRS-OAHLLOKOSA-N 0 3 373.478 3.004 20 30 FGEDHN CN(CC#Cc1ccccc1Cl)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425940634 500214229 /nfs/dbraw/zinc/21/42/29/500214229.db2.gz XIUSHQLWTOWDTM-QFIPXVFZSA-N 0 3 368.908 3.260 20 30 FGEDHN N#Cc1ccc(OCCN(CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430322234 500226074 /nfs/dbraw/zinc/22/60/74/500226074.db2.gz BUAMCCRFQUJCKX-UHFFFAOYSA-N 0 3 358.445 3.472 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426124257 500238601 /nfs/dbraw/zinc/23/86/01/500238601.db2.gz CJJDKDKOXNKDJI-UHFFFAOYSA-N 0 3 357.845 3.202 20 30 FGEDHN Cc1cccn2c1ncc(C(=O)C(C#N)c1ncc(C(C)(C)C)s1)c2=O ZINC000430594614 500260425 /nfs/dbraw/zinc/26/04/25/500260425.db2.gz RXHJOWNGSNQLLH-LBPRGKRZSA-N 0 3 366.446 3.247 20 30 FGEDHN O=C(CN1CC[C@H](CC2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000579500677 506189855 /nfs/dbraw/zinc/18/98/55/506189855.db2.gz VAALDKAPXQZUBX-QGZVFWFLSA-N 0 3 364.411 3.295 20 30 FGEDHN C=C(C)CCN[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000419228380 500344908 /nfs/dbraw/zinc/34/49/08/500344908.db2.gz USCSKBDYTXIACF-FQEVSTJZSA-N 0 3 352.434 3.329 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)nc2OC(C)C)CC1 ZINC000427449066 500394690 /nfs/dbraw/zinc/39/46/90/500394690.db2.gz FHBGKEWSFSWKIZ-UHFFFAOYSA-N 0 3 371.403 3.268 20 30 FGEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000431663699 500405315 /nfs/dbraw/zinc/40/53/15/500405315.db2.gz IUJFCVRYBPPHIU-FPOVZHCZSA-N 0 3 368.481 3.339 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000424072151 500447680 /nfs/dbraw/zinc/44/76/80/500447680.db2.gz CMTGULVMLMXBNT-ICSRJNTNSA-N 0 3 360.461 3.437 20 30 FGEDHN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424093848 500451777 /nfs/dbraw/zinc/45/17/77/500451777.db2.gz SFQLYKBKVAJMDW-HNNXBMFYSA-N 0 3 364.877 3.218 20 30 FGEDHN CC(C)Nc1ccc(Br)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424130830 500458779 /nfs/dbraw/zinc/45/87/79/500458779.db2.gz IBLVKBJFNBNQAM-LBPRGKRZSA-N 0 3 353.264 3.229 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000424144434 500460009 /nfs/dbraw/zinc/46/00/09/500460009.db2.gz SFBOGZPDDGBPTM-PZJWPPBQSA-N 0 3 363.461 3.238 20 30 FGEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncc(C#N)cc1Cl ZINC000432183616 500481416 /nfs/dbraw/zinc/48/14/16/500481416.db2.gz AEQZRFHIWAIQQQ-INIZCTEOSA-N 0 3 368.868 3.201 20 30 FGEDHN N#CCC1(CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000432304392 500496065 /nfs/dbraw/zinc/49/60/65/500496065.db2.gz YPVDQYXATVHLGT-UHFFFAOYSA-N 0 3 356.470 3.367 20 30 FGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000424621855 500529482 /nfs/dbraw/zinc/52/94/82/500529482.db2.gz BJTUORMJROEFPV-LJQANCHMSA-N 0 3 370.541 3.045 20 30 FGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000424673957 500540061 /nfs/dbraw/zinc/54/00/61/500540061.db2.gz CAEUHXFSSAEURP-UHFFFAOYSA-N 0 3 358.486 3.443 20 30 FGEDHN COC1([C@@H](C)NCC#Cc2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000421038284 500561835 /nfs/dbraw/zinc/56/18/35/500561835.db2.gz SZNJTPRKNLZTEF-CQSZACIVSA-N 0 3 357.372 3.110 20 30 FGEDHN C=CCC1(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CCOCC1 ZINC000424817645 500568673 /nfs/dbraw/zinc/56/86/73/500568673.db2.gz DJAXCQCSGIEUQC-UHFFFAOYSA-N 0 3 372.509 3.149 20 30 FGEDHN COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442804479 500627925 /nfs/dbraw/zinc/62/79/25/500627925.db2.gz WWFLVJVDSXYKBX-MRXNPFEDSA-N 0 3 352.434 3.378 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000442809427 500628600 /nfs/dbraw/zinc/62/86/00/500628600.db2.gz KAOMHEXYXCIYEB-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000442832371 500632283 /nfs/dbraw/zinc/63/22/83/500632283.db2.gz BCXINKHDNJZSIC-BPLDGKMQSA-N 0 3 351.372 3.088 20 30 FGEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433299798 500665653 /nfs/dbraw/zinc/66/56/53/500665653.db2.gz RMHQYLIAILYRPH-ZFWWWQNUSA-N 0 3 351.288 3.004 20 30 FGEDHN COCCN([C@@H]1CC[C@H](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878894 500683643 /nfs/dbraw/zinc/68/36/43/500683643.db2.gz LOFDKTFUEXXESN-DBVUQKKJSA-N 0 3 355.482 3.191 20 30 FGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000448068228 500714660 /nfs/dbraw/zinc/71/46/60/500714660.db2.gz USGCGNBDKOZWRF-MRXNPFEDSA-N 0 3 359.474 3.006 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000437930539 500718240 /nfs/dbraw/zinc/71/82/40/500718240.db2.gz JHCUBWAXOZGCSX-RTBURBONSA-N 0 3 359.514 3.177 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000437981232 500724612 /nfs/dbraw/zinc/72/46/12/500724612.db2.gz BSLAGZVIXGWALI-NHCUHLMSSA-N 0 3 373.541 3.174 20 30 FGEDHN N#Cc1csc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)c1 ZINC000438070910 500734409 /nfs/dbraw/zinc/73/44/09/500734409.db2.gz XWSYUHORQHGCSR-UHFFFAOYSA-N 0 3 355.463 3.024 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000570688606 506213877 /nfs/dbraw/zinc/21/38/77/506213877.db2.gz AWAOCGDWWAYRNJ-QXAKKESOSA-N 0 3 362.539 3.318 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCc3cc(OCC)ccc3C2)CC1 ZINC000433817735 500749452 /nfs/dbraw/zinc/74/94/52/500749452.db2.gz AUZOSWLEBKLCGL-UHFFFAOYSA-N 0 3 357.498 3.194 20 30 FGEDHN C=CCOc1ccc(CC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000448676277 500800629 /nfs/dbraw/zinc/80/06/29/500800629.db2.gz QVPYXVNRCFRZER-UHFFFAOYSA-N 0 3 364.489 3.359 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(C#N)c1Br)N1CCC(C)CC1 ZINC000448810523 500840785 /nfs/dbraw/zinc/84/07/85/500840785.db2.gz IYYQUOHPTPXLGT-CYBMUJFWSA-N 0 3 364.287 3.171 20 30 FGEDHN C=CCOc1ccc(CC(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1 ZINC000448815946 500842100 /nfs/dbraw/zinc/84/21/00/500842100.db2.gz KDHQCRWKJZNJJL-UHFFFAOYSA-N 0 3 356.466 3.286 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000448816567 500842831 /nfs/dbraw/zinc/84/28/31/500842831.db2.gz QYSDPMHCULVIGS-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000448919558 500869076 /nfs/dbraw/zinc/86/90/76/500869076.db2.gz BGDPOVFJWQWBEP-UHFFFAOYSA-N 0 3 366.889 3.056 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cccc(C#N)c1Br ZINC000448932039 500872583 /nfs/dbraw/zinc/87/25/83/500872583.db2.gz FYPRLGJMYGMNIN-CHWSQXEVSA-N 0 3 364.287 3.313 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H](CO)C(C)(C)C)c1C#N ZINC000444700924 500882473 /nfs/dbraw/zinc/88/24/73/500882473.db2.gz GQHXVGOHRNCFPF-SFHVURJKSA-N 0 3 374.529 3.417 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cc2ccccc2c(=O)[nH]1)C(C)C ZINC000448974945 500884334 /nfs/dbraw/zinc/88/43/34/500884334.db2.gz NDNDWVUWVBIDJW-FQEVSTJZSA-N 0 3 367.493 3.298 20 30 FGEDHN COc1nc(C)cc(C)c1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000598913355 506222926 /nfs/dbraw/zinc/22/29/26/506222926.db2.gz REAYMOOFZMSVFB-GOSISDBHSA-N 0 3 351.450 3.438 20 30 FGEDHN CN1CCN(CC2(C)CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439437433 500897367 /nfs/dbraw/zinc/89/73/67/500897367.db2.gz KHMVQQXHURVYPJ-UHFFFAOYSA-N 0 3 360.933 3.061 20 30 FGEDHN CC(C)CN1CCCC[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000439693765 500927778 /nfs/dbraw/zinc/92/77/78/500927778.db2.gz HBHLDAACTPNFSW-IBGZPJMESA-N 0 3 359.539 3.418 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000435164001 500939874 /nfs/dbraw/zinc/93/98/74/500939874.db2.gz GDSVMTIIEFPWMD-SFHVURJKSA-N 0 3 352.413 3.483 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](CC(C)(C)C)NC)cc1 ZINC000449239303 500955226 /nfs/dbraw/zinc/95/52/26/500955226.db2.gz JAKBTGKKSIRQGB-GOSISDBHSA-N 0 3 357.498 3.464 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1 ZINC000596051689 506228180 /nfs/dbraw/zinc/22/81/80/506228180.db2.gz MSWUSKFECRAWIG-UHFFFAOYSA-N 0 3 369.490 3.368 20 30 FGEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Cl ZINC000449432941 501002226 /nfs/dbraw/zinc/00/22/26/501002226.db2.gz JYJCNEANRQQMRA-LZLYRXPVSA-N 0 3 351.874 3.267 20 30 FGEDHN C=C(C)COc1cc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1OC ZINC000449436291 501002833 /nfs/dbraw/zinc/00/28/33/501002833.db2.gz XDSXZEAVLHNCGX-IPMKNSEASA-N 0 3 361.482 3.012 20 30 FGEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000449506256 501020628 /nfs/dbraw/zinc/02/06/28/501020628.db2.gz CDCGYVIOKDRQHJ-SJORKVTESA-N 0 3 360.454 3.199 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC2(N(C)C)CCC2)c1 ZINC000445877847 501045072 /nfs/dbraw/zinc/04/50/72/501045072.db2.gz PXUDVTPQPCMVMV-IBGZPJMESA-N 0 3 370.541 3.355 20 30 FGEDHN C=CCC[C@H](CO)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000449698813 501064896 /nfs/dbraw/zinc/06/48/96/501064896.db2.gz OVBSNYBDJRDMAQ-OAHLLOKOSA-N 0 3 350.260 3.052 20 30 FGEDHN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1cccc(Cl)c1C#N ZINC000450450987 501125529 /nfs/dbraw/zinc/12/55/29/501125529.db2.gz GSGWBCDFPQUPEB-IFXJQAMLSA-N 0 3 357.889 3.464 20 30 FGEDHN C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436545983 501153797 /nfs/dbraw/zinc/15/37/97/501153797.db2.gz IXZKBUDPWYPQCT-UHFFFAOYSA-N 0 3 365.477 3.291 20 30 FGEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(-n2cc(Cl)cn2)n1 ZINC000602629499 506239202 /nfs/dbraw/zinc/23/92/02/506239202.db2.gz KINBRRSDRSIZPR-OAHLLOKOSA-N 0 3 373.888 3.418 20 30 FGEDHN C=CCC1(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CCCCC1 ZINC000450175167 501200472 /nfs/dbraw/zinc/20/04/72/501200472.db2.gz VUWRUSZPGOYBDX-FQEVSTJZSA-N 0 3 356.510 3.048 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCC(=O)N(CCC#N)c2ccccc2)C12CCCC2 ZINC000450974089 501236313 /nfs/dbraw/zinc/23/63/13/501236313.db2.gz VGBLAMJTXKESQW-RTBURBONSA-N 0 3 355.482 3.261 20 30 FGEDHN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)ncc1C#N ZINC000457621008 501269983 /nfs/dbraw/zinc/26/99/83/501269983.db2.gz URLBPCSDLZQVKS-QHCPKHFHSA-N 0 3 374.488 3.390 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)NCc2cccc(C#N)c2)N(C)C)cc1 ZINC000457670947 501283643 /nfs/dbraw/zinc/28/36/43/501283643.db2.gz KNSILMFVVYPCKK-LJQANCHMSA-N 0 3 368.506 3.382 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000451602686 501334843 /nfs/dbraw/zinc/33/48/43/501334843.db2.gz XTLBIXMFUCUWTC-NJYVYQBISA-N 0 3 350.462 3.020 20 30 FGEDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000451602378 501334859 /nfs/dbraw/zinc/33/48/59/501334859.db2.gz VLFLKXHOXMLIQU-QAPCUYQASA-N 0 3 351.878 3.029 20 30 FGEDHN CN1CC[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000455766257 501381778 /nfs/dbraw/zinc/38/17/78/501381778.db2.gz TUGXXJYZCORYSV-RDJZCZTQSA-N 0 3 355.829 3.174 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000458206441 501393047 /nfs/dbraw/zinc/39/30/47/501393047.db2.gz UUFCNFFIXGNYHL-UHFFFAOYSA-N 0 3 373.547 3.443 20 30 FGEDHN CC(C)(C)CC(C)(C)N1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000451909428 501398680 /nfs/dbraw/zinc/39/86/80/501398680.db2.gz ZPILUYKLCLQXSL-UHFFFAOYSA-N 0 3 362.543 3.391 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc(C)cc(C#N)c2)cc1 ZINC000455948448 501423379 /nfs/dbraw/zinc/42/33/79/501423379.db2.gz AZJLRAFYQLSMPB-IBGZPJMESA-N 0 3 352.438 3.300 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C1CCC1 ZINC000459036292 501580420 /nfs/dbraw/zinc/58/04/20/501580420.db2.gz XIPXSIJFXBIXIS-UHFFFAOYSA-N 0 3 356.514 3.458 20 30 FGEDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000457058035 501642627 /nfs/dbraw/zinc/64/26/27/501642627.db2.gz VJCCNABXORBCIJ-UHFFFAOYSA-N 0 3 364.449 3.350 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000457207677 501665570 /nfs/dbraw/zinc/66/55/70/501665570.db2.gz MYZTZBAOZOXWOW-UHFFFAOYSA-N 0 3 351.450 3.207 20 30 FGEDHN COC(=O)c1cccc2c1CCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000457247169 501671642 /nfs/dbraw/zinc/67/16/42/501671642.db2.gz SILDLSABSYYAGW-KRWDZBQOSA-N 0 3 362.429 3.130 20 30 FGEDHN CC(C)[C@@H](NCC(=O)N(CCC#N)c1ccccc1)C1(CO)CCCC1 ZINC000459535234 501671796 /nfs/dbraw/zinc/67/17/96/501671796.db2.gz RRKHEEIFPBPUFK-HXUWFJFHSA-N 0 3 357.498 3.100 20 30 FGEDHN Cc1cc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)ncc1C#N ZINC000457500379 501711848 /nfs/dbraw/zinc/71/18/48/501711848.db2.gz CRKDSCSOQXYXLM-UHFFFAOYSA-N 0 3 366.490 3.105 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C)CCCC[C@H]2C)cc1 ZINC000455248956 501716303 /nfs/dbraw/zinc/71/63/03/501716303.db2.gz HMXKNGSDKAMGGA-GLJUWKHASA-N 0 3 363.483 3.463 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CCCCCC2)cc1 ZINC000455257114 501717232 /nfs/dbraw/zinc/71/72/32/501717232.db2.gz PNXIDWVKGLPJGA-AWEZNQCLSA-N 0 3 363.483 3.464 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000596125561 506270705 /nfs/dbraw/zinc/27/07/05/506270705.db2.gz BVCFOEJJEABKSK-NRFANRHFSA-N 0 3 362.477 3.017 20 30 FGEDHN CC[C@H]1[C@H](C)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000481388107 501759503 /nfs/dbraw/zinc/75/95/03/501759503.db2.gz CYIKZFQVPGAZIY-PBHICJAKSA-N 0 3 352.400 3.294 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000481514033 501797317 /nfs/dbraw/zinc/79/73/17/501797317.db2.gz IEYLBWCAEDGRLO-KKVAFCGZSA-N 0 3 374.868 3.317 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460383833 501810524 /nfs/dbraw/zinc/81/05/24/501810524.db2.gz WVBCTSODOCDAJR-HXUWFJFHSA-N 0 3 365.525 3.426 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470836935 501824323 /nfs/dbraw/zinc/82/43/23/501824323.db2.gz RLUQDSRXBVYODB-VOQZNFBZSA-N 0 3 372.472 3.192 20 30 FGEDHN COc1ccc(C(=O)NCCN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481636684 501838334 /nfs/dbraw/zinc/83/83/34/501838334.db2.gz BTQWHTUGKKTTSH-NRFANRHFSA-N 0 3 363.461 3.354 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000470905448 501848672 /nfs/dbraw/zinc/84/86/72/501848672.db2.gz GALDTTRQJWQGTA-IBGZPJMESA-N 0 3 356.422 3.413 20 30 FGEDHN COc1ccc(C2(CNC(=O)C(C#N)Cc3ccc(C#N)cc3)CCC2)cc1 ZINC000471083971 501914017 /nfs/dbraw/zinc/91/40/17/501914017.db2.gz ACMAAYWSYUEXLM-LJQANCHMSA-N 0 3 373.456 3.487 20 30 FGEDHN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471100758 501919666 /nfs/dbraw/zinc/91/96/66/501919666.db2.gz DTGVIDJHVQXOPB-HNNXBMFYSA-N 0 3 357.335 3.316 20 30 FGEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)NCc1cccs1 ZINC000592866780 506281838 /nfs/dbraw/zinc/28/18/38/506281838.db2.gz IEQOBJNCSKAKOJ-AEFFLSMTSA-N 0 3 369.490 3.032 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1(COC)CCC1 ZINC000460883576 501948865 /nfs/dbraw/zinc/94/88/65/501948865.db2.gz VTTPLNJMRBWMEC-UHFFFAOYSA-N 0 3 364.559 3.401 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471241311 501965156 /nfs/dbraw/zinc/96/51/56/501965156.db2.gz FOPKHFAEQYWOAK-SFHVURJKSA-N 0 3 364.449 3.210 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460942732 501965232 /nfs/dbraw/zinc/96/52/32/501965232.db2.gz DCTBSDUBCNXSHW-DLBZAZTESA-N 0 3 357.502 3.151 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCC(=O)NC1(C#N)CCCCC1 ZINC000482159243 501993288 /nfs/dbraw/zinc/99/32/88/501993288.db2.gz VCZHQGMVMUPHHQ-HXUWFJFHSA-N 0 3 370.541 3.075 20 30 FGEDHN N#CC(C(=O)c1cccc(-c2nc[nH]n2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464473693 501999158 /nfs/dbraw/zinc/99/91/58/501999158.db2.gz HKLAMVYKVYBJEG-CYBMUJFWSA-N 0 3 357.295 3.376 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@@H]1CCCO1 ZINC000468472948 502071160 /nfs/dbraw/zinc/07/11/60/502071160.db2.gz PLRMGSROISIWBY-INIZCTEOSA-N 0 3 350.532 3.154 20 30 FGEDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000486420126 502148547 /nfs/dbraw/zinc/14/85/47/502148547.db2.gz ALKWMJAPUFNDFK-HNNXBMFYSA-N 0 3 368.403 3.212 20 30 FGEDHN CCc1nc(C#N)cc(N(C)CCC2CCN(c3ccncc3)CC2)n1 ZINC000596181878 506296761 /nfs/dbraw/zinc/29/67/61/506296761.db2.gz LYJQHRMKAYRPDW-UHFFFAOYSA-N 0 3 350.470 3.049 20 30 FGEDHN CCO[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1=CCCC1 ZINC000465031654 502176647 /nfs/dbraw/zinc/17/66/47/502176647.db2.gz OHABKSVBJPQTPY-OAQYLSRUSA-N 0 3 369.509 3.354 20 30 FGEDHN COc1cccc(C2(CN[C@H](C)C(=O)NC3(C#N)CCC3)CCCC2)c1 ZINC000468832163 502198272 /nfs/dbraw/zinc/19/82/72/502198272.db2.gz DINSJLKIIRDOEF-MRXNPFEDSA-N 0 3 355.482 3.048 20 30 FGEDHN N#CC(C(=O)Nc1ncc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000461797495 502205400 /nfs/dbraw/zinc/20/54/00/502205400.db2.gz QEGPZKINSRHYMU-CYBMUJFWSA-N 0 3 365.374 3.359 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000465403027 502251312 /nfs/dbraw/zinc/25/13/12/502251312.db2.gz GHWSJPFVYBLPOR-XERREHJYSA-N 0 3 373.497 3.124 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)CSc1ccc(C#N)cc1 ZINC000486925484 502306299 /nfs/dbraw/zinc/30/62/99/502306299.db2.gz LCRIZTCNSQCHSZ-UHFFFAOYSA-N 0 3 371.481 3.380 20 30 FGEDHN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nccc2ccccc21 ZINC000483219648 502318029 /nfs/dbraw/zinc/31/80/29/502318029.db2.gz MAHKWEUFFIVGEV-FUHWJXTLSA-N 0 3 359.385 3.288 20 30 FGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599073189 506309882 /nfs/dbraw/zinc/30/98/82/506309882.db2.gz OPIWEZVESOFHKG-FQEVSTJZSA-N 0 3 368.525 3.331 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 ZINC000483603650 502441713 /nfs/dbraw/zinc/44/17/13/502441713.db2.gz TVOZXSCLTAYWPT-ZIAGYGMSSA-N 0 3 363.483 3.272 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000466034230 502460489 /nfs/dbraw/zinc/46/04/89/502460489.db2.gz AWCQYWJKXVOUJP-APWZRJJASA-N 0 3 370.497 3.105 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000466034232 502460973 /nfs/dbraw/zinc/46/09/73/502460973.db2.gz AWCQYWJKXVOUJP-QFBILLFUSA-N 0 3 370.497 3.105 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487813470 502536440 /nfs/dbraw/zinc/53/64/40/502536440.db2.gz DORYYZMDPQXHEH-LBPRGKRZSA-N 0 3 365.275 3.126 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H](C2CCC2)C1)C(C)C ZINC000487829642 502541333 /nfs/dbraw/zinc/54/13/33/502541333.db2.gz DNSKXJNVPKSEQM-VQTJNVASSA-N 0 3 363.546 3.143 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)NCC#Cc1ccccc1)C1CC1 ZINC000476723181 502572158 /nfs/dbraw/zinc/57/21/58/502572158.db2.gz VMTZIWSZFWVYGP-QFIPXVFZSA-N 0 3 361.489 3.248 20 30 FGEDHN C[C@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487991996 502592682 /nfs/dbraw/zinc/59/26/82/502592682.db2.gz KDHWVEIABIZWIM-LBPRGKRZSA-N 0 3 365.275 3.317 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1noc2c1CCCC2)C(C)C ZINC000480542295 502597332 /nfs/dbraw/zinc/59/73/32/502597332.db2.gz OOOQOOIUSDZTRS-GOSISDBHSA-N 0 3 360.502 3.051 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000484344800 502630147 /nfs/dbraw/zinc/63/01/47/502630147.db2.gz VANDDIIAUFVYMK-FQEVSTJZSA-N 0 3 367.493 3.224 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NCCCCN3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000488119965 502632901 /nfs/dbraw/zinc/63/29/01/502632901.db2.gz VBDRXQQNTXMSTK-IRXDYDNUSA-N 0 3 352.482 3.138 20 30 FGEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000477070270 502668892 /nfs/dbraw/zinc/66/88/92/502668892.db2.gz DSQOBIIXYPTGCA-QWXGXRTQSA-N 0 3 369.490 3.317 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1 ZINC000473721098 502686223 /nfs/dbraw/zinc/68/62/23/502686223.db2.gz AVTNOZNQKKIWIL-UHFFFAOYSA-N 0 3 366.387 3.123 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484632418 502690080 /nfs/dbraw/zinc/69/00/80/502690080.db2.gz AISPPXXAKSBSIU-YVWKXTFCSA-N 0 3 357.498 3.283 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000473743205 502693983 /nfs/dbraw/zinc/69/39/83/502693983.db2.gz JSIVJSVRMWYFKA-OAQYLSRUSA-N 0 3 364.493 3.170 20 30 FGEDHN N#Cc1cccc(OCCCN2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000477157296 502694515 /nfs/dbraw/zinc/69/45/15/502694515.db2.gz QGUINMALLODAKE-UHFFFAOYSA-N 0 3 369.509 3.442 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2ccccc2c(=O)o1)C(C)C ZINC000480894286 502700308 /nfs/dbraw/zinc/70/03/08/502700308.db2.gz PTDLGUGMDXKRIW-GOSISDBHSA-N 0 3 354.450 3.221 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C2CCCCC2)cc1 ZINC000480976439 502717944 /nfs/dbraw/zinc/71/79/44/502717944.db2.gz ZKTBGZICQUVXMG-UONOGXRCSA-N 0 3 363.483 3.463 20 30 FGEDHN C=CCCN(C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000466982915 502747170 /nfs/dbraw/zinc/74/71/70/502747170.db2.gz NBBMNPILRMRPIE-UHFFFAOYSA-N 0 3 358.530 3.115 20 30 FGEDHN CN(C)C1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC000474071526 502797245 /nfs/dbraw/zinc/79/72/45/502797245.db2.gz FBQHSCXALUHVAE-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN N#Cc1ccc(C(F)(F)F)c(N2CCC(N3CCCOCC3)CC2)c1 ZINC000596269704 506335033 /nfs/dbraw/zinc/33/50/33/506335033.db2.gz YYAULSXOSYQJJO-UHFFFAOYSA-N 0 3 353.388 3.268 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(C#N)cc(N(C)C)c1)N(C)C ZINC000504985082 502835323 /nfs/dbraw/zinc/83/53/23/502835323.db2.gz KZLXZRQASFYAMZ-KKSFZXQISA-N 0 3 364.493 3.354 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1 ZINC000513060308 502842356 /nfs/dbraw/zinc/84/23/56/502842356.db2.gz ZNOMVIFELQZAID-KBPBESRZSA-N 0 3 374.510 3.418 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)CCC#N ZINC000513135578 502861201 /nfs/dbraw/zinc/86/12/01/502861201.db2.gz LRRYDIDLAZYXFU-IBGZPJMESA-N 0 3 371.529 3.407 20 30 FGEDHN C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H](c1ccccc1)N(C)C ZINC000505587597 502942682 /nfs/dbraw/zinc/94/26/82/502942682.db2.gz NICDZHHKNAQQIW-RRMPHLOHSA-N 0 3 373.497 3.056 20 30 FGEDHN C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H](c1ccccc1)N(C)C ZINC000505593056 502943534 /nfs/dbraw/zinc/94/35/34/502943534.db2.gz WRFRUSTYYAMQBC-KKSFZXQISA-N 0 3 373.460 3.165 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(F)c1C#N ZINC000489699576 503014412 /nfs/dbraw/zinc/01/44/12/503014412.db2.gz HDUMLGHAHPATKJ-FOIQADDNSA-N 0 3 351.425 3.338 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(F)c1 ZINC000506002206 503027066 /nfs/dbraw/zinc/02/70/66/503027066.db2.gz MQEUBBNAQXYJAC-KRWDZBQOSA-N 0 3 365.387 3.200 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497902021 503063237 /nfs/dbraw/zinc/06/32/37/503063237.db2.gz XMHDMGSGMMWHOH-XLIONFOSSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000498107749 503108249 /nfs/dbraw/zinc/10/82/49/503108249.db2.gz WBSPGDSSQHLLGL-LJQANCHMSA-N 0 3 355.482 3.193 20 30 FGEDHN COC(=O)C[C@@](C)(NCCCC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000510777381 503191109 /nfs/dbraw/zinc/19/11/09/503191109.db2.gz JZIQGEZCPZAGNE-HXUWFJFHSA-N 0 3 374.481 3.164 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCCC[C@H]3OC(F)F)C2=O)cc1 ZINC000502514936 503215429 /nfs/dbraw/zinc/21/54/29/503215429.db2.gz XLXYGHAYKVHNJL-IXDOHACOSA-N 0 3 363.408 3.194 20 30 FGEDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000502566694 503227560 /nfs/dbraw/zinc/22/75/60/503227560.db2.gz SCKSYUOVFGUFLR-DJIMGWMZSA-N 0 3 365.424 3.462 20 30 FGEDHN CC[C@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000511014398 503236018 /nfs/dbraw/zinc/23/60/18/503236018.db2.gz KDTKNZGHBNKWPV-FPOVZHCZSA-N 0 3 363.461 3.279 20 30 FGEDHN C[C@H]1C[C@@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000491205357 503286588 /nfs/dbraw/zinc/28/65/88/503286588.db2.gz NFKMUVQUDDMFGA-IRXDYDNUSA-N 0 3 350.466 3.044 20 30 FGEDHN COc1ccccc1C[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507401399 503294298 /nfs/dbraw/zinc/29/42/98/503294298.db2.gz LBFYXMSHSLBIIS-OXJNMPFZSA-N 0 3 363.461 3.283 20 30 FGEDHN C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000502883689 503298952 /nfs/dbraw/zinc/29/89/52/503298952.db2.gz UBYUNUWPTOCHGD-UWVAXJGDSA-N 0 3 356.514 3.456 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC3(CCSCC3)CC2)cc1 ZINC000602950251 506363525 /nfs/dbraw/zinc/36/35/25/506363525.db2.gz ZQFMNGUVJPOVQB-GOSISDBHSA-N 0 3 360.523 3.102 20 30 FGEDHN Cc1cc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000502947844 503312759 /nfs/dbraw/zinc/31/27/59/503312759.db2.gz HFXBNBVRMFPJBX-WBVHZDCISA-N 0 3 365.481 3.045 20 30 FGEDHN CCC1(N2CCOCC2)CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000599184049 506364361 /nfs/dbraw/zinc/36/43/61/506364361.db2.gz XAFHWWNGIRBBGV-UHFFFAOYSA-N 0 3 364.493 3.496 20 30 FGEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000511657158 503364025 /nfs/dbraw/zinc/36/40/25/503364025.db2.gz QFBKMAPQWXCOGE-GCDKYVQMSA-N 0 3 351.368 3.292 20 30 FGEDHN Cc1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000511730888 503377136 /nfs/dbraw/zinc/37/71/36/503377136.db2.gz LDCJMUXQKVGAIQ-HXUWFJFHSA-N 0 3 362.477 3.292 20 30 FGEDHN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CCCC1(C#N)CCOCC1 ZINC000503262759 503380602 /nfs/dbraw/zinc/38/06/02/503380602.db2.gz LYANLWQMPDEFEC-SFHVURJKSA-N 0 3 357.498 3.238 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000493504749 503430213 /nfs/dbraw/zinc/43/02/13/503430213.db2.gz TYWYHMYQEXEUQH-LJHODMEESA-N 0 3 361.511 3.018 20 30 FGEDHN N#CCc1ccc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000516053650 503438087 /nfs/dbraw/zinc/43/80/87/503438087.db2.gz HZGBUPDTMKBWMJ-PZJWPPBQSA-N 0 3 360.461 3.491 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)o2)cc1 ZINC000516148419 503455457 /nfs/dbraw/zinc/45/54/57/503455457.db2.gz ZTVZLLJXBCSAQY-KZNAEPCWSA-N 0 3 352.438 3.124 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CSC[C@@H]2C)ccc1Cl ZINC000512147959 503469930 /nfs/dbraw/zinc/46/99/30/503469930.db2.gz MNIKFQJRZGPLMX-XJKSGUPXSA-N 0 3 351.903 3.236 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccco1 ZINC000516334865 503496970 /nfs/dbraw/zinc/49/69/70/503496970.db2.gz RUTYAGLXWYVEBK-DAYGRLMNSA-N 0 3 355.438 3.164 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000504016559 503510997 /nfs/dbraw/zinc/51/09/97/503510997.db2.gz AYAOPGKPJJEEAV-QGZVFWFLSA-N 0 3 371.525 3.370 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000611966870 506376553 /nfs/dbraw/zinc/37/65/53/506376553.db2.gz CMRGJMWEAIQDFQ-HUUCEWRRSA-N 0 3 365.433 3.413 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000508690483 503543668 /nfs/dbraw/zinc/54/36/68/503543668.db2.gz RZULKPGNRWDWTB-IBGZPJMESA-N 0 3 365.452 3.411 20 30 FGEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508917770 503600063 /nfs/dbraw/zinc/60/00/63/503600063.db2.gz KQWYHLXZWWLGBM-DLBZAZTESA-N 0 3 361.534 3.120 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508931869 503603219 /nfs/dbraw/zinc/60/32/19/503603219.db2.gz QONIWCGSOFYOIA-FQEVSTJZSA-N 0 3 365.525 3.428 20 30 FGEDHN CC(C)(CNC(=O)NCC#Cc1ccccc1)N1CCc2ccccc2C1 ZINC000504778774 503614729 /nfs/dbraw/zinc/61/47/29/503614729.db2.gz MGAACGPUQNTYKH-UHFFFAOYSA-N 0 3 361.489 3.174 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](COC(F)F)C2)cc1Cl ZINC000512842595 503643973 /nfs/dbraw/zinc/64/39/73/503643973.db2.gz AZGWTWKWCZQJPS-LLVKDONJSA-N 0 3 357.788 3.101 20 30 FGEDHN N#CCCC1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000517134940 503652719 /nfs/dbraw/zinc/65/27/19/503652719.db2.gz VZVWTHPNAZFWJF-INIZCTEOSA-N 0 3 367.287 3.205 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2c(F)cccc2Cl)c(F)c1 ZINC000532987178 503690003 /nfs/dbraw/zinc/69/00/03/503690003.db2.gz WFJAWLZRUBVRCX-ZDUSSCGKSA-N 0 3 350.796 3.431 20 30 FGEDHN C=C(CC)CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000540203016 503707797 /nfs/dbraw/zinc/70/77/97/503707797.db2.gz YAKRPHQZDZOQCU-CYBMUJFWSA-N 0 3 352.276 3.461 20 30 FGEDHN N#CCC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000533048152 503713087 /nfs/dbraw/zinc/71/30/87/503713087.db2.gz LKISCXOSKOPXEK-LEWJYISDSA-N 0 3 362.477 3.455 20 30 FGEDHN CN(C)CCOc1ccccc1-c1noc(COc2ccccc2C#N)n1 ZINC000546497788 503768626 /nfs/dbraw/zinc/76/86/26/503768626.db2.gz VPUSLHFDJMACRW-UHFFFAOYSA-N 0 3 364.405 3.128 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3cc(C)ccc23)CC1 ZINC000527372967 503781362 /nfs/dbraw/zinc/78/13/62/503781362.db2.gz RPISFXGMDOKXTM-UHFFFAOYSA-N 0 3 354.498 3.359 20 30 FGEDHN N#Cc1ccc(CNc2cccc(CN3CCC(C(N)=O)CC3)c2)c(F)c1 ZINC000533448772 503850201 /nfs/dbraw/zinc/85/02/01/503850201.db2.gz HOXIRWYSHBWNNQ-UHFFFAOYSA-N 0 3 366.440 3.007 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000530232166 503885011 /nfs/dbraw/zinc/88/50/11/503885011.db2.gz ODXBWBGLIIMWFA-WMZOPIPTSA-N 0 3 372.852 3.455 20 30 FGEDHN N#CC(C(=O)c1ccc(OC2CCCC2)nc1)c1nnc2n1CCCCC2 ZINC000543806504 503899499 /nfs/dbraw/zinc/89/94/99/503899499.db2.gz DIIMYHFPGXRLAY-INIZCTEOSA-N 0 3 365.437 3.211 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000518056247 503900297 /nfs/dbraw/zinc/90/02/97/503900297.db2.gz ZFGHFZMATSTZBR-UHFFFAOYSA-N 0 3 368.275 3.230 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)OCC ZINC000533715778 503931836 /nfs/dbraw/zinc/93/18/36/503931836.db2.gz PRULOEIJEGPDEQ-GOSISDBHSA-N 0 3 354.441 3.226 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000527768622 503935520 /nfs/dbraw/zinc/93/55/20/503935520.db2.gz QUKAYTSHXJCVLR-UHFFFAOYSA-N 0 3 361.461 3.029 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000543906156 503937139 /nfs/dbraw/zinc/93/71/39/503937139.db2.gz WXFXSBJAGAIREU-OIRASMEMSA-N 0 3 361.492 3.037 20 30 FGEDHN COc1cccc2c1CC[C@H]2N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000540953352 503952660 /nfs/dbraw/zinc/95/26/60/503952660.db2.gz FLNXAJRHWMVSHO-WOJBJXKFSA-N 0 3 361.445 3.339 20 30 FGEDHN N#Cc1ccc(Oc2cccc(NC(=O)NCCNc3ccncc3)c2)cc1 ZINC000533814188 503959955 /nfs/dbraw/zinc/95/99/55/503959955.db2.gz ZFZDJNLFOWPNMC-UHFFFAOYSA-N 0 3 373.416 3.401 20 30 FGEDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518418642 503979736 /nfs/dbraw/zinc/97/97/36/503979736.db2.gz BYYSVOSIJKVTKQ-UHFFFAOYSA-N 0 3 366.465 3.405 20 30 FGEDHN N#Cc1ccc(OCCN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000541055575 503988339 /nfs/dbraw/zinc/98/83/39/503988339.db2.gz UNHWNNQBSVXUBM-QGZVFWFLSA-N 0 3 361.239 3.023 20 30 FGEDHN CC(=O)Nc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccc1F ZINC000518507833 504003764 /nfs/dbraw/zinc/00/37/64/504003764.db2.gz RXOGBQGSKKRKGG-ZDUSSCGKSA-N 0 3 350.353 3.161 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)CCCCOc2cccc(C#N)c2)cc1 ZINC000518970439 504106609 /nfs/dbraw/zinc/10/66/09/504106609.db2.gz FYWYQZWNIKYNRI-UHFFFAOYSA-N 0 3 365.477 3.485 20 30 FGEDHN C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000547474091 504119406 /nfs/dbraw/zinc/11/94/06/504119406.db2.gz PKRBDYYVONXSIE-IAGOWNOFSA-N 0 3 367.559 3.033 20 30 FGEDHN C=C(C)[C@H](CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)OCC ZINC000534418888 504136494 /nfs/dbraw/zinc/13/64/94/504136494.db2.gz GTLJCHKBKSJXHI-SFHVURJKSA-N 0 3 366.546 3.288 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)[C@H]2CCCOC2)c1C#N ZINC000544471378 504146754 /nfs/dbraw/zinc/14/67/54/504146754.db2.gz ZYMDQMUCMJYYLV-WBVHZDCISA-N 0 3 372.513 3.435 20 30 FGEDHN C=CCC[C@@H](NCC(=O)N1CCC(C(=O)OCC)CC1)c1ccccc1 ZINC000538190044 504156658 /nfs/dbraw/zinc/15/66/58/504156658.db2.gz CPHJHKYEDGXUNB-LJQANCHMSA-N 0 3 358.482 3.085 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000528386718 504199970 /nfs/dbraw/zinc/19/99/70/504199970.db2.gz JPXWUQGMZCTXNE-FXAWDEMLSA-N 0 3 354.425 3.002 20 30 FGEDHN Cc1cc([C@@H](NC[C@H](O)COc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000538322661 504206278 /nfs/dbraw/zinc/20/62/78/504206278.db2.gz DXUZJKQWONHNME-RXVVDRJESA-N 0 3 354.425 3.486 20 30 FGEDHN CC(C)[C@@H](CNC(=O)Cc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000531148011 504207073 /nfs/dbraw/zinc/20/70/73/504207073.db2.gz AQKYZZGDEYXXTI-JOCHJYFZSA-N 0 3 361.489 3.300 20 30 FGEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1ccccc1C#N)CCC2 ZINC000528425149 504218253 /nfs/dbraw/zinc/21/82/53/504218253.db2.gz MRMNWEUXKCKQRO-RDJZCZTQSA-N 0 3 371.506 3.326 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000538390018 504230068 /nfs/dbraw/zinc/23/00/68/504230068.db2.gz MXSHSLMJSIPHDI-PXNSSMCTSA-N 0 3 363.477 3.263 20 30 FGEDHN COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCCO ZINC000538508640 504268398 /nfs/dbraw/zinc/26/83/98/504268398.db2.gz WGBUUNPCGLEMCQ-UONOGXRCSA-N 0 3 358.413 3.489 20 30 FGEDHN C=CCOc1c(Br)cc(CNC(C)(C)[C@H](C)O)cc1OC ZINC000534970992 504298097 /nfs/dbraw/zinc/29/80/97/504298097.db2.gz LKMWAPVMVACJSJ-NSHDSACASA-N 0 3 358.276 3.272 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000531450702 504311404 /nfs/dbraw/zinc/31/14/04/504311404.db2.gz CPYGLJXAGYKBHV-CYJAXWMASA-N 0 3 355.482 3.260 20 30 FGEDHN N#Cc1cccc(OCCN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541949138 504312434 /nfs/dbraw/zinc/31/24/34/504312434.db2.gz NJBANWIEKJZIPW-QGZVFWFLSA-N 0 3 350.340 3.279 20 30 FGEDHN C[C@H](NCCCS(=O)(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542014163 504336343 /nfs/dbraw/zinc/33/63/43/504336343.db2.gz ZISOJEVMCBVPIJ-INIZCTEOSA-N 0 3 371.506 3.157 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1C#N ZINC000528770362 504372471 /nfs/dbraw/zinc/37/24/71/504372471.db2.gz YZBIXXPHFRXCJF-YEOLMYPVSA-N 0 3 372.513 3.432 20 30 FGEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1ccccc1OCC(=O)N(C)C ZINC000542255541 504425709 /nfs/dbraw/zinc/42/57/09/504425709.db2.gz JTCZOISEMIODGP-FQEVSTJZSA-N 0 3 365.477 3.461 20 30 FGEDHN C[C@@H]1[C@H](C)N(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000538955102 504428079 /nfs/dbraw/zinc/42/80/79/504428079.db2.gz ZEMHIGLFIRWUCB-LSDHHAIUSA-N 0 3 374.554 3.242 20 30 FGEDHN Cc1nn(-c2ccncc2)cc1CNCCSCc1ccccc1C#N ZINC000542320153 504449472 /nfs/dbraw/zinc/44/94/72/504449472.db2.gz VWYWHXVTOWPAHF-UHFFFAOYSA-N 0 3 363.490 3.470 20 30 FGEDHN N#CC(C(=O)c1cnc2nccnc2c1)c1nc2ccccc2n1C(F)F ZINC000545449473 504491597 /nfs/dbraw/zinc/49/15/97/504491597.db2.gz YJLBVBUEIZMUPM-LLVKDONJSA-N 0 3 364.315 3.260 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCn1ccnc1C ZINC000535691435 504509368 /nfs/dbraw/zinc/50/93/68/504509368.db2.gz DQLUBGHHCLMJLL-UHFFFAOYSA-N 0 3 374.558 3.180 20 30 FGEDHN COc1ccccc1C[C@H](NCC(=O)NCc1cccc(C#N)c1)C(C)C ZINC000542562444 504540997 /nfs/dbraw/zinc/54/09/97/504540997.db2.gz GHFRWSLTOGVPQY-FQEVSTJZSA-N 0 3 365.477 3.040 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000539377072 504547103 /nfs/dbraw/zinc/54/71/03/504547103.db2.gz IHSNGJFIIRUKTA-XGHQBKJUSA-N 0 3 356.514 3.380 20 30 FGEDHN Cc1cc([C@@H](NCC(=O)NCc2cccc(C#N)c2)C2CC2)ccc1F ZINC000539423736 504566808 /nfs/dbraw/zinc/56/68/08/504566808.db2.gz GCKBRFLSBRYWFM-NRFANRHFSA-N 0 3 351.425 3.363 20 30 FGEDHN C=CCOc1ccc(CNCCN2CCN(c3ccccc3)CC2)cc1 ZINC000520954977 504615513 /nfs/dbraw/zinc/61/55/13/504615513.db2.gz XOUFKEKQENKNSV-UHFFFAOYSA-N 0 3 351.494 3.163 20 30 FGEDHN CC[C@H](C)n1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1C ZINC000539755737 504674881 /nfs/dbraw/zinc/67/48/81/504674881.db2.gz RSXQTQKTAXKFJL-INIZCTEOSA-N 0 3 367.497 3.238 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000521419606 504732473 /nfs/dbraw/zinc/73/24/73/504732473.db2.gz BCQMUVCNLWPHQV-QGZVFWFLSA-N 0 3 355.482 3.050 20 30 FGEDHN CN(C)C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549245246 504736575 /nfs/dbraw/zinc/73/65/75/504736575.db2.gz OAUYCEJGFXMGHN-SFHVURJKSA-N 0 3 357.841 3.010 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000521590309 504761365 /nfs/dbraw/zinc/76/13/65/504761365.db2.gz VPQZUWCGIVQMFW-SFHVURJKSA-N 0 3 370.403 3.022 20 30 FGEDHN C[C@H](C#N)CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CC1 ZINC000532811003 504762793 /nfs/dbraw/zinc/76/27/93/504762793.db2.gz XPRILNYQNNWMKM-MRXNPFEDSA-N 0 3 372.538 3.434 20 30 FGEDHN CN1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC12CCCCC2 ZINC000565166788 504814697 /nfs/dbraw/zinc/81/46/97/504814697.db2.gz VAKLPLDCNRMPCJ-UHFFFAOYSA-N 0 3 351.454 3.059 20 30 FGEDHN CC(C)N1CCCC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000553207302 504851795 /nfs/dbraw/zinc/85/17/95/504851795.db2.gz CQXYWJAAGBONNV-IBGZPJMESA-N 0 3 373.472 3.330 20 30 FGEDHN CN(C)C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000549617273 504861010 /nfs/dbraw/zinc/86/10/10/504861010.db2.gz ICWAMBYZYDBSQN-OAHLLOKOSA-N 0 3 363.248 3.293 20 30 FGEDHN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000549685908 504873514 /nfs/dbraw/zinc/87/35/14/504873514.db2.gz XHRNPRGIXAEKOJ-UHFFFAOYSA-N 0 3 366.513 3.371 20 30 FGEDHN C=CCSCCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000559608760 504895770 /nfs/dbraw/zinc/89/57/70/504895770.db2.gz BYQUWFWWZNFTAD-UHFFFAOYSA-N 0 3 355.935 3.332 20 30 FGEDHN COc1cc(C#N)ccc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000559634472 504901695 /nfs/dbraw/zinc/90/16/95/504901695.db2.gz HVDBWCTWPFQTJP-IBGZPJMESA-N 0 3 352.434 3.237 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000553478793 504926660 /nfs/dbraw/zinc/92/66/60/504926660.db2.gz UEOATGCZFOOPBQ-DTTOXWODSA-N 0 3 361.461 3.110 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000553488967 504929802 /nfs/dbraw/zinc/92/98/02/504929802.db2.gz FAPPLBWQXRSHFW-UHFFFAOYSA-N 0 3 365.481 3.082 20 30 FGEDHN CCCN(C)[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553580934 504955235 /nfs/dbraw/zinc/95/52/35/504955235.db2.gz WNTGLCYFYBJNNX-INIZCTEOSA-N 0 3 373.844 3.432 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000556833386 504988963 /nfs/dbraw/zinc/98/89/63/504988963.db2.gz HFGDDVQFINQTPG-UHFFFAOYSA-N 0 3 356.429 3.377 20 30 FGEDHN C[C@@]1(CNC(=O)NCc2ccc(C#N)s2)CCCN1Cc1ccccc1 ZINC000562930759 504991009 /nfs/dbraw/zinc/99/10/09/504991009.db2.gz MHYPFQUBHFEIRH-FQEVSTJZSA-N 0 3 368.506 3.474 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000565816072 504996266 /nfs/dbraw/zinc/99/62/66/504996266.db2.gz LXKQVPYXVVEPTD-CWJKEVGVSA-N 0 3 369.509 3.337 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1cscc1C#N)c1ccccc1 ZINC000550693935 505085372 /nfs/dbraw/zinc/08/53/72/505085372.db2.gz XMCHAWKAPMNXEH-GOSISDBHSA-N 0 3 357.479 3.059 20 30 FGEDHN CN1CC[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 ZINC000550714437 505089110 /nfs/dbraw/zinc/08/91/10/505089110.db2.gz UYFYMXBZFAKESD-BHDDXSALSA-N 0 3 374.488 3.089 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000560540601 505120072 /nfs/dbraw/zinc/12/00/72/505120072.db2.gz QXOHRMNZANXDKH-SESVDKBCSA-N 0 3 363.461 3.438 20 30 FGEDHN COc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1OCCCC#N ZINC000560568378 505128670 /nfs/dbraw/zinc/12/86/70/505128670.db2.gz YNILVXRSJBAJQT-LJQANCHMSA-N 0 3 374.481 3.148 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cscc2C#N)N(C)C)cc1 ZINC000560649675 505153369 /nfs/dbraw/zinc/15/33/69/505153369.db2.gz RUNAZUVLQMUAQC-SFHVURJKSA-N 0 3 357.479 3.440 20 30 FGEDHN C=CCOCCN[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563496299 505156490 /nfs/dbraw/zinc/15/64/90/505156490.db2.gz XKHSNRDOSCCHJN-FUHWJXTLSA-N 0 3 354.853 3.322 20 30 FGEDHN COc1ccc(C#N)cc1CN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000551096488 505156496 /nfs/dbraw/zinc/15/64/96/505156496.db2.gz GPQHMCVUMFLEGY-ICSRJNTNSA-N 0 3 357.404 3.380 20 30 FGEDHN Cc1nsc(C)c1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000566414941 505169680 /nfs/dbraw/zinc/16/96/80/505169680.db2.gz UZAKTVPDZWLJDK-UHFFFAOYSA-N 0 3 354.479 3.482 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(c4c(F)cccc4F)CCCC3)cnc12 ZINC000551240869 505183829 /nfs/dbraw/zinc/18/38/29/505183829.db2.gz FKCQFVKODZNVRL-UHFFFAOYSA-N 0 3 367.403 3.481 20 30 FGEDHN Cc1nc(SCC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000557639961 505190399 /nfs/dbraw/zinc/19/03/99/505190399.db2.gz IHVIXLJDRSRPPN-SUMWQHHRSA-N 0 3 372.538 3.056 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)Oc2ccc(OCC)cc2)CC1 ZINC000560855583 505202142 /nfs/dbraw/zinc/20/21/42/505202142.db2.gz RJHUSPZPHBGDIE-UHFFFAOYSA-N 0 3 360.498 3.399 20 30 FGEDHN CN(CCC#N)C[C@H](O)CNCc1ccccc1-c1ccc(Cl)cc1 ZINC000563805166 505243879 /nfs/dbraw/zinc/24/38/79/505243879.db2.gz ALRKUSOSBGZPDP-LJQANCHMSA-N 0 3 357.885 3.303 20 30 FGEDHN CCC(CC)[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000554737770 505253280 /nfs/dbraw/zinc/25/32/80/505253280.db2.gz RWLULTLEJNUWAH-FQEVSTJZSA-N 0 3 371.506 3.494 20 30 FGEDHN COc1ccc(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)cc1C#N ZINC000563842461 505254682 /nfs/dbraw/zinc/25/46/82/505254682.db2.gz OBKSMJZBJVKPDK-JTSKRJEESA-N 0 3 366.461 3.109 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cc(-n2ccnc2)cs1 ZINC000554885481 505289811 /nfs/dbraw/zinc/28/98/11/505289811.db2.gz CCMFWWJDPGURCU-UHFFFAOYSA-N 0 3 352.463 3.454 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000554928937 505301538 /nfs/dbraw/zinc/30/15/38/505301538.db2.gz VAFZITACLBIYLA-JKSUJKDBSA-N 0 3 355.486 3.059 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000561424535 505341614 /nfs/dbraw/zinc/34/16/14/505341614.db2.gz KAPLUDPLDSCURZ-SFHVURJKSA-N 0 3 367.449 3.334 20 30 FGEDHN C=CCc1cc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc(OC)c1OC ZINC000561527657 505368932 /nfs/dbraw/zinc/36/89/32/505368932.db2.gz KHTCQGCNNUZEJF-MRXNPFEDSA-N 0 3 372.509 3.379 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000567179086 505386950 /nfs/dbraw/zinc/38/69/50/505386950.db2.gz YLGBIRKIGWIQCJ-PCCBWWKXSA-N 0 3 359.473 3.354 20 30 FGEDHN COC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1C#N ZINC000555254861 505392430 /nfs/dbraw/zinc/39/24/30/505392430.db2.gz RSJFERZQBUMZTP-OBUJGBQQSA-N 0 3 370.493 3.496 20 30 FGEDHN COC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1C#N ZINC000555254856 505392580 /nfs/dbraw/zinc/39/25/80/505392580.db2.gz RSJFERZQBUMZTP-GDVKCFTOSA-N 0 3 370.493 3.496 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000558450669 505393553 /nfs/dbraw/zinc/39/35/53/505393553.db2.gz KHFKIWLVAJGXNP-ZWKOTPCHSA-N 0 3 369.513 3.270 20 30 FGEDHN CSc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)N(C)C)cc1 ZINC000555263792 505394307 /nfs/dbraw/zinc/39/43/07/505394307.db2.gz OKMXXZOURVTJRU-QGZVFWFLSA-N 0 3 371.466 3.485 20 30 FGEDHN N#CC(C(=O)c1ccc2c(c1)CCCCC2=O)c1nnc2n1CCCCC2 ZINC000564510593 505437444 /nfs/dbraw/zinc/43/74/44/505437444.db2.gz MQYGDLZTGWGJQM-KRWDZBQOSA-N 0 3 362.433 3.404 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000552265300 505445345 /nfs/dbraw/zinc/44/53/45/505445345.db2.gz RRLYCHJARAESBQ-UHFFFAOYSA-N 0 3 369.852 3.421 20 30 FGEDHN C=CCOc1ccc(CN(C)CCn2cc(Br)cn2)cc1 ZINC000562004206 505490703 /nfs/dbraw/zinc/49/07/03/505490703.db2.gz KNRUSEFRPVGPDG-UHFFFAOYSA-N 0 3 350.260 3.342 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000555891440 505534861 /nfs/dbraw/zinc/53/48/61/505534861.db2.gz COZGCYCMHAUEJE-HINSOXJESA-N 0 3 367.474 3.268 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558951554 505536299 /nfs/dbraw/zinc/53/62/99/505536299.db2.gz UUVKYSVDSRBNJR-SZMVWBNQSA-N 0 3 365.905 3.223 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000567686283 505536851 /nfs/dbraw/zinc/53/68/51/505536851.db2.gz TZCATEKBOGLPIK-OAHLLOKOSA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccc2ncsc2c1 ZINC000564875943 505546586 /nfs/dbraw/zinc/54/65/86/505546586.db2.gz ZJJPRPWCYAIDOI-YOEHRIQHSA-N 0 3 367.474 3.453 20 30 FGEDHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599263858 506389749 /nfs/dbraw/zinc/38/97/49/506389749.db2.gz LLPRTKFNDVFQQO-INIZCTEOSA-N 0 3 357.281 3.497 20 30 FGEDHN CCN(C[C@@H](O)COc1ccccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000599270154 506391627 /nfs/dbraw/zinc/39/16/27/506391627.db2.gz AURVVSWILKQGLR-VQIMIIECSA-N 0 3 354.450 3.390 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2Cc2ccccc2Cl)CCOCC1 ZINC000599271115 506391699 /nfs/dbraw/zinc/39/16/99/506391699.db2.gz UTUMVKHWQXANGK-ZWKOTPCHSA-N 0 3 362.901 3.418 20 30 FGEDHN CCCN(Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599274222 506394417 /nfs/dbraw/zinc/39/44/17/506394417.db2.gz NYZOAPTVIGICMT-LJQANCHMSA-N 0 3 354.450 3.219 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000599285535 506396816 /nfs/dbraw/zinc/39/68/16/506396816.db2.gz UJBNMJACTSRMRD-GOSISDBHSA-N 0 3 372.415 3.456 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000608071541 506408504 /nfs/dbraw/zinc/40/85/04/506408504.db2.gz PBFHUMOXPMYBLC-CEMLEFRQSA-N 0 3 362.473 3.498 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000589006342 506409914 /nfs/dbraw/zinc/40/99/14/506409914.db2.gz CLLNBYSAPDNCBV-QAPCUYQASA-N 0 3 364.449 3.351 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC(=Cc3cccc(F)c3)CC2)CCOCC1 ZINC000599332957 506416839 /nfs/dbraw/zinc/41/68/39/506416839.db2.gz ZHVKXRKMRMNEEE-FQEVSTJZSA-N 0 3 358.457 3.376 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCOCC1 ZINC000599350728 506422476 /nfs/dbraw/zinc/42/24/76/506422476.db2.gz YYGCSTASHPRIFJ-CVEARBPZSA-N 0 3 374.378 3.480 20 30 FGEDHN COc1ccc([C@@H](NC[C@H](O)COc2ccccc2C#N)C(C)C)cc1 ZINC000599348830 506423249 /nfs/dbraw/zinc/42/32/49/506423249.db2.gz MWLZMWZXZLKGDV-RXVVDRJESA-N 0 3 354.450 3.293 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000599353280 506423642 /nfs/dbraw/zinc/42/36/42/506423642.db2.gz HIQJDBHXVMQFRA-UIFIKXQLSA-N 0 3 366.461 3.055 20 30 FGEDHN CCOC(=O)C[C@@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599356753 506426371 /nfs/dbraw/zinc/42/63/71/506426371.db2.gz GJJPVYSWCNAPAK-MGPUTAFESA-N 0 3 352.434 3.190 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612134946 506454966 /nfs/dbraw/zinc/45/49/66/506454966.db2.gz KTLMUGLCBNXAEF-YFVAEKQCSA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)CCc2ccc(Cl)cc21 ZINC000599451343 506462013 /nfs/dbraw/zinc/46/20/13/506462013.db2.gz WUFJWAGRDGTCEH-CRAIPNDOSA-N 0 3 362.901 3.373 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@H](CC#N)C2)N(C)C)cc1 ZINC000596600844 506483420 /nfs/dbraw/zinc/48/34/20/506483420.db2.gz KSPKYYZGTRTYEN-XLIONFOSSA-N 0 3 372.513 3.412 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000599570051 506504502 /nfs/dbraw/zinc/50/45/02/506504502.db2.gz SSMDBEDNUXRNJS-NQIIRXRSSA-N 0 3 351.450 3.018 20 30 FGEDHN COc1ccc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000599598877 506523364 /nfs/dbraw/zinc/52/33/64/506523364.db2.gz BFINABCLUKFXCJ-AWEZNQCLSA-N 0 3 353.422 3.255 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)N[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000593313404 506531551 /nfs/dbraw/zinc/53/15/51/506531551.db2.gz ASXKQPGDJNOFGC-HXUWFJFHSA-N 0 3 360.461 3.248 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)N2CCCC2)cc1 ZINC000612362858 506544970 /nfs/dbraw/zinc/54/49/70/506544970.db2.gz IMENUDNIFZOCCN-FPOVZHCZSA-N 0 3 354.498 3.467 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000593330131 506546692 /nfs/dbraw/zinc/54/66/92/506546692.db2.gz HPLKBPOHMFDUCN-LJQANCHMSA-N 0 3 374.488 3.496 20 30 FGEDHN N#Cc1c(F)cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000596725412 506562181 /nfs/dbraw/zinc/56/21/81/506562181.db2.gz JSHNXMCAKPEMCZ-LJQANCHMSA-N 0 3 355.388 3.403 20 30 FGEDHN CCc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000593487946 506646741 /nfs/dbraw/zinc/64/67/41/506646741.db2.gz CKBWWFGGSSQAJM-UHFFFAOYSA-N 0 3 364.493 3.394 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000589920911 506679807 /nfs/dbraw/zinc/67/98/07/506679807.db2.gz ASGKCAHKLAIVHG-QZTJIDSGSA-N 0 3 356.853 3.305 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604193968 506745422 /nfs/dbraw/zinc/74/54/22/506745422.db2.gz MNBUUUTXRHPJJJ-OAQYLSRUSA-N 0 3 370.541 3.163 20 30 FGEDHN CO[C@@H](CNC[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000583376376 506747151 /nfs/dbraw/zinc/74/71/51/506747151.db2.gz LDOHANPXPQQJEJ-ICSRJNTNSA-N 0 3 374.868 3.123 20 30 FGEDHN C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cc2n(n1)CCCC2 ZINC000593725126 506748254 /nfs/dbraw/zinc/74/82/54/506748254.db2.gz KTISJPOENASGGQ-QGZVFWFLSA-N 0 3 363.509 3.406 20 30 FGEDHN C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)COc2ccccc2O1 ZINC000600173443 506821336 /nfs/dbraw/zinc/82/13/36/506821336.db2.gz PKYATPUYDJYKRH-UTKZUKDTSA-N 0 3 350.418 3.105 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000609346730 506861681 /nfs/dbraw/zinc/86/16/81/506861681.db2.gz OFKUFMLVCITNRD-FUHIMQAGSA-N 0 3 357.498 3.341 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NCc2cccc(CN(C)C)c2)cc1 ZINC000583648663 506893890 /nfs/dbraw/zinc/89/38/90/506893890.db2.gz WVGNDDCGUBRNNW-UHFFFAOYSA-N 0 3 353.466 3.312 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032132 506896775 /nfs/dbraw/zinc/89/67/75/506896775.db2.gz DVWKZONMFMTQOL-HXUWFJFHSA-N 0 3 361.445 3.033 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H](C)C(C)(C)O)cc1OC ZINC000604764574 506933247 /nfs/dbraw/zinc/93/32/47/506933247.db2.gz BZPKJUJRDHKMJX-LLVKDONJSA-N 0 3 358.276 3.272 20 30 FGEDHN C[NH+](C)[C@H]1CCc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc21 ZINC000590744900 506934191 /nfs/dbraw/zinc/93/41/91/506934191.db2.gz IJTBBENKBZMXDQ-IBGZPJMESA-N 0 3 355.463 3.102 20 30 FGEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCO1 ZINC000609766805 506993930 /nfs/dbraw/zinc/99/39/30/506993930.db2.gz SCRLNVKGWXVOLP-UHFFFAOYSA-N 0 3 361.511 3.328 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594199429 507003172 /nfs/dbraw/zinc/00/31/72/507003172.db2.gz YZXJAORMKROBSR-CVEARBPZSA-N 0 3 362.271 3.067 20 30 FGEDHN N#Cc1cc2c(nc1N1CC[C@@]3(CCN(Cc4ccccc4)C3)C1)CCOC2 ZINC000583852959 507009325 /nfs/dbraw/zinc/00/93/25/507009325.db2.gz LZVFSDPBMGQCTE-HSZRJFAPSA-N 0 3 374.488 3.128 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230353 507026328 /nfs/dbraw/zinc/02/63/28/507026328.db2.gz HVQKJFBXXKOBHS-VGOFRKELSA-N 0 3 374.488 3.494 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)CC2 ZINC000583901400 507039038 /nfs/dbraw/zinc/03/90/38/507039038.db2.gz BRHYJUFALQVUCB-VXKWHMMOSA-N 0 3 365.452 3.348 20 30 FGEDHN CN(Cc1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1N(C)Cc1ccnc(C#N)c1 ZINC000613383443 507061711 /nfs/dbraw/zinc/06/17/11/507061711.db2.gz VBCLFEHWBGPCKB-FGZHOGPDSA-N 0 3 374.492 3.095 20 30 FGEDHN COc1ccccc1S(=O)(=O)CCCN[C@H](C)c1cccc(C#N)c1 ZINC000613383399 507061780 /nfs/dbraw/zinc/06/17/80/507061780.db2.gz LDQNSALHCQBNOU-OAHLLOKOSA-N 0 3 358.463 3.081 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000597697949 507064873 /nfs/dbraw/zinc/06/48/73/507064873.db2.gz OSJMRDMIAVWOFV-DLBZAZTESA-N 0 3 367.415 3.149 20 30 FGEDHN C[C@@H](Cc1cccc(F)c1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590971764 507067689 /nfs/dbraw/zinc/06/76/89/507067689.db2.gz LANHSWCSLCBWNP-OXJNMPFZSA-N 0 3 356.441 3.194 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000600718537 507080815 /nfs/dbraw/zinc/08/08/15/507080815.db2.gz QELBPNPABVMYMN-CQSZACIVSA-N 0 3 360.351 3.005 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)CC1(C#N)CCCCC1 ZINC000597773821 507095271 /nfs/dbraw/zinc/09/52/71/507095271.db2.gz XRSQSZIEIJKSRE-UHFFFAOYSA-N 0 3 359.470 3.438 20 30 FGEDHN CN(CCCN(C)C(=O)c1cc(C#N)ccc1Cl)Cc1ccncc1 ZINC000583999122 507095458 /nfs/dbraw/zinc/09/54/58/507095458.db2.gz WPYNRUUEKMTIHQ-UHFFFAOYSA-N 0 3 356.857 3.201 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000610132770 507110598 /nfs/dbraw/zinc/11/05/98/507110598.db2.gz CHZDPXVVNJDMQO-OALUTQOASA-N 0 3 363.461 3.014 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000584048741 507123545 /nfs/dbraw/zinc/12/35/45/507123545.db2.gz FELVJGUBXDTDGM-NQIIRXRSSA-N 0 3 354.425 3.299 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C ZINC000610177708 507128477 /nfs/dbraw/zinc/12/84/77/507128477.db2.gz BNSZEDYMEJHUIX-QAPCUYQASA-N 0 3 364.449 3.300 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000594430953 507129449 /nfs/dbraw/zinc/12/94/49/507129449.db2.gz DVIFQQCUZCXRNQ-KRWDZBQOSA-N 0 3 371.481 3.145 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000594434441 507131531 /nfs/dbraw/zinc/13/15/31/507131531.db2.gz ZIEJJLDLQZPWQK-CYBMUJFWSA-N 0 3 363.874 3.132 20 30 FGEDHN Cc1ccc(C(=O)NCCNCc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000594496085 507155856 /nfs/dbraw/zinc/15/58/56/507155856.db2.gz ZNASMKDJFUTDED-UHFFFAOYSA-N 0 3 353.441 3.455 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCCNC(=O)c2c(F)cccc2F)cc1 ZINC000594503506 507159756 /nfs/dbraw/zinc/15/97/56/507159756.db2.gz YLAURIJXEDSJBD-UHFFFAOYSA-N 0 3 357.404 3.286 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2cc(C#N)nc3ccccc32)cc1 ZINC000610276084 507172795 /nfs/dbraw/zinc/17/27/95/507172795.db2.gz KHVSBZAHNWJXAF-UHFFFAOYSA-N 0 3 360.461 3.123 20 30 FGEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000597926103 507177878 /nfs/dbraw/zinc/17/78/78/507177878.db2.gz VEXCCIOMHXFRAW-MRXNPFEDSA-N 0 3 367.449 3.333 20 30 FGEDHN C[C@H](N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000594551609 507181989 /nfs/dbraw/zinc/18/19/89/507181989.db2.gz MFMPBIOMFFBFSR-VDGAXYAQSA-N 0 3 372.488 3.067 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)c1cccc(C#N)c1 ZINC000610348683 507206147 /nfs/dbraw/zinc/20/61/47/507206147.db2.gz RTHPJJSGKGMWCV-INIZCTEOSA-N 0 3 366.465 3.059 20 30 FGEDHN N#Cc1ccccc1OCc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000594650655 507221114 /nfs/dbraw/zinc/22/11/14/507221114.db2.gz ZJBNCLMDWCJLTR-FQEVSTJZSA-N 0 3 359.433 3.176 20 30 FGEDHN N#CCc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000601020699 507230675 /nfs/dbraw/zinc/23/06/75/507230675.db2.gz ZXKKXIPPTXLUCI-UHFFFAOYSA-N 0 3 359.473 3.416 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451276 507245055 /nfs/dbraw/zinc/24/50/55/507245055.db2.gz MBUMWJXITNBMJK-XQBPLPMBSA-N 0 3 370.541 3.026 20 30 FGEDHN COc1ccc(CNc2ccc(CN3CCC(O)CC3)cc2)cc1C#N ZINC000610480151 507256432 /nfs/dbraw/zinc/25/64/32/507256432.db2.gz VMMXIWNDWYRKKH-UHFFFAOYSA-N 0 3 351.450 3.136 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ncc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000610542449 507282223 /nfs/dbraw/zinc/28/22/23/507282223.db2.gz MUFNEXXAOMSBGD-GASCZTMLSA-N 0 3 362.905 3.322 20 30 FGEDHN C[C@H](COc1c(F)cccc1F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598153451 507283185 /nfs/dbraw/zinc/28/31/85/507283185.db2.gz KUCIWONGGUFXCS-CJNGLKHVSA-N 0 3 369.371 3.102 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000598194801 507306378 /nfs/dbraw/zinc/30/63/78/507306378.db2.gz ITPQMFGDWWAVTH-IBGZPJMESA-N 0 3 365.452 3.015 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000598232510 507333955 /nfs/dbraw/zinc/33/39/55/507333955.db2.gz YLZOYFVNCLCBSC-QUCCMNQESA-N 0 3 352.409 3.498 20 30 FGEDHN COc1ccc(N2C[C@H](NCc3ccc(C(C)(C)C#N)cc3)CC2=O)cc1 ZINC000594967352 507334546 /nfs/dbraw/zinc/33/45/46/507334546.db2.gz WVPMHBSXWULUBZ-GOSISDBHSA-N 0 3 363.461 3.391 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000591762641 507352362 /nfs/dbraw/zinc/35/23/62/507352362.db2.gz OOATXUXKHAECKE-UYAOXDASSA-N 0 3 368.502 3.333 20 30 FGEDHN Cc1cc2ncn(C[C@H](O)CN[C@@H]3CCc4cc(C#N)ccc43)c2cc1C ZINC000591763882 507352778 /nfs/dbraw/zinc/35/27/78/507352778.db2.gz PDYRVOXMCOIDMH-UYAOXDASSA-N 0 3 360.461 3.163 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614179368 507396725 /nfs/dbraw/zinc/39/67/25/507396725.db2.gz PYFFNDXSQKSAQV-OAHLLOKOSA-N 0 3 371.506 3.247 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000598506318 507463625 /nfs/dbraw/zinc/46/36/25/507463625.db2.gz DYDXUDFCMCBVEJ-BMFZPTHFSA-N 0 3 354.372 3.327 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(OCc3cscn3)c2)CC1 ZINC000592069433 507474345 /nfs/dbraw/zinc/47/43/45/507474345.db2.gz KPKVAQLLAOQICA-UHFFFAOYSA-N 0 3 357.479 3.102 20 30 FGEDHN N#Cc1ccc(CCN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000595371876 507474544 /nfs/dbraw/zinc/47/45/44/507474544.db2.gz UXKJGXAJNARICV-IBGZPJMESA-N 0 3 352.413 3.136 20 30 FGEDHN CSCC[C@@H](NCCc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000595430751 507493613 /nfs/dbraw/zinc/49/36/13/507493613.db2.gz KWNADFXVLCOIGK-QGZVFWFLSA-N 0 3 351.479 3.227 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592181922 507526685 /nfs/dbraw/zinc/52/66/85/507526685.db2.gz JJELCKLRQKQOHO-IRXDYDNUSA-N 0 3 373.472 3.352 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592185429 507527099 /nfs/dbraw/zinc/52/70/99/507527099.db2.gz ZEZQOFRGFLZWEU-BKVYSMKUSA-N 0 3 361.530 3.197 20 30 FGEDHN CN(C)C[C@H](NC(=O)NCC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000584845397 507537185 /nfs/dbraw/zinc/53/71/85/507537185.db2.gz HXORGAVJOZIPSP-IBGZPJMESA-N 0 3 373.859 3.433 20 30 FGEDHN CN(Cc1ccccc1)C[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245240 507577351 /nfs/dbraw/zinc/57/73/51/507577351.db2.gz FTTPPRSMZMQMSS-HSZRJFAPSA-N 0 3 361.489 3.140 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCOc3c(CC)cccc32)CC1 ZINC000592297456 507600542 /nfs/dbraw/zinc/60/05/42/507600542.db2.gz QOYYZVAPTWFXFC-IBGZPJMESA-N 0 3 357.498 3.412 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000592303822 507602109 /nfs/dbraw/zinc/60/21/09/507602109.db2.gz RXQVORDMWLJUEB-HNNXBMFYSA-N 0 3 361.486 3.105 20 30 FGEDHN N#Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1Cl ZINC000598800385 507606828 /nfs/dbraw/zinc/60/68/28/507606828.db2.gz PMCQIHHJVIMSME-RYUDHWBXSA-N 0 3 362.735 3.134 20 30 FGEDHN Cc1sc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c(C#N)c1C ZINC000598800830 507607241 /nfs/dbraw/zinc/60/72/41/507607241.db2.gz BJUHWLKHVHNNGS-PWSUYJOCSA-N 0 3 362.373 3.159 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000611391840 507659330 /nfs/dbraw/zinc/65/93/30/507659330.db2.gz BEGLKAVCCNDKPE-MGPUTAFESA-N 0 3 358.388 3.243 20 30 FGEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393161 507659743 /nfs/dbraw/zinc/65/97/43/507659743.db2.gz MBQZXKQXDZRLPP-VXKWHMMOSA-N 0 3 372.472 3.364 20 30 FGEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CCOCC1)Cc1ccccc1 ZINC000595770236 507677902 /nfs/dbraw/zinc/67/79/02/507677902.db2.gz WKLRZKGZGQGVIA-NRFANRHFSA-N 0 3 350.462 3.411 20 30 FGEDHN Cc1sc2nc(CN3CCN(C[C@@H](C)CCC#N)CC3)[nH]c(=O)c2c1C ZINC000602432479 507709153 /nfs/dbraw/zinc/70/91/53/507709153.db2.gz MCOLNEHFSDWHEJ-ZDUSSCGKSA-N 0 3 373.526 3.071 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NC[C@H]3CCOc4ccccc43)C2=O)cc1 ZINC000611509149 507712687 /nfs/dbraw/zinc/71/26/87/507712687.db2.gz KRPZFXQMVHIMPX-XLIONFOSSA-N 0 3 361.445 3.210 20 30 FGEDHN CN(CCC(=O)N[C@@H](C#N)c1ccccc1Br)c1ccncc1 ZINC000611528393 507722768 /nfs/dbraw/zinc/72/27/68/507722768.db2.gz ONZBAEIPYPZWJL-INIZCTEOSA-N 0 3 373.254 3.051 20 30 FGEDHN N#Cc1cccc(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000602525486 507736980 /nfs/dbraw/zinc/73/69/80/507736980.db2.gz IDLXNQNDELIRFL-CQSZACIVSA-N 0 3 371.282 3.332 20 30 FGEDHN CC(C)CN(Cc1ccccc1Br)C(=O)[C@H](N)CCCC#N ZINC000602526328 507738750 /nfs/dbraw/zinc/73/87/50/507738750.db2.gz VHCPRWSIYWTYSX-MRXNPFEDSA-N 0 3 366.303 3.455 20 30 FGEDHN CC1(C)C[C@]1(NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000595911829 507738541 /nfs/dbraw/zinc/73/85/41/507738541.db2.gz ZEJGJHSNOQFYQJ-UGKGYDQZSA-N 0 3 350.462 3.407 20 30 FGEDHN N#Cc1cc2c(nc1NC[C@H]1CN(Cc3ccccc3)CCCO1)CCC2 ZINC000390843327 568320396 /nfs/dbraw/zinc/32/03/96/568320396.db2.gz AFZDBHOIXNXXDT-FQEVSTJZSA-N 0 3 362.477 3.145 20 30 FGEDHN C=CC[N@H+](CCCOc1cccc(C#N)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743358 606888328 /nfs/dbraw/zinc/88/83/28/606888328.db2.gz HGXLHKGBGSKVPX-UHFFFAOYSA-N 0 3 374.448 3.195 20 30 FGEDHN C=CC[N@@H+](CCCOc1cccc(C#N)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743358 606888330 /nfs/dbraw/zinc/88/83/30/606888330.db2.gz HGXLHKGBGSKVPX-UHFFFAOYSA-N 0 3 374.448 3.195 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000108711241 700527683 /nfs/dbraw/zinc/52/76/83/700527683.db2.gz PRBBBANHYZDWAX-LJQANCHMSA-N 0 3 356.466 3.438 20 30 FGEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000125202661 700732117 /nfs/dbraw/zinc/73/21/17/700732117.db2.gz KEGXVJMBRJVJGA-CYBMUJFWSA-N 0 3 371.264 3.178 20 30 FGEDHN Cc1cc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)ccc1Cl ZINC000125229661 700732631 /nfs/dbraw/zinc/73/26/31/700732631.db2.gz NCMZVQZTYJJVFX-OCCSQVGLSA-N 0 3 357.797 3.158 20 30 FGEDHN C#CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000159087228 705210521 /nfs/dbraw/zinc/21/05/21/705210521.db2.gz YYNQFVGYRGSJTG-SFHVURJKSA-N 0 3 354.475 3.327 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(C)n2)cc1Cl ZINC000193477911 712892803 /nfs/dbraw/zinc/89/28/03/712892803.db2.gz QEVQRFVWOOMICJ-LBPRGKRZSA-N 0 3 363.826 3.004 20 30 FGEDHN C[C@@]1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCOC1 ZINC000329570611 713830550 /nfs/dbraw/zinc/83/05/50/713830550.db2.gz UOJACKBABXNXDH-IBGZPJMESA-N 0 3 363.527 3.030 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000523523966 714239404 /nfs/dbraw/zinc/23/94/04/714239404.db2.gz FMYBWRAVOHQKTH-CYBMUJFWSA-N 0 3 356.388 3.484 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000625322928 715705948 /nfs/dbraw/zinc/70/59/48/715705948.db2.gz NPIULZZQEUWJDO-UHFFFAOYSA-N 0 3 367.287 3.228 20 30 FGEDHN C#CCN1CCC(c2nc(-c3cc(Cl)c(O)c(OCC)c3)no2)CC1 ZINC000771110604 723728057 /nfs/dbraw/zinc/72/80/57/723728057.db2.gz WYYQKAMOOMLGQQ-UHFFFAOYSA-N 0 3 361.829 3.307 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCOC2)cc1OCC ZINC000643802354 718053784 /nfs/dbraw/zinc/05/37/84/718053784.db2.gz RYRQCZGMIUJEBV-CYBMUJFWSA-N 0 3 356.260 3.291 20 30 FGEDHN CCn1cc(CC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000781449339 724565351 /nfs/dbraw/zinc/56/53/51/724565351.db2.gz ZQYQZAJQEHEODF-AWEZNQCLSA-N 0 3 365.220 3.100 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@H](O)C2)cc1OCC ZINC000657806613 719715639 /nfs/dbraw/zinc/71/56/39/719715639.db2.gz OHZGVOLDTQYBAB-JOCQHMNTSA-N 0 3 356.260 3.026 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000664014958 720586485 /nfs/dbraw/zinc/58/64/85/720586485.db2.gz BFTGQVKDLDBWBA-QGZVFWFLSA-N 0 3 365.543 3.147 20 30 FGEDHN N#Cc1c(Cl)ccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900526 721522120 /nfs/dbraw/zinc/52/21/20/721522120.db2.gz RUXPZUBPVKLLOE-ZBFHGGJFSA-N 0 3 372.831 3.088 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000679831578 722049318 /nfs/dbraw/zinc/04/93/18/722049318.db2.gz CTZYRXTZJZTYJC-MOPGFXCFSA-N 0 3 361.869 3.131 20 30 FGEDHN CC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C1CCCC1 ZINC000730420353 722468270 /nfs/dbraw/zinc/46/82/70/722468270.db2.gz CHLUPYQREBUKCZ-BBRMVZONSA-N 0 3 359.426 3.307 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccn(C(C)C)n2)cc1Cl ZINC000733679277 722500078 /nfs/dbraw/zinc/50/00/78/722500078.db2.gz FNMBNDOXNGNMDF-LBPRGKRZSA-N 0 3 360.801 3.087 20 30 FGEDHN COC1CCC(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000734488148 722507769 /nfs/dbraw/zinc/50/77/69/722507769.db2.gz ZSIIWHGFELKWAO-NRXISQOPSA-N 0 3 357.479 3.362 20 30 FGEDHN Cc1nn(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)c(C)c1Cl ZINC000750392801 722765701 /nfs/dbraw/zinc/76/57/01/722765701.db2.gz TUUKDFXNTWAGGF-NSHDSACASA-N 0 3 365.220 3.154 20 30 FGEDHN C=CCOc1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1Cl ZINC000754081983 722926460 /nfs/dbraw/zinc/92/64/60/722926460.db2.gz QQLPVTNIJJBQOY-HKUYNNGSSA-N 0 3 361.869 3.479 20 30 FGEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000762050987 723210352 /nfs/dbraw/zinc/21/03/52/723210352.db2.gz GZAGEUPSGAPSIW-DTWKUNHWSA-N 0 3 365.361 3.009 20 30 FGEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000762050988 723210610 /nfs/dbraw/zinc/21/06/10/723210610.db2.gz GZAGEUPSGAPSIW-IUCAKERBSA-N 0 3 365.361 3.009 20 30 FGEDHN CCn1ccc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000792316268 723327973 /nfs/dbraw/zinc/32/79/73/723327973.db2.gz UABJRBZPGTXZDX-OAHLLOKOSA-N 0 3 352.463 3.426 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=S)Nc1ccccc1C#N ZINC000764930612 723460521 /nfs/dbraw/zinc/46/05/21/723460521.db2.gz MSGRNXCZVNMHDL-BEFAXECRSA-N 0 3 350.491 3.365 20 30 FGEDHN CCOC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000794641698 723537650 /nfs/dbraw/zinc/53/76/50/723537650.db2.gz LYWXUUQSNGCGTF-AWEZNQCLSA-N 0 3 357.479 3.364 20 30 FGEDHN C#CCN(CCn1ccnc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244358 723564284 /nfs/dbraw/zinc/56/42/84/723564284.db2.gz USKSNWBENWXOJK-KRWDZBQOSA-N 0 3 374.282 3.413 20 30 FGEDHN Cn1ccc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000796743695 723652872 /nfs/dbraw/zinc/65/28/72/723652872.db2.gz FXAKJIKWMKXSBG-LBPRGKRZSA-N 0 3 365.220 3.007 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(F)(F)F)cc1OC ZINC000771261861 723731398 /nfs/dbraw/zinc/73/13/98/723731398.db2.gz RYRJSNMVBRGZPT-NSHDSACASA-N 0 3 358.316 3.084 20 30 FGEDHN CCCC[C@H](NC(=O)NCC)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000771564983 723737757 /nfs/dbraw/zinc/73/77/57/723737757.db2.gz HBYVUMUDRAKRKC-OCCSQVGLSA-N 0 3 358.467 3.350 20 30 FGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)SC)cc1 ZINC000773772504 723822242 /nfs/dbraw/zinc/82/22/42/723822242.db2.gz WBLPVNIWWIXPNF-SWLSCSKDSA-N 0 3 362.451 3.042 20 30 FGEDHN C#CCCCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775527671 723998554 /nfs/dbraw/zinc/99/85/54/723998554.db2.gz SDFGKZXRLRKZAJ-AWEZNQCLSA-N 0 3 356.285 3.061 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCCCNC(=O)c1occc1C ZINC000778169133 724305980 /nfs/dbraw/zinc/30/59/80/724305980.db2.gz PHKDYGAWFAWIEI-UHFFFAOYSA-N 0 3 360.841 3.163 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCOCC1 ZINC000786314549 724972547 /nfs/dbraw/zinc/97/25/47/724972547.db2.gz ZWIMWGRAVVTZTM-QMTHXVAHSA-N 0 3 355.221 3.457 20 30 FGEDHN C#C[C@@H](NC(=O)NC1CCN(CC(=C)C)CC1)c1ccc(Cl)cc1F ZINC000805080165 725048654 /nfs/dbraw/zinc/04/86/54/725048654.db2.gz DPHSHWGMGPMLMF-GOSISDBHSA-N 0 3 363.864 3.493 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN(C)CCn2cc(Br)cn2)cc1 ZINC000809792599 725268973 /nfs/dbraw/zinc/26/89/73/725268973.db2.gz BPIGXRLLFNMBSV-CYBMUJFWSA-N 0 3 363.259 3.068 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1Cl ZINC000810533718 725313101 /nfs/dbraw/zinc/31/31/01/725313101.db2.gz UKXQQWXWLZZUPK-ZYHUDNBSSA-N 0 3 352.843 3.139 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2Cl)OC)CC1 ZINC000812032295 725387762 /nfs/dbraw/zinc/38/77/62/725387762.db2.gz IGQICCGLOMOALU-UHFFFAOYSA-N 0 3 351.878 3.454 20 30 FGEDHN COc1cc(Cl)cc(C(=O)C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000815909086 727106535 /nfs/dbraw/zinc/10/65/35/727106535.db2.gz QMLQOJKDNYYXSI-CQSZACIVSA-N 0 3 358.781 3.318 20 30 FGEDHN N#CC(C(=O)CCc1cncs1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815909069 727106644 /nfs/dbraw/zinc/10/66/44/727106644.db2.gz QAHCCRSBYPJBPT-NSHDSACASA-N 0 3 351.790 3.216 20 30 FGEDHN C#CCN(C)CCCNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000818606596 727316479 /nfs/dbraw/zinc/31/64/79/727316479.db2.gz YPODMHOQVFBYPA-QINSGFPZSA-N 0 3 358.791 3.357 20 30 FGEDHN C#CCN(C)CCCNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000818602984 727316529 /nfs/dbraw/zinc/31/65/29/727316529.db2.gz KWNGXKHJBHCILM-OBGWFSINSA-N 0 3 356.466 3.499 20 30 FGEDHN C#Cc1cccc(N(CC)C(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000825980093 729401469 /nfs/dbraw/zinc/40/14/69/729401469.db2.gz QUPQMOUAWMJUKR-HZPDHXFCSA-N 0 3 355.356 3.005 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000835057868 729854061 /nfs/dbraw/zinc/85/40/61/729854061.db2.gz UXRPRJPULRDLNH-HUUCEWRRSA-N 0 3 360.479 3.335 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cnn(C)c1 ZINC000842288997 730481041 /nfs/dbraw/zinc/48/10/41/730481041.db2.gz NCHXIQQCQMPNBT-GWCFXTLKSA-N 0 3 362.792 3.054 20 30 FGEDHN CC[C@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842289717 730481315 /nfs/dbraw/zinc/48/13/15/730481315.db2.gz SLEMRGJSALODJX-DOMZBBRYSA-N 0 3 363.255 3.005 20 30 FGEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000842343753 730488075 /nfs/dbraw/zinc/48/80/75/730488075.db2.gz SSQXFCFLIJLBLW-SJORKVTESA-N 0 3 362.857 3.403 20 30 FGEDHN CCn1ccc(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000845442083 730850531 /nfs/dbraw/zinc/85/05/31/730850531.db2.gz KGFRBFYOJGBELW-GFCCVEGCSA-N 0 3 365.220 3.100 20 30 FGEDHN C#C[C@H]1CCCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000847021944 731008267 /nfs/dbraw/zinc/00/82/67/731008267.db2.gz DEPWBUZHXSPTLM-CABCVRRESA-N 0 3 363.299 3.141 20 30 FGEDHN C#C[C@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000847158512 731027449 /nfs/dbraw/zinc/02/74/49/731027449.db2.gz QEIFYFCRGZDNAG-KRWDZBQOSA-N 0 3 357.523 3.155 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848351490 731158194 /nfs/dbraw/zinc/15/81/94/731158194.db2.gz DOTIDZAGFYLWBT-DLBZAZTESA-N 0 3 350.384 3.190 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1Cl ZINC000850761744 731386215 /nfs/dbraw/zinc/38/62/15/731386215.db2.gz RLEMZVZTXWAFJC-TYNCELHUSA-N 0 3 364.829 3.200 20 30 FGEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000850978458 731408459 /nfs/dbraw/zinc/40/84/59/731408459.db2.gz STLRLPMWTRTNRE-GIPNMCIBSA-N 0 3 352.221 3.429 20 30 FGEDHN C=C(Br)CN1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856598204 732040595 /nfs/dbraw/zinc/04/05/95/732040595.db2.gz GJNKUPFBDNAPBI-KRWDZBQOSA-N 0 3 368.319 3.284 20 30 FGEDHN C=CCOCCN1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606965 732359847 /nfs/dbraw/zinc/35/98/47/732359847.db2.gz UAHNFEZWZAJZHA-KBPBESRZSA-N 0 3 366.424 3.214 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCN1C1CCCC1 ZINC000863033931 732907244 /nfs/dbraw/zinc/90/72/44/732907244.db2.gz ZFVFLCJMBWJKOQ-KRWDZBQOSA-N 0 3 350.384 3.190 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000876568390 736115013 /nfs/dbraw/zinc/11/50/13/736115013.db2.gz LSHCOMSVMXMVKI-GFCCVEGCSA-N 0 3 355.916 3.309 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000876648572 736126521 /nfs/dbraw/zinc/12/65/21/736126521.db2.gz CEXALOXCYYXVGB-HNNXBMFYSA-N 0 3 370.280 3.375 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000876757687 736140741 /nfs/dbraw/zinc/14/07/41/736140741.db2.gz FLRHHOACKKAUSG-INIZCTEOSA-N 0 3 364.902 3.184 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnn(-c2ccc(F)cc2)c1CCC ZINC000876909909 736161238 /nfs/dbraw/zinc/16/12/38/736161238.db2.gz MICBOWYHLYMIHI-CQSZACIVSA-N 0 3 350.825 3.372 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnn(-c2cccc(Cl)c2)c1CC ZINC000876909717 736161502 /nfs/dbraw/zinc/16/15/02/736161502.db2.gz GDJLMHHQWGOKBT-ZDUSSCGKSA-N 0 3 353.253 3.497 20 30 FGEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877477301 736224349 /nfs/dbraw/zinc/22/43/49/736224349.db2.gz COJLPNNHHITDRO-WFASDCNBSA-N 0 3 364.877 3.342 20 30 FGEDHN C[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCN1C(=O)OC(C)(C)C ZINC000877483143 736226315 /nfs/dbraw/zinc/22/63/15/736226315.db2.gz KILYSXHGZDWOCC-WFASDCNBSA-N 0 3 364.877 3.484 20 30 FGEDHN N#CCOc1ccc(Cl)cc1CN[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000878873209 736927892 /nfs/dbraw/zinc/92/78/92/736927892.db2.gz IXRXGACPVLVTBZ-QZTJIDSGSA-N 0 3 364.873 3.042 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880714014 737208859 /nfs/dbraw/zinc/20/88/59/737208859.db2.gz FGCZLUQDZLEPCO-UHFFFAOYSA-N 0 3 364.421 3.494 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2sccc2Br)CC1 ZINC000883343781 737555993 /nfs/dbraw/zinc/55/59/93/737555993.db2.gz ZLZAUDBDRWUQDZ-UHFFFAOYSA-N 0 3 372.332 3.003 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCC[C@@H]1Cc1ccccc1Cl)C2 ZINC000884102066 737633297 /nfs/dbraw/zinc/63/32/97/737633297.db2.gz QOHWPJAPVLEIFD-MUZJZNNISA-N 0 3 357.885 3.013 20 30 FGEDHN Cc1nsc(N(C)C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000891434720 739902765 /nfs/dbraw/zinc/90/27/65/739902765.db2.gz VAPSBMRVISEEDT-MRXNPFEDSA-N 0 3 354.479 3.198 20 30 FGEDHN N#CC(C(=O)C[C@H]1CCc2sccc2C1=O)C(=O)NC1CCCCC1 ZINC000892491837 740006051 /nfs/dbraw/zinc/00/60/51/740006051.db2.gz NZVOBAKOYBQAQU-IUODEOHRSA-N 0 3 358.463 3.041 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)C2(C#N)CCOCC2)cc1C(F)(F)F ZINC000894982915 742360537 /nfs/dbraw/zinc/36/05/37/742360537.db2.gz LKUWQKZXOWHKKD-UHFFFAOYSA-N 0 3 355.360 3.026 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)n2C)cc1C(F)(F)F ZINC000894985493 742361119 /nfs/dbraw/zinc/36/11/19/742361119.db2.gz QGTWUHPRZNLLLV-UHFFFAOYSA-N 0 3 350.344 3.229 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2CC23CC(O)C3)cc1OC ZINC000897855194 742719508 /nfs/dbraw/zinc/71/95/08/742719508.db2.gz WCIVCDMIPNXKQF-VXKCQOAXSA-N 0 3 368.271 3.026 20 30 FGEDHN N#CC(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CCCC1 ZINC000916866837 758146699 /nfs/dbraw/zinc/14/66/99/758146699.db2.gz JLQZRDSKFGVCBQ-HNNXBMFYSA-N 0 3 373.865 3.337 20 30 FGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CSC(C)(C)C)cc1 ZINC000916941696 758155073 /nfs/dbraw/zinc/15/50/73/758155073.db2.gz BCEMYOBYTSHUNS-AWEZNQCLSA-N 0 3 362.451 3.042 20 30 FGEDHN C[C@@H](NCc1csc(C#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000921689425 758770684 /nfs/dbraw/zinc/77/06/84/758770684.db2.gz IQJRMXNRTHSFNN-CQSZACIVSA-N 0 3 358.486 3.361 20 30 FGEDHN Cc1nn(C)c(CNC2CCC(Oc3ccc(C#N)cn3)CC2)c1Cl ZINC000921957668 758828188 /nfs/dbraw/zinc/82/81/88/758828188.db2.gz RRODEXGZXAVMNH-UHFFFAOYSA-N 0 3 359.861 3.128 20 30 FGEDHN COCCC1(C(=O)OCc2cc(Cl)cc(C#N)c2)CCN(C)CC1 ZINC000922827415 759011689 /nfs/dbraw/zinc/01/16/89/759011689.db2.gz RAWILFKRFXPFOP-UHFFFAOYSA-N 0 3 350.846 3.003 20 30 FGEDHN N#CC1CCC(CN2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000929205924 760338658 /nfs/dbraw/zinc/33/86/58/760338658.db2.gz XIIQBOKMSKMNJM-UHFFFAOYSA-N 0 3 363.303 3.296 20 30 FGEDHN C[C@H](CCC#N)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931001924 760749785 /nfs/dbraw/zinc/74/97/85/760749785.db2.gz SMFBIUUESPBQOA-CYBMUJFWSA-N 0 3 354.376 3.134 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998131542 765100073 /nfs/dbraw/zinc/10/00/73/765100073.db2.gz UFSJNLWPHNJYNC-XHSDSOJGSA-N 0 3 362.436 3.233 20 30 FGEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000998985797 765129827 /nfs/dbraw/zinc/12/98/27/765129827.db2.gz CCFQJRUYKDUYCT-PFSRBDOWSA-N 0 3 369.328 3.339 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001000158112 765201321 /nfs/dbraw/zinc/20/13/21/765201321.db2.gz PWCUDGPZCATFEF-KSZLIROESA-N 0 3 352.494 3.077 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001022071504 765971750 /nfs/dbraw/zinc/97/17/50/765971750.db2.gz RBCNTXRYBSHSGR-XJFOESAGSA-N 0 3 369.328 3.305 20 30 FGEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001024617525 766059389 /nfs/dbraw/zinc/05/93/89/766059389.db2.gz IGFWOIYRGHDDOO-RRFJBIMHSA-N 0 3 350.915 3.499 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001040706598 766319270 /nfs/dbraw/zinc/31/92/70/766319270.db2.gz XYEQPJBDUZAFIQ-PIUXTAMUSA-N 0 3 352.906 3.035 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(Cc2cc(C)sc2C)C1 ZINC001046325773 766584402 /nfs/dbraw/zinc/58/44/02/766584402.db2.gz CVRMYXCZKGMHDW-HBFSDRIKSA-N 0 3 362.539 3.427 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001050694219 766853392 /nfs/dbraw/zinc/85/33/92/766853392.db2.gz PGHAUBGCMPQFHG-SQNIBIBYSA-N 0 3 352.494 3.030 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001052775881 766924159 /nfs/dbraw/zinc/92/41/59/766924159.db2.gz YTTVBDMKBHGJJA-PMPSAXMXSA-N 0 3 362.436 3.281 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047671753 257342373 /nfs/dbraw/zinc/34/23/73/257342373.db2.gz OKUBEVCULHFHFA-UHFFFAOYSA-N 0 3 367.409 3.062 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000594431874 507129800 /nfs/dbraw/zinc/12/98/00/507129800.db2.gz RMBYTPUVRCSYDK-OAHLLOKOSA-N 0 3 364.287 3.356 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CNCc2sc(C)nc2C)c(OC)c1 ZINC000570955780 505620007 /nfs/dbraw/zinc/62/00/07/505620007.db2.gz HEGMPPITEURSHB-MRXNPFEDSA-N 0 3 362.495 3.027 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H](c1cccs1)N1CCOCC1)CC2 ZINC000573827830 505630270 /nfs/dbraw/zinc/63/02/70/505630270.db2.gz ULWQJKIGGSPBFU-MOPGFXCFSA-N 0 3 353.491 3.270 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000571082762 505649627 /nfs/dbraw/zinc/64/96/27/505649627.db2.gz WEUDWFBUWYVJRQ-SJORKVTESA-N 0 3 350.466 3.439 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000048039915 493776197 /nfs/dbraw/zinc/77/61/97/493776197.db2.gz UKNXGAHVNWRHMJ-JOCHJYFZSA-N 0 3 363.461 3.332 20 30 FGEDHN C[C@H](OCc1ccccc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310253 493794409 /nfs/dbraw/zinc/79/44/09/493794409.db2.gz SLUBIPJCOFTPGK-SFHVURJKSA-N 0 3 365.477 3.054 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068313574 493795743 /nfs/dbraw/zinc/79/57/43/493795743.db2.gz ZEHAOZACHIHFDC-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000028922082 493808794 /nfs/dbraw/zinc/80/87/94/493808794.db2.gz QNXFQJYDSPREBJ-ZFWWWQNUSA-N 0 3 362.376 3.250 20 30 FGEDHN C#Cc1cccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000068555891 493840942 /nfs/dbraw/zinc/84/09/42/493840942.db2.gz NJNHBLAAPIYCGA-CALCHBBNSA-N 0 3 355.482 3.021 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1OC ZINC000058297642 493843407 /nfs/dbraw/zinc/84/34/07/493843407.db2.gz PDSCSFYVJJTRFW-UHFFFAOYSA-N 0 3 354.450 3.468 20 30 FGEDHN N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](N4CCCC4)C3)o2)cc1 ZINC000076209488 493845623 /nfs/dbraw/zinc/84/56/23/493845623.db2.gz PRWDQVHEQYSLQW-KRWDZBQOSA-N 0 3 365.433 3.041 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-c2n[nH]c(C)n2)cc1)C(C)C ZINC000081396302 493886763 /nfs/dbraw/zinc/88/67/63/493886763.db2.gz RFUDCDIEAGSIDY-IBGZPJMESA-N 0 3 367.497 3.209 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000030535819 493895998 /nfs/dbraw/zinc/89/59/98/493895998.db2.gz XNPALZMULLVFDE-MAUKXSAKSA-N 0 3 355.434 3.234 20 30 FGEDHN COc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000068991254 493903478 /nfs/dbraw/zinc/90/34/78/493903478.db2.gz VRQIQMCPZALMCQ-KRWDZBQOSA-N 0 3 369.440 3.473 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(COCCOCCCC)c2)CC1 ZINC000069046487 493913104 /nfs/dbraw/zinc/91/31/04/493913104.db2.gz QGFNZKNXAGGSRN-UHFFFAOYSA-N 0 3 372.509 3.304 20 30 FGEDHN COc1ccc(COC[C@H](O)CN(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000069071013 493914509 /nfs/dbraw/zinc/91/45/09/493914509.db2.gz BXYFWGASSLVWKF-OAQYLSRUSA-N 0 3 368.477 3.355 20 30 FGEDHN CCN(C[C@@H]1CCN(CCOc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000081558109 493915442 /nfs/dbraw/zinc/91/54/42/493915442.db2.gz XWQPZZZGZGOXIH-INIZCTEOSA-N 0 3 355.404 3.143 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000060466942 493937200 /nfs/dbraw/zinc/93/72/00/493937200.db2.gz RWQOHYIJOOQXNH-SFHVURJKSA-N 0 3 365.481 3.135 20 30 FGEDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477402 493938216 /nfs/dbraw/zinc/93/82/16/493938216.db2.gz UDPAQJQKRSAISQ-DNVCBOLYSA-N 0 3 369.421 3.289 20 30 FGEDHN N#Cc1cccc(OCCN2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000051377754 493965918 /nfs/dbraw/zinc/96/59/18/493965918.db2.gz MDQAGMIVNSPDLW-UHFFFAOYSA-N 0 3 353.441 3.284 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)COc1ccccc1C#N)c1ccsc1 ZINC000031987317 493968899 /nfs/dbraw/zinc/96/88/99/493968899.db2.gz NRIPHFVCOKUCHZ-QGZVFWFLSA-N 0 3 357.479 3.198 20 30 FGEDHN COC(=O)[C@@H](NC1CCN(Cc2ccsc2)CC1)c1cccc(C#N)c1 ZINC000083031705 493991934 /nfs/dbraw/zinc/99/19/34/493991934.db2.gz PRZUBTGGDNUERY-IBGZPJMESA-N 0 3 369.490 3.088 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000063403386 494051654 /nfs/dbraw/zinc/05/16/54/494051654.db2.gz MEZGUPPDVCUZOZ-SJORKVTESA-N 0 3 374.485 3.413 20 30 FGEDHN CCN(CCOc1ccc(C#N)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383296 494072440 /nfs/dbraw/zinc/07/24/40/494072440.db2.gz PFGYDBGNENYBMV-UHFFFAOYSA-N 0 3 351.450 3.161 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065202187 494179277 /nfs/dbraw/zinc/17/92/77/494179277.db2.gz MGGFUCBEGKFEFN-INIZCTEOSA-N 0 3 351.410 3.186 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C(C)C)C2CCOCC2)c1C ZINC000072685564 494233411 /nfs/dbraw/zinc/23/34/11/494233411.db2.gz CLDHIQRBVXZPTO-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000065984319 494265908 /nfs/dbraw/zinc/26/59/08/494265908.db2.gz URLPNOQXJBJSAN-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(NC(C)=O)c1)C(C)C ZINC000043655101 494311149 /nfs/dbraw/zinc/31/11/49/494311149.db2.gz YRBUFAMHKLZJKK-LJQANCHMSA-N 0 3 358.486 3.465 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000078533241 494315251 /nfs/dbraw/zinc/31/52/51/494315251.db2.gz OHJYXZXROBDKJY-UHFFFAOYSA-N 0 3 351.878 3.059 20 30 FGEDHN N#Cc1cccc(OCCN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1 ZINC000568527995 505715956 /nfs/dbraw/zinc/71/59/56/505715956.db2.gz HHCKXPJIQRMHGK-MXVIHJGJSA-N 0 3 366.461 3.448 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000577405562 505721452 /nfs/dbraw/zinc/72/14/52/505721452.db2.gz DUGUYNRXRCSBHU-AUUYWEPGSA-N 0 3 352.438 3.380 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000080063948 494582526 /nfs/dbraw/zinc/58/25/26/494582526.db2.gz GYMXVSMZEDWDGP-KNQAVFIVSA-N 0 3 361.489 3.390 20 30 FGEDHN C=CCOc1cccc(NC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)c1 ZINC000121097121 494595132 /nfs/dbraw/zinc/59/51/32/494595132.db2.gz PJBPTXZEFKLTDY-UHFFFAOYSA-N 0 3 367.449 3.199 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000047010406 494614332 /nfs/dbraw/zinc/61/43/32/494614332.db2.gz PESDFGAGEZZQBD-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000091630698 494632150 /nfs/dbraw/zinc/63/21/50/494632150.db2.gz UDEFHKRWUWFXOA-KRWDZBQOSA-N 0 3 351.454 3.133 20 30 FGEDHN N#Cc1cc(NC(=O)[C@@H](C2CC2)N2CCCC2)ccc1OCC(F)(F)F ZINC000126173885 494660670 /nfs/dbraw/zinc/66/06/70/494660670.db2.gz OJVJZEFFXAPICY-MRXNPFEDSA-N 0 3 367.371 3.312 20 30 FGEDHN N#Cc1cccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000047262159 494667874 /nfs/dbraw/zinc/66/78/74/494667874.db2.gz VITWYTSIAPUDRP-MRXNPFEDSA-N 0 3 354.841 3.457 20 30 FGEDHN CN1CCC[C@H](CNC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000131630774 494680908 /nfs/dbraw/zinc/68/09/08/494680908.db2.gz PDJMBHWRCJZFAR-OXQOHEQNSA-N 0 3 368.506 3.231 20 30 FGEDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000092706414 494718892 /nfs/dbraw/zinc/71/88/92/494718892.db2.gz OMVLCTMXOGCPKP-LJQANCHMSA-N 0 3 356.514 3.021 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](CNC(=O)CCC)C2)cc1OC ZINC000092707767 494721783 /nfs/dbraw/zinc/72/17/83/494721783.db2.gz HNKMPBQZNFFNOC-GOSISDBHSA-N 0 3 360.498 3.388 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000047947980 494799041 /nfs/dbraw/zinc/79/90/41/494799041.db2.gz VDIMLCXERGXLBP-HXUWFJFHSA-N 0 3 350.466 3.441 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000092144856 494799576 /nfs/dbraw/zinc/79/95/76/494799576.db2.gz QPIPZTBJORXNEX-GOSISDBHSA-N 0 3 369.509 3.448 20 30 FGEDHN N#CCCCOc1cccc(CN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000093011434 494807067 /nfs/dbraw/zinc/80/70/67/494807067.db2.gz UVCFEXMADCHJHI-HXUWFJFHSA-N 0 3 357.498 3.056 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000109028355 494823556 /nfs/dbraw/zinc/82/35/56/494823556.db2.gz LJSOQSPPPCUHDV-AWEZNQCLSA-N 0 3 372.498 3.483 20 30 FGEDHN C[C@@H](NC1(CNS(=O)(=O)CCCCC#N)CCCC1)c1ccccc1 ZINC000109345058 494861816 /nfs/dbraw/zinc/86/18/16/494861816.db2.gz IMGVNGNFWRIGID-QGZVFWFLSA-N 0 3 363.527 3.263 20 30 FGEDHN CNC(=O)[C@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093361235 494877829 /nfs/dbraw/zinc/87/78/29/494877829.db2.gz SSGJYTCLROBKAM-IBGZPJMESA-N 0 3 363.461 3.095 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2csc(C(C)(C)C)n2)CC1 ZINC000127644251 494974794 /nfs/dbraw/zinc/97/47/94/494974794.db2.gz VVHYZJCDGRTTOU-UHFFFAOYSA-N 0 3 364.559 3.323 20 30 FGEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111260792 495055883 /nfs/dbraw/zinc/05/58/83/495055883.db2.gz HNXJCYJLMPBOFD-CQSZACIVSA-N 0 3 356.445 3.247 20 30 FGEDHN C=CC1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000111258742 495056159 /nfs/dbraw/zinc/05/61/59/495056159.db2.gz AFODZFKUMVEATD-SFHVURJKSA-N 0 3 356.466 3.019 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)CCN1C ZINC000123248746 495102632 /nfs/dbraw/zinc/10/26/32/495102632.db2.gz RQCOTPVDFYSJHW-YJBOKZPZSA-N 0 3 367.449 3.285 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)CCN1C ZINC000123248551 495102850 /nfs/dbraw/zinc/10/28/50/495102850.db2.gz RQCOTPVDFYSJHW-QAPCUYQASA-N 0 3 367.449 3.285 20 30 FGEDHN Cc1nccn1-c1ccc(CNCc2cnc3ccc(C#N)cn23)cc1F ZINC000123449380 495134169 /nfs/dbraw/zinc/13/41/69/495134169.db2.gz BJTISZDBFIZPAY-UHFFFAOYSA-N 0 3 360.396 3.129 20 30 FGEDHN C=CCOc1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000119441259 495168080 /nfs/dbraw/zinc/16/80/80/495168080.db2.gz AKDCMPIMPYOFTK-OAHLLOKOSA-N 0 3 360.479 3.092 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H]4[C@H](CCCN4C4CC4)C3)o2)cc1 ZINC000134936597 495226383 /nfs/dbraw/zinc/22/63/83/495226383.db2.gz KHKNITCNWFXFPY-MJGOQNOKSA-N 0 3 363.465 3.057 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000120050102 495296755 /nfs/dbraw/zinc/29/67/55/495296755.db2.gz DIQMSSYCYHNLQH-YFZFPPMRSA-N 0 3 367.424 3.178 20 30 FGEDHN C#CCOc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000113327055 495296790 /nfs/dbraw/zinc/29/67/90/495296790.db2.gz WBGIASHZQRXTKS-UHFFFAOYSA-N 0 3 368.452 3.089 20 30 FGEDHN N#Cc1cc(F)c(C(=O)N2CCC[C@H](NCc3ccccc3)C2)c(F)c1 ZINC000129946319 495318302 /nfs/dbraw/zinc/31/83/02/495318302.db2.gz DVCDCOGCSULMTC-INIZCTEOSA-N 0 3 355.388 3.231 20 30 FGEDHN COc1ccc(OC)c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000124810081 495347324 /nfs/dbraw/zinc/34/73/24/495347324.db2.gz NSDONMVCWZHLTI-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000120476640 495387823 /nfs/dbraw/zinc/38/78/23/495387823.db2.gz BWEPGUFCDNZEPA-QAPCUYQASA-N 0 3 367.449 3.142 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC000120592200 495412622 /nfs/dbraw/zinc/41/26/22/495412622.db2.gz BTTKKPFFMLCLTM-MAUKXSAKSA-N 0 3 363.527 3.260 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114791573 495425685 /nfs/dbraw/zinc/42/56/85/495425685.db2.gz CMMCNEWPEFVDPX-OAQYLSRUSA-N 0 3 362.477 3.364 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000106325669 495445217 /nfs/dbraw/zinc/44/52/17/495445217.db2.gz NFFZTJVKWCOQBS-UHFFFAOYSA-N 0 3 364.396 3.322 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2nc3ccccc3s2)CC1 ZINC000106335520 495446140 /nfs/dbraw/zinc/44/61/40/495446140.db2.gz UIPZIQNROQTHGA-UHFFFAOYSA-N 0 3 358.511 3.179 20 30 FGEDHN C=CCCOCCNCc1cc(Br)c2c(c1)OCCCO2 ZINC000120820945 495464528 /nfs/dbraw/zinc/46/45/28/495464528.db2.gz NUBXANHLKVDWNO-UHFFFAOYSA-N 0 3 356.260 3.293 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000120895911 495480716 /nfs/dbraw/zinc/48/07/16/495480716.db2.gz OWUJSKFMEHMAGP-UHFFFAOYSA-N 0 3 370.415 3.327 20 30 FGEDHN CC1CCC(N2CCN(CCC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000115565506 495518416 /nfs/dbraw/zinc/51/84/16/495518416.db2.gz MMDWCXPIVTZUHA-UHFFFAOYSA-N 0 3 360.527 3.145 20 30 FGEDHN CC(C)Oc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000179531295 495630045 /nfs/dbraw/zinc/63/00/45/495630045.db2.gz MUBKAWXDZMKBLM-VQIMIIECSA-N 0 3 354.450 3.436 20 30 FGEDHN CCn1c(NC(=O)C2Oc3ccccc3O[C@H]2C)nc2cc(C#N)ccc21 ZINC000179534225 495631746 /nfs/dbraw/zinc/63/17/46/495631746.db2.gz GZTYUSKVXZWHRF-SGTLLEGYSA-N 0 3 362.389 3.095 20 30 FGEDHN CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1C(C)(C)C#N ZINC000159075746 495652449 /nfs/dbraw/zinc/65/24/49/495652449.db2.gz YYLFCTSKHFAEFQ-UHFFFAOYSA-N 0 3 361.445 3.216 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CC2)C(C)C ZINC000173757360 495679875 /nfs/dbraw/zinc/67/98/75/495679875.db2.gz DWWOFIMQBKYPMF-IBGZPJMESA-N 0 3 370.497 3.391 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC2(c3ccc(F)cc3Cl)CC2)CC1 ZINC000179666591 495682401 /nfs/dbraw/zinc/68/24/01/495682401.db2.gz SYVYAHLKLLVYOZ-UHFFFAOYSA-N 0 3 365.880 3.460 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173820567 495706361 /nfs/dbraw/zinc/70/63/61/495706361.db2.gz AVJUJXHUVPQIHW-INIZCTEOSA-N 0 3 371.506 3.440 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182845870 495726121 /nfs/dbraw/zinc/72/61/21/495726121.db2.gz HWSFJDHHQHVBEP-HNNXBMFYSA-N 0 3 364.371 3.489 20 30 FGEDHN Cc1cccc(C(C)(C)CNCCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000577841445 505802151 /nfs/dbraw/zinc/80/21/51/505802151.db2.gz OLGINXLWPQQKBI-UHFFFAOYSA-N 0 3 356.491 3.208 20 30 FGEDHN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(OCCN(C)C)c1 ZINC000151357114 495814369 /nfs/dbraw/zinc/81/43/69/495814369.db2.gz YPAUIHNKJJHGKV-INIZCTEOSA-N 0 3 367.449 3.213 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)cc2OCC)CC1 ZINC000151429856 495837818 /nfs/dbraw/zinc/83/78/18/495837818.db2.gz APHNKVJFADHGRB-UHFFFAOYSA-N 0 3 365.271 3.132 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000176955804 495856028 /nfs/dbraw/zinc/85/60/28/495856028.db2.gz LFAOQQOAQHRSEH-JTQLQIEISA-N 0 3 357.262 3.456 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000183153378 495857965 /nfs/dbraw/zinc/85/79/65/495857965.db2.gz LBBATAXMOROCMK-MRXNPFEDSA-N 0 3 359.433 3.423 20 30 FGEDHN COc1ccccc1[C@H](NCCNC(=O)C1N=CC=CC1=O)C1CCCC1 ZINC000180176786 495891977 /nfs/dbraw/zinc/89/19/77/495891977.db2.gz REOPVSRDAOGSPR-DCDYOYONSA-N 0 3 369.465 3.043 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000177138647 495943214 /nfs/dbraw/zinc/94/32/14/495943214.db2.gz HKXDFCOWOJAXFG-GOSISDBHSA-N 0 3 369.490 3.282 20 30 FGEDHN CCN(C(=O)c1ccccc1OCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186327197 495950139 /nfs/dbraw/zinc/95/01/39/495950139.db2.gz JSXPLCDGXJGSIO-IBGZPJMESA-N 0 3 363.461 3.326 20 30 FGEDHN N#CCCCCN[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000171715183 496003911 /nfs/dbraw/zinc/00/39/11/496003911.db2.gz KMUOLPKQMNPXPY-FQEVSTJZSA-N 0 3 365.433 3.056 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000171717507 496004595 /nfs/dbraw/zinc/00/45/95/496004595.db2.gz BQPNSGRFOSTRJC-DLBZAZTESA-N 0 3 363.299 3.319 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(-n4ccnn4)cc3)CC2)cc1 ZINC000183497973 496009609 /nfs/dbraw/zinc/00/96/09/496009609.db2.gz JUMBHQGZPHZMBH-UHFFFAOYSA-N 0 3 358.449 3.215 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000171736826 496013083 /nfs/dbraw/zinc/01/30/83/496013083.db2.gz ZGCQQGAMKKPLMX-UHFFFAOYSA-N 0 3 357.376 3.400 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2ccc(OCC(C)C)cc2)CC1 ZINC000171737299 496013335 /nfs/dbraw/zinc/01/33/35/496013335.db2.gz BLILKRYGGMDZKI-UHFFFAOYSA-N 0 3 359.514 3.214 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)CC1 ZINC000171737466 496013513 /nfs/dbraw/zinc/01/35/13/496013513.db2.gz UWPQJDWIHMCART-JXMROGBWSA-N 0 3 357.454 3.035 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)CC1 ZINC000171739744 496015055 /nfs/dbraw/zinc/01/50/55/496015055.db2.gz VSVJZWLKJRCHPQ-UHFFFAOYSA-N 0 3 372.513 3.377 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)CCCOc2cccc(Cl)c2)CC1 ZINC000171738411 496015186 /nfs/dbraw/zinc/01/51/86/496015186.db2.gz CYMZBLSXEVAFFX-UHFFFAOYSA-N 0 3 365.905 3.401 20 30 FGEDHN Cc1sc(NC(=O)CN2CCN(C)CC23CCCCC3)c(C#N)c1C ZINC000177359221 496029950 /nfs/dbraw/zinc/02/99/50/496029950.db2.gz CHGRVJHEZDLZFK-UHFFFAOYSA-N 0 3 360.527 3.125 20 30 FGEDHN COc1ccc([C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000186554705 496042560 /nfs/dbraw/zinc/04/25/60/496042560.db2.gz PIHJNKKCWXICTO-KRWDZBQOSA-N 0 3 370.409 3.198 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1ccccc1C#N ZINC000160801468 496044399 /nfs/dbraw/zinc/04/43/99/496044399.db2.gz NDNDWPZCVPAWCR-HZPDHXFCSA-N 0 3 359.433 3.422 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000174652310 496047015 /nfs/dbraw/zinc/04/70/15/496047015.db2.gz RBZHFKZPEKCAOO-ISKFKSNPSA-N 0 3 373.500 3.353 20 30 FGEDHN N#CCCCN1CCC(Oc2ccccc2I)CC1 ZINC000177454278 496067035 /nfs/dbraw/zinc/06/70/35/496067035.db2.gz CHADOMHIALOZMW-UHFFFAOYSA-N 0 3 370.234 3.438 20 30 FGEDHN C=CCNC(=O)c1ccc(NC2CCN(CCc3ccccc3)CC2)nc1 ZINC000171973256 496113637 /nfs/dbraw/zinc/11/36/37/496113637.db2.gz GKKFJIJHJOCLAB-UHFFFAOYSA-N 0 3 364.493 3.116 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000156049775 496143079 /nfs/dbraw/zinc/14/30/79/496143079.db2.gz SXIBMILJEHSCGZ-MOPGFXCFSA-N 0 3 350.418 3.200 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000152459833 496159468 /nfs/dbraw/zinc/15/94/68/496159468.db2.gz DMJBAVNTSYOBQI-QGZVFWFLSA-N 0 3 351.454 3.133 20 30 FGEDHN N#Cc1csc(CNC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000177690684 496161404 /nfs/dbraw/zinc/16/14/04/496161404.db2.gz QGEJJUMEBZCLOC-NSHDSACASA-N 0 3 357.262 3.456 20 30 FGEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000177727841 496174830 /nfs/dbraw/zinc/17/48/30/496174830.db2.gz BRZAXFUJZMPTDG-PVPMGCCUSA-N 0 3 369.490 3.317 20 30 FGEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1 ZINC000180878330 496182441 /nfs/dbraw/zinc/18/24/41/496182441.db2.gz TULWSQUABDZYIG-GLTXTHCDSA-N 0 3 354.237 3.170 20 30 FGEDHN Cc1noc(C)c1C(=O)C(C(=S)[N-][C@H]1C[C@H]2CC[C@@H]1C2)[n+]1ccccc1 ZINC000186962027 496230795 /nfs/dbraw/zinc/23/07/95/496230795.db2.gz VTYFOZLLPKABMH-XHSDSOJGSA-O 0 3 370.498 3.296 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181020954 496244380 /nfs/dbraw/zinc/24/43/80/496244380.db2.gz PWGIIYHKEGNSNH-HXUWFJFHSA-N 0 3 356.445 3.303 20 30 FGEDHN CN(C)[C@H](CNCc1cnc2ccc(C#N)cn12)c1ccccc1Cl ZINC000172338280 496259212 /nfs/dbraw/zinc/25/92/12/496259212.db2.gz NYZYSLVTEIEEQQ-GOSISDBHSA-N 0 3 353.857 3.252 20 30 FGEDHN Cc1oc(NC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000181205817 496311680 /nfs/dbraw/zinc/31/16/80/496311680.db2.gz ZINBXLDREALYHB-APWZRJJASA-N 0 3 367.449 3.464 20 30 FGEDHN N#Cc1cccc(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000577994698 505836773 /nfs/dbraw/zinc/83/67/73/505836773.db2.gz RHZXEPWIQLDQKR-VXKWHMMOSA-N 0 3 374.488 3.222 20 30 FGEDHN N#CC1(NC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)CCCCC1 ZINC000181231963 496321424 /nfs/dbraw/zinc/32/14/24/496321424.db2.gz MTYGWSUEUDIPNV-IEBWSBKVSA-N 0 3 355.482 3.087 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCC[C@]2(C)CO)c1C#N ZINC000578003710 505839381 /nfs/dbraw/zinc/83/93/81/505839381.db2.gz HEXNGRULHVGUNJ-GHTZIAJQSA-N 0 3 372.513 3.171 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000178329624 496415225 /nfs/dbraw/zinc/41/52/25/496415225.db2.gz SWTQOFCQBQXHFU-UHFFFAOYSA-N 0 3 371.706 3.412 20 30 FGEDHN C=CCC[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000178453544 496462068 /nfs/dbraw/zinc/46/20/68/496462068.db2.gz DCPSJYNTSDUVCF-NRFANRHFSA-N 0 3 371.525 3.448 20 30 FGEDHN COCCC1(CN[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCCCC1 ZINC000184727219 496508761 /nfs/dbraw/zinc/50/87/61/496508761.db2.gz QRDQPVGYAGFXMH-LJQANCHMSA-N 0 3 355.482 3.240 20 30 FGEDHN C[C@H](NCCNC(=O)c1ccccc1Cl)c1ccc(OCC#N)cc1 ZINC000181747111 496527180 /nfs/dbraw/zinc/52/71/80/496527180.db2.gz PMDJHGNZYFXZMI-AWEZNQCLSA-N 0 3 357.841 3.323 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000178676911 496536299 /nfs/dbraw/zinc/53/62/99/496536299.db2.gz QYGRPYDBZBPDNO-LXXRFIIISA-N 0 3 360.461 3.308 20 30 FGEDHN C[C@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000181788177 496545160 /nfs/dbraw/zinc/54/51/60/496545160.db2.gz ZAUNTIIMWSUPAZ-YVEFUNNKSA-N 0 3 358.825 3.367 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000181865695 496578429 /nfs/dbraw/zinc/57/84/29/496578429.db2.gz AUOHWHHHAXNRSA-AWEZNQCLSA-N 0 3 357.376 3.148 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000164130446 496588234 /nfs/dbraw/zinc/58/82/34/496588234.db2.gz HIWIXFJGCJVXRE-UHFFFAOYSA-N 0 3 370.497 3.085 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000173199459 496590398 /nfs/dbraw/zinc/59/03/98/496590398.db2.gz VYPDGCJKDSTCAC-PZJWPPBQSA-N 0 3 371.525 3.412 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1nccs1 ZINC000157957317 496594361 /nfs/dbraw/zinc/59/43/61/496594361.db2.gz MFKUBRHQSRPPAT-UHFFFAOYSA-N 0 3 374.535 3.458 20 30 FGEDHN CN1CCCN(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)CC1 ZINC000175933258 496606380 /nfs/dbraw/zinc/60/63/80/496606380.db2.gz GYCNMTXMHUTZQZ-UHFFFAOYSA-N 0 3 370.403 3.231 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1C ZINC000176070426 496669812 /nfs/dbraw/zinc/66/98/12/496669812.db2.gz BIFBHTNZMYDCJK-AAEUAGOBSA-N 0 3 352.385 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CC)Oc2cccc(C)c2)CC1 ZINC000176154178 496706678 /nfs/dbraw/zinc/70/66/78/496706678.db2.gz LAELWWZOKKYIRL-IBGZPJMESA-N 0 3 359.514 3.492 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(O)cc1Cl ZINC000182247941 496719236 /nfs/dbraw/zinc/71/92/36/496719236.db2.gz NCXFWKHQVUDXAS-UHFFFAOYSA-N 0 3 371.868 3.050 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000191357663 496737048 /nfs/dbraw/zinc/73/70/48/496737048.db2.gz CABPSPYMGGSLRD-FPOVZHCZSA-N 0 3 368.502 3.333 20 30 FGEDHN COc1ccc([C@H](CNc2nc(C)cc(C)c2C#N)N(C)C)cc1OC ZINC000194905897 496755643 /nfs/dbraw/zinc/75/56/43/496755643.db2.gz WYEYAFXWUAJANZ-KRWDZBQOSA-N 0 3 354.454 3.302 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000188450072 496794517 /nfs/dbraw/zinc/79/45/17/496794517.db2.gz SCFQHJZCZHHFCM-NQIIRXRSSA-N 0 3 357.498 3.394 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1COc2ccccc21)C(C)C ZINC000569166990 505867086 /nfs/dbraw/zinc/86/70/86/505867086.db2.gz YNDWLIYYELHAPS-MJGOQNOKSA-N 0 3 357.498 3.160 20 30 FGEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000195177608 496842265 /nfs/dbraw/zinc/84/22/65/496842265.db2.gz IFTPCRVLDKZXRP-YJBOKZPZSA-N 0 3 351.454 3.193 20 30 FGEDHN N#Cc1cc2c(nc1NCc1ccc(CN3CCC(O)CC3)cc1)CCC2 ZINC000264315497 496871003 /nfs/dbraw/zinc/87/10/03/496871003.db2.gz UDOPCUBOCYXDLK-UHFFFAOYSA-N 0 3 362.477 3.011 20 30 FGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2ccn[nH]2)CC1 ZINC000195507860 496945307 /nfs/dbraw/zinc/94/53/07/496945307.db2.gz LCPIUOUPYRFQTG-GFCCVEGCSA-N 0 3 369.494 3.038 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000188952443 496958703 /nfs/dbraw/zinc/95/87/03/496958703.db2.gz DKKPXYCXAZMUHY-UHFFFAOYSA-N 0 3 365.452 3.478 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000192204590 497030758 /nfs/dbraw/zinc/03/07/58/497030758.db2.gz NFISQKPTALWWQU-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 ZINC000189279431 497067499 /nfs/dbraw/zinc/06/74/99/497067499.db2.gz RQGIXIOCZVGJHK-UHFFFAOYSA-N 0 3 352.482 3.464 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000248746084 497096467 /nfs/dbraw/zinc/09/64/67/497096467.db2.gz FMEGTMPJVMWTGE-CKEIUWERSA-N 0 3 363.408 3.455 20 30 FGEDHN COc1cc(NC(=O)CCNCc2ccc(C#N)cc2)c(OC)cc1Cl ZINC000569229333 505884612 /nfs/dbraw/zinc/88/46/12/505884612.db2.gz NXRUKFDCNDTMSK-UHFFFAOYSA-N 0 3 373.840 3.347 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248785774 497103646 /nfs/dbraw/zinc/10/36/46/497103646.db2.gz XXTOUKSTTYRJTE-UNMCSNQZSA-N 0 3 350.462 3.445 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)C[C@H]2CCCN(C)C2)cc1OC ZINC000265354598 497107030 /nfs/dbraw/zinc/10/70/30/497107030.db2.gz YELUVHRHNRZUHF-CKDFRHGISA-N 0 3 358.482 3.073 20 30 FGEDHN N#CCCn1cc(CNCCOc2cccc(F)c2)c(-c2ccncc2)n1 ZINC000278706395 497196192 /nfs/dbraw/zinc/19/61/92/497196192.db2.gz RGKNVHPLGLWDIK-UHFFFAOYSA-N 0 3 365.412 3.166 20 30 FGEDHN C[C@H]1CN(C2CCOCC2)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000278940083 497274689 /nfs/dbraw/zinc/27/46/89/497274689.db2.gz XKYLENZDLNLRIP-INIZCTEOSA-N 0 3 366.427 3.242 20 30 FGEDHN COCCOC1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000271187821 497285049 /nfs/dbraw/zinc/28/50/49/497285049.db2.gz OKKPGPZFTVISHV-UHFFFAOYSA-N 0 3 362.470 3.005 20 30 FGEDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000271696334 497421534 /nfs/dbraw/zinc/42/15/34/497421534.db2.gz SOUKKLUWVLDJEI-CYBMUJFWSA-N 0 3 368.393 3.154 20 30 FGEDHN CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000275890353 497456480 /nfs/dbraw/zinc/45/64/80/497456480.db2.gz HRSFVYVVHCBNCV-NELJVSICSA-N 0 3 374.488 3.480 20 30 FGEDHN Cc1sc(NC(=O)CON=C(N)c2ccc(CN(C)C)cc2)c(C)c1C ZINC000267011978 497468135 /nfs/dbraw/zinc/46/81/35/497468135.db2.gz MTYYOYVKAVIFHD-UHFFFAOYSA-N 0 3 374.510 3.011 20 30 FGEDHN C=CCCO[C@H](C)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267302694 497520211 /nfs/dbraw/zinc/52/02/11/497520211.db2.gz YEWCOHHQSRTLQF-LJQANCHMSA-N 0 3 374.525 3.155 20 30 FGEDHN C[C@H](Cc1ccccc1F)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190623100 497549407 /nfs/dbraw/zinc/54/94/07/497549407.db2.gz ONHZBEUXOAHNDC-FOIQADDNSA-N 0 3 351.425 3.019 20 30 FGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC#N)cc1 ZINC000272233378 497572723 /nfs/dbraw/zinc/57/27/23/497572723.db2.gz RSHZMMDIGONGCE-HRAATJIYSA-N 0 3 374.444 3.307 20 30 FGEDHN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279986307 497610842 /nfs/dbraw/zinc/61/08/42/497610842.db2.gz KBPCSPIHFLTNPL-VQTJNVASSA-N 0 3 373.456 3.485 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280005773 497617404 /nfs/dbraw/zinc/61/74/04/497617404.db2.gz LMNSXTSRNIFZPZ-KDOFPFPSSA-N 0 3 363.465 3.378 20 30 FGEDHN CC(C)(C)c1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1 ZINC000280102354 497650526 /nfs/dbraw/zinc/65/05/26/497650526.db2.gz PCEMADMNLKNFCO-INIZCTEOSA-N 0 3 366.490 3.353 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccc1-n1cncn1 ZINC000190992477 497675666 /nfs/dbraw/zinc/67/56/66/497675666.db2.gz SDJZKPULUKQLMR-OAHLLOKOSA-N 0 3 354.373 3.009 20 30 FGEDHN Cc1nnc([C@H]2CCCN(Cc3cc(C#N)ccc3Br)C2)[nH]1 ZINC000276947180 497695991 /nfs/dbraw/zinc/69/59/91/497695991.db2.gz TVEINUPLMJKPEQ-ZDUSSCGKSA-N 0 3 360.259 3.127 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000272707097 497708637 /nfs/dbraw/zinc/70/86/37/497708637.db2.gz XEJAKUBTDOHVFB-OAQYLSRUSA-N 0 3 363.461 3.063 20 30 FGEDHN N#Cc1ccnc(N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000268510552 497769543 /nfs/dbraw/zinc/76/95/43/497769543.db2.gz RUDUIBXMRFCAGZ-UHFFFAOYSA-N 0 3 365.437 3.006 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246822797 497814170 /nfs/dbraw/zinc/81/41/70/497814170.db2.gz NULNGEVMYGXEBY-HNAYVOBHSA-N 0 3 372.900 3.099 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000280626388 497831942 /nfs/dbraw/zinc/83/19/42/497831942.db2.gz LOIWCYLPOMEBPP-CZUORRHYSA-N 0 3 357.903 3.204 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c2ccccc2)CC1 ZINC000329590612 497838354 /nfs/dbraw/zinc/83/83/54/497838354.db2.gz YMOZBCFASMAFPP-BQJUDKOJSA-N 0 3 371.525 3.076 20 30 FGEDHN C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000295894134 497845448 /nfs/dbraw/zinc/84/54/48/497845448.db2.gz HZQVKPWCNGYWQI-OALUTQOASA-N 0 3 367.497 3.026 20 30 FGEDHN CN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000569458559 505940669 /nfs/dbraw/zinc/94/06/69/505940669.db2.gz FMQNZWDXDOKJEZ-FGZHOGPDSA-N 0 3 361.489 3.492 20 30 FGEDHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)N[C@@H]3CCN(C4CC4)C3)ccc2NC1=O ZINC000329778735 497898836 /nfs/dbraw/zinc/89/88/36/497898836.db2.gz QKGKHAMIHXQSBR-QEORTHHSSA-N 0 3 372.469 3.247 20 30 FGEDHN Cc1ccccc1C(=O)NC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000329792657 497902456 /nfs/dbraw/zinc/90/24/56/497902456.db2.gz AKXZEDAUZMGPEZ-SJLPKXTDSA-N 0 3 372.513 3.161 20 30 FGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000292256599 497941568 /nfs/dbraw/zinc/94/15/68/497941568.db2.gz FBTXQWFQVSTECT-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN CC(C)N1CCC[C@H](NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)C1 ZINC000329916847 497952770 /nfs/dbraw/zinc/95/27/70/497952770.db2.gz QMDIBGBNUPHIIB-IFXJQAMLSA-N 0 3 359.495 3.445 20 30 FGEDHN CC1(C)[C@H](NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000329933851 497957724 /nfs/dbraw/zinc/95/77/24/497957724.db2.gz JKLBTPHKSHFAOH-HAGHYFMRSA-N 0 3 371.525 3.216 20 30 FGEDHN C=CC[C@H](C(=O)N1CCC(CCN2CCN(C)CC2)CC1)c1ccccc1 ZINC000364461040 497969386 /nfs/dbraw/zinc/96/93/86/497969386.db2.gz KIGRPIOUQPNXIO-QFIPXVFZSA-N 0 3 369.553 3.222 20 30 FGEDHN Cn1cc([C@@H](NCCCC2(C#N)CCOCC2)c2ccc(F)cc2)cn1 ZINC000280992450 497978286 /nfs/dbraw/zinc/97/82/86/497978286.db2.gz JFBZPNWQWMXSPN-IBGZPJMESA-N 0 3 356.445 3.339 20 30 FGEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000329985159 497980554 /nfs/dbraw/zinc/98/05/54/497980554.db2.gz CXLBIEDOYXEMDT-IBGZPJMESA-N 0 3 354.498 3.376 20 30 FGEDHN CN(C(=O)C1CCN(CCOc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000364502982 497990543 /nfs/dbraw/zinc/99/05/43/497990543.db2.gz WHAZGUFODLHYOK-UHFFFAOYSA-N 0 3 363.461 3.312 20 30 FGEDHN O=C(NC1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1)C1CC1 ZINC000330015550 497992027 /nfs/dbraw/zinc/99/20/27/497992027.db2.gz ODSAYMFOZBIMCO-UHFFFAOYSA-N 0 3 361.530 3.389 20 30 FGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 ZINC000292487553 498033981 /nfs/dbraw/zinc/03/39/81/498033981.db2.gz SRQAQRRLBXYLRM-DJJJIMSYSA-N 0 3 355.463 3.240 20 30 FGEDHN CC(C(=O)NC1(c2cccc(Cl)c2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330159867 498044525 /nfs/dbraw/zinc/04/45/25/498044525.db2.gz RIHKRVITHGFZGI-LBPRGKRZSA-N 0 3 371.886 3.268 20 30 FGEDHN C[C@H](CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)N1CCC(C)CC1 ZINC000330174804 498050412 /nfs/dbraw/zinc/05/04/12/498050412.db2.gz ZIOQBHIDZZHBHF-MISYRCLQSA-N 0 3 359.514 3.388 20 30 FGEDHN C=CCN(CCC#N)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000292551589 498057687 /nfs/dbraw/zinc/05/76/87/498057687.db2.gz AZCFSQJKIXRDNZ-UHFFFAOYSA-N 0 3 356.470 3.485 20 30 FGEDHN C[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1nc(C2CCCCC2)no1 ZINC000330196756 498057997 /nfs/dbraw/zinc/05/79/97/498057997.db2.gz QUXCXSFFJALYAU-LIRRHRJNSA-N 0 3 361.490 3.120 20 30 FGEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000572506950 505985098 /nfs/dbraw/zinc/98/50/98/505985098.db2.gz WJEKUKHUBJMHPU-KRWDZBQOSA-N 0 3 374.488 3.048 20 30 FGEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)c1 ZINC000330487750 498140409 /nfs/dbraw/zinc/14/04/09/498140409.db2.gz HALGAVKIWKAAMA-GOSISDBHSA-N 0 3 374.529 3.277 20 30 FGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(CN2CCOCC2)CC1 ZINC000301548165 498158128 /nfs/dbraw/zinc/15/81/28/498158128.db2.gz ULLOMSPVUACWQE-UHFFFAOYSA-N 0 3 368.456 3.103 20 30 FGEDHN CS[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1N1CCCC1 ZINC000281522431 498180674 /nfs/dbraw/zinc/18/06/74/498180674.db2.gz IMGWLZGQWPGPNP-QZTJIDSGSA-N 0 3 357.523 3.140 20 30 FGEDHN CS[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1N1CCCC1 ZINC000281522422 498180759 /nfs/dbraw/zinc/18/07/59/498180759.db2.gz IMGWLZGQWPGPNP-MSOLQXFVSA-N 0 3 357.523 3.140 20 30 FGEDHN COc1cccc([C@@H](O)CN(CCOCCC#N)Cc2ccccc2)c1 ZINC000292884389 498182786 /nfs/dbraw/zinc/18/27/86/498182786.db2.gz UNKIYPRMSHAPMZ-NRFANRHFSA-N 0 3 354.450 3.161 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000599390555 506438453 /nfs/dbraw/zinc/43/84/53/506438453.db2.gz MWKONUKJMSCWFW-RISCZKNCSA-N 0 3 362.779 3.037 20 30 FGEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000331487625 498347411 /nfs/dbraw/zinc/34/74/11/498347411.db2.gz YAUNZSOIXOSKTB-GQIGUUNPSA-N 0 3 355.482 3.214 20 30 FGEDHN CC(C)N1CCN(c2cccc(Nc3nccc(C#N)c3[N+](=O)[O-])c2)CC1 ZINC000301976798 498353506 /nfs/dbraw/zinc/35/35/06/498353506.db2.gz WIJPJYVHMIUDTD-UHFFFAOYSA-N 0 3 366.425 3.135 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)CC1 ZINC000297219488 498363320 /nfs/dbraw/zinc/36/33/20/498363320.db2.gz VZGKFIXOOWNHQU-YWZLYKJASA-N 0 3 370.497 3.220 20 30 FGEDHN N#CC1(CCCN2CCCN(C(=O)c3ccc(F)cc3)CC2)CCOCC1 ZINC000282073236 498379564 /nfs/dbraw/zinc/37/95/64/498379564.db2.gz TUYAKELSDWEXTF-UHFFFAOYSA-N 0 3 373.472 3.074 20 30 FGEDHN CN1CC[C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@@H]1c1cccs1 ZINC000362063324 498460171 /nfs/dbraw/zinc/46/01/71/498460171.db2.gz FOWZXAAMNJCHIF-OXJNMPFZSA-N 0 3 369.490 3.002 20 30 FGEDHN Cc1c([C@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000362656154 498533396 /nfs/dbraw/zinc/53/33/96/498533396.db2.gz GRFXWSZWJJJNEE-GOSISDBHSA-N 0 3 371.872 3.419 20 30 FGEDHN N#CCc1cccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000365756475 498627558 /nfs/dbraw/zinc/62/75/58/498627558.db2.gz DHSCKLGXCHUAOU-VXKWHMMOSA-N 0 3 359.473 3.347 20 30 FGEDHN N#CCc1ccc(C(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000365774858 498635186 /nfs/dbraw/zinc/63/51/86/498635186.db2.gz VIDIPAQTRWJAGW-FGZHOGPDSA-N 0 3 359.473 3.347 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000363102663 498650465 /nfs/dbraw/zinc/65/04/65/498650465.db2.gz RUYVSEQKPYDHAC-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN C=CCS(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294322257 498656766 /nfs/dbraw/zinc/65/67/66/498656766.db2.gz OLMWPFFYKPAAEW-IBGZPJMESA-N 0 3 359.491 3.257 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CCN(C)C)cc1OC ZINC000579058028 506084035 /nfs/dbraw/zinc/08/40/35/506084035.db2.gz VYVLAFCWKGTAEY-UHFFFAOYSA-N 0 3 357.292 3.016 20 30 FGEDHN C#CCOc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)cc1 ZINC000363251744 498729280 /nfs/dbraw/zinc/72/92/80/498729280.db2.gz JJXCZAFTGCTFEW-QFBILLFUSA-N 0 3 354.475 3.183 20 30 FGEDHN N#Cc1ccncc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000570070852 506083545 /nfs/dbraw/zinc/08/35/45/506083545.db2.gz IURSMHXDQGCZPZ-UHFFFAOYSA-N 0 3 350.422 3.070 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000579091663 506092192 /nfs/dbraw/zinc/09/21/92/506092192.db2.gz KXHGULKXZRNAJV-FDFHNCONSA-N 0 3 359.473 3.443 20 30 FGEDHN O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000328623333 498878709 /nfs/dbraw/zinc/87/87/09/498878709.db2.gz YTLNHVUELIMKMD-MOPGFXCFSA-N 0 3 363.546 3.494 20 30 FGEDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCOc2ccccc21 ZINC000328639996 498884496 /nfs/dbraw/zinc/88/44/96/498884496.db2.gz CHIXWTDRLQEJDY-XNFNUYLZSA-N 0 3 356.466 3.404 20 30 FGEDHN C=CCN(C(=O)Cc1ncccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000366391348 498906399 /nfs/dbraw/zinc/90/63/99/498906399.db2.gz NSSIXMVXZRCMAZ-SFHVURJKSA-N 0 3 353.441 3.052 20 30 FGEDHN O=C(C[C@H]1CCCS(=O)(=O)C1)NCC1(N2CCCCC2)CCCCC1 ZINC000328711085 498909720 /nfs/dbraw/zinc/90/97/20/498909720.db2.gz RGTPIZYVRWTQNA-QGZVFWFLSA-N 0 3 370.559 3.347 20 30 FGEDHN N#Cc1ccccc1OCCN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000576261370 506116007 /nfs/dbraw/zinc/11/60/07/506116007.db2.gz MPTSRNACPHUHBF-NRFANRHFSA-N 0 3 354.425 3.003 20 30 FGEDHN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328826102 498950437 /nfs/dbraw/zinc/95/04/37/498950437.db2.gz QDHGOUOZSUYBNX-HIBPSGHXSA-N 0 3 369.465 3.073 20 30 FGEDHN O=C(NCC1CCN(c2ccncc2)CC1)c1coc(C2CCOCC2)n1 ZINC000328827917 498952392 /nfs/dbraw/zinc/95/23/92/498952392.db2.gz TYKLGIMAKLVHFV-UHFFFAOYSA-N 0 3 370.453 3.185 20 30 FGEDHN COc1cccc(-c2nc(C)c(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)[nH]2)c1 ZINC000328870090 498968705 /nfs/dbraw/zinc/96/87/05/498968705.db2.gz PKUSGLRIUXZATD-SJKOYZFVSA-N 0 3 354.454 3.181 20 30 FGEDHN CNC(=O)[C@H](CNCc1ccc(C#N)c(C)c1)Cc1ccc(F)cc1C ZINC000576279489 506120077 /nfs/dbraw/zinc/12/00/77/506120077.db2.gz YIIZNKGFJFPKSX-IBGZPJMESA-N 0 3 353.441 3.009 20 30 FGEDHN N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000333302084 498972267 /nfs/dbraw/zinc/97/22/67/498972267.db2.gz MMQWREFWBFVMNR-OAQYLSRUSA-N 0 3 366.509 3.004 20 30 FGEDHN N#CCc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000328893742 498976498 /nfs/dbraw/zinc/97/64/98/498976498.db2.gz VGIREGFXDBOJJK-UHFFFAOYSA-N 0 3 357.523 3.234 20 30 FGEDHN CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328936935 498991605 /nfs/dbraw/zinc/99/16/05/498991605.db2.gz CTJAGTRGXCVENK-GIOGAUJUSA-N 0 3 360.498 3.477 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000328958326 498998652 /nfs/dbraw/zinc/99/86/52/498998652.db2.gz JRWWUVOMKXXWGB-ILXRZTDVSA-N 0 3 369.387 3.155 20 30 FGEDHN COc1ccccc1C(=O)C(C(=S)[N-]C1(C)CC1)[n+]1cccc(C)c1 ZINC000283886788 499007834 /nfs/dbraw/zinc/00/78/34/499007834.db2.gz CWRGWDFCCCBRLG-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CC[C@H](O)CC23CCC3)sc2c1CCCC2 ZINC000333515581 499022293 /nfs/dbraw/zinc/02/22/93/499022293.db2.gz JTGFONNRJDVACY-AWEZNQCLSA-N 0 3 373.522 3.207 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)C[C@H](C)O1 ZINC000333522429 499022647 /nfs/dbraw/zinc/02/26/47/499022647.db2.gz HGJVZZMQOVBKGF-KGVIQGDOSA-N 0 3 373.541 3.198 20 30 FGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000329104656 499043962 /nfs/dbraw/zinc/04/39/62/499043962.db2.gz GTZVNARFEQFJGM-AYOQOUSVSA-N 0 3 371.481 3.152 20 30 FGEDHN C[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCN(C2CC2)C1 ZINC000333655036 499051090 /nfs/dbraw/zinc/05/10/90/499051090.db2.gz FQXVJGJMHMINFL-MRXNPFEDSA-N 0 3 363.509 3.404 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)[C@@H]3CCn4ccnc4C3)cc2)CC1 ZINC000329160641 499059291 /nfs/dbraw/zinc/05/92/91/499059291.db2.gz YIXJKXFNVUXULG-QGZVFWFLSA-N 0 3 368.481 3.075 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)[C@H]3CCn4ccnc4C3)cc2)CC1 ZINC000329160639 499059503 /nfs/dbraw/zinc/05/95/03/499059503.db2.gz YIXJKXFNVUXULG-KRWDZBQOSA-N 0 3 368.481 3.075 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 ZINC000366803289 499079555 /nfs/dbraw/zinc/07/95/55/499079555.db2.gz DIQMSSYCYHNLQH-MMACOIQUSA-N 0 3 367.424 3.178 20 30 FGEDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000329328422 499100467 /nfs/dbraw/zinc/10/04/67/499100467.db2.gz XTHMXIRXDMVAED-INIZCTEOSA-N 0 3 352.482 3.498 20 30 FGEDHN O=C(NCC1(CN2CCOCC2)CCCCC1)c1cc2[nH]cnc2cc1F ZINC000329356111 499107261 /nfs/dbraw/zinc/10/72/61/499107261.db2.gz FSIYKMZKFJQREB-UHFFFAOYSA-N 0 3 374.460 3.289 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)[C@@H]2C1 ZINC000329408531 499116296 /nfs/dbraw/zinc/11/62/96/499116296.db2.gz CNWIFXPCSBFHRR-GDBMZVCRSA-N 0 3 369.494 3.199 20 30 FGEDHN C[C@]1(CNC(=O)c2ccccc2OCC#N)CCN(Cc2ccccc2)C1 ZINC000367206080 499161261 /nfs/dbraw/zinc/16/12/61/499161261.db2.gz OCQWCPAJKXQMQM-JOCHJYFZSA-N 0 3 363.461 3.231 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000367430556 499198092 /nfs/dbraw/zinc/19/80/92/499198092.db2.gz KLFFQOLUZCAZTJ-YLJYHZDGSA-N 0 3 363.461 3.083 20 30 FGEDHN C[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367804983 499234876 /nfs/dbraw/zinc/23/48/76/499234876.db2.gz VULMDGJICKXVBH-FOIQADDNSA-N 0 3 354.475 3.453 20 30 FGEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1Br ZINC000370743937 499250618 /nfs/dbraw/zinc/25/06/18/499250618.db2.gz ZCLXYUSQKPEBSY-CQSZACIVSA-N 0 3 363.259 3.023 20 30 FGEDHN C/C=C/c1ccc(OC[C@H](O)CNCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000573199930 506141645 /nfs/dbraw/zinc/14/16/45/506141645.db2.gz NLBAZMYXFINAHP-OAJJDEHYSA-N 0 3 370.424 3.269 20 30 FGEDHN CCCC[C@H](ON=C(C)C)C(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000368654776 499317819 /nfs/dbraw/zinc/31/78/19/499317819.db2.gz CITCHIAWTXFKBY-IBGZPJMESA-N 0 3 360.502 3.480 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368805062 499334571 /nfs/dbraw/zinc/33/45/71/499334571.db2.gz KOFNBAURJZTXPB-OAHLLOKOSA-N 0 3 369.490 3.168 20 30 FGEDHN COCCn1ncc2c1[C@@H](NCc1cccc(OCCCC#N)c1)CCC2 ZINC000368833061 499337264 /nfs/dbraw/zinc/33/72/64/499337264.db2.gz GQSUDYTZTSZRQH-FQEVSTJZSA-N 0 3 368.481 3.379 20 30 FGEDHN Cc1ccc(NC2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000368909104 499345492 /nfs/dbraw/zinc/34/54/92/499345492.db2.gz HAIOAUKGUYEIFL-NRFANRHFSA-N 0 3 365.477 3.183 20 30 FGEDHN C=CCOc1ccccc1C(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000368929397 499347930 /nfs/dbraw/zinc/34/79/30/499347930.db2.gz HOLMPFOMSRAUNK-UHFFFAOYSA-N 0 3 351.450 3.387 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC([C@@H]3CCOC3)CC1)CCC2 ZINC000371749291 499361137 /nfs/dbraw/zinc/36/11/37/499361137.db2.gz YRKUQQQCAPDUKE-OAHLLOKOSA-N 0 3 373.522 3.186 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000369303162 499389384 /nfs/dbraw/zinc/38/93/84/499389384.db2.gz OCNWNJBNZPEKFD-NHCUHLMSSA-N 0 3 372.472 3.273 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)cc1OC ZINC000372080217 499396664 /nfs/dbraw/zinc/39/66/64/499396664.db2.gz CGRUCVVNRPCLFS-RTBURBONSA-N 0 3 358.482 3.235 20 30 FGEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(F)c(C#N)c1Cl ZINC000369482544 499407237 /nfs/dbraw/zinc/40/72/37/499407237.db2.gz CCTDSZYMNMJBQA-CYBMUJFWSA-N 0 3 351.853 3.036 20 30 FGEDHN CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cccc(OCCCC#N)c1 ZINC000369759640 499441123 /nfs/dbraw/zinc/44/11/23/499441123.db2.gz ISENXEJPGBJWEW-RTWAWAEBSA-N 0 3 355.482 3.344 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@H](CO)c3c(F)cccc3F)CC2)cc1 ZINC000373187503 499456225 /nfs/dbraw/zinc/45/62/25/499456225.db2.gz VUSIQLVPOUFIDK-HXUWFJFHSA-N 0 3 371.431 3.124 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000373346135 499464585 /nfs/dbraw/zinc/46/45/85/499464585.db2.gz SHCXLNZXTZLPPW-LJQANCHMSA-N 0 3 354.454 3.038 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2NCc2nccn2CCc2ccccc2)O1 ZINC000378452476 499518676 /nfs/dbraw/zinc/51/86/76/499518676.db2.gz GZEDDSYETQHSNA-CGXNFDGLSA-N 0 3 364.493 3.455 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2ccc(C#N)c(Cl)n2)[C@H]1c1ccccc1 ZINC000375576243 499534335 /nfs/dbraw/zinc/53/43/35/499534335.db2.gz FUYOKIQPIXLGJS-SJLPKXTDSA-N 0 3 368.868 3.420 20 30 FGEDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000375599983 499536711 /nfs/dbraw/zinc/53/67/11/499536711.db2.gz SADAAKWOWLZHCT-PNGKTBNWSA-N 0 3 354.498 3.233 20 30 FGEDHN C[C@H]1C[C@H](Nc2ncc(C#N)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000379681667 499542712 /nfs/dbraw/zinc/54/27/12/499542712.db2.gz SIUIHIYFTCBXNK-WMLDXEAASA-N 0 3 351.410 3.326 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404201541 499570213 /nfs/dbraw/zinc/57/02/13/499570213.db2.gz PVTXSYCFYJGELS-PKTZIBPZSA-N 0 3 361.489 3.342 20 30 FGEDHN Cc1cc(S(=O)(=O)N2C[C@@H]3CCCN3Cc3ccccc32)ccc1C#N ZINC000408446391 499588931 /nfs/dbraw/zinc/58/89/31/499588931.db2.gz KQEYCHQLNOZMFI-SFHVURJKSA-N 0 3 367.474 3.040 20 30 FGEDHN Cc1cc(S(=O)(=O)N2C[C@H]3CCCN3Cc3ccccc32)ccc1C#N ZINC000408446390 499589021 /nfs/dbraw/zinc/58/90/21/499589021.db2.gz KQEYCHQLNOZMFI-GOSISDBHSA-N 0 3 367.474 3.040 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)OCC ZINC000376972114 499650546 /nfs/dbraw/zinc/65/05/46/499650546.db2.gz PCBTUFFKAMBMEP-GPANFISMSA-N 0 3 362.436 3.279 20 30 FGEDHN CCc1nc(CN2CCC[C@@H](N(C)[C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000377716675 499724662 /nfs/dbraw/zinc/72/46/62/499724662.db2.gz GNTDSLZCGTZXAE-MAUKXSAKSA-N 0 3 353.470 3.161 20 30 FGEDHN C=CCN(C)CCN(CC)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000411648235 499772903 /nfs/dbraw/zinc/77/29/03/499772903.db2.gz ZYMPGSJGGJRHOB-UHFFFAOYSA-N 0 3 354.376 3.094 20 30 FGEDHN Cc1nn(-c2ccncc2)cc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000573288672 506161749 /nfs/dbraw/zinc/16/17/49/506161749.db2.gz FEZPGPQBXVCKNJ-UHFFFAOYSA-N 0 3 361.449 3.096 20 30 FGEDHN COCCNCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415057947 499859358 /nfs/dbraw/zinc/85/93/58/499859358.db2.gz HXWKCWUPUKVFKP-UHFFFAOYSA-N 0 3 368.437 3.017 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(F)c1 ZINC000412555596 499862835 /nfs/dbraw/zinc/86/28/35/499862835.db2.gz CBZIPNIFOOQGOT-LJQANCHMSA-N 0 3 363.433 3.087 20 30 FGEDHN C=CCOc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2OC)cc1 ZINC000412566958 499864007 /nfs/dbraw/zinc/86/40/07/499864007.db2.gz WBKMECBZUHZHFV-UHFFFAOYSA-N 0 3 370.449 3.453 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415158792 499871567 /nfs/dbraw/zinc/87/15/67/499871567.db2.gz IWXPSGBAYHWPOE-FZMZJTMJSA-N 0 3 354.426 3.200 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1)C(C)C ZINC000413105640 499914654 /nfs/dbraw/zinc/91/46/54/499914654.db2.gz AEGHITTWAYWZJD-NJDAHSKKSA-N 0 3 371.525 3.203 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](N)c1ccccc1CC ZINC000415849604 499922124 /nfs/dbraw/zinc/92/21/24/499922124.db2.gz WJJGPSXPXLJKGE-IBGZPJMESA-N 0 3 365.477 3.122 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cc(C)ccc2Br)CC1 ZINC000413232013 499930382 /nfs/dbraw/zinc/93/03/82/499930382.db2.gz FXKTVDSSERFAAS-UHFFFAOYSA-N 0 3 366.303 3.207 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000424969511 499979784 /nfs/dbraw/zinc/97/97/84/499979784.db2.gz BLQNLQWUZNFKKX-JZXOWHBKSA-N 0 3 365.399 3.249 20 30 FGEDHN COc1ccc([C@@H](CNCc2ccc(C#N)c(F)c2)N(C)C)cc1OC ZINC000421323675 500017448 /nfs/dbraw/zinc/01/74/48/500017448.db2.gz GSGBEOSETKTWIM-GOSISDBHSA-N 0 3 357.429 3.107 20 30 FGEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000429496459 500087564 /nfs/dbraw/zinc/08/75/64/500087564.db2.gz YBDOZFBNFBLHRI-APWZRJJASA-N 0 3 356.514 3.260 20 30 FGEDHN COC(=O)[C@@H]1CN(CCCC(C)(C)C#N)C[C@H]1c1ccc(F)cc1F ZINC000425509614 500127862 /nfs/dbraw/zinc/12/78/62/500127862.db2.gz LFQJTKQJERXMCR-JKSUJKDBSA-N 0 3 350.409 3.483 20 30 FGEDHN COc1ccccc1COC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425537304 500136954 /nfs/dbraw/zinc/13/69/54/500136954.db2.gz QMBZVBOQQBQSAC-OXQOHEQNSA-N 0 3 354.450 3.137 20 30 FGEDHN COc1cccc(OC)c1OC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425539690 500138092 /nfs/dbraw/zinc/13/80/92/500138092.db2.gz UGSAMTVIGJTUSK-QAPCUYQASA-N 0 3 370.449 3.008 20 30 FGEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cc1c(F)cccc1C#N ZINC000425610729 500159912 /nfs/dbraw/zinc/15/99/12/500159912.db2.gz RQDGEILSILLODY-KRWDZBQOSA-N 0 3 351.425 3.149 20 30 FGEDHN COc1cc(CN2CC[C@@H](O)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426161327 500243004 /nfs/dbraw/zinc/24/30/04/500243004.db2.gz NPIXOKCJWVPVQM-OXJNMPFZSA-N 0 3 366.461 3.349 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000426366333 500264778 /nfs/dbraw/zinc/26/47/78/500264778.db2.gz QHBPRSKWXIIJSV-VQTJNVASSA-N 0 3 357.498 3.028 20 30 FGEDHN COCCN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCOC1 ZINC000426499998 500280741 /nfs/dbraw/zinc/28/07/41/500280741.db2.gz SQMNTHNRYKTVAB-OAQYLSRUSA-N 0 3 366.461 3.375 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCC1(C#N)CCC1)c1cccc(OC)c1 ZINC000419410256 500363140 /nfs/dbraw/zinc/36/31/40/500363140.db2.gz OLVFCKUFFRDCLH-SFHVURJKSA-N 0 3 358.486 3.071 20 30 FGEDHN C=CCCC(=O)N(CCN(CC)CC)c1ccc(Br)cn1 ZINC000573428916 506192524 /nfs/dbraw/zinc/19/25/24/506192524.db2.gz DORSPEKRDNEVBK-UHFFFAOYSA-N 0 3 354.292 3.485 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000424069083 500446563 /nfs/dbraw/zinc/44/65/63/500446563.db2.gz OMMRBVOTOYAGSK-AWEZNQCLSA-N 0 3 365.359 3.159 20 30 FGEDHN CCOc1ccc(-c2nc(NC(=O)[C@H](N)CCCC#N)sc2C)cc1 ZINC000424073042 500447537 /nfs/dbraw/zinc/44/75/37/500447537.db2.gz DXBNGAOFGXKPLZ-OAHLLOKOSA-N 0 3 358.467 3.477 20 30 FGEDHN COCC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424187806 500465461 /nfs/dbraw/zinc/46/54/61/500465461.db2.gz WRQMEGHNIGQYJH-CABCVRRESA-N 0 3 358.269 3.208 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000424242908 500474031 /nfs/dbraw/zinc/47/40/31/500474031.db2.gz JPNNMKNTXWTJIZ-DLBZAZTESA-N 0 3 361.559 3.487 20 30 FGEDHN Cc1ccc(NC(=O)c2ncc(C#N)cc2Cl)c(OCCN(C)C)c1 ZINC000432339311 500501655 /nfs/dbraw/zinc/50/16/55/500501655.db2.gz YMCBSZUJISEUJY-UHFFFAOYSA-N 0 3 358.829 3.108 20 30 FGEDHN C=CCC1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCOCC1 ZINC000424619973 500529519 /nfs/dbraw/zinc/52/95/19/500529519.db2.gz CHIQICDEHUKJKZ-UHFFFAOYSA-N 0 3 362.539 3.449 20 30 FGEDHN C=CCC1(C(=O)N(C)CC2CCN(c3ccncc3)CC2)CCOCC1 ZINC000424753734 500556983 /nfs/dbraw/zinc/55/69/83/500556983.db2.gz YXFOYDNLUVFSED-UHFFFAOYSA-N 0 3 357.498 3.129 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](CCO)CC1 ZINC000421025495 500558411 /nfs/dbraw/zinc/55/84/11/500558411.db2.gz YVLFNLKYKFAQFI-DLBZAZTESA-N 0 3 350.528 3.136 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(F)(F)[C@@H](C)C2)c(OC)c1 ZINC000573487476 506202804 /nfs/dbraw/zinc/20/28/04/506202804.db2.gz AHFLNMOVRKWJTD-HOCLYGCPSA-N 0 3 355.425 3.141 20 30 FGEDHN CCCCN(C)CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442222882 500572468 /nfs/dbraw/zinc/57/24/68/500572468.db2.gz CMCJKNQUGAGBFL-UHFFFAOYSA-N 0 3 358.364 3.310 20 30 FGEDHN COC(=O)c1coc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000447533188 500618896 /nfs/dbraw/zinc/61/88/96/500618896.db2.gz WXUXXXNAWQIADX-CJNGLKHVSA-N 0 3 371.412 3.397 20 30 FGEDHN Cc1nc2ccc(C(=O)C(C#N)c3nnc4n3CCCCC4)cc2s1 ZINC000433117319 500630073 /nfs/dbraw/zinc/63/00/73/500630073.db2.gz UKPQNSMRMVRVHD-ZDUSSCGKSA-N 0 3 351.435 3.413 20 30 FGEDHN C=CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000442879498 500639019 /nfs/dbraw/zinc/63/90/19/500639019.db2.gz WKOSIMZUVFLDTD-HNNXBMFYSA-N 0 3 360.882 3.092 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000437543781 500657972 /nfs/dbraw/zinc/65/79/72/500657972.db2.gz DNPFFVGIPFDVKC-QGZVFWFLSA-N 0 3 357.479 3.059 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(F)cc3C#N)cc2)CC1 ZINC000433974797 500774813 /nfs/dbraw/zinc/77/48/13/500774813.db2.gz QCZOTLLJGNZKNX-UHFFFAOYSA-N 0 3 366.440 3.480 20 30 FGEDHN Cc1cc(C(=O)Nc2ccccc2CCN(C)C)nn1-c1cccc(C#N)c1 ZINC000438564060 500801600 /nfs/dbraw/zinc/80/16/00/500801600.db2.gz YOCSQDUCHHTMRD-UHFFFAOYSA-N 0 3 373.460 3.409 20 30 FGEDHN CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CN2CCC1CC2 ZINC000444269276 500827008 /nfs/dbraw/zinc/82/70/08/500827008.db2.gz OBZYPFLYHWYRSC-FQEVSTJZSA-N 0 3 350.466 3.111 20 30 FGEDHN COC(=O)C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000448789214 500834533 /nfs/dbraw/zinc/83/45/33/500834533.db2.gz YVXNWJNNQMGGDQ-HKUYNNGSSA-N 0 3 368.408 3.319 20 30 FGEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(O[C@@H]2CCOC2)c1 ZINC000602569394 506220892 /nfs/dbraw/zinc/22/08/92/506220892.db2.gz QYANSHXBUFTANH-PKOBYXMFSA-N 0 3 358.482 3.351 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccccc3OC)cn2)CC1 ZINC000448924295 500871098 /nfs/dbraw/zinc/87/10/98/500871098.db2.gz YAIZKOWBTXYLLX-UHFFFAOYSA-N 0 3 367.449 3.263 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cc2ccccc2c(=O)[nH]1)C(C)C ZINC000448974947 500884530 /nfs/dbraw/zinc/88/45/30/500884530.db2.gz NDNDWVUWVBIDJW-HXUWFJFHSA-N 0 3 367.493 3.298 20 30 FGEDHN N#Cc1ccc([C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C(N)=O)cc1 ZINC000439628617 500920366 /nfs/dbraw/zinc/92/03/66/500920366.db2.gz ZNJVTACQNJYSMI-GOSISDBHSA-N 0 3 352.825 3.052 20 30 FGEDHN CC(C)NC(=O)Nc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602585054 506224648 /nfs/dbraw/zinc/22/46/48/506224648.db2.gz BYBHZWZEAJZJCC-MRXNPFEDSA-N 0 3 358.486 3.405 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC000449407467 500996124 /nfs/dbraw/zinc/99/61/24/500996124.db2.gz DECVMYQULGCXEQ-KRWDZBQOSA-N 0 3 360.498 3.374 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000449409606 500996397 /nfs/dbraw/zinc/99/63/97/500996397.db2.gz QWADYLMGENUWTR-UHFFFAOYSA-N 0 3 352.438 3.077 20 30 FGEDHN CO[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000449636851 501047257 /nfs/dbraw/zinc/04/72/57/501047257.db2.gz XIEWGYJUWROYHC-RTBURBONSA-N 0 3 350.466 3.348 20 30 FGEDHN COc1cc(CNC[C@@H](c2ccc(C)cc2)N2CCOCC2)ccc1C#N ZINC000440812130 501051702 /nfs/dbraw/zinc/05/17/02/501051702.db2.gz URQWXUOTYBSXLN-NRFANRHFSA-N 0 3 365.477 3.038 20 30 FGEDHN C=CCC[C@H](CO)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449702282 501065685 /nfs/dbraw/zinc/06/56/85/501065685.db2.gz YINAMPDVCCTLLT-CQSZACIVSA-N 0 3 350.260 3.256 20 30 FGEDHN C=CCc1cc(CN[C@@]2(CO)CCCc3ccccc32)cc(OC)c1O ZINC000441336703 501122616 /nfs/dbraw/zinc/12/26/16/501122616.db2.gz SVHXRJXSLMXRCN-JOCHJYFZSA-N 0 3 353.462 3.443 20 30 FGEDHN C[C@H](c1ccccc1)[C@H](O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450219508 501212455 /nfs/dbraw/zinc/21/24/55/501212455.db2.gz WLUUHSCURPVIGL-AUSIDOKSSA-N 0 3 363.505 3.231 20 30 FGEDHN C=CCC1(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)CCCC1 ZINC000450820830 501213751 /nfs/dbraw/zinc/21/37/51/501213751.db2.gz PCAHBOQPRLCEGG-JOCHJYFZSA-N 0 3 356.510 3.218 20 30 FGEDHN N#Cc1c(Cl)cccc1NCCCN1CCN(c2ccncc2)CC1 ZINC000450295050 501227966 /nfs/dbraw/zinc/22/79/66/501227966.db2.gz UQLFXOSQQXWADZ-UHFFFAOYSA-N 0 3 355.873 3.231 20 30 FGEDHN N#CCc1ccc(CN2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1 ZINC000451029041 501240327 /nfs/dbraw/zinc/24/03/27/501240327.db2.gz QEZCHTBJZRJERQ-FQEVSTJZSA-N 0 3 362.477 3.401 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C1(C)C ZINC000451490719 501305009 /nfs/dbraw/zinc/30/50/09/501305009.db2.gz AUMGQTNDZUZMDO-LSTHTHJFSA-N 0 3 357.498 3.199 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000451677856 501349018 /nfs/dbraw/zinc/34/90/18/501349018.db2.gz VSTJSRUTSPDLBS-SVFBPWRDSA-N 0 3 360.473 3.496 20 30 FGEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc(C#N)c1Br ZINC000451764800 501367937 /nfs/dbraw/zinc/36/79/37/501367937.db2.gz WDEPYWWVGAASIJ-WFASDCNBSA-N 0 3 362.271 3.020 20 30 FGEDHN CN(C)[C@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000596091846 506253475 /nfs/dbraw/zinc/25/34/75/506253475.db2.gz FONQRKDOZSTQLW-FQEVSTJZSA-N 0 3 364.493 3.265 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000456321448 501497487 /nfs/dbraw/zinc/49/74/87/501497487.db2.gz CRNLHIVGOHFLDT-IBGZPJMESA-N 0 3 361.489 3.471 20 30 FGEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458795937 501533914 /nfs/dbraw/zinc/53/39/14/501533914.db2.gz DKCWVCPCJUYLQZ-UXHICEINSA-N 0 3 372.513 3.174 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1F ZINC000598993491 506266708 /nfs/dbraw/zinc/26/67/08/506266708.db2.gz CLHHGMMZIXLGDA-SFHVURJKSA-N 0 3 359.832 3.346 20 30 FGEDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000457054042 501641912 /nfs/dbraw/zinc/64/19/12/501641912.db2.gz QBBKCBOTYTUSRJ-UHFFFAOYSA-N 0 3 367.449 3.334 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000459577551 501679996 /nfs/dbraw/zinc/67/99/96/501679996.db2.gz GWEPEWKXBIZVNK-CJNGLKHVSA-N 0 3 369.494 3.498 20 30 FGEDHN COc1ccc([C@H](CNC(=O)NCC(C)(C)CC#N)N2CCCC2)cc1 ZINC000457441002 501698593 /nfs/dbraw/zinc/69/85/93/501698593.db2.gz SUYPYYYPHMDJJG-SFHVURJKSA-N 0 3 358.486 3.071 20 30 FGEDHN COc1ccc([C@@H](CNC(=O)NCC(C)(C)CC#N)N2CCCC2)cc1 ZINC000457441000 501698622 /nfs/dbraw/zinc/69/86/22/501698622.db2.gz SUYPYYYPHMDJJG-GOSISDBHSA-N 0 3 358.486 3.071 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)N(C)CCN(C)C ZINC000459684605 501698719 /nfs/dbraw/zinc/69/87/19/501698719.db2.gz DOFNKUZBWLXQJS-UHFFFAOYSA-N 0 3 356.264 3.039 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)NC1CCN(C)CC1 ZINC000459721218 501703867 /nfs/dbraw/zinc/70/38/67/501703867.db2.gz VOEMXPCWZSLKSP-UHFFFAOYSA-N 0 3 368.275 3.230 20 30 FGEDHN CC(C)(C#N)c1ccccc1CNC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459770759 501711558 /nfs/dbraw/zinc/71/15/58/501711558.db2.gz IHOJSMSDZUIKEL-UHFFFAOYSA-N 0 3 351.494 3.258 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000485285337 501776862 /nfs/dbraw/zinc/77/68/62/501776862.db2.gz JRTWVVMCNZXLEM-SFHVURJKSA-N 0 3 371.387 3.445 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)CN1Cc1ccccc1 ZINC000467465304 501801004 /nfs/dbraw/zinc/80/10/04/501801004.db2.gz FLZCSULLYMFVSZ-KSSFIOAISA-N 0 3 352.413 3.482 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000470975628 501878989 /nfs/dbraw/zinc/87/89/89/501878989.db2.gz PPEUEJWBDPAXEB-UZLBHIALSA-N 0 3 369.428 3.304 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000588374704 506281339 /nfs/dbraw/zinc/28/13/39/506281339.db2.gz VZPMRVADHHEGKI-MGPUTAFESA-N 0 3 366.465 3.230 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cc(F)c(F)c(F)c2)cc1 ZINC000471093544 501916695 /nfs/dbraw/zinc/91/66/95/501916695.db2.gz BEEPCIOAHUJMGI-OAHLLOKOSA-N 0 3 357.335 3.017 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCCN(CC)CC1 ZINC000460956799 501971136 /nfs/dbraw/zinc/97/11/36/501971136.db2.gz CSWNPJSWPINONW-UHFFFAOYSA-N 0 3 353.514 3.285 20 30 FGEDHN N#CC(C(=O)c1ccc(-c2nc[nH]n2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464402419 501978887 /nfs/dbraw/zinc/97/88/87/501978887.db2.gz DWNNDPNCVLIFHC-CYBMUJFWSA-N 0 3 357.295 3.376 20 30 FGEDHN N#CC(C(=O)c1ccccc1Cn1cncn1)c1cc(C(F)(F)F)ccn1 ZINC000464425077 501985885 /nfs/dbraw/zinc/98/58/85/501985885.db2.gz YWTRPOULQZOAOF-HNNXBMFYSA-N 0 3 371.322 3.230 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c(C#N)c(C)c1C ZINC000478619305 502036139 /nfs/dbraw/zinc/03/61/39/502036139.db2.gz HQXBSAXRIQQGPN-KBPBESRZSA-N 0 3 374.554 3.350 20 30 FGEDHN C[C@@H](CCN1CCN(c2cc(C#N)ccn2)CC1)OCc1ccccc1 ZINC000475056465 502038607 /nfs/dbraw/zinc/03/86/07/502038607.db2.gz IWNNNRBFIGMJOD-SFHVURJKSA-N 0 3 350.466 3.071 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(OC)c2)cc1 ZINC000482344051 502047269 /nfs/dbraw/zinc/04/72/69/502047269.db2.gz MWNDIGKJBVWMLT-UHFFFAOYSA-N 0 3 368.477 3.464 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)CSc2ccc(C#N)cc2)o1 ZINC000486126029 502055450 /nfs/dbraw/zinc/05/54/50/502055450.db2.gz XAEAYOMKNILAFR-UHFFFAOYSA-N 0 3 357.479 3.142 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000475103285 502060307 /nfs/dbraw/zinc/06/03/07/502060307.db2.gz LGXQCVDZNGUGHM-UHFFFAOYSA-N 0 3 371.525 3.154 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CSc1ccc(C#N)cc1 ZINC000486169838 502070104 /nfs/dbraw/zinc/07/01/04/502070104.db2.gz YZEMYVCCERXTFN-UHFFFAOYSA-N 0 3 371.481 3.380 20 30 FGEDHN C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)N1CCCCCC1 ZINC000468625741 502129796 /nfs/dbraw/zinc/12/97/96/502129796.db2.gz UNBHUFADXFTVLJ-CJNGLKHVSA-N 0 3 364.287 3.394 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)NCc1ccncc1OCCN(C)C ZINC000461516530 502135221 /nfs/dbraw/zinc/13/52/21/502135221.db2.gz CQYPLEFHEZADJT-UHFFFAOYSA-N 0 3 374.529 3.300 20 30 FGEDHN CN(C)C[C@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588665901 506297604 /nfs/dbraw/zinc/29/76/04/506297604.db2.gz OTODRVHHAXJSGT-UXHICEINSA-N 0 3 366.440 3.287 20 30 FGEDHN C[C@H](CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N(C)C ZINC000479228811 502199911 /nfs/dbraw/zinc/19/99/11/502199911.db2.gz XIFKIKQWCSFTHR-CQSZACIVSA-N 0 3 364.474 3.300 20 30 FGEDHN Cc1[nH]c2ccccc2c1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472023369 502202462 /nfs/dbraw/zinc/20/24/62/502202462.db2.gz WUODLJHYNLDZSK-SFHVURJKSA-N 0 3 356.429 3.389 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000462039090 502283050 /nfs/dbraw/zinc/28/30/50/502283050.db2.gz NNGACZAAOICLTG-UHFFFAOYSA-N 0 3 363.505 3.414 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000592936903 506304771 /nfs/dbraw/zinc/30/47/71/506304771.db2.gz GJLHPWYMZFARFQ-SQNIBIBYSA-N 0 3 356.466 3.386 20 30 FGEDHN CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602814762 506311853 /nfs/dbraw/zinc/31/18/53/506311853.db2.gz HLKOYTABVAKLEK-PKOBYXMFSA-N 0 3 372.538 3.434 20 30 FGEDHN N#Cc1cc2cccnc2nc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000596210852 506313257 /nfs/dbraw/zinc/31/32/57/506313257.db2.gz RFVFZOSEJMRFAF-FQEVSTJZSA-N 0 3 373.460 3.204 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000469856780 502570087 /nfs/dbraw/zinc/57/00/87/502570087.db2.gz VOBHVAVTNZLGKR-NHCUHLMSSA-N 0 3 371.525 3.445 20 30 FGEDHN Cn1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C(F)F)n1 ZINC000462786743 502572732 /nfs/dbraw/zinc/57/27/32/502572732.db2.gz BHQXNDQOXHXNIO-AWEZNQCLSA-N 0 3 363.387 3.127 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000487965777 502583077 /nfs/dbraw/zinc/58/30/77/502583077.db2.gz GPAOXPUJNHKKTL-HOTGVXAUSA-N 0 3 364.449 3.475 20 30 FGEDHN CN(C)CCOc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000480573237 502607569 /nfs/dbraw/zinc/60/75/69/502607569.db2.gz DGJJNRZGZNKLPH-UHFFFAOYSA-N 0 3 352.438 3.075 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000480643229 502630320 /nfs/dbraw/zinc/63/03/20/502630320.db2.gz ZJHVNPQEWKXREX-INIZCTEOSA-N 0 3 357.498 3.342 20 30 FGEDHN COC(=O)c1ccccc1CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000480785988 502671252 /nfs/dbraw/zinc/67/12/52/502671252.db2.gz LLPKJKLZQLMKJY-UHFFFAOYSA-N 0 3 364.445 3.431 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)N(C)C)cc1 ZINC000588753726 506327529 /nfs/dbraw/zinc/32/75/29/506327529.db2.gz ZAHGBZSFAZLQKO-TZIWHRDSSA-N 0 3 372.513 3.412 20 30 FGEDHN COc1cc(CN2C[C@@H](C)[C@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000484711170 502716053 /nfs/dbraw/zinc/71/60/53/502716053.db2.gz DMICMOJYUZMTBH-UZLBHIALSA-N 0 3 366.461 3.206 20 30 FGEDHN CC1(C)[C@H](O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000463222447 502724984 /nfs/dbraw/zinc/72/49/84/502724984.db2.gz LPORSDMJTNIVAB-MRXNPFEDSA-N 0 3 361.511 3.062 20 30 FGEDHN CN(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000473918222 502748751 /nfs/dbraw/zinc/74/87/51/502748751.db2.gz JVNSJAVUIBKVLM-MRXNPFEDSA-N 0 3 369.918 3.000 20 30 FGEDHN C=CCOc1ccc(CNCc2ccc(C[S@@](C)=O)cc2)cc1OC ZINC000513041781 502837003 /nfs/dbraw/zinc/83/70/03/502837003.db2.gz SAQNCUVKTRKDNV-RUZDIDTESA-N 0 3 359.491 3.428 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cc(Br)cc(N(C)C)c2)nc(C)n1 ZINC000495580903 502852780 /nfs/dbraw/zinc/85/27/80/502852780.db2.gz PWULUJNBSRBBFO-HNNXBMFYSA-N 0 3 373.254 3.412 20 30 FGEDHN COC(=O)C[C@@](C)(NCCOc1ccccc1C#N)c1cccc(F)c1 ZINC000513134376 502860999 /nfs/dbraw/zinc/86/09/99/502860999.db2.gz XNIJVGJYZGIHBW-HXUWFJFHSA-N 0 3 356.397 3.144 20 30 FGEDHN C=CCn1cccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000489063716 502871393 /nfs/dbraw/zinc/87/13/93/502871393.db2.gz BEAPDVOKGQRKRK-UHFFFAOYSA-N 0 3 364.493 3.458 20 30 FGEDHN C[C@@H](NC(=O)Nc1cccc(OCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000505305111 502885697 /nfs/dbraw/zinc/88/56/97/502885697.db2.gz RHPSFEKBXFLLHD-OAHLLOKOSA-N 0 3 352.438 3.381 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000505375860 502895563 /nfs/dbraw/zinc/89/55/63/502895563.db2.gz VWHYZCQYLYHHKR-UHFFFAOYSA-N 0 3 353.853 3.390 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 ZINC000505412991 502901110 /nfs/dbraw/zinc/90/11/10/502901110.db2.gz DXIZVPILBPJQBR-UHFFFAOYSA-N 0 3 351.425 3.107 20 30 FGEDHN COc1ccccc1O[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000513417224 502932685 /nfs/dbraw/zinc/93/26/85/502932685.db2.gz UUNFLWGFEUVQTD-LJQANCHMSA-N 0 3 352.434 3.489 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC#Cc1ccccc1 ZINC000489401390 502948265 /nfs/dbraw/zinc/94/82/65/502948265.db2.gz WRRAABMFVUHOOG-UGKGYDQZSA-N 0 3 361.489 3.248 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000505617908 502952307 /nfs/dbraw/zinc/95/23/07/502952307.db2.gz DRUKZWGRHPMZEO-MOPGFXCFSA-N 0 3 369.509 3.217 20 30 FGEDHN CN(C)CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CC1 ZINC000505653406 502959506 /nfs/dbraw/zinc/95/95/06/502959506.db2.gz AGKCQFDOAMZUEH-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000489446722 502960867 /nfs/dbraw/zinc/96/08/67/502960867.db2.gz ITRISKFCFBUQRH-HUUCEWRRSA-N 0 3 358.251 3.368 20 30 FGEDHN C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCN1C1CCN(C)CC1 ZINC000505708351 502970880 /nfs/dbraw/zinc/97/08/80/502970880.db2.gz YYWYSMJLDZEYEZ-CQSZACIVSA-N 0 3 366.431 3.182 20 30 FGEDHN C[C@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCC[C@H](C)C1 ZINC000501489254 503019061 /nfs/dbraw/zinc/01/90/61/503019061.db2.gz FUSAKCWDTHLUBD-DLBZAZTESA-N 0 3 374.554 3.211 20 30 FGEDHN N#Cc1ccc(C2CCN(CCOCCOc3ccccc3)CC2)nc1 ZINC000602909219 506348153 /nfs/dbraw/zinc/34/81/53/506348153.db2.gz JSLKPDHYMDIDQT-UHFFFAOYSA-N 0 3 351.450 3.228 20 30 FGEDHN COc1ccc(COCCN2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602911156 506348461 /nfs/dbraw/zinc/34/84/61/506348461.db2.gz XRHRSWQRXSUOEU-UHFFFAOYSA-N 0 3 351.450 3.358 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000510130908 503055986 /nfs/dbraw/zinc/05/59/86/503055986.db2.gz ZQQVCOYBRFABER-INIZCTEOSA-N 0 3 352.519 3.101 20 30 FGEDHN CCn1nc(C(C)C)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497898798 503063215 /nfs/dbraw/zinc/06/32/15/503063215.db2.gz APUXOTSYXKJBLQ-UHFFFAOYSA-N 0 3 367.497 3.102 20 30 FGEDHN COc1ccc(C2CCN(CCC(=O)Nc3sccc3C#N)CC2)nc1 ZINC000593041943 506354787 /nfs/dbraw/zinc/35/47/87/506354787.db2.gz SRQYBFQBJHIICK-UHFFFAOYSA-N 0 3 370.478 3.232 20 30 FGEDHN CN1CCN(CCCNc2ccc(C#N)cc2F)[C@@H](c2ccccc2)C1 ZINC000506808944 503176113 /nfs/dbraw/zinc/17/61/13/503176113.db2.gz PICPPLUGXVRYNE-OAQYLSRUSA-N 0 3 352.457 3.488 20 30 FGEDHN C=CCn1c(CC(F)(F)F)nnc1N1CCN(C2CCCCC2)CC1 ZINC000514726587 503178376 /nfs/dbraw/zinc/17/83/76/503178376.db2.gz WBYCFUMBDFNIEY-UHFFFAOYSA-N 0 3 357.424 3.024 20 30 FGEDHN COC(=O)C[C@](C)(NCCCC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000510777376 503191227 /nfs/dbraw/zinc/19/12/27/503191227.db2.gz JZIQGEZCPZAGNE-FQEVSTJZSA-N 0 3 374.481 3.164 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000491086587 503270823 /nfs/dbraw/zinc/27/08/23/503270823.db2.gz UQANYSJWPGUFMA-SQGPQFPESA-N 0 3 357.498 3.123 20 30 FGEDHN COc1ccc(C[C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000507451423 503300792 /nfs/dbraw/zinc/30/07/92/503300792.db2.gz TXSZGCAEODLSDV-IIBYNOLFSA-N 0 3 363.461 3.283 20 30 FGEDHN COc1ccc(C[C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000507451424 503300957 /nfs/dbraw/zinc/30/09/57/503300957.db2.gz TXSZGCAEODLSDV-KKSFZXQISA-N 0 3 363.461 3.283 20 30 FGEDHN COc1cccc(C[C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000515496040 503350791 /nfs/dbraw/zinc/35/07/91/503350791.db2.gz NWTXXAKVTHVJQN-VQTJNVASSA-N 0 3 366.461 3.014 20 30 FGEDHN N#Cc1ccccc1OCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503259850 503379274 /nfs/dbraw/zinc/37/92/74/503379274.db2.gz AONKHWCPOPEHLB-HXUWFJFHSA-N 0 3 359.429 3.130 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000503408371 503402891 /nfs/dbraw/zinc/40/28/91/503402891.db2.gz SRCBRWLWDDCPGA-SJLPKXTDSA-N 0 3 373.497 3.474 20 30 FGEDHN CCn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000516124837 503451691 /nfs/dbraw/zinc/45/16/91/503451691.db2.gz CSEXTIUGDRWWLX-UHFFFAOYSA-N 0 3 366.513 3.080 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)c1cccc(OC)c1 ZINC000503964818 503500075 /nfs/dbraw/zinc/50/00/75/503500075.db2.gz QPIZCGPAPFBMQK-IBGZPJMESA-N 0 3 372.513 3.413 20 30 FGEDHN C=CCC[C@H](O)CN[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494211272 503503661 /nfs/dbraw/zinc/50/36/61/503503661.db2.gz FHHSGRUSWVGZAI-FNHZYXHNSA-N 0 3 368.880 3.446 20 30 FGEDHN CC[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCc2ccccc2C1 ZINC000503990087 503506381 /nfs/dbraw/zinc/50/63/81/503506381.db2.gz XIBLTHQTEXQPDO-IBGZPJMESA-N 0 3 354.498 3.159 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C#N)ccc1Cl ZINC000508572917 503522066 /nfs/dbraw/zinc/52/20/66/503522066.db2.gz YHIPNCUKOCQSDF-UHFFFAOYSA-N 0 3 366.852 3.287 20 30 FGEDHN C=CCN1CC[C@@H](N(C)CC2(COc3cccc(COC)c3)CCC2)C1=O ZINC000500001121 503530803 /nfs/dbraw/zinc/53/08/03/503530803.db2.gz ZDLVZKLOBCBNSS-HXUWFJFHSA-N 0 3 372.509 3.101 20 30 FGEDHN CCCN(CCN1CCCC1)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000512431904 503548796 /nfs/dbraw/zinc/54/87/96/503548796.db2.gz BHXDTLJVXYSRTF-UHFFFAOYSA-N 0 3 370.541 3.358 20 30 FGEDHN C=CCc1cc(CN2CCC(CCN3CCOCC3)CC2)cc(OC)c1O ZINC000512449741 503555070 /nfs/dbraw/zinc/55/50/70/503555070.db2.gz KOGYEQRFHBRABB-UHFFFAOYSA-N 0 3 374.525 3.064 20 30 FGEDHN C[C@@H]1C[C@H]1c1noc(CC2CCN(CCOc3ccccc3C#N)CC2)n1 ZINC000593077621 506379518 /nfs/dbraw/zinc/37/95/18/506379518.db2.gz NILQYLIJWPUCAZ-CRAIPNDOSA-N 0 3 366.465 3.398 20 30 FGEDHN CN(C)c1ccccc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512622079 503596826 /nfs/dbraw/zinc/59/68/26/503596826.db2.gz INWWQJNTUFUIFU-UHFFFAOYSA-N 0 3 362.477 3.475 20 30 FGEDHN C[C@H](N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(C#N)cc1F ZINC000512647715 503602076 /nfs/dbraw/zinc/60/20/76/503602076.db2.gz JHHLRDBVAQOKAI-PXNSSMCTSA-N 0 3 367.468 3.291 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)cn2)N(CC)CC)cc1 ZINC000582717541 506382357 /nfs/dbraw/zinc/38/23/57/506382357.db2.gz YCCWJGKPIPMWAX-HXUWFJFHSA-N 0 3 350.466 3.329 20 30 FGEDHN C=C(C)[C@H](CC(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1)OCC ZINC000500408292 503616828 /nfs/dbraw/zinc/61/68/28/503616828.db2.gz JJCSVWSOJWCVQR-UXHICEINSA-N 0 3 360.498 3.320 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512823703 503640169 /nfs/dbraw/zinc/64/01/69/503640169.db2.gz XJTFNZGAPIFUER-IAGOWNOFSA-N 0 3 369.509 3.218 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)Cc1cc(C#N)ccc1Br ZINC000517038779 503648977 /nfs/dbraw/zinc/64/89/77/503648977.db2.gz MYYFCEOLUGYYPF-UHFFFAOYSA-N 0 3 373.298 3.280 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](N2CCCCC2)C1 ZINC000532958557 503676225 /nfs/dbraw/zinc/67/62/25/503676225.db2.gz UEPFGWLOZDELJD-ROUUACIJSA-N 0 3 361.555 3.211 20 30 FGEDHN Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@H](C)C#N)CC1 ZINC000546256300 503688138 /nfs/dbraw/zinc/68/81/38/503688138.db2.gz VCMXPFJISNWRTA-GFCCVEGCSA-N 0 3 364.287 3.111 20 30 FGEDHN Cc1cccc([C@H](CNCc2ccc(C#N)cc2F)N2CCOCC2)c1 ZINC000532990066 503691245 /nfs/dbraw/zinc/69/12/45/503691245.db2.gz OZGKWMXWYGTIQN-NRFANRHFSA-N 0 3 353.441 3.169 20 30 FGEDHN C[C@]1(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO[C@@H]1C1CC1 ZINC000543239650 503693645 /nfs/dbraw/zinc/69/36/45/503693645.db2.gz RGCJUTITVKPEBD-QUCCMNQESA-N 0 3 373.522 3.374 20 30 FGEDHN CC(C)OCc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527162764 503703620 /nfs/dbraw/zinc/70/36/20/503703620.db2.gz HPRVWRHTHOKWDC-OAQYLSRUSA-N 0 3 361.445 3.482 20 30 FGEDHN COc1ccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000529836368 503726277 /nfs/dbraw/zinc/72/62/77/503726277.db2.gz SMYNBGZNQJUTQU-YOEHRIQHSA-N 0 3 363.417 3.135 20 30 FGEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000540398007 503758743 /nfs/dbraw/zinc/75/87/43/503758743.db2.gz LLKPPBPLMHPRNG-JKSUJKDBSA-N 0 3 351.512 3.238 20 30 FGEDHN C[C@@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(C#N)c(F)c1 ZINC000540708364 503863127 /nfs/dbraw/zinc/86/31/27/503863127.db2.gz VNTSDVQEUOXVSD-UONOGXRCSA-N 0 3 350.397 3.147 20 30 FGEDHN N#CCC1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000543774037 503886309 /nfs/dbraw/zinc/88/63/09/503886309.db2.gz QDTZNWCSKQXJPG-HXUWFJFHSA-N 0 3 354.498 3.376 20 30 FGEDHN N#CCC1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000543777298 503887797 /nfs/dbraw/zinc/88/77/97/503887797.db2.gz TXEFIPSJJOQKKN-KRWDZBQOSA-N 0 3 360.527 3.295 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000518085766 503905597 /nfs/dbraw/zinc/90/55/97/503905597.db2.gz RCWCXGCXWONGCK-UHFFFAOYSA-N 0 3 365.543 3.335 20 30 FGEDHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000540953351 503952962 /nfs/dbraw/zinc/95/29/62/503952962.db2.gz FLNXAJRHWMVSHO-VQTJNVASSA-N 0 3 361.445 3.339 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000541111590 504012399 /nfs/dbraw/zinc/01/23/99/504012399.db2.gz IHWXNXJGUVBPFS-LLFIXNMYSA-N 0 3 373.518 3.243 20 30 FGEDHN Cc1nc(SCC(=O)NCCN2[C@H](C)CCC[C@H]2C)c(C#N)c(C)c1C ZINC000518598959 504025024 /nfs/dbraw/zinc/02/50/24/504025024.db2.gz IELXSLFLUCWIGD-ZIAGYGMSSA-N 0 3 374.554 3.350 20 30 FGEDHN C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCCC[C@@H]1C ZINC000544299252 504078661 /nfs/dbraw/zinc/07/86/61/504078661.db2.gz LBYHNNGVPMZGOJ-DLBZAZTESA-N 0 3 354.498 3.495 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(C#N)c1 ZINC000530913528 504128198 /nfs/dbraw/zinc/12/81/98/504128198.db2.gz WVXNOHASTPMDEX-NRFANRHFSA-N 0 3 362.477 3.009 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528288275 504149612 /nfs/dbraw/zinc/14/96/12/504149612.db2.gz MHUNABKTZRTFQL-NJDAHSKKSA-N 0 3 366.509 3.485 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CCOCC2)[C@H]1C ZINC000544546637 504169669 /nfs/dbraw/zinc/16/96/69/504169669.db2.gz BQFGSTKCIXTLMV-UISNHOIMSA-N 0 3 361.530 3.197 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCc2c[nH]c3ccccc23)CC1 ZINC000519355495 504199647 /nfs/dbraw/zinc/19/96/47/504199647.db2.gz XGGVSQUTMHRSCK-UHFFFAOYSA-N 0 3 354.498 3.440 20 30 FGEDHN CN(CCCNC(=O)NCc1ccc(CC#N)cc1)Cc1ccccc1 ZINC000519392196 504210365 /nfs/dbraw/zinc/21/03/65/504210365.db2.gz UNFIZGUUZMURFE-UHFFFAOYSA-N 0 3 350.466 3.074 20 30 FGEDHN C=CCNC(=O)c1ccc(N2CCN(Cc3ccccc3)[C@H](CC)C2)nc1 ZINC000544700585 504225106 /nfs/dbraw/zinc/22/51/06/504225106.db2.gz BNJMRQYSUQZGGS-HXUWFJFHSA-N 0 3 364.493 3.098 20 30 FGEDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528488067 504243287 /nfs/dbraw/zinc/24/32/87/504243287.db2.gz NIYHUEFLCDYNCT-CTNGQTDRSA-N 0 3 354.425 3.101 20 30 FGEDHN Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)n(C2CCN(C)CC2)n1 ZINC000531427405 504302359 /nfs/dbraw/zinc/30/23/59/504302359.db2.gz ZAGPPZJBQSHURD-HNNXBMFYSA-N 0 3 366.469 3.213 20 30 FGEDHN Cc1cc(CN)cc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528698868 504337157 /nfs/dbraw/zinc/33/71/57/504337157.db2.gz XULXLZAGLLFKGV-UHFFFAOYSA-N 0 3 364.449 3.153 20 30 FGEDHN N#Cc1ccc(C2(NC[C@H](O)c3ccc(F)cc3F)CCOCC2)cc1 ZINC000528784420 504379518 /nfs/dbraw/zinc/37/95/18/504379518.db2.gz SRIHBGFAYGCLEP-IBGZPJMESA-N 0 3 358.388 3.165 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)CC1 ZINC000542264516 504429981 /nfs/dbraw/zinc/42/99/81/504429981.db2.gz YQRVNMGOWYUSKX-UZLBHIALSA-N 0 3 357.498 3.438 20 30 FGEDHN CC[C@H](c1cccc(OC)c1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000520211349 504436289 /nfs/dbraw/zinc/43/62/89/504436289.db2.gz DHAMCBBQNULNGM-WIYYLYMNSA-N 0 3 354.450 3.390 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1Cl ZINC000528922059 504450983 /nfs/dbraw/zinc/45/09/83/504450983.db2.gz XBADDJJTACWXFU-VKIMUTANSA-N 0 3 364.829 3.055 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000520461615 504504818 /nfs/dbraw/zinc/50/48/18/504504818.db2.gz NDWGDSATGBETJN-ZWKOTPCHSA-N 0 3 353.514 3.282 20 30 FGEDHN COc1ccc([C@H](NCC(=O)NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000539243175 504509546 /nfs/dbraw/zinc/50/95/46/504509546.db2.gz JXSMXOXBJJJGJV-OAQYLSRUSA-N 0 3 351.450 3.170 20 30 FGEDHN C=CC1CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000532160324 504553544 /nfs/dbraw/zinc/55/35/44/504553544.db2.gz XDJJPIJWCAVUPI-UHFFFAOYSA-N 0 3 356.388 3.142 20 30 FGEDHN COCc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1C#N ZINC000529212425 504586712 /nfs/dbraw/zinc/58/67/12/504586712.db2.gz LORWADQQGFTFBI-UXHICEINSA-N 0 3 364.449 3.272 20 30 FGEDHN N#Cc1ccc(CNCCN2CCN(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000539525200 504598958 /nfs/dbraw/zinc/59/89/58/504598958.db2.gz YLDIRNNQTJYEFT-UHFFFAOYSA-N 0 3 372.875 3.263 20 30 FGEDHN C[C@H](NCc1ccc(CN2CCOCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000539602765 504622964 /nfs/dbraw/zinc/62/29/64/504622964.db2.gz PZPUVPRJXCTHDE-INIZCTEOSA-N 0 3 353.441 3.380 20 30 FGEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000521114419 504653251 /nfs/dbraw/zinc/65/32/51/504653251.db2.gz BJVPGZZKSBVETJ-IRXDYDNUSA-N 0 3 361.873 3.478 20 30 FGEDHN Cc1nc([C@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000539767837 504679941 /nfs/dbraw/zinc/67/99/41/504679941.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 0 3 364.371 3.243 20 30 FGEDHN Cc1n[nH]c([C@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000539767837 504679945 /nfs/dbraw/zinc/67/99/45/504679945.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 0 3 364.371 3.243 20 30 FGEDHN Cc1nnc([C@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH]1 ZINC000539767837 504679951 /nfs/dbraw/zinc/67/99/51/504679951.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 0 3 364.371 3.243 20 30 FGEDHN C[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000532571848 504696744 /nfs/dbraw/zinc/69/67/44/504696744.db2.gz HTKPZXLRVFLDGP-HUUCEWRRSA-N 0 3 352.400 3.294 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)CC1 ZINC000521573604 504758796 /nfs/dbraw/zinc/75/87/96/504758796.db2.gz IEIBRTBYJNKVHT-MRXNPFEDSA-N 0 3 369.513 3.481 20 30 FGEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000521647844 504768600 /nfs/dbraw/zinc/76/86/00/504768600.db2.gz CKOOXTWEWPECFV-HNNXBMFYSA-N 0 3 365.408 3.456 20 30 FGEDHN CN1CCC[C@@H](CNc2nc3c(cc2C#N)COCC3)[C@@H]1c1cccs1 ZINC000556200421 504818649 /nfs/dbraw/zinc/81/86/49/504818649.db2.gz IKWUIFAXMBRTEU-IFXJQAMLSA-N 0 3 368.506 3.004 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3c2OCC[C@H]3OC)CC1 ZINC000562623004 504883571 /nfs/dbraw/zinc/88/35/71/504883571.db2.gz FSNHQJGVZGEVJG-GOSISDBHSA-N 0 3 359.470 3.319 20 30 FGEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000556595066 504914116 /nfs/dbraw/zinc/91/41/16/504914116.db2.gz OUMLMFHFOWUFBU-CQSZACIVSA-N 0 3 374.448 3.341 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000559845033 504936395 /nfs/dbraw/zinc/93/63/95/504936395.db2.gz JCSGGJSLHBCRGM-HXUWFJFHSA-N 0 3 362.477 3.019 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000553672656 504978715 /nfs/dbraw/zinc/97/87/15/504978715.db2.gz MPJRDCLYMNMHID-NRFANRHFSA-N 0 3 365.477 3.307 20 30 FGEDHN N#CCc1ccc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000556832932 504989255 /nfs/dbraw/zinc/98/92/55/504989255.db2.gz NGRCPOUUEJDMCJ-UHFFFAOYSA-N 0 3 356.429 3.263 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000562961809 505000681 /nfs/dbraw/zinc/00/06/81/505000681.db2.gz OFSPCFNCDFGNBS-RCCFBDPRSA-N 0 3 365.458 3.339 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000565850745 505006273 /nfs/dbraw/zinc/00/62/73/505006273.db2.gz HCMJQMXYJAQUQW-NHCUHLMSSA-N 0 3 365.477 3.496 20 30 FGEDHN Cc1cc(C)cc(C[C@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000562995949 505013874 /nfs/dbraw/zinc/01/38/74/505013874.db2.gz NAFBQDQKWUINDK-KRWDZBQOSA-N 0 3 356.491 3.170 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000553922330 505043796 /nfs/dbraw/zinc/04/37/96/505043796.db2.gz SMOLJAHXPUMDTG-UHFFFAOYSA-N 0 3 357.832 3.381 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000553957832 505053136 /nfs/dbraw/zinc/05/31/36/505053136.db2.gz RCDUPAHICANLON-QGZVFWFLSA-N 0 3 360.841 3.312 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccccc2C(F)(F)F)cc1 ZINC000566106675 505083385 /nfs/dbraw/zinc/08/33/85/505083385.db2.gz WUDBTFNOOCUBFR-MRXNPFEDSA-N 0 3 364.367 3.301 20 30 FGEDHN C[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000566112516 505084995 /nfs/dbraw/zinc/08/49/95/505084995.db2.gz PBIGSHBSKAQBLA-CYBMUJFWSA-N 0 3 364.417 3.003 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCC1 ZINC000560494135 505103268 /nfs/dbraw/zinc/10/32/68/505103268.db2.gz FJVMPUMMNKGNSN-CVEARBPZSA-N 0 3 365.399 3.494 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000563366391 505122062 /nfs/dbraw/zinc/12/20/62/505122062.db2.gz YMFQAWWGEBSLHZ-PMACEKPBSA-N 0 3 369.509 3.014 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(C#N)cc1OC)c1ccco1 ZINC000554299469 505138742 /nfs/dbraw/zinc/13/87/42/505138742.db2.gz WQHLBEIMLXYFRD-XJKSGUPXSA-N 0 3 356.426 3.411 20 30 FGEDHN C[C@@]1(NC(=O)c2ncc(C#N)cc2Cl)CCN(Cc2ccccc2)C1 ZINC000566319826 505143885 /nfs/dbraw/zinc/14/38/85/505143885.db2.gz UXPVBIISPWCWIF-LJQANCHMSA-N 0 3 354.841 3.001 20 30 FGEDHN CC(C)(CNCc1cccc(OCc2ccccc2C#N)c1)OCCO ZINC000557505436 505152080 /nfs/dbraw/zinc/15/20/80/505152080.db2.gz LOJRLHAZPYMYEH-UHFFFAOYSA-N 0 3 354.450 3.014 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000563692900 505213271 /nfs/dbraw/zinc/21/32/71/505213271.db2.gz OIAYYBIHFZZVRE-UHFFFAOYSA-N 0 3 366.490 3.259 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000554589434 505214994 /nfs/dbraw/zinc/21/49/94/505214994.db2.gz RMAPCZLLGYMIKN-OAQYLSRUSA-N 0 3 363.461 3.063 20 30 FGEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000566593095 505215118 /nfs/dbraw/zinc/21/51/18/505215118.db2.gz XCBYGICWNFSLOG-XJUOHMSHSA-N 0 3 364.489 3.098 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1OC ZINC000563744791 505226201 /nfs/dbraw/zinc/22/62/01/505226201.db2.gz WCGGMBKZYJMCSB-GOSISDBHSA-N 0 3 372.440 3.432 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N[C@@H](C)CN3CCCCC3)c2c1 ZINC000561121351 505256531 /nfs/dbraw/zinc/25/65/31/505256531.db2.gz NIAGHTBAZKLPCQ-AWEZNQCLSA-N 0 3 354.454 3.410 20 30 FGEDHN C[C@H](OCCCNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000563927487 505278041 /nfs/dbraw/zinc/27/80/41/505278041.db2.gz ICTYPGVMMDVMMU-KRWDZBQOSA-N 0 3 372.490 3.089 20 30 FGEDHN N#Cc1cccc(OCCN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000564160282 505342232 /nfs/dbraw/zinc/34/22/32/505342232.db2.gz IMXRHPAXOCQSQN-OAQYLSRUSA-N 0 3 354.425 3.003 20 30 FGEDHN Cc1ccc(C(C)(C)CNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000564202158 505350963 /nfs/dbraw/zinc/35/09/63/505350963.db2.gz AEUARQOCUHQEFL-UHFFFAOYSA-N 0 3 356.491 3.208 20 30 FGEDHN CN(C)C[C@H](NC(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000555113139 505353307 /nfs/dbraw/zinc/35/33/07/505353307.db2.gz IORZVZOGWDLRJH-SFHVURJKSA-N 0 3 356.857 3.314 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000564384052 505402475 /nfs/dbraw/zinc/40/24/75/505402475.db2.gz GSGKFDLPBXFYNG-HZPDHXFCSA-N 0 3 357.477 3.113 20 30 FGEDHN N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1nccc2ccccc21 ZINC000552112101 505403663 /nfs/dbraw/zinc/40/36/63/505403663.db2.gz KJSXLTFUMUVAPQ-SFHVURJKSA-N 0 3 353.385 3.365 20 30 FGEDHN N#CC(C(=O)c1cnnn1Cc1ccccc1)c1nccc2ccccc21 ZINC000552112101 505403667 /nfs/dbraw/zinc/40/36/67/505403667.db2.gz KJSXLTFUMUVAPQ-SFHVURJKSA-N 0 3 353.385 3.365 20 30 FGEDHN C=C(C)COc1cc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1OC ZINC000552147343 505415873 /nfs/dbraw/zinc/41/58/73/505415873.db2.gz YJJWRHJDSIQAFF-RTWAWAEBSA-N 0 3 361.482 3.060 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000552214848 505430871 /nfs/dbraw/zinc/43/08/71/505430871.db2.gz OQEYJSPBJXIRIY-YLJYHZDGSA-N 0 3 370.424 3.135 20 30 FGEDHN C[C@@H]1CN(CCCNc2cccc(Br)c2C#N)CCCO1 ZINC000558608309 505438283 /nfs/dbraw/zinc/43/82/83/505438283.db2.gz NICPAPNYDMBSQK-CYBMUJFWSA-N 0 3 352.276 3.234 20 30 FGEDHN C[C@@H]1C[C@H](NC2CCN(c3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000552277499 505448086 /nfs/dbraw/zinc/44/80/86/505448086.db2.gz WICPOCUBEJXPEN-VGSWGCGISA-N 0 3 374.488 3.311 20 30 FGEDHN C[C@@H]1C[C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000552277498 505448342 /nfs/dbraw/zinc/44/83/42/505448342.db2.gz WICPOCUBEJXPEN-VGOFRKELSA-N 0 3 374.488 3.311 20 30 FGEDHN C=CCOc1cccc(CN(C)CCn2cc(Br)cn2)c1 ZINC000561987578 505486491 /nfs/dbraw/zinc/48/64/91/505486491.db2.gz LJIDBBWQBGVELP-UHFFFAOYSA-N 0 3 350.260 3.342 20 30 FGEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000559047243 505556804 /nfs/dbraw/zinc/55/68/04/505556804.db2.gz PRLUQIPVLQUAPH-LEWJYISDSA-N 0 3 362.477 3.237 20 30 FGEDHN N#CCCC1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000564915077 505557237 /nfs/dbraw/zinc/55/72/37/505557237.db2.gz APLNZNBEZSPTQV-INIZCTEOSA-N 0 3 367.287 3.205 20 30 FGEDHN CN1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000552804363 505557561 /nfs/dbraw/zinc/55/75/61/505557561.db2.gz CSQMCWCEYXKRCU-YADHBBJMSA-N 0 3 361.489 3.144 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc1 ZINC000608057923 506401425 /nfs/dbraw/zinc/40/14/25/506401425.db2.gz IHGUXKDMQHFRSL-NRFANRHFSA-N 0 3 363.461 3.180 20 30 FGEDHN N#Cc1cccc(NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596436739 506403790 /nfs/dbraw/zinc/40/37/90/506403790.db2.gz QCPWFBPOEWKVBE-UHFFFAOYSA-N 0 3 351.410 3.186 20 30 FGEDHN N#Cc1cc(NCC2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000596441100 506405656 /nfs/dbraw/zinc/40/56/56/506405656.db2.gz NHSBDKMKJBZRCR-UHFFFAOYSA-N 0 3 351.410 3.186 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)CCN1Cc1ccccc1 ZINC000612135351 506455779 /nfs/dbraw/zinc/45/57/79/506455779.db2.gz FIIBMAMPKMDYSJ-YFVAEKQCSA-N 0 3 354.498 3.375 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2Cc2cc(F)ccc2F)CCOCC1 ZINC000599439333 506456782 /nfs/dbraw/zinc/45/67/82/506456782.db2.gz OLKDIHWLBCKOCA-ZWKOTPCHSA-N 0 3 364.436 3.043 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)cc1 ZINC000593196014 506457307 /nfs/dbraw/zinc/45/73/07/506457307.db2.gz CPGGJLFHIHQIEY-HEHGZKQESA-N 0 3 363.483 3.319 20 30 FGEDHN COc1cc(C)c([C@@H](C)NCc2cnc3ccc(C#N)cn23)cc1OC ZINC000582895967 506477452 /nfs/dbraw/zinc/47/74/52/506477452.db2.gz LSCIRZIBHAFBGM-CQSZACIVSA-N 0 3 350.422 3.382 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H](C#N)CCc2ccccc2)cc1 ZINC000582922169 506489995 /nfs/dbraw/zinc/48/99/95/506489995.db2.gz NFJTXFINUIZKRS-PZJWPPBQSA-N 0 3 365.477 3.187 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H]3CC[C@@H](C1)S3)CCC2 ZINC000599552933 506497764 /nfs/dbraw/zinc/49/77/64/506497764.db2.gz KWQZAOAUURRBRC-OLZOCXBDSA-N 0 3 361.536 3.407 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000596657227 506514987 /nfs/dbraw/zinc/51/49/87/506514987.db2.gz KEEYRUXEAXTAJK-KRWDZBQOSA-N 0 3 360.458 3.165 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)N2Cc3cccc(C#N)c3C2)N(C)C)cc1 ZINC000593295760 506519887 /nfs/dbraw/zinc/51/98/87/506519887.db2.gz PFLUNMOLIQFGPX-NRFANRHFSA-N 0 3 362.477 3.449 20 30 FGEDHN COc1ccc(C(C)(C)NC[C@@H](O)COc2ccc(CC#N)cc2)cc1F ZINC000599597503 506521411 /nfs/dbraw/zinc/52/14/11/506521411.db2.gz FPNZPGCBCYFGGK-QGZVFWFLSA-N 0 3 372.440 3.165 20 30 FGEDHN N#CCc1cccc2c1CCN(C(=O)Nc1ccc3c(c1F)CCNC3)C2 ZINC000599607099 506527826 /nfs/dbraw/zinc/52/78/26/506527826.db2.gz KYMOOHRLVQSMBF-UHFFFAOYSA-N 0 3 364.424 3.128 20 30 FGEDHN COc1ccc(COCCNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599631303 506540429 /nfs/dbraw/zinc/54/04/29/506540429.db2.gz QTVPPZQZGLRRQR-UHFFFAOYSA-N 0 3 366.461 3.379 20 30 FGEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cc(C)ccc1C ZINC000599645617 506549424 /nfs/dbraw/zinc/54/94/24/506549424.db2.gz RANWLZPCFYZPDA-SFHVURJKSA-N 0 3 357.479 3.085 20 30 FGEDHN C[C@@]1(C#N)CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000596706357 506550532 /nfs/dbraw/zinc/55/05/32/506550532.db2.gz CMDCHBFKKACDBO-IBGZPJMESA-N 0 3 358.511 3.045 20 30 FGEDHN N#CCc1cccc2c1CCN(C[C@H](O)COCc1ccccc1Cl)C2 ZINC000599686733 506581097 /nfs/dbraw/zinc/58/10/97/506581097.db2.gz XBXXXRZZBYUDCU-IBGZPJMESA-N 0 3 370.880 3.342 20 30 FGEDHN CC(C)CCOC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000603684470 506593919 /nfs/dbraw/zinc/59/39/19/506593919.db2.gz SQCAFMYTMBDFFR-LJQANCHMSA-N 0 3 360.498 3.019 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(CCOCC2)[C@H]1C ZINC000612540228 506616789 /nfs/dbraw/zinc/61/67/89/506616789.db2.gz UDVMLAPNTOQVAR-UONOGXRCSA-N 0 3 361.873 3.430 20 30 FGEDHN CCOC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2nc3ccccc3n2C)c1C ZINC000603835287 506628707 /nfs/dbraw/zinc/62/87/07/506628707.db2.gz RGCYSPUIZNGFEJ-CYBMUJFWSA-N 0 3 364.405 3.185 20 30 FGEDHN CN(CCCOc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000603844594 506631682 /nfs/dbraw/zinc/63/16/82/506631682.db2.gz RKXSKMKNOSFBMK-GOSISDBHSA-N 0 3 374.868 3.352 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCC2(C#N)CCCCC2)cc1 ZINC000596857625 506640989 /nfs/dbraw/zinc/64/09/89/506640989.db2.gz QMDKYESVNFZATQ-GOSISDBHSA-N 0 3 358.486 3.071 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000608811785 506717188 /nfs/dbraw/zinc/71/71/88/506717188.db2.gz RDQJNTDGXFWBOF-MRXNPFEDSA-N 0 3 367.449 3.192 20 30 FGEDHN COc1ccc(F)c(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593693192 506734030 /nfs/dbraw/zinc/73/40/30/506734030.db2.gz RZTZYJSCIINEQV-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000590194686 506762023 /nfs/dbraw/zinc/76/20/23/506762023.db2.gz FYTDWKIXYUZQSB-LLVKDONJSA-N 0 3 356.239 3.001 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCCCC1 ZINC000593760826 506765570 /nfs/dbraw/zinc/76/55/70/506765570.db2.gz DSGPUJZKZRZWFX-UHFFFAOYSA-N 0 3 364.497 3.315 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2onc(CC)c2c1)C(C)C ZINC000590319186 506792500 /nfs/dbraw/zinc/79/25/00/506792500.db2.gz AKRCWFZTFYXIMN-SFHVURJKSA-N 0 3 356.470 3.214 20 30 FGEDHN C=CCN(CCC#N)C(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000590408721 506814204 /nfs/dbraw/zinc/81/42/04/506814204.db2.gz BQHIXFLIHBYVJT-SFHVURJKSA-N 0 3 355.482 3.482 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000604521382 506860000 /nfs/dbraw/zinc/86/00/00/506860000.db2.gz GTVKGACSGKPTNT-SLYNCCJLSA-N 0 3 357.498 3.094 20 30 FGEDHN N#Cc1ccc(CSCC(=O)NC[C@H]2CCN2C2CCCCC2)cc1 ZINC000600229508 506861484 /nfs/dbraw/zinc/86/14/84/506861484.db2.gz USVIYZPNOHBWGL-LJQANCHMSA-N 0 3 357.523 3.315 20 30 FGEDHN N#CCCCCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593997289 506873583 /nfs/dbraw/zinc/87/35/83/506873583.db2.gz ZKXZBTXVOMXIDI-GOSISDBHSA-N 0 3 351.454 3.353 20 30 FGEDHN C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000609516468 506906768 /nfs/dbraw/zinc/90/67/68/506906768.db2.gz WWIVRISPKNAJAH-GOSISDBHSA-N 0 3 357.498 3.344 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597355171 506910114 /nfs/dbraw/zinc/91/01/14/506910114.db2.gz JJTIIAUMONIVLZ-VLIAUNLRSA-N 0 3 369.415 3.477 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594199431 507003193 /nfs/dbraw/zinc/00/31/93/507003193.db2.gz YZXJAORMKROBSR-HZPDHXFCSA-N 0 3 362.271 3.067 20 30 FGEDHN C[C@](CO)(NCCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000609799737 507006490 /nfs/dbraw/zinc/00/64/90/507006490.db2.gz GEYQGPGRUXYNNH-GOSISDBHSA-N 0 3 364.367 3.453 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc(C#N)n2)CC1 ZINC000590885094 507016739 /nfs/dbraw/zinc/01/67/39/507016739.db2.gz WXALXNGWFNQJSR-UHFFFAOYSA-N 0 3 370.840 3.332 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)c1ccco1 ZINC000594247159 507039846 /nfs/dbraw/zinc/03/98/46/507039846.db2.gz AZQIIIZRFVMGQO-KDOFPFPSSA-N 0 3 352.438 3.306 20 30 FGEDHN COC[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000591015700 507079195 /nfs/dbraw/zinc/07/91/95/507079195.db2.gz CPNAOWGXBKZCOF-UONOGXRCSA-N 0 3 361.511 3.184 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000600718534 507080703 /nfs/dbraw/zinc/08/07/03/507080703.db2.gz QELBPNPABVMYMN-AWEZNQCLSA-N 0 3 360.351 3.005 20 30 FGEDHN Cc1c2cc(F)ccc2oc1CNC[C@H](O)COc1ccccc1C#N ZINC000600721060 507081517 /nfs/dbraw/zinc/08/15/17/507081517.db2.gz KMBKYIHWWSASOD-INIZCTEOSA-N 0 3 354.381 3.282 20 30 FGEDHN Cc1[nH]c2c(cc(C)cc2CNC[C@@H](O)COc2ccccc2C#N)c1C ZINC000600720653 507082484 /nfs/dbraw/zinc/08/24/84/507082484.db2.gz ISPCKAOWJWPFOK-LJQANCHMSA-N 0 3 363.461 3.494 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@@H](O)COc1ccccc1C#N ZINC000600727506 507085677 /nfs/dbraw/zinc/08/56/77/507085677.db2.gz WTARSVVMFTZYRJ-QMIHWGKISA-N 0 3 374.868 3.317 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNC[C@H](c1ccccc1)C(F)(F)F ZINC000600733137 507088720 /nfs/dbraw/zinc/08/87/20/507088720.db2.gz BSSWICXBYDCGKK-IAGOWNOFSA-N 0 3 364.367 3.234 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@H]4COC[C@@H]43)sc2C1 ZINC000591040949 507090180 /nfs/dbraw/zinc/09/01/80/507090180.db2.gz HZZNJFCLCLCSMX-VBQJREDUSA-N 0 3 373.522 3.184 20 30 FGEDHN N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000597776075 507095222 /nfs/dbraw/zinc/09/52/22/507095222.db2.gz LHYVFGKHBBJDNA-IBGZPJMESA-N 0 3 363.436 3.499 20 30 FGEDHN C[C@@H]1CC(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000610101796 507101293 /nfs/dbraw/zinc/10/12/93/507101293.db2.gz CWZMJJZTRRALFB-IRXDYDNUSA-N 0 3 356.514 3.456 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CCC2)cc1 ZINC000594404042 507116942 /nfs/dbraw/zinc/11/69/42/507116942.db2.gz RWVUPPWIPWYXTL-HXUWFJFHSA-N 0 3 374.488 3.361 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000594429199 507127373 /nfs/dbraw/zinc/12/73/73/507127373.db2.gz RHQPEEIFCIFRAD-GOSISDBHSA-N 0 3 356.470 3.053 20 30 FGEDHN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594432066 507129427 /nfs/dbraw/zinc/12/94/27/507129427.db2.gz WJTAMMRHCQQFIX-KRWDZBQOSA-N 0 3 356.470 3.017 20 30 FGEDHN COc1cccc(-c2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)c1 ZINC000594433316 507130953 /nfs/dbraw/zinc/13/09/53/507130953.db2.gz NNZPTGIEKGXVAQ-HXUWFJFHSA-N 0 3 351.450 3.390 20 30 FGEDHN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594435081 507131589 /nfs/dbraw/zinc/13/15/89/507131589.db2.gz AIKSFIBZESLMNB-HNNXBMFYSA-N 0 3 355.467 3.286 20 30 FGEDHN Cc1ccc(C[C@H](NC(=O)[C@@H](N)CCCCC#N)c2ccccn2)cc1 ZINC000594436617 507132522 /nfs/dbraw/zinc/13/25/22/507132522.db2.gz DWRIESRWCNWULA-ICSRJNTNSA-N 0 3 350.466 3.201 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000594438387 507133769 /nfs/dbraw/zinc/13/37/69/507133769.db2.gz NDPQDTRLGYPMTH-IAGOWNOFSA-N 0 3 367.453 3.201 20 30 FGEDHN CC(C)(Cc1ccc(Br)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594437365 507133788 /nfs/dbraw/zinc/13/37/88/507133788.db2.gz LQFAHELKYXRVBR-HNNXBMFYSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000594440996 507135102 /nfs/dbraw/zinc/13/51/02/507135102.db2.gz KMRAVMFDYVGKDR-ROUUACIJSA-N 0 3 362.905 3.004 20 30 FGEDHN COc1ccc(-c2ccc(CNC(=O)[C@H](N)CCCCC#N)s2)cc1 ZINC000594445118 507137176 /nfs/dbraw/zinc/13/71/76/507137176.db2.gz ACTIEEYKZWTCOP-QGZVFWFLSA-N 0 3 357.479 3.451 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000594462263 507142376 /nfs/dbraw/zinc/14/23/76/507142376.db2.gz AXWZYVVUXFEFPK-NSHDSACASA-N 0 3 367.525 3.242 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000594511831 507163300 /nfs/dbraw/zinc/16/33/00/507163300.db2.gz QODFCERRSBWQPC-QFIPXVFZSA-N 0 3 374.488 3.066 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000613579971 507166267 /nfs/dbraw/zinc/16/62/67/507166267.db2.gz KMUDXZIJNADJNR-FPOVZHCZSA-N 0 3 356.514 3.478 20 30 FGEDHN C[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000594515826 507166883 /nfs/dbraw/zinc/16/68/83/507166883.db2.gz SEXZBNCIVLTHCL-AWEZNQCLSA-N 0 3 354.454 3.026 20 30 FGEDHN N#Cc1cc(NCC2(N3CCSCC3)CCCC2)c2ccccc2n1 ZINC000610273240 507171650 /nfs/dbraw/zinc/17/16/50/507171650.db2.gz FRBGMKBMIIQEAS-UHFFFAOYSA-N 0 3 352.507 3.302 20 30 FGEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1C(F)(F)F ZINC000610331078 507197862 /nfs/dbraw/zinc/19/78/62/507197862.db2.gz OZWYGHMMWZXHSZ-AWEZNQCLSA-N 0 3 352.360 3.183 20 30 FGEDHN CC1CCC(N2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)CC1 ZINC000610369625 507216559 /nfs/dbraw/zinc/21/65/59/507216559.db2.gz IJIYRRBVCUMQBP-UHFFFAOYSA-N 0 3 365.481 3.305 20 30 FGEDHN COc1ccccc1C[C@@H](C)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370664 507217077 /nfs/dbraw/zinc/21/70/77/507217077.db2.gz MOKPNQQFLZJARP-YLJYHZDGSA-N 0 3 368.477 3.064 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3cccc(C#N)n3)sc2c1)C1CC1 ZINC000598027056 507224422 /nfs/dbraw/zinc/22/44/22/507224422.db2.gz FVSACANLELZCLP-UHFFFAOYSA-N 0 3 363.446 3.409 20 30 FGEDHN N#CC1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC2(CC2)C1 ZINC000601022927 507232842 /nfs/dbraw/zinc/23/28/42/507232842.db2.gz STZLERZMGWVMDA-UHFFFAOYSA-N 0 3 355.507 3.300 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)COc1ccc(C#N)cc1 ZINC000610446074 507244114 /nfs/dbraw/zinc/24/41/14/507244114.db2.gz PBJNLRDFWMLZRN-GOSISDBHSA-N 0 3 363.461 3.060 20 30 FGEDHN CC(C)(CCNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000610497422 507264423 /nfs/dbraw/zinc/26/44/23/507264423.db2.gz GYMLQRDHTRUTOH-UHFFFAOYSA-N 0 3 356.491 3.289 20 30 FGEDHN CC(C)(CNCc1cccc(OCc2ccccc2C#N)c1)S(C)(=O)=O ZINC000610511621 507271756 /nfs/dbraw/zinc/27/17/56/507271756.db2.gz QXVMHIRYSQIKQK-UHFFFAOYSA-N 0 3 372.490 3.050 20 30 FGEDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1O2 ZINC000610519979 507274658 /nfs/dbraw/zinc/27/46/58/507274658.db2.gz DJCDNQQMDOIZTR-MRXNPFEDSA-N 0 3 367.474 3.338 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(F)(c2ccccn2)CC1 ZINC000584332374 507284733 /nfs/dbraw/zinc/28/47/33/507284733.db2.gz SYBMOBDMMLROQC-UHFFFAOYSA-N 0 3 358.442 3.304 20 30 FGEDHN N#Cc1cnc(NCC2CCN(Cc3ccncc3)CC2)c2sccc21 ZINC000601194206 507291401 /nfs/dbraw/zinc/29/14/01/507291401.db2.gz GAFQVBZEAMIKLL-UHFFFAOYSA-N 0 3 363.490 3.309 20 30 FGEDHN Cc1ccc([C@@H](CNCc2ccc(C3(C#N)CC3)cc2)N2CCOCC2)o1 ZINC000594916533 507313917 /nfs/dbraw/zinc/31/39/17/507313917.db2.gz FHYBKKNVGFJBLG-HXUWFJFHSA-N 0 3 365.477 3.306 20 30 FGEDHN Cc1ccc2cc(CN[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[nH]c2c1 ZINC000594939063 507323058 /nfs/dbraw/zinc/32/30/58/507323058.db2.gz OJTRPFLXGWJJFT-FQEVSTJZSA-N 0 3 358.445 3.239 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000584406164 507329543 /nfs/dbraw/zinc/32/95/43/507329543.db2.gz SSYCTLXBHCEYCK-PKOBYXMFSA-N 0 3 372.465 3.397 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000610722142 507365421 /nfs/dbraw/zinc/36/54/21/507365421.db2.gz MILJCNRIWRMBLK-VAMGGRTRSA-N 0 3 354.498 3.342 20 30 FGEDHN C[C@H](NC[C@@H]1CN(C)CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595099850 507391952 /nfs/dbraw/zinc/39/19/52/507391952.db2.gz PEVCIAYGMMHOPP-FXAWDEMLSA-N 0 3 366.484 3.164 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1OC ZINC000584547551 507404945 /nfs/dbraw/zinc/40/49/45/507404945.db2.gz HHBSCUKKFODJRU-LZLYRXPVSA-N 0 3 358.482 3.062 20 30 FGEDHN Cc1ccccc1C(F)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598393648 507405701 /nfs/dbraw/zinc/40/57/01/507405701.db2.gz ISOMLBUPGZDJBU-KRWDZBQOSA-N 0 3 353.372 3.457 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000601622692 507405883 /nfs/dbraw/zinc/40/58/83/507405883.db2.gz SYRDATCTZSJFNZ-CQSZACIVSA-N 0 3 353.422 3.034 20 30 FGEDHN C[C@@H]1CN(CCCCNc2c(C#N)cnc3c(F)ccc(F)c32)C[C@H](C)O1 ZINC000610864594 507419280 /nfs/dbraw/zinc/41/92/80/507419280.db2.gz KIDKNWVWWQQRJQ-OKILXGFUSA-N 0 3 374.435 3.108 20 30 FGEDHN CC(C)(C)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)c(=O)[nH]1 ZINC000601706012 507434502 /nfs/dbraw/zinc/43/45/02/507434502.db2.gz OFTOQYXTNOHQRQ-INIZCTEOSA-N 0 3 351.450 3.473 20 30 FGEDHN CC(C)(CCC#N)CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000610910712 507440005 /nfs/dbraw/zinc/44/00/05/507440005.db2.gz RACDPAPSGIDVCC-UHFFFAOYSA-N 0 3 355.486 3.179 20 30 FGEDHN C[C@H](O)[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000584783447 507502915 /nfs/dbraw/zinc/50/29/15/507502915.db2.gz FWKBJVWLNGDUAT-YCRPNKLZSA-N 0 3 353.441 3.378 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000598588674 507508567 /nfs/dbraw/zinc/50/85/67/507508567.db2.gz MXJCJRPQSIDHNU-CQSZACIVSA-N 0 3 359.297 3.479 20 30 FGEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000592151490 507510225 /nfs/dbraw/zinc/51/02/25/507510225.db2.gz MLRJASYTEWGCJR-OAQYLSRUSA-N 0 3 365.433 3.158 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000595479851 507520071 /nfs/dbraw/zinc/52/00/71/507520071.db2.gz NRYXASIPAUWGHB-SJORKVTESA-N 0 3 360.527 3.295 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592183032 507527506 /nfs/dbraw/zinc/52/75/06/507527506.db2.gz HTXYVFLTROMIRU-KGLIPLIRSA-N 0 3 361.873 3.430 20 30 FGEDHN CCCCN(CC(=O)N(CC)C[C@H](C)C#N)[C@@H]1CCc2ncsc2C1 ZINC000592187271 507529778 /nfs/dbraw/zinc/52/97/78/507529778.db2.gz ISACIHDDDQAHIP-HZPDHXFCSA-N 0 3 362.543 3.111 20 30 FGEDHN CCOc1cncc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000598679495 507549555 /nfs/dbraw/zinc/54/95/55/507549555.db2.gz VMAUXCDVXMDMBE-UHFFFAOYSA-N 0 3 350.466 3.060 20 30 FGEDHN CCCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000592258209 507566706 /nfs/dbraw/zinc/56/67/06/507566706.db2.gz OBVZULSJDUABFR-AWEZNQCLSA-N 0 3 370.375 3.405 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595582068 507573514 /nfs/dbraw/zinc/57/35/14/507573514.db2.gz DXFHIBWLVAKXJU-VQTJNVASSA-N 0 3 356.514 3.478 20 30 FGEDHN N#CCCCOc1cccc(CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000611254038 507582201 /nfs/dbraw/zinc/58/22/01/507582201.db2.gz IBZHBDLWTDMZEC-OAQYLSRUSA-N 0 3 357.498 3.056 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000592359261 507617022 /nfs/dbraw/zinc/61/70/22/507617022.db2.gz XNLFINZEXVFCPO-UHFFFAOYSA-N 0 3 363.889 3.052 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000607183353 507648569 /nfs/dbraw/zinc/64/85/69/507648569.db2.gz DLVGOCOPAUPMOL-CJNGLKHVSA-N 0 3 351.853 3.285 20 30 FGEDHN Cc1ccc(C(=O)NCCN[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000611390539 507659585 /nfs/dbraw/zinc/65/95/85/507659585.db2.gz GMRWMQIEJKKRMR-HXUWFJFHSA-N 0 3 351.425 3.403 20 30 FGEDHN C[C@H]1CN(c2ccc(CN[C@@H]3CCCc4cc(C#N)ccc43)cn2)CCO1 ZINC000611390517 507659595 /nfs/dbraw/zinc/65/95/95/507659595.db2.gz FRPTZVBTWHCTLB-HRAATJIYSA-N 0 3 362.477 3.346 20 30 FGEDHN CC[C@H](CNCc1cnc2c(C#N)cnn2c1)Oc1ccccc1Cl ZINC000592503591 507684677 /nfs/dbraw/zinc/68/46/77/507684677.db2.gz HVLCYGIXSVEJME-OAHLLOKOSA-N 0 3 355.829 3.202 20 30 FGEDHN COC(=O)[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H]1C ZINC000592515923 507690227 /nfs/dbraw/zinc/69/02/27/507690227.db2.gz YUKKUKPYVFJULN-IIBYNOLFSA-N 0 3 364.445 3.378 20 30 FGEDHN N#Cc1cccc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000602522748 507736557 /nfs/dbraw/zinc/73/65/57/507736557.db2.gz WKFGUUBXBMXILI-AWEZNQCLSA-N 0 3 371.282 3.332 20 30 FGEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611555301 507736996 /nfs/dbraw/zinc/73/69/96/507736996.db2.gz WDUZVJUHIWYZRS-FVQBIDKESA-N 0 3 356.388 3.155 20 30 FGEDHN C=CCN1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602539337 507743282 /nfs/dbraw/zinc/74/32/82/507743282.db2.gz JWRQQKSUKZBORX-UHFFFAOYSA-N 0 3 360.277 3.159 20 30 FGEDHN Cc1cc(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)ncc1C#N ZINC000592695305 507767441 /nfs/dbraw/zinc/76/74/41/507767441.db2.gz YMTKIEUBOUEMIZ-HXUWFJFHSA-N 0 3 362.477 3.387 20 30 FGEDHN CC(C)N(C(=O)c1ccc(C#N)n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592694554 507767446 /nfs/dbraw/zinc/76/74/46/507767446.db2.gz HKGAFXBIUTZPAX-IBGZPJMESA-N 0 3 350.466 3.022 20 30 FGEDHN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820420284 599370962 /nfs/dbraw/zinc/37/09/62/599370962.db2.gz ORKVBGVJOYRSEM-OAHLLOKOSA-N 0 3 373.464 3.058 20 30 FGEDHN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420284 599370965 /nfs/dbraw/zinc/37/09/65/599370965.db2.gz ORKVBGVJOYRSEM-OAHLLOKOSA-N 0 3 373.464 3.058 20 30 FGEDHN CC[NH+](CC)Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737088873 600594776 /nfs/dbraw/zinc/59/47/76/600594776.db2.gz TXKOOQUFWNIVAP-FQEVSTJZSA-N 0 3 351.450 3.316 20 30 FGEDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722612 601044049 /nfs/dbraw/zinc/04/40/49/601044049.db2.gz FZRVWQOVGPQRTD-PZJWPPBQSA-N 0 3 363.461 3.138 20 30 FGEDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722612 601044051 /nfs/dbraw/zinc/04/40/51/601044051.db2.gz FZRVWQOVGPQRTD-PZJWPPBQSA-N 0 3 363.461 3.138 20 30 FGEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000041520333 695763137 /nfs/dbraw/zinc/76/31/37/695763137.db2.gz LLKPBCPAOBVBBK-CYBMUJFWSA-N 0 3 356.407 3.450 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)C(C)C ZINC000041855903 695768870 /nfs/dbraw/zinc/76/88/70/695768870.db2.gz PMLAONCPKDFXCO-QGZVFWFLSA-N 0 3 363.889 3.093 20 30 FGEDHN C=C(Br)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000069245478 695948526 /nfs/dbraw/zinc/94/85/26/695948526.db2.gz HHGGHLLWADYJBA-UHFFFAOYSA-N 0 3 366.303 3.031 20 30 FGEDHN C=CCCCOC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000117994543 700606721 /nfs/dbraw/zinc/60/67/21/700606721.db2.gz ZOEZEBYGACNNDY-GFCCVEGCSA-N 0 3 352.228 3.311 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H](C)OCC1CC1 ZINC000120257642 700651410 /nfs/dbraw/zinc/65/14/10/700651410.db2.gz ZOSVXCUPZBBKNQ-YPMHNXCESA-N 0 3 364.829 3.120 20 30 FGEDHN N#Cc1ccc2ncc(CNC[C@@H](O)c3cc(Cl)cc(Cl)c3)n2c1 ZINC000123821435 700710399 /nfs/dbraw/zinc/71/03/99/700710399.db2.gz CZFAYHSSIKSZJH-MRXNPFEDSA-N 0 3 361.232 3.336 20 30 FGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2c(Cl)nc3ccccn32)c1 ZINC000127675498 700764640 /nfs/dbraw/zinc/76/46/40/700764640.db2.gz SYUDEOGMJSIYNG-ZDUSSCGKSA-N 0 3 352.781 3.257 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000129836421 700792672 /nfs/dbraw/zinc/79/26/72/700792672.db2.gz GLUKKFUXFCXUHN-TZMCWYRMSA-N 0 3 352.381 3.137 20 30 FGEDHN N#CC(C(=O)CCn1ccc2cc(Cl)ccc21)C(=O)NC1CCCC1 ZINC000136881686 704865823 /nfs/dbraw/zinc/86/58/23/704865823.db2.gz IGVXIDRHRVLMJC-MRXNPFEDSA-N 0 3 357.841 3.452 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000158186884 705176339 /nfs/dbraw/zinc/17/63/39/705176339.db2.gz ZEKIJTHLBPXCSU-SFHVURJKSA-N 0 3 365.260 3.393 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173943639 705479570 /nfs/dbraw/zinc/47/95/70/705479570.db2.gz MJTRGBDFDPOFHL-CYBMUJFWSA-N 0 3 360.483 3.387 20 30 FGEDHN Cc1nc(Cl)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000179263340 705695532 /nfs/dbraw/zinc/69/55/32/705695532.db2.gz FAGVAOAYMHGVKF-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000193493897 712893331 /nfs/dbraw/zinc/89/33/31/712893331.db2.gz FOAAYAGZMJYCEG-CQSZACIVSA-N 0 3 360.772 3.378 20 30 FGEDHN OC[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000526058084 714400704 /nfs/dbraw/zinc/40/07/04/714400704.db2.gz JMPZKQIPARQANI-LLVKDONJSA-N 0 3 363.273 3.245 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000621247473 714973935 /nfs/dbraw/zinc/97/39/35/714973935.db2.gz VUWHKULTAUHKAH-OAHLLOKOSA-N 0 3 350.409 3.160 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)CN2CCCC2=O)cc1OC ZINC000623363713 715318935 /nfs/dbraw/zinc/31/89/35/715318935.db2.gz BLWDBMWIDBKUKE-ZDUSSCGKSA-N 0 3 352.862 3.014 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2c[nH]c3c2cccc3Cl)CC1 ZINC000623635132 715376064 /nfs/dbraw/zinc/37/60/64/715376064.db2.gz VZRCDUMCVHULTK-UHFFFAOYSA-N 0 3 360.889 3.313 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(F)c2OC(F)(F)F)CC1 ZINC000625323381 715705934 /nfs/dbraw/zinc/70/59/34/715705934.db2.gz WEYODIGMEUIQHR-UHFFFAOYSA-N 0 3 360.351 3.495 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC[C@@H]1CCOC1 ZINC000647115679 718331747 /nfs/dbraw/zinc/33/17/47/718331747.db2.gz UDNUWNKAVPTNPO-QGZVFWFLSA-N 0 3 364.559 3.401 20 30 FGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000780981837 724519017 /nfs/dbraw/zinc/51/90/17/724519017.db2.gz NWJBIGHRHRRDPH-QGZVFWFLSA-N 0 3 369.575 3.435 20 30 FGEDHN C=CCCn1cc(CNCC2(c3ccc(Cl)cc3)CCOCC2)nn1 ZINC000657326150 719625664 /nfs/dbraw/zinc/62/56/64/719625664.db2.gz AXPCXRFVTPCFCP-UHFFFAOYSA-N 0 3 360.889 3.346 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)CC1 ZINC000668083283 721236327 /nfs/dbraw/zinc/23/63/27/721236327.db2.gz GESGELKGRYKNLK-INIZCTEOSA-N 0 3 351.397 3.245 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ccc(O)cc3)n2)CC1 ZINC000730035983 722464633 /nfs/dbraw/zinc/46/46/33/722464633.db2.gz SEOFVOYMEABRBU-UHFFFAOYSA-N 0 3 357.479 3.286 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCC(C)=O ZINC000755747160 722956489 /nfs/dbraw/zinc/95/64/89/722956489.db2.gz AMZYYYRKAMLUTC-GFCCVEGCSA-N 0 3 350.802 3.064 20 30 FGEDHN C=C(Br)CNCc1ccccc1N1CCN(CCC)CC1 ZINC000756116105 722961042 /nfs/dbraw/zinc/96/10/42/722961042.db2.gz ISYUTDMBADMIJF-UHFFFAOYSA-N 0 3 352.320 3.217 20 30 FGEDHN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNCc1ccc(C#N)s1 ZINC000756132939 722961148 /nfs/dbraw/zinc/96/11/48/722961148.db2.gz SQKCBELFGSPMSU-IUODEOHRSA-N 0 3 365.499 3.470 20 30 FGEDHN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000757318249 722975898 /nfs/dbraw/zinc/97/58/98/722975898.db2.gz UCTIJYOIJBMKDB-SCRDCRAPSA-N 0 3 365.524 3.390 20 30 FGEDHN C#CCNC(=S)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000758239794 722986856 /nfs/dbraw/zinc/98/68/56/722986856.db2.gz NHTZBIOMZHBXFD-UHFFFAOYSA-N 0 3 351.519 3.128 20 30 FGEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000763236700 723324883 /nfs/dbraw/zinc/32/48/83/723324883.db2.gz SKZLNFFAJVPXIS-IAGOWNOFSA-N 0 3 373.250 3.468 20 30 FGEDHN C[C@H]1CCSCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000794570023 723531902 /nfs/dbraw/zinc/53/19/02/723531902.db2.gz COFMARPZUDPRJM-ZFWWWQNUSA-N 0 3 352.463 3.051 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@H]1CCCOC1 ZINC000796633421 723647683 /nfs/dbraw/zinc/64/76/83/723647683.db2.gz OJTYRWCKRRBJQX-CHWSQXEVSA-N 0 3 364.829 3.121 20 30 FGEDHN C#CCNC(=O)C1CCN(C[C@H](C)c2cccc(Br)c2)CC1 ZINC000769026160 723674940 /nfs/dbraw/zinc/67/49/40/723674940.db2.gz SUABUXMUZHXHQW-AWEZNQCLSA-N 0 3 363.299 3.014 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)COC1(C)CCC1 ZINC000772971306 723773624 /nfs/dbraw/zinc/77/36/24/723773624.db2.gz KESMVZAGUKVDBN-GFCCVEGCSA-N 0 3 364.829 3.264 20 30 FGEDHN C#CCCCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775527673 723998447 /nfs/dbraw/zinc/99/84/47/723998447.db2.gz SDFGKZXRLRKZAJ-CQSZACIVSA-N 0 3 356.285 3.061 20 30 FGEDHN Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1C#N ZINC000799337207 724014468 /nfs/dbraw/zinc/01/44/68/724014468.db2.gz UBXXVNAFGJRODV-UHFFFAOYSA-N 0 3 357.523 3.348 20 30 FGEDHN CCCCCCCS(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000799819523 724100541 /nfs/dbraw/zinc/10/05/41/724100541.db2.gz LYVNBRKSRFJKKR-LJQANCHMSA-N 0 3 352.544 3.398 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000776518066 724154646 /nfs/dbraw/zinc/15/46/46/724154646.db2.gz UTANTLGBTCQZDI-RWMBFGLXSA-N 0 3 364.829 3.120 20 30 FGEDHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000777534210 724235677 /nfs/dbraw/zinc/23/56/77/724235677.db2.gz ZXQIUPJJVACTMU-UHFFFAOYSA-N 0 3 355.869 3.458 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCCCNC(=O)OC(C)(C)C ZINC000778164462 724305534 /nfs/dbraw/zinc/30/55/34/724305534.db2.gz DMLADLIFDNDSJY-UHFFFAOYSA-N 0 3 352.862 3.356 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCCCOCC1CCOCC1 ZINC000778168818 724305883 /nfs/dbraw/zinc/30/58/83/724305883.db2.gz JVCBMWNABDQFMR-UHFFFAOYSA-N 0 3 351.874 3.275 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCc3ccccc3OC2)cc1Cl ZINC000801575912 724315722 /nfs/dbraw/zinc/31/57/22/724315722.db2.gz MYLDARFQYOGCJR-MRXNPFEDSA-N 0 3 355.825 3.134 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCOCC1 ZINC000786314547 724972487 /nfs/dbraw/zinc/97/24/87/724972487.db2.gz ZWIMWGRAVVTZTM-HZMBPMFUSA-N 0 3 355.221 3.457 20 30 FGEDHN CC(C)(C)c1ncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000808979316 725221867 /nfs/dbraw/zinc/22/18/67/725221867.db2.gz HPQVZJAYFRUBNN-CQSZACIVSA-N 0 3 356.813 3.389 20 30 FGEDHN CC(C)(C)c1ncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000808980158 725222071 /nfs/dbraw/zinc/22/20/71/725222071.db2.gz VEFPNKSQFHRZMN-GFCCVEGCSA-N 0 3 356.813 3.389 20 30 FGEDHN C=CCCCCCCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000811927770 725385085 /nfs/dbraw/zinc/38/50/85/725385085.db2.gz NPQCQAZBPJWLMZ-SFHVURJKSA-N 0 3 351.535 3.408 20 30 FGEDHN C[C@H](OC[C@H]1CCCCO1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211378 726851170 /nfs/dbraw/zinc/85/11/70/726851170.db2.gz JEYZOHIQJVVMMI-IACUBPJLSA-N 0 3 356.344 3.251 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000818588957 727315418 /nfs/dbraw/zinc/31/54/18/727315418.db2.gz KNXWFKDMCACMJK-UHFFFAOYSA-N 0 3 373.547 3.013 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000818609058 727316690 /nfs/dbraw/zinc/31/66/90/727316690.db2.gz IPUXUQIRRBJONS-UHFFFAOYSA-N 0 3 355.869 3.451 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cccn1 ZINC000819943170 728955661 /nfs/dbraw/zinc/95/56/61/728955661.db2.gz OVVUFQGYQOOGNU-IINYFYTJSA-N 0 3 365.220 3.489 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000822836484 729223633 /nfs/dbraw/zinc/22/36/33/729223633.db2.gz GJWKXOJVOWMJKH-QGZVFWFLSA-N 0 3 368.308 3.422 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C(C)C ZINC000823408465 729277333 /nfs/dbraw/zinc/27/73/33/729277333.db2.gz HUJCGUYUQSFXGB-ZDUSSCGKSA-N 0 3 369.303 3.359 20 30 FGEDHN C#CC[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000827115191 729424662 /nfs/dbraw/zinc/42/46/62/729424662.db2.gz YGGKIRVTPXOVHC-VQIMIIECSA-N 0 3 359.539 3.456 20 30 FGEDHN C#Cc1cccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000834901955 729844899 /nfs/dbraw/zinc/84/48/99/729844899.db2.gz CAMXAOQXJAULQJ-INIZCTEOSA-N 0 3 354.475 3.059 20 30 FGEDHN N#CC(C(=O)COCC1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835064017 729854576 /nfs/dbraw/zinc/85/45/76/729854576.db2.gz AESSVUSCWKLXBM-ZDUSSCGKSA-N 0 3 352.793 3.333 20 30 FGEDHN COC[C@@]1(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)CCOC1 ZINC000835067498 729855163 /nfs/dbraw/zinc/85/51/63/729855163.db2.gz HIGRUMBMSMHDLG-KXBFYZLASA-N 0 3 356.447 3.348 20 30 FGEDHN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835341327 729880291 /nfs/dbraw/zinc/88/02/91/729880291.db2.gz TYSJEXAOSGYDAB-QWRGUYRKSA-N 0 3 362.298 3.268 20 30 FGEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000841831568 730279776 /nfs/dbraw/zinc/27/97/76/730279776.db2.gz WLSPXFJSXDZVSZ-UONOGXRCSA-N 0 3 354.479 3.179 20 30 FGEDHN CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844366377 730707984 /nfs/dbraw/zinc/70/79/84/730707984.db2.gz MRCKTIFPSRZSBI-SFHVURJKSA-N 0 3 357.841 3.206 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(COC)c(C(F)(F)F)c2)CC1 ZINC000855705487 731947619 /nfs/dbraw/zinc/94/76/19/731947619.db2.gz IOHLERIRAPUTIW-UHFFFAOYSA-N 0 3 354.372 3.136 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnc(Br)c3ccccc23)CC1 ZINC000857651576 732149149 /nfs/dbraw/zinc/14/91/49/732149149.db2.gz WYMBUPIYRGWDLN-UHFFFAOYSA-N 0 3 372.266 3.281 20 30 FGEDHN C#CCN(C)CCCNC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000861837546 732738467 /nfs/dbraw/zinc/73/84/67/732738467.db2.gz FKLCJPCHTSFOTC-INIZCTEOSA-N 0 3 371.308 3.124 20 30 FGEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CCCN(C)[C@H]2c2cccs2)C1=O ZINC000865304065 733177067 /nfs/dbraw/zinc/17/70/67/733177067.db2.gz ACSJGLJKGOIFAO-VNHYZAJKSA-N 0 3 367.902 3.194 20 30 FGEDHN CC(C)(C)OC(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)CC(F)F ZINC000865594763 733233925 /nfs/dbraw/zinc/23/39/25/733233925.db2.gz ZYWXDKCWSPSSOT-ZDUSSCGKSA-N 0 3 357.376 3.335 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)c3sccc3CC#N)c2)CC1 ZINC000867478169 733487838 /nfs/dbraw/zinc/48/78/38/733487838.db2.gz JRIAPFFRQHVAQN-UHFFFAOYSA-N 0 3 354.479 3.208 20 30 FGEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000870158191 733817666 /nfs/dbraw/zinc/81/76/66/733817666.db2.gz DSMMYWPAPXVJMR-GHMZBOCLSA-N 0 3 369.368 3.406 20 30 FGEDHN N#Cc1c(NC(=O)CN[C@]23CCC[C@H]2OCC3)sc2c1CCCCC2 ZINC000872313393 735615132 /nfs/dbraw/zinc/61/51/32/735615132.db2.gz KNKWNYABCWDTFU-APWZRJJASA-N 0 3 359.495 3.128 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000876550819 736112374 /nfs/dbraw/zinc/11/23/74/736112374.db2.gz LKUYKKXZAXTLJO-LLVKDONJSA-N 0 3 367.858 3.236 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000876610048 736120631 /nfs/dbraw/zinc/12/06/31/736120631.db2.gz QYWWYADSEVLNHR-AWEZNQCLSA-N 0 3 358.269 3.134 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000876653328 736127234 /nfs/dbraw/zinc/12/72/34/736127234.db2.gz MVVHOHYYNRMUKC-HZPDHXFCSA-N 0 3 357.281 3.082 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000876748416 736139963 /nfs/dbraw/zinc/13/99/63/736139963.db2.gz BFPQMWFVAGGNQP-UKRRQHHQSA-N 0 3 356.297 3.061 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000876891024 736158408 /nfs/dbraw/zinc/15/84/08/736158408.db2.gz OIYBXWQBGRPOJI-ZJUUUORDSA-N 0 3 367.824 3.338 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000876893127 736159117 /nfs/dbraw/zinc/15/91/17/736159117.db2.gz IOHDYPPPGKUUML-HNNXBMFYSA-N 0 3 360.889 3.232 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2cc(C#N)cnc2Cl)CC1 ZINC000877459216 736222100 /nfs/dbraw/zinc/22/21/00/736222100.db2.gz HHGFRKBKSPDAQW-HNNXBMFYSA-N 0 3 364.877 3.486 20 30 FGEDHN COc1ccc(N2CC[C@@H](CNCc3cc(C#N)cnc3Cl)C2)cc1 ZINC000877598057 736690384 /nfs/dbraw/zinc/69/03/84/736690384.db2.gz HGAJIXJMDDAZNQ-AWEZNQCLSA-N 0 3 356.857 3.231 20 30 FGEDHN N#Cc1ccc(C2(NC[C@@H](O)c3cc(Br)no3)CCC2)cc1 ZINC000878846522 736925185 /nfs/dbraw/zinc/92/51/85/736925185.db2.gz LAAPCAYPJIHJAG-CYBMUJFWSA-N 0 3 362.227 3.011 20 30 FGEDHN C#CC1(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000883662283 737590403 /nfs/dbraw/zinc/59/04/03/737590403.db2.gz GISNBLVSMWPNFH-UHFFFAOYSA-N 0 3 357.420 3.037 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccccc1SCC(F)(F)F)C2 ZINC000884065666 737630267 /nfs/dbraw/zinc/63/02/67/737630267.db2.gz VXEMWIDVMKORCR-BWBHSNQOSA-N 0 3 369.412 3.419 20 30 FGEDHN CCC[C@@H]1CCc2nc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)sc2C1 ZINC000884114398 737634547 /nfs/dbraw/zinc/63/45/47/737634547.db2.gz PYEFTSOSRJBNFJ-GWMLXNDSSA-N 0 3 358.511 3.126 20 30 FGEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1c(Cl)cccc1Cl ZINC000884120128 737635330 /nfs/dbraw/zinc/63/53/30/737635330.db2.gz FJJRCOAEEGSWQV-HPZFQONSSA-N 0 3 366.292 3.352 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C2 ZINC000884315007 737653982 /nfs/dbraw/zinc/65/39/82/737653982.db2.gz DDGJPKUTGRPHSU-IAZHFHGHSA-N 0 3 355.772 3.019 20 30 FGEDHN C#CCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCN(C)CC1 ZINC000886579881 739271477 /nfs/dbraw/zinc/27/14/77/739271477.db2.gz LWCGWNPCFZEVAM-UHFFFAOYSA-N 0 3 369.690 3.272 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000888222164 739483193 /nfs/dbraw/zinc/48/31/93/739483193.db2.gz FQVLASOZUOXPLV-YQQQUEKLSA-N 0 3 357.523 3.123 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888414818 739519116 /nfs/dbraw/zinc/51/91/16/739519116.db2.gz ZIOYETVPMFNHMI-UHFFFAOYSA-N 0 3 369.903 3.325 20 30 FGEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000892550250 740015340 /nfs/dbraw/zinc/01/53/40/740015340.db2.gz CZXOCKUJDDMOSS-ZDUSSCGKSA-N 0 3 354.435 3.004 20 30 FGEDHN CCO/C=C/[C@@](O)(CNCc1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000895717943 742446283 /nfs/dbraw/zinc/44/62/83/742446283.db2.gz OTIYXSRIEVGTJO-OAGJVSPASA-N 0 3 356.388 3.421 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)Nc1cccc(F)c1 ZINC000899462084 742944050 /nfs/dbraw/zinc/94/40/50/742944050.db2.gz APYYCTQHYVBRIL-UHFFFAOYSA-N 0 3 356.470 3.458 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1C[C@]12CCOC2 ZINC000902203162 743721719 /nfs/dbraw/zinc/72/17/19/743721719.db2.gz KYNPZCDYHJMONQ-LPHOPBHVSA-N 0 3 362.543 3.011 20 30 FGEDHN CC[C@@H](C#N)Oc1cccc(CNC[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905116392 743994048 /nfs/dbraw/zinc/99/40/48/743994048.db2.gz DDNLOTYKNZFZGU-JSGCOSHPSA-N 0 3 366.330 3.406 20 30 FGEDHN CC(C)Oc1cc(Cl)ccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000905425057 744021363 /nfs/dbraw/zinc/02/13/63/744021363.db2.gz MMRGQHGMCZMRRC-QGZVFWFLSA-N 0 3 366.889 3.288 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccsc2)CC1(C)C ZINC000940753913 762159963 /nfs/dbraw/zinc/15/99/63/762159963.db2.gz QJQKIKDTPIFNIQ-SQNIBIBYSA-N 0 3 362.539 3.446 20 30 FGEDHN N#Cc1cccc([C@H](NC(=O)[C@H]2CC[C@H]3CCCCN32)C(F)(F)F)c1 ZINC000913782081 757588501 /nfs/dbraw/zinc/58/85/01/757588501.db2.gz JLGVKOZBTBESRZ-OAGGEKHMSA-N 0 3 351.372 3.295 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSCCC(C)C)cc1OC ZINC000920110733 758513217 /nfs/dbraw/zinc/51/32/17/758513217.db2.gz UTQVRWPATDZRMO-AWEZNQCLSA-N 0 3 364.467 3.130 20 30 FGEDHN N#Cc1ccc(Br)c(CNCCCOCC2CCOCC2)c1 ZINC000921771594 758790299 /nfs/dbraw/zinc/79/02/99/758790299.db2.gz ZHHALTQAELFEGC-UHFFFAOYSA-N 0 3 367.287 3.244 20 30 FGEDHN Cc1nn(C)c(C)c1C[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000921784896 758794208 /nfs/dbraw/zinc/79/42/08/758794208.db2.gz IEGOPHUIEXSDGQ-LLVKDONJSA-N 0 3 361.287 3.392 20 30 FGEDHN N#Cc1ccc(Br)c(CNCCc2cnc(C3CC3)nc2)c1 ZINC000921935709 758822387 /nfs/dbraw/zinc/82/23/87/758822387.db2.gz ZQIZPAFQFUKFNM-UHFFFAOYSA-N 0 3 357.255 3.320 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H](CNCc1csc(C#N)c1)C1CCOCC1 ZINC000922298033 758887463 /nfs/dbraw/zinc/88/74/63/758887463.db2.gz FTPVJHAKPHSUPC-INIZCTEOSA-N 0 3 350.484 3.094 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCN(C)[C@H]2C)s1 ZINC000928433082 760186099 /nfs/dbraw/zinc/18/60/99/760186099.db2.gz SJIQFAABWCWSPB-RYUDHWBXSA-N 0 3 359.948 3.047 20 30 FGEDHN CC(C)(C)N1CC[C@@H](NC[C@H](O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000930355726 760586439 /nfs/dbraw/zinc/58/64/39/760586439.db2.gz VPNRFZPDUZXCPM-KBRIMQKVSA-N 0 3 353.869 3.257 20 30 FGEDHN COC(CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)OC ZINC000932943025 761281661 /nfs/dbraw/zinc/28/16/61/761281661.db2.gz JMRFFCYMMZQVBH-OCAPTIKFSA-N 0 3 371.268 3.098 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(Cc1csc(C)c1)CC2 ZINC000992242397 764592788 /nfs/dbraw/zinc/59/27/88/764592788.db2.gz RKKSLSRJYDXLFM-DOADOZAASA-N 0 3 360.523 3.261 20 30 FGEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001017632254 765839617 /nfs/dbraw/zinc/83/96/17/765839617.db2.gz ADHVPOUPZXAQNX-XUWVNRHRSA-N 0 3 360.420 3.128 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001020145835 765864775 /nfs/dbraw/zinc/86/47/75/765864775.db2.gz RBCNTXRYBSHSGR-AAVRWANBSA-N 0 3 369.328 3.305 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001022098903 765973304 /nfs/dbraw/zinc/97/33/04/765973304.db2.gz DSXCWCAGRDQCGM-COMQUAJESA-N 0 3 354.903 3.120 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001022843177 766033634 /nfs/dbraw/zinc/03/36/34/766033634.db2.gz YQEWOHNWIKMJKP-DFGXFYAUSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(Br)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)C2 ZINC001048566614 766719290 /nfs/dbraw/zinc/71/92/90/766719290.db2.gz IUSKSQNXSZBGKN-IBEHDNSVSA-N 0 3 355.320 3.300 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001054134183 766997805 /nfs/dbraw/zinc/99/78/05/766997805.db2.gz WADNMKKKJWRIGF-XIEONCRKSA-N 0 3 352.906 3.035 20 30 FGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C2 ZINC001054147758 766998919 /nfs/dbraw/zinc/99/89/19/766998919.db2.gz XJTCDKCQERRASF-JFIYKMOQSA-N 0 3 356.432 3.303 20 30 FGEDHN CN1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1cccnc1 ZINC000376245443 257456063 /nfs/dbraw/zinc/45/60/63/257456063.db2.gz RBVVRSANPPHTLF-YJBOKZPZSA-N 0 3 369.856 3.421 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@](C)(O)CC)cc1OC ZINC000111384407 495070264 /nfs/dbraw/zinc/07/02/64/495070264.db2.gz COSPAPWEKJQBGP-MRXNPFEDSA-N 0 3 358.276 3.273 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000567951723 505582229 /nfs/dbraw/zinc/58/22/29/505582229.db2.gz JAOYPPITWNWOAM-IRXDYDNUSA-N 0 3 352.459 3.428 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1C#N ZINC000573639579 505584764 /nfs/dbraw/zinc/58/47/64/505584764.db2.gz WFJSUEGIDFLMEJ-HNNXBMFYSA-N 0 3 370.522 3.299 20 30 FGEDHN C[C@H]1CN(c2cc(Br)c(C#N)cc2F)CCN(C2CC2)C1 ZINC000576767589 505589802 /nfs/dbraw/zinc/58/98/02/505589802.db2.gz NXJTWTQEIRIFCE-LLVKDONJSA-N 0 3 352.251 3.380 20 30 FGEDHN CC(C)(C)c1csc(CCNC[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000570837261 505591691 /nfs/dbraw/zinc/59/16/91/505591691.db2.gz QAXOYWULZZDWLD-INIZCTEOSA-N 0 3 373.522 3.079 20 30 FGEDHN CN1CCN(CCNc2c(C#N)cnc3c(Cl)cccc32)CC1(C)C ZINC000579704831 505605201 /nfs/dbraw/zinc/60/52/01/505605201.db2.gz NKTZNCNJQSPNJZ-UHFFFAOYSA-N 0 3 357.889 3.198 20 30 FGEDHN CC(C)(C)OC(=O)CCN(Cc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000568083961 505612068 /nfs/dbraw/zinc/61/20/68/505612068.db2.gz ZPAYIGRGOJIYQC-UHFFFAOYSA-N 0 3 362.445 3.410 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@H]2OCC)cc1OC ZINC000568171028 505633267 /nfs/dbraw/zinc/63/32/67/505633267.db2.gz MKIBPLABTFTIKP-ZIAGYGMSSA-N 0 3 356.260 3.290 20 30 FGEDHN N#CCCC1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000571041372 505639425 /nfs/dbraw/zinc/63/94/25/505639425.db2.gz OVUBJIYYSSJKJJ-FQEVSTJZSA-N 0 3 354.498 3.376 20 30 FGEDHN CC(C)C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000568320451 505666245 /nfs/dbraw/zinc/66/62/45/505666245.db2.gz YGPFTWPYLFCJQR-OAHLLOKOSA-N 0 3 363.508 3.165 20 30 FGEDHN C[C@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCN(C2CCC2)C1 ZINC000577165163 505678517 /nfs/dbraw/zinc/67/85/17/505678517.db2.gz AKHTVXNOEVIOTJ-IERDGZPVSA-N 0 3 366.509 3.451 20 30 FGEDHN N#Cc1ccc(CCC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000027932619 493768047 /nfs/dbraw/zinc/76/80/47/493768047.db2.gz YYIIJHCDVYYMQG-UHFFFAOYSA-N 0 3 361.489 3.314 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000068310419 493794023 /nfs/dbraw/zinc/79/40/23/493794023.db2.gz KCPWZKUCHQJBAL-FQEVSTJZSA-N 0 3 365.502 3.165 20 30 FGEDHN Cc1ccc(O[C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000068309912 493794099 /nfs/dbraw/zinc/79/40/99/493794099.db2.gz XJUURBITBZWQJG-SFHVURJKSA-N 0 3 365.477 3.224 20 30 FGEDHN N#Cc1c(F)cccc1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000029585871 493845890 /nfs/dbraw/zinc/84/58/90/493845890.db2.gz BJXJZYKAUZRWAL-UHFFFAOYSA-N 0 3 352.457 3.317 20 30 FGEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCCCCC1 ZINC000058561587 493865299 /nfs/dbraw/zinc/86/52/99/493865299.db2.gz LUPNQFFZTBWRLV-UHFFFAOYSA-N 0 3 369.918 3.145 20 30 FGEDHN C[C@H](NCC1(c2ccccc2)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000030507798 493893977 /nfs/dbraw/zinc/89/39/77/493893977.db2.gz UFZYBWOWZBBCLW-KRWDZBQOSA-N 0 3 363.461 3.223 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)COc1ccccc1C#N)c1ccsc1 ZINC000031987315 493969464 /nfs/dbraw/zinc/96/94/64/493969464.db2.gz NRIPHFVCOKUCHZ-KRWDZBQOSA-N 0 3 357.479 3.198 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1cccc(C#N)c1 ZINC000062485216 494014163 /nfs/dbraw/zinc/01/41/63/494014163.db2.gz NQWNTBSKCUFQHQ-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000084133471 494049665 /nfs/dbraw/zinc/04/96/65/494049665.db2.gz LVMCISOFDXNOAC-FQEVSTJZSA-N 0 3 366.461 3.279 20 30 FGEDHN CCC[N-]C(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccccc1 ZINC000063440576 494054018 /nfs/dbraw/zinc/05/40/18/494054018.db2.gz AAHPPMLHXAGRLV-UHFFFAOYSA-O 0 3 372.514 3.314 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccccc1Oc1ccccc1 ZINC000071863276 494106535 /nfs/dbraw/zinc/10/65/35/494106535.db2.gz ITNZTIYRYANRHB-OAHLLOKOSA-N 0 3 359.447 3.084 20 30 FGEDHN COC1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000054429683 494234889 /nfs/dbraw/zinc/23/48/89/494234889.db2.gz MHOCLDZYWXHQSY-CYBMUJFWSA-N 0 3 361.511 3.184 20 30 FGEDHN COc1ccc(F)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000088407003 494236500 /nfs/dbraw/zinc/23/65/00/494236500.db2.gz RHFGNAMNRNCHEZ-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN C[C@@H](OCc1ccccc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930576 494256957 /nfs/dbraw/zinc/25/69/57/494256957.db2.gz SLUBIPJCOFTPGK-GOSISDBHSA-N 0 3 365.477 3.054 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000065965166 494262175 /nfs/dbraw/zinc/26/21/75/494262175.db2.gz BEXJLCUZUQUOOY-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN CN(C)CCN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000078492412 494307155 /nfs/dbraw/zinc/30/71/55/494307155.db2.gz NHSPCHUDNPVAPS-UHFFFAOYSA-N 0 3 366.465 3.357 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000066390373 494325046 /nfs/dbraw/zinc/32/50/46/494325046.db2.gz DMKFTEHXUIUJRA-QGZVFWFLSA-N 0 3 360.473 3.053 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)Cc2cccc(OCC#N)c2)N(C)C)cc1 ZINC000089593427 494327455 /nfs/dbraw/zinc/32/74/55/494327455.db2.gz OEZJNNSAZFTTTE-NRFANRHFSA-N 0 3 365.477 3.113 20 30 FGEDHN Cc1cc(F)cc2c1ncc(C#N)c2NC1CCN([C@H]2CCOC2)CC1 ZINC000089602744 494330090 /nfs/dbraw/zinc/33/00/90/494330090.db2.gz JLSPCQZZTNYQII-KRWDZBQOSA-N 0 3 354.429 3.219 20 30 FGEDHN N#Cc1cnc2ccc(Cl)cc2c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000089603097 494330173 /nfs/dbraw/zinc/33/01/73/494330173.db2.gz DNKKTHVTZAYKST-MRXNPFEDSA-N 0 3 356.857 3.425 20 30 FGEDHN CCOc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000055388360 494335814 /nfs/dbraw/zinc/33/58/14/494335814.db2.gz ZVRYLLVZTJSKNZ-UHFFFAOYSA-N 0 3 351.450 3.161 20 30 FGEDHN CC(C)(C)c1nc(CCNC[C@@H](O)COc2ccc(CC#N)cc2)cs1 ZINC000574191294 505716073 /nfs/dbraw/zinc/71/60/73/505716073.db2.gz BMZJZAXWZAPXIM-QGZVFWFLSA-N 0 3 373.522 3.079 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3cccnc3)nc2)CC1 ZINC000089885726 494391894 /nfs/dbraw/zinc/39/18/94/494391894.db2.gz ISMUYBFCTZUILR-UHFFFAOYSA-N 0 3 367.453 3.431 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(OCC(F)F)n1 ZINC000089964388 494416808 /nfs/dbraw/zinc/41/68/08/494416808.db2.gz RIIXIQUZPGOOAN-LLVKDONJSA-N 0 3 356.332 3.102 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000079304146 494433510 /nfs/dbraw/zinc/43/35/10/494433510.db2.gz DPJGHKWBXZKOKH-CVEARBPZSA-N 0 3 372.513 3.434 20 30 FGEDHN COCCN(C)CCCNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066954479 494445395 /nfs/dbraw/zinc/44/53/95/494445395.db2.gz UBVFTZZTGQQNAQ-OAHLLOKOSA-N 0 3 364.515 3.171 20 30 FGEDHN C[C@H](NC(=O)NCc1cccc(OCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000045814411 494465581 /nfs/dbraw/zinc/46/55/81/494465581.db2.gz PMOXEUGKIOVCNJ-INIZCTEOSA-N 0 3 366.465 3.059 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000074132452 494486099 /nfs/dbraw/zinc/48/60/99/494486099.db2.gz TYMJINYOYWZDNO-UUKMXZOPSA-N 0 3 363.546 3.406 20 30 FGEDHN CCOc1c(F)cccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000074244755 494504157 /nfs/dbraw/zinc/50/41/57/494504157.db2.gz GMJUYCSJNIZDPT-UHFFFAOYSA-N 0 3 369.440 3.300 20 30 FGEDHN N#Cc1nc(NCc2ccc(CN3CCC(O)CC3)cc2)ccc1Cl ZINC000067372159 494524923 /nfs/dbraw/zinc/52/49/23/494524923.db2.gz PBAFQRZPQSDIPT-UHFFFAOYSA-N 0 3 356.857 3.175 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)CNc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000079945035 494553354 /nfs/dbraw/zinc/55/33/54/494553354.db2.gz ZFOHFZQPWRFBEJ-DYESRHJHSA-N 0 3 362.477 3.139 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000046893172 494580170 /nfs/dbraw/zinc/58/01/70/494580170.db2.gz KKQNINAVFDSRSK-UHFFFAOYSA-N 0 3 362.477 3.148 20 30 FGEDHN C[C@H]1CN(CC2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@H](C)O1 ZINC000091478508 494606624 /nfs/dbraw/zinc/60/66/24/494606624.db2.gz KXEPCJIQQHGCRD-IRXDYDNUSA-N 0 3 364.493 3.432 20 30 FGEDHN Cc1ccc(O[C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010552 494615355 /nfs/dbraw/zinc/61/53/55/494615355.db2.gz WNBVFMHRHPRTLC-SFHVURJKSA-N 0 3 365.477 3.224 20 30 FGEDHN Cc1cc(C)cc(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010882 494616897 /nfs/dbraw/zinc/61/68/97/494616897.db2.gz UGCIDXHNMZLPLV-UHFFFAOYSA-N 0 3 365.477 3.144 20 30 FGEDHN COc1cccc(OC)c1OC1CCN(CCCSCC#N)CC1 ZINC000074981855 494668174 /nfs/dbraw/zinc/66/81/74/494668174.db2.gz LWWYOWCSPULSJM-UHFFFAOYSA-N 0 3 350.484 3.194 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000067963404 494710502 /nfs/dbraw/zinc/71/05/02/494710502.db2.gz JRZCBRZBAYRCGB-QGZVFWFLSA-N 0 3 364.367 3.449 20 30 FGEDHN CCOc1ccc(NC(=O)CNCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000067978947 494717785 /nfs/dbraw/zinc/71/77/85/494717785.db2.gz WJHSMZBBZYJNOA-UHFFFAOYSA-N 0 3 366.465 3.163 20 30 FGEDHN C=CCOc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1OC ZINC000025382449 494730971 /nfs/dbraw/zinc/73/09/71/494730971.db2.gz DTCUJTMWVUWMHJ-LJQANCHMSA-N 0 3 368.477 3.163 20 30 FGEDHN COc1cc(C#N)ccc1CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000121439333 494756773 /nfs/dbraw/zinc/75/67/73/494756773.db2.gz MIGBPMZKVRLPEM-UHFFFAOYSA-N 0 3 365.481 3.075 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3ccc(C#N)cc3F)CC2)nc1 ZINC000092853972 494774606 /nfs/dbraw/zinc/77/46/06/494774606.db2.gz MSZJGQQCRZPZHE-UHFFFAOYSA-N 0 3 350.397 3.444 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccccc1OCC#N ZINC000131926802 494775247 /nfs/dbraw/zinc/77/52/47/494775247.db2.gz ZALAQOOKVXZTSN-SFHVURJKSA-N 0 3 363.461 3.326 20 30 FGEDHN N#Cc1cc(NC(=O)Nc2cnn(CCN3CCCCC3)c2)ccc1F ZINC000093241458 494850035 /nfs/dbraw/zinc/85/00/35/494850035.db2.gz HFMTWBYUBWPFDP-UHFFFAOYSA-N 0 3 356.405 3.024 20 30 FGEDHN C[C@](C#N)(NC(=O)CN(CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000116892553 494867796 /nfs/dbraw/zinc/86/77/96/494867796.db2.gz KQTYJXJMSMWZGI-HXUWFJFHSA-N 0 3 359.901 3.403 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000574326334 505748157 /nfs/dbraw/zinc/74/81/57/505748157.db2.gz AFQPLMYDFAXVMN-OAHLLOKOSA-N 0 3 362.886 3.143 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000574330357 505748789 /nfs/dbraw/zinc/74/87/89/505748789.db2.gz SINAGDUVBNESNU-JOCHJYFZSA-N 0 3 361.489 3.254 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@@H](CC(N)=O)C2)c1 ZINC000093809228 494923451 /nfs/dbraw/zinc/92/34/51/494923451.db2.gz MTPPAKHNMMPTDP-SFHVURJKSA-N 0 3 363.461 3.225 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000122201101 494939314 /nfs/dbraw/zinc/93/93/14/494939314.db2.gz NNEMTSVIUBFCFH-KRWDZBQOSA-N 0 3 355.401 3.308 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@](C)(CO)C2CCCCC2)c1C ZINC000132990794 494953731 /nfs/dbraw/zinc/95/37/31/494953731.db2.gz ODSYKXIYOYRIJE-JOCHJYFZSA-N 0 3 371.525 3.471 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000122531718 494989135 /nfs/dbraw/zinc/98/91/35/494989135.db2.gz QCYCJKSMJHTGCW-UHFFFAOYSA-N 0 3 357.523 3.348 20 30 FGEDHN CCN(CCC#N)C(=O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000111252998 495055318 /nfs/dbraw/zinc/05/53/18/495055318.db2.gz JIKUPTYKPCHPJF-UHFFFAOYSA-N 0 3 366.303 3.122 20 30 FGEDHN C=CCC[C@H](O)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000123129082 495084643 /nfs/dbraw/zinc/08/46/43/495084643.db2.gz YFEQLOZNQSXJPL-HNNXBMFYSA-N 0 3 352.862 3.023 20 30 FGEDHN CC(C)c1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000128530500 495112230 /nfs/dbraw/zinc/11/22/30/495112230.db2.gz FXNZXLXMRXCEMG-UHFFFAOYSA-N 0 3 356.495 3.342 20 30 FGEDHN C[C@@H](CCS(C)(=O)=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000134579955 495170753 /nfs/dbraw/zinc/17/07/53/495170753.db2.gz TUFAPVBOGVLZOM-INIZCTEOSA-N 0 3 372.490 3.050 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000129133883 495201675 /nfs/dbraw/zinc/20/16/75/495201675.db2.gz BFEXOBZHVOMZQL-WBVHZDCISA-N 0 3 357.845 3.120 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000123980540 495216500 /nfs/dbraw/zinc/21/65/00/495216500.db2.gz SGCRQVYEPLSZAI-HNNXBMFYSA-N 0 3 351.450 3.461 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1C#N ZINC000134979043 495233884 /nfs/dbraw/zinc/23/38/84/495233884.db2.gz WHQUUBPNAZMKQK-KRWDZBQOSA-N 0 3 365.481 3.264 20 30 FGEDHN CC(C)Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cnc21 ZINC000119754856 495234030 /nfs/dbraw/zinc/23/40/30/495234030.db2.gz HDKYGQFKPYRGCL-HNNXBMFYSA-N 0 3 358.405 3.454 20 30 FGEDHN CC(C)Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C)cnc21 ZINC000119753982 495234232 /nfs/dbraw/zinc/23/42/32/495234232.db2.gz WWEVMEPOKHZTAJ-INIZCTEOSA-N 0 3 372.432 3.464 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000119780593 495239577 /nfs/dbraw/zinc/23/95/77/495239577.db2.gz FPCPRWLJNLOAHS-CRAIPNDOSA-N 0 3 373.497 3.266 20 30 FGEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000135104124 495251310 /nfs/dbraw/zinc/25/13/10/495251310.db2.gz UQZZDVYAJFNQBL-HNNXBMFYSA-N 0 3 371.506 3.328 20 30 FGEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2cccs2)s1 ZINC000129735592 495287926 /nfs/dbraw/zinc/28/79/26/495287926.db2.gz CNNDWPSCZLLNGH-UHFFFAOYSA-N 0 3 350.513 3.007 20 30 FGEDHN CCOc1ccnc(N2CCCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000135789875 495333782 /nfs/dbraw/zinc/33/37/82/495333782.db2.gz GCTQAJIUCGIADG-INIZCTEOSA-N 0 3 351.454 3.020 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000568792701 505778455 /nfs/dbraw/zinc/77/84/55/505778455.db2.gz VOAUSRQHMSIMNE-SFHVURJKSA-N 0 3 364.449 3.350 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000106036570 495405707 /nfs/dbraw/zinc/40/57/07/495405707.db2.gz WBQZZDRKGJIIBN-HNAYVOBHSA-N 0 3 355.482 3.051 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCCN(C)c2ccccc2)CC1 ZINC000106265624 495440851 /nfs/dbraw/zinc/44/08/51/495440851.db2.gz BKOVYSQXGMHWKV-UHFFFAOYSA-N 0 3 358.530 3.243 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000106275573 495441437 /nfs/dbraw/zinc/44/14/37/495441437.db2.gz VRCKLQJIGXSKAY-NRFANRHFSA-N 0 3 371.525 3.182 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CN(CC)C(C)=O)CC1 ZINC000106320102 495443978 /nfs/dbraw/zinc/44/39/78/495443978.db2.gz FXXYLNXVNVAROW-UHFFFAOYSA-N 0 3 372.513 3.217 20 30 FGEDHN C=CCn1cccc1-c1nc(-c2ccc(OCCN(C)C)c(OC)c2)no1 ZINC000574483805 505783172 /nfs/dbraw/zinc/78/31/72/505783172.db2.gz HHCCFCUGPLIELL-UHFFFAOYSA-N 0 3 368.437 3.340 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC(c2nc3ccccc3s2)CC1 ZINC000131077636 495489166 /nfs/dbraw/zinc/48/91/66/495489166.db2.gz CUCRJKRTVFSDRH-UHFFFAOYSA-N 0 3 356.495 3.238 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106790336 495496245 /nfs/dbraw/zinc/49/62/45/495496245.db2.gz NLYPSLDJYZQEMM-XLIONFOSSA-N 0 3 355.482 3.095 20 30 FGEDHN Cc1noc(C)c1[C@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000131280862 495516810 /nfs/dbraw/zinc/51/68/10/495516810.db2.gz VIFQDHDHNRJTCV-OAHLLOKOSA-N 0 3 368.481 3.247 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C2CCC(C)CC2)CC1 ZINC000115567152 495518605 /nfs/dbraw/zinc/51/86/05/495518605.db2.gz AXMHNDAYJXFGRD-OHTSDLOESA-N 0 3 354.498 3.082 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1C#N ZINC000580565279 505787202 /nfs/dbraw/zinc/78/72/02/505787202.db2.gz LFSRBCRVZAOKFA-BBRMVZONSA-N 0 3 355.467 3.108 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N2CCCC[C@H](N3CCCC3)C2)cc1 ZINC000107525262 495528467 /nfs/dbraw/zinc/52/84/67/495528467.db2.gz RUJZZBCDWHNQEN-IBGZPJMESA-N 0 3 357.523 3.268 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000158623245 495553784 /nfs/dbraw/zinc/55/37/84/495553784.db2.gz IYMXWZGNYGGGAT-UHFFFAOYSA-N 0 3 372.513 3.230 20 30 FGEDHN Cc1cc(C(=O)NC2CCN(CCOc3cccc(C#N)c3)CC2)c(C)o1 ZINC000170775512 495599393 /nfs/dbraw/zinc/59/93/93/495599393.db2.gz MFTLIBQNOSUMMY-UHFFFAOYSA-N 0 3 367.449 3.041 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000176394250 495635575 /nfs/dbraw/zinc/63/55/75/495635575.db2.gz MXJWHSZJSKBLLG-IAGOWNOFSA-N 0 3 370.497 3.301 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2nc3ccccc3n2C2CC2)CC1 ZINC000185630382 495653401 /nfs/dbraw/zinc/65/34/01/495653401.db2.gz CUIHOODCXBBDCI-UHFFFAOYSA-N 0 3 367.497 3.211 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C#N)cc1F ZINC000170936472 495658732 /nfs/dbraw/zinc/65/87/32/495658732.db2.gz JXKZCDATMIMDDK-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccncc1Br)C(C)C ZINC000154646869 495683116 /nfs/dbraw/zinc/68/31/16/495683116.db2.gz VZRCJPJGLHCOFS-INIZCTEOSA-N 0 3 366.303 3.273 20 30 FGEDHN CCCCNC(=O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000154709124 495703198 /nfs/dbraw/zinc/70/31/98/495703198.db2.gz NDWURBMCHXEYMW-UHFFFAOYSA-N 0 3 357.498 3.497 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)C1CCOCC1 ZINC000179845681 495757133 /nfs/dbraw/zinc/75/71/33/495757133.db2.gz GISFXCUJASBHPE-CABCVRRESA-N 0 3 361.511 3.424 20 30 FGEDHN C=CCC[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccccc1 ZINC000185879836 495762078 /nfs/dbraw/zinc/76/20/78/495762078.db2.gz YTYHZPGTHGUINK-AZUAARDMSA-N 0 3 358.530 3.019 20 30 FGEDHN C[C@H](CO[C@@H]1CCOC1)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000151184280 495764772 /nfs/dbraw/zinc/76/47/72/495764772.db2.gz WFHYGUTUFSULSQ-VGOFRKELSA-N 0 3 366.461 3.421 20 30 FGEDHN C=CCOc1ccccc1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171225892 495778183 /nfs/dbraw/zinc/77/81/83/495778183.db2.gz ISXKAOUWQLUVSH-QZTJIDSGSA-N 0 3 372.509 3.213 20 30 FGEDHN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000179913543 495780786 /nfs/dbraw/zinc/78/07/86/495780786.db2.gz DMQNNBQAKDLMON-DZGCQCFKSA-N 0 3 353.426 3.067 20 30 FGEDHN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000173995669 495781704 /nfs/dbraw/zinc/78/17/04/495781704.db2.gz MUWAOFHTUQVTAP-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN CC(C)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000179926375 495786376 /nfs/dbraw/zinc/78/63/76/495786376.db2.gz VHSGTMCTFYOKOG-HXUWFJFHSA-N 0 3 371.525 3.479 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3cncnc3)cc2F)CC1 ZINC000185949023 495793517 /nfs/dbraw/zinc/79/35/17/495793517.db2.gz ZFLMVQPOCQSLKO-UHFFFAOYSA-N 0 3 354.429 3.053 20 30 FGEDHN CC[C@@H]1Oc2cc([C@@H](C)NCCOc3ccccc3C#N)ccc2NC1=O ZINC000180031991 495830160 /nfs/dbraw/zinc/83/01/60/495830160.db2.gz DRVYMJFZCAJONU-KDOFPFPSSA-N 0 3 365.433 3.397 20 30 FGEDHN CC[C@@H]1Oc2cc([C@H](C)NCCOc3ccccc3C#N)ccc2NC1=O ZINC000180032021 495831648 /nfs/dbraw/zinc/83/16/48/495831648.db2.gz DRVYMJFZCAJONU-KSSFIOAISA-N 0 3 365.433 3.397 20 30 FGEDHN COc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180043495 495835706 /nfs/dbraw/zinc/83/57/06/495835706.db2.gz MWBFDMWAAXLNQH-UHFFFAOYSA-N 0 3 350.397 3.396 20 30 FGEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000176949646 495853267 /nfs/dbraw/zinc/85/32/67/495853267.db2.gz MLWSIIHOCWKDIF-ZDUSSCGKSA-N 0 3 355.463 3.128 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000176964399 495860950 /nfs/dbraw/zinc/86/09/50/495860950.db2.gz MQVWOEUCYHQLMT-SFHVURJKSA-N 0 3 361.898 3.436 20 30 FGEDHN COc1cc(O)c(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1OC ZINC000160153296 495897117 /nfs/dbraw/zinc/89/71/17/495897117.db2.gz JGDPNOMFWKAZHN-UHFFFAOYSA-N 0 3 368.433 3.324 20 30 FGEDHN C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N1CCCCCC1 ZINC000174432434 495957723 /nfs/dbraw/zinc/95/77/23/495957723.db2.gz CSZNCJCQLKVLIH-BBRMVZONSA-N 0 3 364.287 3.394 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000171720777 496005645 /nfs/dbraw/zinc/00/56/45/496005645.db2.gz BJFZGDXYPIVVIO-UHFFFAOYSA-N 0 3 369.490 3.381 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000171723210 496008958 /nfs/dbraw/zinc/00/89/58/496008958.db2.gz KKOMQALFNYLCOT-UHFFFAOYSA-N 0 3 372.900 3.273 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(Br)s2)CC1 ZINC000171737400 496013880 /nfs/dbraw/zinc/01/38/80/496013880.db2.gz YJLWRDADGVLMAO-UHFFFAOYSA-N 0 3 372.332 3.302 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000171740109 496015732 /nfs/dbraw/zinc/01/57/32/496015732.db2.gz UZPPLHHMLCMNNH-UHFFFAOYSA-N 0 3 353.850 3.129 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000171740949 496016323 /nfs/dbraw/zinc/01/63/23/496016323.db2.gz KCMNSFGLVDDTGU-UHFFFAOYSA-N 0 3 353.470 3.261 20 30 FGEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1ccccn1 ZINC000155704465 496041501 /nfs/dbraw/zinc/04/15/01/496041501.db2.gz UDKIPRZDHDWTLN-HNNXBMFYSA-N 0 3 374.400 3.361 20 30 FGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000183601503 496044556 /nfs/dbraw/zinc/04/45/56/496044556.db2.gz RZZNUQMCIPTRQL-INIZCTEOSA-N 0 3 359.433 3.423 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cn2C)CCN1Cc1ccccc1 ZINC000177423026 496056373 /nfs/dbraw/zinc/05/63/73/496056373.db2.gz TTZFLEFANZUTFN-LPHOPBHVSA-N 0 3 350.466 3.022 20 30 FGEDHN COc1ccc(C[C@@H](C)CN2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000186608792 496071771 /nfs/dbraw/zinc/07/17/71/496071771.db2.gz CNHVJTPHJVZBHQ-MRXNPFEDSA-N 0 3 368.456 3.102 20 30 FGEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000180624594 496073836 /nfs/dbraw/zinc/07/38/36/496073836.db2.gz XSBGHDVGBJABDO-WBVHZDCISA-N 0 3 371.481 3.230 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(OCC(F)F)nc1 ZINC000155860053 496090538 /nfs/dbraw/zinc/09/05/38/496090538.db2.gz ZFBJDRAVIKDYLJ-LBPRGKRZSA-N 0 3 356.332 3.102 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(OCC(F)F)nc1 ZINC000155860053 496090541 /nfs/dbraw/zinc/09/05/41/496090541.db2.gz ZFBJDRAVIKDYLJ-LBPRGKRZSA-N 0 3 356.332 3.102 20 30 FGEDHN C=CCN1CCC(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183737871 496099315 /nfs/dbraw/zinc/09/93/15/496099315.db2.gz PULSISLGOJRLAF-UHFFFAOYSA-N 0 3 366.296 3.314 20 30 FGEDHN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(C#N)c1 ZINC000186703702 496113891 /nfs/dbraw/zinc/11/38/91/496113891.db2.gz KZBUWYDAGJRUGD-AWEZNQCLSA-N 0 3 373.453 3.088 20 30 FGEDHN COc1ccc([C@@H](CCC(C)C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180866991 496178036 /nfs/dbraw/zinc/17/80/36/496178036.db2.gz YFPHSQZRMWWIRP-HMDOMZECSA-N 0 3 371.481 3.289 20 30 FGEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000180950676 496214667 /nfs/dbraw/zinc/21/46/67/496214667.db2.gz ZVWIKSXLWZDLEN-GOSISDBHSA-N 0 3 367.474 3.040 20 30 FGEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000156375732 496228156 /nfs/dbraw/zinc/22/81/56/496228156.db2.gz MPCXVWYIZBKUPD-SFHVURJKSA-N 0 3 357.498 3.201 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](CCO)C(C)C)c1C#N ZINC000161906699 496261004 /nfs/dbraw/zinc/26/10/04/496261004.db2.gz WRBTUASWUNKAPK-SFHVURJKSA-N 0 3 360.502 3.027 20 30 FGEDHN Cc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)nc(-c2ccncc2)n1 ZINC000161929735 496264509 /nfs/dbraw/zinc/26/45/09/496264509.db2.gz MVQROOOXTVJZEM-UHFFFAOYSA-N 0 3 372.476 3.287 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CCCn2ccnc2)c1 ZINC000181101181 496270378 /nfs/dbraw/zinc/27/03/78/496270378.db2.gz BYKRMQZTZYBJNF-LJQANCHMSA-N 0 3 367.497 3.157 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000187115862 496300240 /nfs/dbraw/zinc/30/02/40/496300240.db2.gz AEPVOIMVWGGDSC-WIYYLYMNSA-N 0 3 372.509 3.320 20 30 FGEDHN COc1cc(OC)cc([C@@H]2CCN(C[C@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000156672481 496307746 /nfs/dbraw/zinc/30/77/46/496307746.db2.gz ZTUQVTOIJHHMTR-UTKZUKDTSA-N 0 3 352.434 3.098 20 30 FGEDHN CC(C)OC(=O)C[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000184444308 496386108 /nfs/dbraw/zinc/38/61/08/496386108.db2.gz YXAWOXNGVDGDJZ-CQSZACIVSA-N 0 3 363.483 3.002 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCN(C4CCCCC4)CC3)o2)cc1 ZINC000162936739 496436345 /nfs/dbraw/zinc/43/63/45/496436345.db2.gz XGMGIRQCSKLEEY-UHFFFAOYSA-N 0 3 351.454 3.059 20 30 FGEDHN CCCc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000172804315 496439423 /nfs/dbraw/zinc/43/94/23/496439423.db2.gz PAAWAPCCMHWZKA-UHFFFAOYSA-N 0 3 356.495 3.171 20 30 FGEDHN CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCCN(C)C1 ZINC000153425968 496451729 /nfs/dbraw/zinc/45/17/29/496451729.db2.gz QQKCEKRRYBGMJT-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN Cc1nc(CCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000175589246 496454198 /nfs/dbraw/zinc/45/41/98/496454198.db2.gz FQWZQOQMPGCRCB-UHFFFAOYSA-N 0 3 370.522 3.236 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000172843756 496458377 /nfs/dbraw/zinc/45/83/77/496458377.db2.gz DFQQJBQWZITDNQ-HZPDHXFCSA-N 0 3 368.399 3.455 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCCN(c2ccccc2)CC1 ZINC000157614156 496516044 /nfs/dbraw/zinc/51/60/44/496516044.db2.gz AUZNVULPEBDWSA-UHFFFAOYSA-N 0 3 351.450 3.158 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CNCc1cccnc1-n1cccn1 ZINC000187655906 496522732 /nfs/dbraw/zinc/52/27/32/496522732.db2.gz RNCQJWXATFQQQR-UHFFFAOYSA-N 0 3 368.444 3.279 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1C#N ZINC000157660561 496525372 /nfs/dbraw/zinc/52/53/72/496525372.db2.gz KCLDORPGKULBOA-UHFFFAOYSA-N 0 3 365.437 3.095 20 30 FGEDHN C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc(OCC#N)cc1 ZINC000181777687 496540765 /nfs/dbraw/zinc/54/07/65/496540765.db2.gz RHOHTQVWXVYEIG-LBPRGKRZSA-N 0 3 365.359 3.160 20 30 FGEDHN COCCCN(C)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000173114955 496556632 /nfs/dbraw/zinc/55/66/32/496556632.db2.gz UISIAWMHGOJSNZ-HNNXBMFYSA-N 0 3 364.515 3.028 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)CC1 ZINC000187800328 496577092 /nfs/dbraw/zinc/57/70/92/496577092.db2.gz KTVLGUHAWBNGQW-CYBMUJFWSA-N 0 3 356.388 3.239 20 30 FGEDHN CC(C)c1nc2n(n1)C[C@@H](NCc1cccn1Cc1ccccc1C#N)CC2 ZINC000187836750 496589583 /nfs/dbraw/zinc/58/95/83/496589583.db2.gz VUVWXPFDOHCTOS-IBGZPJMESA-N 0 3 374.492 3.228 20 30 FGEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(F)cc1F ZINC000176099222 496681988 /nfs/dbraw/zinc/68/19/88/496681988.db2.gz SQSKHZKDRJLAJO-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)[C@@H](C)CO)cc1OCC ZINC000569155642 505864046 /nfs/dbraw/zinc/86/40/46/505864046.db2.gz JFSVWQSVCFJIMV-LBPRGKRZSA-N 0 3 358.276 3.225 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194937410 496767044 /nfs/dbraw/zinc/76/70/44/496767044.db2.gz SYPGJUMTFKXOHC-INIZCTEOSA-N 0 3 372.469 3.089 20 30 FGEDHN CCCn1ccnc1CCCN(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191515056 496793197 /nfs/dbraw/zinc/79/31/97/496793197.db2.gz AGWCTTQFWHNKTK-UHFFFAOYSA-N 0 3 364.453 3.279 20 30 FGEDHN CN(C)Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000264051550 496799982 /nfs/dbraw/zinc/79/99/82/496799982.db2.gz WWFWWOITSZIMLG-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CC[C@@H](CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000273475878 496816604 /nfs/dbraw/zinc/81/66/04/496816604.db2.gz KGAFMJJCWBCMFS-KRWDZBQOSA-N 0 3 372.421 3.209 20 30 FGEDHN CC(C)(C#N)CCCCN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000277666242 496847103 /nfs/dbraw/zinc/84/71/03/496847103.db2.gz JLULLADSCZFDOV-UHFFFAOYSA-N 0 3 354.498 3.446 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCOCC3)c3ccccc32)CC1 ZINC000188682113 496874593 /nfs/dbraw/zinc/87/45/93/496874593.db2.gz JVQTXPMTGPQJOY-UHFFFAOYSA-N 0 3 369.509 3.305 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3ccc(CC)cc3)C2)CC1 ZINC000188681197 496875008 /nfs/dbraw/zinc/87/50/08/496875008.db2.gz PCPGYZPPRWZVRM-NRFANRHFSA-N 0 3 371.525 3.372 20 30 FGEDHN CC(C)N(Cc1ccc(OCC#N)cc1)C[C@H](O)COc1ccccc1 ZINC000277793671 496889675 /nfs/dbraw/zinc/88/96/75/496889675.db2.gz NLFVQNGMPAUVID-IBGZPJMESA-N 0 3 354.450 3.239 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000264411912 496895629 /nfs/dbraw/zinc/89/56/29/496895629.db2.gz RFIUVWSQTKNECJ-UHFFFAOYSA-N 0 3 356.470 3.197 20 30 FGEDHN N#CC(C(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1ccccn1 ZINC000574883687 505875731 /nfs/dbraw/zinc/87/57/31/505875731.db2.gz QQERPAVYEHYFOA-CQSZACIVSA-N 0 3 357.797 3.178 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000264844383 496995684 /nfs/dbraw/zinc/99/56/84/496995684.db2.gz KKNXXFIGTDGCAP-UHFFFAOYSA-N 0 3 368.275 3.230 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000248440094 497012453 /nfs/dbraw/zinc/01/24/53/497012453.db2.gz JGGRGIJSOGJPCP-XLIONFOSSA-N 0 3 359.514 3.187 20 30 FGEDHN CN(CCNCc1cn(CCC#N)nc1-c1ccccc1)CC(F)(F)F ZINC000264938871 497013864 /nfs/dbraw/zinc/01/38/64/497013864.db2.gz FEBMSGHWGVVZOJ-UHFFFAOYSA-N 0 3 365.403 3.047 20 30 FGEDHN COc1cccc(CNCc2ccc(OC)c(OCCCC#N)c2)c1O ZINC000265011436 497031544 /nfs/dbraw/zinc/03/15/44/497031544.db2.gz ANJLAKQNBXWEIJ-UHFFFAOYSA-N 0 3 356.422 3.382 20 30 FGEDHN N#Cc1ccc(OCCNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189249570 497058551 /nfs/dbraw/zinc/05/85/51/497058551.db2.gz XDDNXIIVQALCLL-UHFFFAOYSA-N 0 3 350.397 3.111 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](O)C2(C)C)cc1OC ZINC000189346156 497088683 /nfs/dbraw/zinc/08/86/83/497088683.db2.gz CSJXKLUXOZQOLP-LSDHHAIUSA-N 0 3 370.287 3.272 20 30 FGEDHN COc1cccc(/C=N/C[C@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000192398469 497102537 /nfs/dbraw/zinc/10/25/37/497102537.db2.gz BWIKNJIMAFAXKA-MEGCXXLRSA-N 0 3 354.450 3.111 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CC1 ZINC000265630386 497151703 /nfs/dbraw/zinc/15/17/03/497151703.db2.gz SMCPSWKKXTWOST-MRXNPFEDSA-N 0 3 352.482 3.140 20 30 FGEDHN N#CCCn1cc(CNCCOc2ccccc2F)c(-c2ccncc2)n1 ZINC000278585357 497157797 /nfs/dbraw/zinc/15/77/97/497157797.db2.gz GHIMMTODELWKQY-UHFFFAOYSA-N 0 3 365.412 3.166 20 30 FGEDHN CC(C)N1CCN(C2CCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000274849587 497180873 /nfs/dbraw/zinc/18/08/73/497180873.db2.gz QSLCUHKBLUDQIS-UHFFFAOYSA-N 0 3 360.933 3.202 20 30 FGEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265884997 497201203 /nfs/dbraw/zinc/20/12/03/497201203.db2.gz ZXWSVODEFKEOPC-CRAIPNDOSA-N 0 3 359.470 3.324 20 30 FGEDHN CN(CCCN(C)C(=O)C[C@H](CC#N)c1ccccc1)Cc1ccncc1 ZINC000581016064 505891126 /nfs/dbraw/zinc/89/11/26/505891126.db2.gz UPJQRDHDGSBQDG-NRFANRHFSA-N 0 3 364.493 3.449 20 30 FGEDHN CCOC(=O)C[C@](C)(N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000192792969 497216314 /nfs/dbraw/zinc/21/63/14/497216314.db2.gz PZOZULHMCZGLLK-RXVVDRJESA-N 0 3 371.481 3.011 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)CCC(=O)N(C)c1ccccc1 ZINC000581035619 505895180 /nfs/dbraw/zinc/89/51/80/505895180.db2.gz YVHVUFRLMYBHNE-UHFFFAOYSA-N 0 3 351.450 3.060 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)nn(CC)c1Cl)C(C)C ZINC000266175904 497273407 /nfs/dbraw/zinc/27/34/07/497273407.db2.gz XGQRLKJLPZNMKP-OAHLLOKOSA-N 0 3 352.910 3.293 20 30 FGEDHN C=CC[C@H](C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000275342767 497295816 /nfs/dbraw/zinc/29/58/16/497295816.db2.gz PBQJYOVSKYYNKB-QFIPXVFZSA-N 0 3 369.553 3.363 20 30 FGEDHN C=CCN1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC000266340546 497309538 /nfs/dbraw/zinc/30/95/38/497309538.db2.gz IARZGYARZLGARJ-UHFFFAOYSA-N 0 3 362.477 3.347 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ncccc1Br)C(C)C ZINC000193250998 497334503 /nfs/dbraw/zinc/33/45/03/497334503.db2.gz VGUVAAUSAXXPEJ-HNNXBMFYSA-N 0 3 366.303 3.273 20 30 FGEDHN Cc1cc(C(F)(F)F)ccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000575053257 505911146 /nfs/dbraw/zinc/91/11/46/505911146.db2.gz DPEVOTZNLRQGSF-QGZVFWFLSA-N 0 3 364.367 3.415 20 30 FGEDHN Cc1cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)nn1CCC#N ZINC000272035651 497519657 /nfs/dbraw/zinc/51/96/57/497519657.db2.gz FAKAHMXMWONLEA-GOSISDBHSA-N 0 3 366.469 3.064 20 30 FGEDHN Cc1ccc(CNC(=N)Nc2cc(F)ccc2F)c(O[C@@H]2CCOC2)c1 ZINC000262307470 497537515 /nfs/dbraw/zinc/53/75/15/497537515.db2.gz RRXQSYGTGCDWLO-OAHLLOKOSA-N 0 3 361.392 3.368 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000578320893 505913790 /nfs/dbraw/zinc/91/37/90/505913790.db2.gz JKUKBPAGUARCKN-HNNXBMFYSA-N 0 3 358.829 3.274 20 30 FGEDHN N#C[C@@]1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CC12CCCC2 ZINC000572211619 505915555 /nfs/dbraw/zinc/91/55/55/505915555.db2.gz MVAGGLPMTRATEB-JOCHJYFZSA-N 0 3 367.493 3.303 20 30 FGEDHN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279945467 497598125 /nfs/dbraw/zinc/59/81/25/497598125.db2.gz GKUQNUMSPUQSMO-ZTQAJYAQSA-N 0 3 365.408 3.272 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CCCOC(C)=O)c2)CC1 ZINC000190887695 497633450 /nfs/dbraw/zinc/63/34/50/497633450.db2.gz QOSICADSOLSEQN-UHFFFAOYSA-N 0 3 373.497 3.344 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000280133183 497659615 /nfs/dbraw/zinc/65/96/15/497659615.db2.gz CLRJSTZHVNACSN-UHFFFAOYSA-N 0 3 365.477 3.358 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000280161152 497667756 /nfs/dbraw/zinc/66/77/56/497667756.db2.gz CAONVXDHQJMTDG-FGZHOGPDSA-N 0 3 373.456 3.101 20 30 FGEDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1sccc1C#N)c1ccccc1O2 ZINC000194603684 497716524 /nfs/dbraw/zinc/71/65/24/497716524.db2.gz FRRPKECQGKXHHU-MRXNPFEDSA-N 0 3 367.474 3.338 20 30 FGEDHN COc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000194712059 497746690 /nfs/dbraw/zinc/74/66/90/497746690.db2.gz GJHXEEIFBRCKPO-OAQYLSRUSA-N 0 3 363.461 3.063 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cccc(N4CCC4=O)c3)CC2)cc1 ZINC000280454698 497758747 /nfs/dbraw/zinc/75/87/47/497758747.db2.gz LQGHQTRAFSFTCF-UHFFFAOYSA-N 0 3 360.461 3.371 20 30 FGEDHN Cn1cc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C#N ZINC000191299505 497773242 /nfs/dbraw/zinc/77/32/42/497773242.db2.gz CTAJHQACWOYRCA-MRXNPFEDSA-N 0 3 365.412 3.465 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(C2CC2)cs1 ZINC000194791322 497773433 /nfs/dbraw/zinc/77/34/33/497773433.db2.gz CMNKRLFXIVSQNA-UHFFFAOYSA-N 0 3 369.494 3.488 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000280575392 497792432 /nfs/dbraw/zinc/79/24/32/497792432.db2.gz VTHDEMIANUNXMW-WOJBJXKFSA-N 0 3 361.420 3.471 20 30 FGEDHN COc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000277303927 497798486 /nfs/dbraw/zinc/79/84/86/497798486.db2.gz SCEODFULHURRCU-JXFKEZNVSA-N 0 3 363.461 3.327 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000329538518 497823679 /nfs/dbraw/zinc/82/36/79/497823679.db2.gz VNMYMSZZWWNKKE-LGKHCZOZSA-N 0 3 363.546 3.179 20 30 FGEDHN CC[C@H](C)NC(=O)c1cccc(CNC(=N)Nc2cc(F)ccc2F)c1 ZINC000288651861 497858903 /nfs/dbraw/zinc/85/89/03/497858903.db2.gz FHSDISYWUYURIJ-LBPRGKRZSA-N 0 3 360.408 3.420 20 30 FGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000329715036 497877191 /nfs/dbraw/zinc/87/71/91/497877191.db2.gz UIGVGBBHIJKYMZ-LZLYRXPVSA-N 0 3 364.534 3.384 20 30 FGEDHN C[C@@H]1CN(Cc2cccc(CNC(=N)Nc3cc(F)ccc3F)c2)CCO1 ZINC000288783380 497898020 /nfs/dbraw/zinc/89/80/20/497898020.db2.gz WOVKRABTJVZQNL-CQSZACIVSA-N 0 3 374.435 3.112 20 30 FGEDHN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC[C@H]1Cc2ccccc2O1 ZINC000329789394 497901156 /nfs/dbraw/zinc/90/11/56/497901156.db2.gz BXCVKYMUKLDRBG-WCIQWLHISA-N 0 3 372.509 3.352 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000572350144 505947520 /nfs/dbraw/zinc/94/75/20/505947520.db2.gz RBTSUJROHHAZMT-ROUUACIJSA-N 0 3 351.425 3.293 20 30 FGEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCOc2ccccc2C#N)cc1 ZINC000284924552 497943702 /nfs/dbraw/zinc/94/37/02/497943702.db2.gz XZCHVUKLWKFWPU-HNNXBMFYSA-N 0 3 358.463 3.081 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000280934769 497957219 /nfs/dbraw/zinc/95/72/19/497957219.db2.gz WFEZNDZQUNMONY-FQEVSTJZSA-N 0 3 359.429 3.352 20 30 FGEDHN CCOc1ccc([C@@H]2C[C@H]2NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000280938902 497958098 /nfs/dbraw/zinc/95/80/98/497958098.db2.gz GDTRCNFKQOKIRO-SESVDKBCSA-N 0 3 359.429 3.312 20 30 FGEDHN CC(C)c1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1 ZINC000280947169 497960708 /nfs/dbraw/zinc/96/07/08/497960708.db2.gz QCYRKCSNUVSHLC-INIZCTEOSA-N 0 3 352.463 3.179 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000581297021 505955110 /nfs/dbraw/zinc/95/51/10/505955110.db2.gz RADFGXOUNNHRIL-WQTXXOFMSA-N 0 3 374.488 3.399 20 30 FGEDHN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329948991 497964694 /nfs/dbraw/zinc/96/46/94/497964694.db2.gz LDKPWOBGOMBMDV-FPOVZHCZSA-N 0 3 369.509 3.496 20 30 FGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2cccc(CO)c2)cc1C ZINC000292376661 497991837 /nfs/dbraw/zinc/99/18/37/497991837.db2.gz TXDKBHQWJMBUFQ-UHFFFAOYSA-O 0 3 369.510 3.164 20 30 FGEDHN CC(C(=O)NC1(c2ccccc2)CCC1)S(=O)(=O)C1CCOCC1 ZINC000330039225 497999180 /nfs/dbraw/zinc/99/91/80/497999180.db2.gz FFPQMGUEKFJERV-AWEZNQCLSA-N 0 3 351.468 3.005 20 30 FGEDHN CC[C@](C)(NC(=O)C(C)S(=O)(=O)C1CCOCC1)c1nc(C)cs1 ZINC000330148122 498039980 /nfs/dbraw/zinc/03/99/80/498039980.db2.gz JCNQUKJVKKTKDS-WBMJQRKESA-N 0 3 374.528 3.016 20 30 FGEDHN CS[C@H]1CN(C(=O)Nc2c(C)noc2-c2ccccc2)C[C@@H]1N(C)C ZINC000330161825 498045288 /nfs/dbraw/zinc/04/52/88/498045288.db2.gz RZUVYTUCPLVJEH-GJZGRUSLSA-N 0 3 360.483 3.173 20 30 FGEDHN O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCCN1C1CCCC1 ZINC000330288932 498095090 /nfs/dbraw/zinc/09/50/90/498095090.db2.gz DKXCUOUKNABBDQ-GOSISDBHSA-N 0 3 369.465 3.036 20 30 FGEDHN C[C@H](CN(C)CC#CCN(C)C[C@H](C)c1nccs1)c1nccs1 ZINC000569632803 505980433 /nfs/dbraw/zinc/98/04/33/505980433.db2.gz MOVALISUIDEOPZ-IYBDPMFKSA-N 0 3 362.568 3.374 20 30 FGEDHN CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000330478646 498139029 /nfs/dbraw/zinc/13/90/29/498139029.db2.gz LDIYZNONLHENGH-NSHDSACASA-N 0 3 370.247 3.455 20 30 FGEDHN CC(C)(C)OC(=O)C1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000330486478 498140532 /nfs/dbraw/zinc/14/05/32/498140532.db2.gz CSLJEPNDOYUPQF-UHFFFAOYSA-N 0 3 367.534 3.219 20 30 FGEDHN C[C@@H](CN(C)C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330671278 498170834 /nfs/dbraw/zinc/17/08/34/498170834.db2.gz FBDAKBOEHZUFQS-KFWWJZLASA-N 0 3 362.474 3.332 20 30 FGEDHN CS[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1N1CCCC1 ZINC000281522438 498181228 /nfs/dbraw/zinc/18/12/28/498181228.db2.gz IMGWLZGQWPGPNP-ROUUACIJSA-N 0 3 357.523 3.140 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)nc1 ZINC000301600762 498182004 /nfs/dbraw/zinc/18/20/04/498182004.db2.gz VCRSMACBVSMBFT-PXNSSMCTSA-N 0 3 364.493 3.320 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)nc1 ZINC000301600767 498182021 /nfs/dbraw/zinc/18/20/21/498182021.db2.gz VCRSMACBVSMBFT-YLJYHZDGSA-N 0 3 364.493 3.320 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC000293043578 498247080 /nfs/dbraw/zinc/24/70/80/498247080.db2.gz JZUIPFLUNNXIND-UHFFFAOYSA-N 0 3 374.500 3.322 20 30 FGEDHN N#Cc1cccc(OCCN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000360278193 498262537 /nfs/dbraw/zinc/26/25/37/498262537.db2.gz FKKMEVCVTQPCOA-NRFANRHFSA-N 0 3 361.445 3.385 20 30 FGEDHN CC(C)(C)N1CCCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000578731087 506007894 /nfs/dbraw/zinc/00/78/94/506007894.db2.gz AKUUOTVPOAYEQU-LJQANCHMSA-N 0 3 354.498 3.451 20 30 FGEDHN CC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c(Cl)c1 ZINC000331229467 498280220 /nfs/dbraw/zinc/28/02/20/498280220.db2.gz COUHAKZBPXYJKE-BXUZGUMPSA-N 0 3 352.866 3.258 20 30 FGEDHN CCOc1cc(Cl)ccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000331273430 498290691 /nfs/dbraw/zinc/29/06/91/498290691.db2.gz OOPUNKQJJDINJI-UHFFFAOYSA-N 0 3 368.909 3.091 20 30 FGEDHN Cc1cccc(C(=O)N2CCCN(CCCC3(C#N)CCOCC3)CC2)c1 ZINC000281940620 498326607 /nfs/dbraw/zinc/32/66/07/498326607.db2.gz IUWSSJLAIGHWAW-UHFFFAOYSA-N 0 3 369.509 3.244 20 30 FGEDHN N#CC1(CCCN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CCOCC1 ZINC000282068236 498377481 /nfs/dbraw/zinc/37/74/81/498377481.db2.gz SSJRPTKQAPGTFX-SFHVURJKSA-N 0 3 374.460 3.122 20 30 FGEDHN N#Cc1ccc2nc(NCc3ccccc3CN3CC[C@@H](O)C3)ccc2c1 ZINC000302072545 498397517 /nfs/dbraw/zinc/39/75/17/498397517.db2.gz ZHMQEEJTHXHSPM-HXUWFJFHSA-N 0 3 358.445 3.285 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000297486549 498466603 /nfs/dbraw/zinc/46/66/03/498466603.db2.gz AKGVETFATILGHT-LJQANCHMSA-N 0 3 367.497 3.181 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000297486546 498466757 /nfs/dbraw/zinc/46/67/57/498466757.db2.gz AKGVETFATILGHT-IBGZPJMESA-N 0 3 367.497 3.181 20 30 FGEDHN COC(=O)[C@@H]1CN(Cc2ccc(OC)c(OCCCC#N)c2)CC1(C)C ZINC000362338027 498499696 /nfs/dbraw/zinc/49/96/96/498499696.db2.gz ZRYQEWPVUZOKBQ-INIZCTEOSA-N 0 3 360.454 3.009 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cc(C(F)(F)F)ccn2)cc1 ZINC000293887170 498523747 /nfs/dbraw/zinc/52/37/47/498523747.db2.gz JAZNMEQKKGRQNX-OAHLLOKOSA-N 0 3 372.350 3.013 20 30 FGEDHN N#CCc1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000331993958 498525993 /nfs/dbraw/zinc/52/59/93/498525993.db2.gz PZBDZIYIVDZDPZ-UHFFFAOYSA-N 0 3 354.498 3.349 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000362620768 498526278 /nfs/dbraw/zinc/52/62/78/498526278.db2.gz HUEOBZFSCLNYSH-FQEVSTJZSA-N 0 3 354.498 3.013 20 30 FGEDHN Cc1c([C@@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000362656155 498533579 /nfs/dbraw/zinc/53/35/79/498533579.db2.gz GRFXWSZWJJJNEE-SFHVURJKSA-N 0 3 371.872 3.419 20 30 FGEDHN COC[C@H](C)OC[C@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000365713960 498610757 /nfs/dbraw/zinc/61/07/57/498610757.db2.gz UNYGHYHZMGDLJG-PNLZDCPESA-N 0 3 368.477 3.288 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C2CCC2)cc1 ZINC000297930831 498613245 /nfs/dbraw/zinc/61/32/45/498613245.db2.gz VMPXCYVHTXWWNP-CYBMUJFWSA-N 0 3 363.483 3.320 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000365749129 498623513 /nfs/dbraw/zinc/62/35/13/498623513.db2.gz FNEJZKDANLQOMI-QZTJIDSGSA-N 0 3 363.436 3.291 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2CN2CCC[C@H]2CO)c1 ZINC000363112724 498656238 /nfs/dbraw/zinc/65/62/38/498656238.db2.gz QIIFCYOXDPAAOY-OALUTQOASA-N 0 3 373.497 3.095 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000287460015 498765393 /nfs/dbraw/zinc/76/53/93/498765393.db2.gz XOQHAWPOWSOPGC-ACJLOTCBSA-N 0 3 369.446 3.181 20 30 FGEDHN COc1ccc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1C#N ZINC000291044024 498770130 /nfs/dbraw/zinc/77/01/30/498770130.db2.gz GYECJLWHSJJEKE-OAHLLOKOSA-N 0 3 364.449 3.337 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCSC(C)(C)C)cc1 ZINC000287480924 498772384 /nfs/dbraw/zinc/77/23/84/498772384.db2.gz YYGKRCWRUKDEER-LBPRGKRZSA-N 0 3 369.512 3.026 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298530386 498804281 /nfs/dbraw/zinc/80/42/81/498804281.db2.gz URLXFRNULRYEDP-OALUTQOASA-N 0 3 369.513 3.412 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)Nc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000328619489 498877772 /nfs/dbraw/zinc/87/77/72/498877772.db2.gz FWAJFIJEVKXHKD-QFBILLFUSA-N 0 3 370.501 3.074 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OCC3CCCC3)CC2)cc1 ZINC000366343819 498884137 /nfs/dbraw/zinc/88/41/37/498884137.db2.gz VGTQRXJTQXBELG-HXUWFJFHSA-N 0 3 365.477 3.438 20 30 FGEDHN CCN1CCC(NC(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 ZINC000328670641 498896923 /nfs/dbraw/zinc/89/69/23/498896923.db2.gz GQFCKKMOROFRDL-UHFFFAOYSA-N 0 3 360.502 3.281 20 30 FGEDHN Cc1nc2cccc(C(=O)N[C@@H](C)C3(N4CCOCC4)CCCC3)c2[nH]1 ZINC000328684546 498900968 /nfs/dbraw/zinc/90/09/68/498900968.db2.gz FCOVDSULOWMNDG-AWEZNQCLSA-N 0 3 356.470 3.209 20 30 FGEDHN Cc1nn(C)c(C)c1OCC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000328700546 498906351 /nfs/dbraw/zinc/90/63/51/498906351.db2.gz IRVDNONWOYEPMW-UHFFFAOYSA-N 0 3 362.518 3.419 20 30 FGEDHN Cn1cncc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CCO1 ZINC000328746312 498924324 /nfs/dbraw/zinc/92/43/24/498924324.db2.gz AMEGCRZLFZBBQA-SUMDDJOVSA-N 0 3 360.502 3.394 20 30 FGEDHN CCc1nc(CN2CCC[C@@H](N(C)[C@@H](C)c3cccc(C#N)c3)C2)no1 ZINC000363685096 498944871 /nfs/dbraw/zinc/94/48/71/498944871.db2.gz DHEZWDNGTRWGPO-MAUKXSAKSA-N 0 3 353.470 3.161 20 30 FGEDHN C=CC[C@H](C)NCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295242118 498953432 /nfs/dbraw/zinc/95/34/32/498953432.db2.gz STUFUQVKFKJXFV-RYUDHWBXSA-N 0 3 355.276 3.017 20 30 FGEDHN O=C(NC[C@@H]1CCCO1)c1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000328848043 498959709 /nfs/dbraw/zinc/95/97/09/498959709.db2.gz SUHHATXDEUZEGN-VNTMZGSJSA-N 0 3 370.493 3.217 20 30 FGEDHN C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000295283085 498965304 /nfs/dbraw/zinc/96/53/04/498965304.db2.gz HXBRGRUVYQOBNK-QGZVFWFLSA-N 0 3 355.482 3.050 20 30 FGEDHN CS[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1N(C)C ZINC000579214687 506121036 /nfs/dbraw/zinc/12/10/36/506121036.db2.gz SRRPQJXIRZAHFY-ZIAGYGMSSA-N 0 3 364.877 3.381 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)Nc2cccc(OCC#N)c2)CCN1Cc1ccccc1 ZINC000288336141 498997602 /nfs/dbraw/zinc/99/76/02/498997602.db2.gz ZWVABXOBGKWFLM-OXQOHEQNSA-N 0 3 364.449 3.373 20 30 FGEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000328992031 499009052 /nfs/dbraw/zinc/00/90/52/499009052.db2.gz VNUPESFEQVRYBH-AQCRLBJHSA-N 0 3 372.509 3.272 20 30 FGEDHN O=C(Nc1cccc(C(=O)N2CCCN(CC3CCC3)CC2)c1)NC1CC1 ZINC000328997191 499009532 /nfs/dbraw/zinc/00/95/32/499009532.db2.gz KCNBPNJNZKFTQU-UHFFFAOYSA-N 0 3 370.497 3.123 20 30 FGEDHN CN1CCC2(CCCN2C(=O)NCCNC(=O)CC2CCCCC2)CC1 ZINC000329079624 499035876 /nfs/dbraw/zinc/03/58/76/499035876.db2.gz QXJAXHOJRUAMQX-UHFFFAOYSA-N 0 3 364.534 3.388 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000366724995 499049434 /nfs/dbraw/zinc/04/94/34/499049434.db2.gz QTGHGPPKXGIEFN-QFUCXCTJSA-N 0 3 371.525 3.492 20 30 FGEDHN COc1ccc(CNC[C@@H](c2ccco2)N(C)C)cc1OCCCC#N ZINC000299434386 499058289 /nfs/dbraw/zinc/05/82/89/499058289.db2.gz CBQUEFWMRGHRPO-KRWDZBQOSA-N 0 3 357.454 3.363 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291784635 499066336 /nfs/dbraw/zinc/06/63/36/499066336.db2.gz XVMJHWBZZPQEPO-XUWXXGDYSA-N 0 3 350.374 3.220 20 30 FGEDHN CCCCOc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000284288143 499083227 /nfs/dbraw/zinc/08/32/27/499083227.db2.gz KCMCTEUOPDQOSZ-DNTCVELPSA-N 0 3 357.454 3.043 20 30 FGEDHN COCCN1CC[C@@H](NC(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 ZINC000329294227 499092053 /nfs/dbraw/zinc/09/20/53/499092053.db2.gz JMUSDFARJMPWFR-NKELODKYSA-N 0 3 363.477 3.076 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)N2CCCC2)cc1 ZINC000329306700 499095225 /nfs/dbraw/zinc/09/52/25/499095225.db2.gz YUFPSFSYXOYRQM-GUDVDZBRSA-N 0 3 370.497 3.097 20 30 FGEDHN COc1cccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2ccc(C)cc2)c1 ZINC000284373599 499096292 /nfs/dbraw/zinc/09/62/92/499096292.db2.gz LPQVZKQWLNULCQ-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN CC(C)(CNC(=O)NCC1CCC(C#N)CC1)N1CCc2ccccc2C1 ZINC000573166809 506134128 /nfs/dbraw/zinc/13/41/28/506134128.db2.gz POJZULMVULZWLA-UHFFFAOYSA-N 0 3 368.525 3.452 20 30 FGEDHN Cc1c(C(=O)NC[C@H]2CCN(C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000329378433 499111310 /nfs/dbraw/zinc/11/13/10/499111310.db2.gz MOWKMRNXMHQNHQ-CYBMUJFWSA-N 0 3 359.861 3.018 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)[C@H]2C1 ZINC000329408534 499116270 /nfs/dbraw/zinc/11/62/70/499116270.db2.gz CNWIFXPCSBFHRR-ZBFHGGJFSA-N 0 3 369.494 3.199 20 30 FGEDHN CC[C@@H]1C[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)CC(=O)N1 ZINC000329419174 499118409 /nfs/dbraw/zinc/11/84/09/499118409.db2.gz GWGTVOMNCXEECN-QZTJIDSGSA-N 0 3 373.497 3.245 20 30 FGEDHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCn2cncc2C1 ZINC000329442445 499122135 /nfs/dbraw/zinc/12/21/35/499122135.db2.gz LEMJTGZFZSFQQD-OALUTQOASA-N 0 3 352.482 3.457 20 30 FGEDHN COCc1cccc2sc(=NC(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)[nH]c21 ZINC000329460215 499124851 /nfs/dbraw/zinc/12/48/51/499124851.db2.gz SAAXYYZCKIUUNW-JSGCOSHPSA-N 0 3 360.483 3.014 20 30 FGEDHN Cc1sc2ncn(CCC(=O)N[C@@H](C)C3=CCN(C)CC3)c(=O)c2c1C ZINC000329482957 499127431 /nfs/dbraw/zinc/12/74/31/499127431.db2.gz DYUOIGSMVBBGQH-ZDUSSCGKSA-N 0 3 374.510 3.072 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000329492175 499127829 /nfs/dbraw/zinc/12/78/29/499127829.db2.gz TUMOFPCEXLAEMA-CQSZACIVSA-N 0 3 352.862 3.485 20 30 FGEDHN CC[C@H](C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)N1CCCC1=O ZINC000329519781 499128901 /nfs/dbraw/zinc/12/89/01/499128901.db2.gz ZWMITSCKLWAUCQ-DAYGRLMNSA-N 0 3 363.527 3.489 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2NCc2ccncc2OCC(F)F)O1 ZINC000367036888 499137618 /nfs/dbraw/zinc/13/76/18/499137618.db2.gz PSNQCKCJNLJHLT-FPCVCCKLSA-N 0 3 351.397 3.055 20 30 FGEDHN CN(C(=O)c1ccc(NCc2ccc(C#N)s2)cc1)[C@H]1CCCN(C)C1 ZINC000367065504 499142895 /nfs/dbraw/zinc/14/28/95/499142895.db2.gz GEUTURQDGUYRPX-KRWDZBQOSA-N 0 3 368.506 3.398 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000367611338 499217407 /nfs/dbraw/zinc/21/74/07/499217407.db2.gz BRUZOZKGBMOVFX-KBAYOESNSA-N 0 3 369.490 3.499 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H](c2ccccn2)C2CCCC2)cc1 ZINC000367646238 499221038 /nfs/dbraw/zinc/22/10/38/499221038.db2.gz QIBFZTVWJKINDJ-NQIIRXRSSA-N 0 3 351.450 3.214 20 30 FGEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000368257784 499278971 /nfs/dbraw/zinc/27/89/71/499278971.db2.gz CTHKEMOXFYMYEC-LJQANCHMSA-N 0 3 362.477 3.019 20 30 FGEDHN COc1ccc(C2=CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc1OC ZINC000371464762 499330432 /nfs/dbraw/zinc/33/04/32/499330432.db2.gz WKDJUXGBSJPBMM-FQEVSTJZSA-N 0 3 364.445 3.398 20 30 FGEDHN CN1CC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000368800010 499333986 /nfs/dbraw/zinc/33/39/86/499333986.db2.gz ZIHABXHKHKRXTJ-APWZRJJASA-N 0 3 365.502 3.461 20 30 FGEDHN CO/N=C/c1ccc(C(=O)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000368803501 499334380 /nfs/dbraw/zinc/33/43/80/499334380.db2.gz CTTXMNZVLKIUNX-DEDYPNTBSA-N 0 3 357.479 3.123 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CC(OCc3ccccc3)C2)cc1 ZINC000369075982 499363062 /nfs/dbraw/zinc/36/30/62/499363062.db2.gz JDEXLHWTEOZUBE-MWXLCCTBSA-N 0 3 359.429 3.105 20 30 FGEDHN CCO[C@@H](C)c1noc(CN2CCCN(CCCC(C)(C)C#N)CC2)n1 ZINC000371844151 499370949 /nfs/dbraw/zinc/37/09/49/499370949.db2.gz JRXAGFNKZDKUDT-INIZCTEOSA-N 0 3 363.506 3.005 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000369401178 499399941 /nfs/dbraw/zinc/39/99/41/499399941.db2.gz KXAHUSDKSHAFRI-HLAWJBBLSA-N 0 3 371.525 3.274 20 30 FGEDHN CN1CC[C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1cccnc1 ZINC000369555404 499417169 /nfs/dbraw/zinc/41/71/69/499417169.db2.gz CCZFKRNIQTVSTE-CBQOVEMMSA-N 0 3 362.477 3.278 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369568559 499419735 /nfs/dbraw/zinc/41/97/35/499419735.db2.gz LRDXIPCKLPFJAE-GMBSWORKSA-N 0 3 369.490 3.196 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000372413466 499431895 /nfs/dbraw/zinc/43/18/95/499431895.db2.gz LVKFMSUXPIAJPW-HXUWFJFHSA-N 0 3 354.498 3.013 20 30 FGEDHN N#Cc1c(F)ccc(CNC2CCN(Cc3ccncc3)CC2)c1Cl ZINC000372992928 499446381 /nfs/dbraw/zinc/44/63/81/499446381.db2.gz MKXOZXIKKINAFJ-UHFFFAOYSA-N 0 3 358.848 3.500 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373428943 499469208 /nfs/dbraw/zinc/46/92/08/499469208.db2.gz VVJBDLZDPNDZMS-UHFFFAOYSA-N 0 3 365.399 3.402 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000373432747 499469423 /nfs/dbraw/zinc/46/94/23/499469423.db2.gz RTQHJCQWXMHJGQ-LJQANCHMSA-N 0 3 367.412 3.014 20 30 FGEDHN C[C@H](CN1CCC(n2cnc(C#N)n2)CC1)c1cccc(Br)c1 ZINC000373485391 499472555 /nfs/dbraw/zinc/47/25/55/499472555.db2.gz NPJODZFDZFDCMI-CYBMUJFWSA-N 0 3 374.286 3.353 20 30 FGEDHN CCN1CCC(N(CC(=O)Nc2sc(C)c(C)c2C#N)C2CC2)CC1 ZINC000378289295 499498298 /nfs/dbraw/zinc/49/82/98/499498298.db2.gz FCSFEBIHPCCMGU-UHFFFAOYSA-N 0 3 360.527 3.124 20 30 FGEDHN CCn1cnnc1C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000378350070 499504908 /nfs/dbraw/zinc/50/49/08/499504908.db2.gz QTEJWGLUWBBUKD-UHFFFAOYSA-N 0 3 352.486 3.027 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(NC(=O)c3cccs3)CC2)cc1 ZINC000378354274 499505694 /nfs/dbraw/zinc/50/56/94/499505694.db2.gz ILXBMLVUWZBUIF-HNNXBMFYSA-N 0 3 369.490 3.433 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H](c2ccccc2)C2CCOCC2)CCCCC1 ZINC000378466698 499520726 /nfs/dbraw/zinc/52/07/26/499520726.db2.gz MCPXJNQCZDOZCR-FQEVSTJZSA-N 0 3 355.482 3.087 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000378645672 499540524 /nfs/dbraw/zinc/54/05/24/499540524.db2.gz NTFYFSBRGMTTGJ-MRXNPFEDSA-N 0 3 359.426 3.241 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](n3cc4ccccc4n3)C2)cc1 ZINC000375682837 499544886 /nfs/dbraw/zinc/54/48/86/499544886.db2.gz LHEFPJIADJFUQQ-PMACEKPBSA-N 0 3 369.428 3.064 20 30 FGEDHN COc1ccccc1O[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000375744140 499550738 /nfs/dbraw/zinc/55/07/38/499550738.db2.gz QHXHHGKGBLCNJS-RTBURBONSA-N 0 3 352.434 3.144 20 30 FGEDHN N#CCc1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000404200560 499569963 /nfs/dbraw/zinc/56/99/63/499569963.db2.gz PSRTUDLNBDOXLT-XZOQPEGZSA-N 0 3 361.489 3.228 20 30 FGEDHN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000376730022 499632389 /nfs/dbraw/zinc/63/23/89/499632389.db2.gz VJMHDZFSCIMQAD-IAGOWNOFSA-N 0 3 364.474 3.242 20 30 FGEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000411445413 499741336 /nfs/dbraw/zinc/74/13/36/499741336.db2.gz ACFVYUCDVGCFTR-INIZCTEOSA-N 0 3 363.527 3.452 20 30 FGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000414165092 499765076 /nfs/dbraw/zinc/76/50/76/499765076.db2.gz LGHRCAHAEHVZEE-INIZCTEOSA-N 0 3 363.527 3.452 20 30 FGEDHN COc1cc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)ccc1C#N ZINC000414540367 499805433 /nfs/dbraw/zinc/80/54/33/499805433.db2.gz OTCRICOMRWFGGI-OAQYLSRUSA-N 0 3 366.461 3.187 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000411988839 499810303 /nfs/dbraw/zinc/81/03/03/499810303.db2.gz WKCITZBEMHMRAW-INIZCTEOSA-N 0 3 368.506 3.155 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCNCc1cccnc1 ZINC000415003557 499853697 /nfs/dbraw/zinc/85/36/97/499853697.db2.gz NGXVRGOQMFYJLD-UHFFFAOYSA-N 0 3 367.453 3.042 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415167039 499872558 /nfs/dbraw/zinc/87/25/58/499872558.db2.gz SACNDBLPMPYZEO-SMDDNHRTSA-N 0 3 354.426 3.057 20 30 FGEDHN CN1CCC[C@@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000570418795 506163971 /nfs/dbraw/zinc/16/39/71/506163971.db2.gz STVZCKWEVZMOFO-WOJBJXKFSA-N 0 3 360.461 3.224 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1)C(C)C ZINC000413105641 499914739 /nfs/dbraw/zinc/91/47/39/499914739.db2.gz AEGHITTWAYWZJD-PCCBWWKXSA-N 0 3 371.525 3.203 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000415823660 499920986 /nfs/dbraw/zinc/92/09/86/499920986.db2.gz QZGYHMGGILNBME-SFHVURJKSA-N 0 3 357.498 3.111 20 30 FGEDHN C=CCOc1ccccc1C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416341978 500020965 /nfs/dbraw/zinc/02/09/65/500020965.db2.gz OFLYLVPBQOVMFD-UHFFFAOYSA-N 0 3 370.449 3.453 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1F ZINC000421360773 500025913 /nfs/dbraw/zinc/02/59/13/500025913.db2.gz FQCWUMNUISAGOA-IBGZPJMESA-N 0 3 351.425 3.021 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2Cc3cccc(O)c3C2)c1C ZINC000429303946 500047957 /nfs/dbraw/zinc/04/79/57/500047957.db2.gz XEHNXNHCUWKOAG-SFHVURJKSA-N 0 3 363.461 3.013 20 30 FGEDHN C=CCN1CC[C@@H](N[C@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000429365339 500061647 /nfs/dbraw/zinc/06/16/47/500061647.db2.gz INXGOAHKPZFPGR-CVEARBPZSA-N 0 3 363.299 3.449 20 30 FGEDHN COCC(C)(C)N1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000425349572 500081256 /nfs/dbraw/zinc/08/12/56/500081256.db2.gz KXAZVHMOVPTFDG-UHFFFAOYSA-N 0 3 355.404 3.120 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)NCc3ccc(C#N)s3)cc2)CC1 ZINC000421604257 500090918 /nfs/dbraw/zinc/09/09/18/500090918.db2.gz YNXQSPUFLRRLJK-UHFFFAOYSA-N 0 3 368.506 3.080 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000425500287 500125592 /nfs/dbraw/zinc/12/55/92/500125592.db2.gz LNLRIRKJFDOGLX-UFYCRDLUSA-N 0 3 359.514 3.033 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(C#N)s1 ZINC000422215727 500235732 /nfs/dbraw/zinc/23/57/32/500235732.db2.gz IQLNUXZWCKZYMO-UHFFFAOYSA-N 0 3 370.522 3.326 20 30 FGEDHN CCCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(=O)Nc1cc(C)on1 ZINC000419383337 500360251 /nfs/dbraw/zinc/36/02/51/500360251.db2.gz ZZIRPLUQWHATCN-OALUTQOASA-N 0 3 366.465 3.441 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(OC2CCC2)CC1)C(C)C ZINC000419410572 500363130 /nfs/dbraw/zinc/36/31/30/500363130.db2.gz ANKDWPVADKBRQN-HXUWFJFHSA-N 0 3 363.546 3.428 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C#N)CCC1 ZINC000419506419 500373181 /nfs/dbraw/zinc/37/31/81/500373181.db2.gz NJTTYEWSYRZKCB-SFHVURJKSA-N 0 3 354.498 3.280 20 30 FGEDHN C=CCCCS(=O)(=O)N1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000431576410 500394237 /nfs/dbraw/zinc/39/42/37/500394237.db2.gz ULORHUNLAPILHR-UHFFFAOYSA-N 0 3 362.539 3.271 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C#N)s2)CC1 ZINC000582354351 506194677 /nfs/dbraw/zinc/19/46/77/506194677.db2.gz VMCFKVAXJMQONZ-UHFFFAOYSA-N 0 3 368.506 3.426 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000424096131 500452254 /nfs/dbraw/zinc/45/22/54/500452254.db2.gz XRJUMWDICDLPNI-GJZGRUSLSA-N 0 3 350.260 3.134 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000424109551 500455448 /nfs/dbraw/zinc/45/54/48/500455448.db2.gz VOURSZRZBOUHTA-FQEVSTJZSA-N 0 3 351.450 3.406 20 30 FGEDHN COc1ccc(CC[C@H]2CCCCN2C(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424117470 500456358 /nfs/dbraw/zinc/45/63/58/500456358.db2.gz YXJCJBCOTGYARK-MSOLQXFVSA-N 0 3 373.497 3.039 20 30 FGEDHN CCN(c1ccccc1)c1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424128072 500458101 /nfs/dbraw/zinc/45/81/01/500458101.db2.gz QTRHAVPKTIRXCC-HXUWFJFHSA-N 0 3 350.466 3.482 20 30 FGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000424189736 500465337 /nfs/dbraw/zinc/46/53/37/500465337.db2.gz DVFVTYSJEINYNL-XJKSGUPXSA-N 0 3 364.287 3.068 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424438114 500505335 /nfs/dbraw/zinc/50/53/35/500505335.db2.gz OXUAGVVADCIUSG-UHFFFAOYSA-N 0 3 352.438 3.006 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000420814072 500507815 /nfs/dbraw/zinc/50/78/15/500507815.db2.gz WKTCAFVYLZNINZ-WBVHZDCISA-N 0 3 368.506 3.472 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1cscc1C#N)c1cccc(OC)c1 ZINC000432555216 500532194 /nfs/dbraw/zinc/53/21/94/500532194.db2.gz MFDTVFHNEARZDC-SFHVURJKSA-N 0 3 357.479 3.441 20 30 FGEDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000421023404 500557148 /nfs/dbraw/zinc/55/71/48/500557148.db2.gz PRUAJEGBKCGBCE-DOTOQJQBSA-N 0 3 371.481 3.187 20 30 FGEDHN C[C@H]1CN(CCCNc2c(C#N)cnc3c(F)cc(F)cc32)CCCO1 ZINC000432845255 500576413 /nfs/dbraw/zinc/57/64/13/500576413.db2.gz HXIRYIWBUMHJMJ-ZDUSSCGKSA-N 0 3 360.408 3.297 20 30 FGEDHN COc1cccc(S(=O)(=O)CCN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433015166 500607144 /nfs/dbraw/zinc/60/71/44/500607144.db2.gz VXNXPZCIDZOHRA-HXUWFJFHSA-N 0 3 372.490 3.494 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)NC(=O)NCc1cccs1)c1ccccc1 ZINC000433016981 500607553 /nfs/dbraw/zinc/60/75/53/500607553.db2.gz WGNBNRGALPMPOA-QGZVFWFLSA-N 0 3 370.478 3.099 20 30 FGEDHN C=CCN(Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000442893304 500642549 /nfs/dbraw/zinc/64/25/49/500642549.db2.gz XTFSFUTZGLZDFM-INIZCTEOSA-N 0 3 374.448 3.292 20 30 FGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000433222999 500649798 /nfs/dbraw/zinc/64/97/98/500649798.db2.gz ZFIIBWPXBKKMLI-WMLDXEAASA-N 0 3 350.422 3.127 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000433218503 500650120 /nfs/dbraw/zinc/65/01/20/500650120.db2.gz JBFZONRQXKZSBT-QFIPXVFZSA-N 0 3 361.489 3.146 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000437511949 500652993 /nfs/dbraw/zinc/65/29/93/500652993.db2.gz BEIOYYYWZHLKPJ-GGPKGHCWSA-N 0 3 360.473 3.135 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000437521548 500654347 /nfs/dbraw/zinc/65/43/47/500654347.db2.gz FYSKIIGIIQIEFB-NRFANRHFSA-N 0 3 363.461 3.220 20 30 FGEDHN Cn1c(CCNC(=O)C(C#N)CCc2ccccc2)nc2c1cccc2F ZINC000433349832 500677930 /nfs/dbraw/zinc/67/79/30/500677930.db2.gz CXJBFCDPEQOFAG-MRXNPFEDSA-N 0 3 364.424 3.144 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000433356861 500679963 /nfs/dbraw/zinc/67/99/63/500679963.db2.gz TUKXKKCQUWOKRA-QGZVFWFLSA-N 0 3 368.506 3.175 20 30 FGEDHN COCCN([C@@H]1CCC[C@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877569 500683719 /nfs/dbraw/zinc/68/37/19/500683719.db2.gz FIMQJJRCXJDWHH-NSISKUIASA-N 0 3 355.482 3.191 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000437780989 500694619 /nfs/dbraw/zinc/69/46/19/500694619.db2.gz DXMPPMBOMUMBPW-ACRUOGEOSA-N 0 3 371.525 3.177 20 30 FGEDHN N#Cc1ccsc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000443328901 500710823 /nfs/dbraw/zinc/71/08/23/500710823.db2.gz QYHPBNGNHLFNAH-UHFFFAOYSA-N 0 3 373.453 3.032 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000437929894 500718294 /nfs/dbraw/zinc/71/82/94/500718294.db2.gz HZCKTRNXLKKIAM-AQNXPRMDSA-N 0 3 357.498 3.104 20 30 FGEDHN C=CCc1cc(CN(CCOC)[C@H]2CCCSC2)cc(OC)c1O ZINC000448373835 500755409 /nfs/dbraw/zinc/75/54/09/500755409.db2.gz JVDYZBKXMONKNE-KRWDZBQOSA-N 0 3 351.512 3.473 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000448603953 500782770 /nfs/dbraw/zinc/78/27/70/500782770.db2.gz AZBGVHGUURAOJK-HXUWFJFHSA-N 0 3 350.462 3.185 20 30 FGEDHN Cc1cc(CNC[C@H](c2ccc(F)cc2)N2CCOCC2)ccc1C#N ZINC000443966447 500785166 /nfs/dbraw/zinc/78/51/66/500785166.db2.gz YAMWXBLSBNQCIE-OAQYLSRUSA-N 0 3 353.441 3.169 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)Nc1cccc(C#N)n1 ZINC000582419308 506217859 /nfs/dbraw/zinc/21/78/59/506217859.db2.gz WNLCNOKYZTUWAP-UHFFFAOYSA-N 0 3 364.453 3.119 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000448920284 500869635 /nfs/dbraw/zinc/86/96/35/500869635.db2.gz GOOAJCNRXJBSDT-UHFFFAOYSA-N 0 3 356.388 3.126 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)C(C)C ZINC000435034457 500924929 /nfs/dbraw/zinc/92/49/29/500924929.db2.gz NDZNNQLXRPLHFU-FQEVSTJZSA-N 0 3 351.494 3.405 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cnn(C)c1C(F)(F)F)C(C)C ZINC000445025124 500934395 /nfs/dbraw/zinc/93/43/95/500934395.db2.gz XQWYMOMLDXEEDJ-CQSZACIVSA-N 0 3 373.423 3.259 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCC2=O)cc1)C(C)C ZINC000439958755 500959916 /nfs/dbraw/zinc/95/99/16/500959916.db2.gz OKWJJTKKISCLDF-IBGZPJMESA-N 0 3 370.497 3.243 20 30 FGEDHN C[C@@H](CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000449285427 500966470 /nfs/dbraw/zinc/96/64/70/500966470.db2.gz QLXFVLBTNSGGCH-XOBRGWDASA-N 0 3 369.415 3.331 20 30 FGEDHN C=CCOc1ccccc1CN1CCC(n2cc(C(=O)OCC)cn2)CC1 ZINC000449409016 500996664 /nfs/dbraw/zinc/99/66/64/500996664.db2.gz MTXAXMSVHBGZPF-UHFFFAOYSA-N 0 3 369.465 3.462 20 30 FGEDHN COc1cc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000440621978 501030256 /nfs/dbraw/zinc/03/02/56/501030256.db2.gz DDSFTIGXXGLYKX-FXAWDEMLSA-N 0 3 369.852 3.282 20 30 FGEDHN COc1cc(CNCCOc2cccc(Br)c2)ccc1C#N ZINC000440801730 501050211 /nfs/dbraw/zinc/05/02/11/501050211.db2.gz IQZRIRXZZXMSMQ-UHFFFAOYSA-N 0 3 361.239 3.498 20 30 FGEDHN COc1cc(CN(C)CC2(CO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000446080926 501071557 /nfs/dbraw/zinc/07/15/57/501071557.db2.gz UNRXSTXHIUFMKF-UHFFFAOYSA-N 0 3 366.461 3.350 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441275228 501112502 /nfs/dbraw/zinc/11/25/02/501112502.db2.gz IGYUBJXSHPXRKH-OKZBNKHCSA-N 0 3 362.539 3.400 20 30 FGEDHN C=CCc1cc(CN[C@]2(CO)CCCc3ccccc32)cc(OC)c1O ZINC000441336706 501122928 /nfs/dbraw/zinc/12/29/28/501122928.db2.gz SVHXRJXSLMXRCN-QFIPXVFZSA-N 0 3 353.462 3.443 20 30 FGEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSCCN(C)C)c1C#N ZINC000446575392 501136425 /nfs/dbraw/zinc/13/64/25/501136425.db2.gz ZRBKUZASYVFMRW-UHFFFAOYSA-N 0 3 370.522 3.258 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000450527097 501145110 /nfs/dbraw/zinc/14/51/10/501145110.db2.gz JCVIUHFONXVFMA-GOSISDBHSA-N 0 3 369.425 3.363 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000436717759 501196628 /nfs/dbraw/zinc/19/66/28/501196628.db2.gz CWDNMXVQIMEENA-LPHOPBHVSA-N 0 3 363.461 3.235 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1noc(C)n1 ZINC000450743753 501199229 /nfs/dbraw/zinc/19/92/29/501199229.db2.gz JANHKTQAGZORJM-CYBMUJFWSA-N 0 3 362.503 3.037 20 30 FGEDHN Cc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc(OCCO)c1 ZINC000447071120 501200271 /nfs/dbraw/zinc/20/02/71/501200271.db2.gz ZOFGHXCVIVTVRX-UHFFFAOYSA-N 0 3 365.477 3.314 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H]2CCc3c2cccc3O)c(OC)c1 ZINC000451176129 501250149 /nfs/dbraw/zinc/25/01/49/501250149.db2.gz OOBXRXANHQYXSM-VQIMIIECSA-N 0 3 369.461 3.146 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC2(C)C)cc1 ZINC000455264535 501258437 /nfs/dbraw/zinc/25/84/37/501258437.db2.gz ZUUYNDCXNCYKMX-ZIAGYGMSSA-N 0 3 363.483 3.320 20 30 FGEDHN CC(C)N(CCN(C)S(=O)(=O)c1ccc(CC#N)cc1Cl)C(C)C ZINC000451387135 501281093 /nfs/dbraw/zinc/28/10/93/501281093.db2.gz YKFLBPMPTFPEMV-UHFFFAOYSA-N 0 3 371.934 3.145 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000455419377 501297676 /nfs/dbraw/zinc/29/76/76/501297676.db2.gz KDQGFMQVPWSMIX-URVUXULASA-N 0 3 369.509 3.028 20 30 FGEDHN CO[C@@]1(C)C[C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C1(C)C ZINC000451483811 501303307 /nfs/dbraw/zinc/30/33/07/501303307.db2.gz FQFYTXZIVSOFHO-NQIIRXRSSA-N 0 3 357.498 3.343 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455553900 501332569 /nfs/dbraw/zinc/33/25/69/501332569.db2.gz MRXBNHYPQNQPOT-UHFFFAOYSA-N 0 3 371.525 3.133 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000455726022 501373818 /nfs/dbraw/zinc/37/38/18/501373818.db2.gz OKYNWZICYKLCDX-UHFFFAOYSA-N 0 3 362.421 3.410 20 30 FGEDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)C1 ZINC000455771618 501382755 /nfs/dbraw/zinc/38/27/55/501382755.db2.gz NSLHMRCHLQCUSF-FQEVSTJZSA-N 0 3 356.470 3.295 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455793132 501387334 /nfs/dbraw/zinc/38/73/34/501387334.db2.gz RPMWHFZEUYCGMN-UGSOOPFHSA-N 0 3 369.856 3.249 20 30 FGEDHN C[C@@H](CC#N)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455944092 501422422 /nfs/dbraw/zinc/42/24/22/501422422.db2.gz MJJIWIMVXHMHQJ-LBPRGKRZSA-N 0 3 350.850 3.237 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CNC(C)(C)CN2CCCC2)c1 ZINC000452080153 501430880 /nfs/dbraw/zinc/43/08/80/501430880.db2.gz BHGWRFJMQQPUPK-UHFFFAOYSA-N 0 3 356.514 3.014 20 30 FGEDHN COc1ccc(C#N)cc1CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452107150 501436517 /nfs/dbraw/zinc/43/65/17/501436517.db2.gz ALIOSXCJUYYUNS-UHFFFAOYSA-N 0 3 355.404 3.415 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1C#N ZINC000456107358 501456236 /nfs/dbraw/zinc/45/62/36/501456236.db2.gz ICQKWTVJSUTRAF-GOSISDBHSA-N 0 3 371.481 3.317 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)Nc3cccc(CC#N)c3)CC2)c1 ZINC000456720277 501586095 /nfs/dbraw/zinc/58/60/95/501586095.db2.gz AIESOYAYOGTVTQ-UHFFFAOYSA-N 0 3 362.477 3.212 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1CN1CCCN(Cc2ccccc2)CC1 ZINC000459300929 501627356 /nfs/dbraw/zinc/62/73/56/501627356.db2.gz IPGOYOBEMMYNMC-UHFFFAOYSA-N 0 3 350.422 3.174 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cnc(C4CC4)nc3)C2)c(F)c1 ZINC000459396777 501646274 /nfs/dbraw/zinc/64/62/74/501646274.db2.gz FVVDNDCPASPPGM-QGZVFWFLSA-N 0 3 351.429 3.123 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1C#N ZINC000459552102 501674925 /nfs/dbraw/zinc/67/49/25/501674925.db2.gz QYPHEKAYHDOJLQ-INIZCTEOSA-N 0 3 355.467 3.282 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)c(Cl)c(OC)c2)CC1 ZINC000459666648 501695608 /nfs/dbraw/zinc/69/56/08/501695608.db2.gz CHMADFZBRTYTBV-UHFFFAOYSA-N 0 3 353.850 3.129 20 30 FGEDHN COc1cccc([C@@H](CNC(=O)NCC(C)(C)CC#N)N2CCCC2)c1 ZINC000457490168 501709281 /nfs/dbraw/zinc/70/92/81/501709281.db2.gz SXQWPCGAUYZNKP-GOSISDBHSA-N 0 3 358.486 3.071 20 30 FGEDHN CO[C@H]1C[C@@H](NCC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000459761001 501710205 /nfs/dbraw/zinc/71/02/05/501710205.db2.gz MYBDPVUVYNHBLH-SJORKVTESA-N 0 3 361.873 3.134 20 30 FGEDHN COCC[C@@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000467271436 501754230 /nfs/dbraw/zinc/75/42/30/501754230.db2.gz NVTNRRJUMHYHLA-OALUTQOASA-N 0 3 357.498 3.460 20 30 FGEDHN C=CCCN(C)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000467292513 501760984 /nfs/dbraw/zinc/76/09/84/501760984.db2.gz CATPJCGFBIJKMD-UHFFFAOYSA-N 0 3 374.872 3.389 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000485285330 501777387 /nfs/dbraw/zinc/77/73/87/501777387.db2.gz JRTWVVMCNZXLEM-GOSISDBHSA-N 0 3 371.387 3.445 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000470746196 501789298 /nfs/dbraw/zinc/78/92/98/501789298.db2.gz SJIACAUHEXHKDS-INIZCTEOSA-N 0 3 373.334 3.456 20 30 FGEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1(C)C ZINC000467429497 501792508 /nfs/dbraw/zinc/79/25/08/501792508.db2.gz LZQLXQBEHKFSNK-BHIYHBOVSA-N 0 3 357.498 3.342 20 30 FGEDHN CCN(CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1C ZINC000470839667 501824886 /nfs/dbraw/zinc/82/48/86/501824886.db2.gz KGJNRPLYFINMDW-HXUWFJFHSA-N 0 3 360.461 3.192 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(Br)cs2)cc1 ZINC000470845092 501826672 /nfs/dbraw/zinc/82/66/72/501826672.db2.gz NEAQCNZTAVAJSJ-ZDUSSCGKSA-N 0 3 374.263 3.381 20 30 FGEDHN COc1ccc(CNC(=O)CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481664818 501844287 /nfs/dbraw/zinc/84/42/87/501844287.db2.gz DQBLJUCVMFLOIP-OAQYLSRUSA-N 0 3 363.461 3.240 20 30 FGEDHN CCCCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000470986133 501884156 /nfs/dbraw/zinc/88/41/56/501884156.db2.gz SSZKWWAAVYMADY-GBESFXJTSA-N 0 3 353.466 3.341 20 30 FGEDHN CCOc1ccc2c(c1)CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000471038159 501899028 /nfs/dbraw/zinc/89/90/28/501899028.db2.gz OOMCJNFKHQKAJD-FQEVSTJZSA-N 0 3 359.429 3.224 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460802529 501924148 /nfs/dbraw/zinc/92/41/48/501924148.db2.gz CDCABYJIFMPVEK-SJORKVTESA-N 0 3 364.497 3.312 20 30 FGEDHN CC(C)(C)OC1CC(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471151230 501935582 /nfs/dbraw/zinc/93/55/82/501935582.db2.gz LHBQAQHTXNXQRN-JLAWEPINSA-N 0 3 353.466 3.341 20 30 FGEDHN N#Cc1ccc(CN2CCN(CCCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000482077399 501967040 /nfs/dbraw/zinc/96/70/40/501967040.db2.gz PRVPFZUHHILMLC-UHFFFAOYSA-N 0 3 361.489 3.244 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@H]1CCCO1 ZINC000468472949 502070511 /nfs/dbraw/zinc/07/05/11/502070511.db2.gz PLRMGSROISIWBY-MRXNPFEDSA-N 0 3 350.532 3.154 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2cccc(OCc3ccccc3C#N)c2)[C@@H]1OC ZINC000482499374 502089153 /nfs/dbraw/zinc/08/91/53/502089153.db2.gz NVJLWQAJEJHNDD-BDTNDASRSA-N 0 3 366.461 3.419 20 30 FGEDHN C=CCOc1cccnc1C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000471657773 502100853 /nfs/dbraw/zinc/10/08/53/502100853.db2.gz ZNUPCPJBRSFZFD-UHFFFAOYSA-N 0 3 366.465 3.041 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCN(CC)C1CC1 ZINC000475266849 502111761 /nfs/dbraw/zinc/11/17/61/502111761.db2.gz SOYIRWBNJIGKRC-UHFFFAOYSA-N 0 3 357.498 3.078 20 30 FGEDHN C[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)N1CCCCCC1 ZINC000468625743 502129861 /nfs/dbraw/zinc/12/98/61/502129861.db2.gz UNBHUFADXFTVLJ-XJKSGUPXSA-N 0 3 364.287 3.394 20 30 FGEDHN N#CC(C(=O)Nc1ncc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000461797496 502205294 /nfs/dbraw/zinc/20/52/94/502205294.db2.gz QEGPZKINSRHYMU-ZDUSSCGKSA-N 0 3 365.374 3.359 20 30 FGEDHN COc1cc(CN2CC[C@H](OC)C2)ccc1OCc1cccc(C#N)c1 ZINC000482931967 502220176 /nfs/dbraw/zinc/22/01/76/502220176.db2.gz YEGSSKMFJIAOJQ-IBGZPJMESA-N 0 3 352.434 3.367 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000461958947 502253498 /nfs/dbraw/zinc/25/34/98/502253498.db2.gz NKULWMUXBJJQAI-AABGKKOBSA-N 0 3 354.498 3.232 20 30 FGEDHN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000483095695 502269283 /nfs/dbraw/zinc/26/92/83/502269283.db2.gz BQDDDHIFEBUBMD-KRWDZBQOSA-N 0 3 351.454 3.193 20 30 FGEDHN N#CC(C(=O)c1cccc(Nc2cnccn2)c1)c1cnc2ccccc2n1 ZINC000483200764 502313162 /nfs/dbraw/zinc/31/31/62/502313162.db2.gz LZJYINYQUZVLAN-MRXNPFEDSA-N 0 3 366.384 3.075 20 30 FGEDHN Cc1cc(NC(=O)CCCC#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000462249736 502367135 /nfs/dbraw/zinc/36/71/35/502367135.db2.gz WBBIOAIURMVXQT-GOSISDBHSA-N 0 3 351.454 3.271 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000469515061 502448632 /nfs/dbraw/zinc/44/86/32/502448632.db2.gz GKKNFWCHNZSZRV-OAQYLSRUSA-N 0 3 358.445 3.320 20 30 FGEDHN C[C@@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cccc(C#N)c1 ZINC000462539416 502479990 /nfs/dbraw/zinc/47/99/90/502479990.db2.gz OFASGVPADUYDSV-CZAAIQMYSA-N 0 3 362.477 3.208 20 30 FGEDHN CC(C)N1CC[C@H](NCc2cc(C#N)n(C)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000480270230 502520335 /nfs/dbraw/zinc/52/03/35/502520335.db2.gz YLEZUUZIUACENG-PMACEKPBSA-N 0 3 358.436 3.489 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000462725885 502550733 /nfs/dbraw/zinc/55/07/33/502550733.db2.gz OOYVQACLKCDAQR-LJQANCHMSA-N 0 3 366.461 3.021 20 30 FGEDHN CCC(C#N)(CC)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000599095420 506321220 /nfs/dbraw/zinc/32/12/20/506321220.db2.gz UFJCPFIHJIRVKF-UHFFFAOYSA-N 0 3 370.541 3.031 20 30 FGEDHN CN(C)CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000476820178 502593365 /nfs/dbraw/zinc/59/33/65/502593365.db2.gz BXIYUMHNGNBEJV-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CC(C)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C ZINC000488031775 502604867 /nfs/dbraw/zinc/60/48/67/502604867.db2.gz FHDZJNDTOIBREQ-KRWDZBQOSA-N 0 3 374.554 3.099 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCC[C@@H](O)C1 ZINC000488220104 502662640 /nfs/dbraw/zinc/66/26/40/502662640.db2.gz UFECEBUESPHREL-IAGOWNOFSA-N 0 3 364.559 3.136 20 30 FGEDHN N#Cc1ccc(CN(CCN2CCCOCC2)Cc2cccc(F)c2)cc1 ZINC000463088966 502690076 /nfs/dbraw/zinc/69/00/76/502690076.db2.gz UZTJANLXQYFDMD-UHFFFAOYSA-N 0 3 367.468 3.422 20 30 FGEDHN N#Cc1cccc(OCCCN2CCN(CCc3cccs3)CC2)c1 ZINC000477142713 502690544 /nfs/dbraw/zinc/69/05/44/502690544.db2.gz NWIQCDSDHMFSOK-UHFFFAOYSA-N 0 3 355.507 3.249 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC(C)(C)C2)cc1 ZINC000481003267 502725287 /nfs/dbraw/zinc/72/52/87/502725287.db2.gz CYSOFDIVOLHNKD-ZFWWWQNUSA-N 0 3 363.483 3.463 20 30 FGEDHN CCSCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000467029874 502764242 /nfs/dbraw/zinc/76/42/42/502764242.db2.gz BMFDVLMULUABOR-INIZCTEOSA-N 0 3 362.543 3.163 20 30 FGEDHN C=CCOc1ccc(CNCc2ccc(C[S@](C)=O)cc2)cc1OC ZINC000513041783 502836860 /nfs/dbraw/zinc/83/68/60/502836860.db2.gz SAQNCUVKTRKDNV-VWLOTQADSA-N 0 3 359.491 3.428 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488923447 502839261 /nfs/dbraw/zinc/83/92/61/502839261.db2.gz YQSYVQUGUPDEGL-YQVWRLOYSA-N 0 3 357.498 3.123 20 30 FGEDHN Cc1cc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000489004366 502858088 /nfs/dbraw/zinc/85/80/88/502858088.db2.gz CCUXOJAPKWLALE-UYAOXDASSA-N 0 3 355.388 3.207 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(Br)cn1C)C(C)C ZINC000495999408 502869188 /nfs/dbraw/zinc/86/91/88/502869188.db2.gz JHECSSLNJBXXJH-MRXNPFEDSA-N 0 3 368.319 3.216 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cc(C#N)ccn1 ZINC000500985075 502905883 /nfs/dbraw/zinc/90/58/83/502905883.db2.gz WPXALEPQRSPUOB-HXUWFJFHSA-N 0 3 362.477 3.156 20 30 FGEDHN COC1CCN(C2(CNC(=O)c3cccc(C#N)c3C)CCCC2)CC1 ZINC000509533240 502929096 /nfs/dbraw/zinc/92/90/96/502929096.db2.gz PNJKKTARAOKTRL-UHFFFAOYSA-N 0 3 355.482 3.020 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000513416001 502932123 /nfs/dbraw/zinc/93/21/23/502932123.db2.gz LVSBPYVKXBNLPS-BEFAXECRSA-N 0 3 351.450 3.382 20 30 FGEDHN C=CCCCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000489489816 502971420 /nfs/dbraw/zinc/97/14/20/502971420.db2.gz MSLHSYPUNXQOEL-IEBWSBKVSA-N 0 3 350.528 3.267 20 30 FGEDHN CN(C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)Cc1ccccc1 ZINC000506035258 503033486 /nfs/dbraw/zinc/03/34/86/503033486.db2.gz OCMBLPQSOLJIJX-HXUWFJFHSA-N 0 3 367.468 3.264 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000497818394 503047834 /nfs/dbraw/zinc/04/78/34/503047834.db2.gz USIHKXLEWYITCS-UWJYYQICSA-N 0 3 362.477 3.268 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC(F)(C#N)CC2)[C@@H]1c1cccs1 ZINC000498028680 503090387 /nfs/dbraw/zinc/09/03/87/503090387.db2.gz RZOLEZMAULLVDG-GDBMZVCRSA-N 0 3 364.490 3.168 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000514245561 503124106 /nfs/dbraw/zinc/12/41/06/503124106.db2.gz ZMCOPOLHGZPLNG-QGZVFWFLSA-N 0 3 365.477 3.352 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502162173 503153545 /nfs/dbraw/zinc/15/35/45/503153545.db2.gz CGUBCOLPZNCUOC-QZTJIDSGSA-N 0 3 366.509 3.477 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2c(C)nn(C)c2nc1C)C(C)C ZINC000498360712 503167657 /nfs/dbraw/zinc/16/76/57/503167657.db2.gz SNPHXEJVRHFYGS-LJQANCHMSA-N 0 3 369.513 3.014 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510874770 503208569 /nfs/dbraw/zinc/20/85/69/503208569.db2.gz POSXQIVBTHMIPW-ZFWWWQNUSA-N 0 3 353.388 3.400 20 30 FGEDHN COc1cc(CN(CCO)CC2CC2)ccc1OCc1cccc(C#N)c1 ZINC000510934598 503221237 /nfs/dbraw/zinc/22/12/37/503221237.db2.gz GWLMKKZPYWXBAH-UHFFFAOYSA-N 0 3 366.461 3.350 20 30 FGEDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000502563422 503226544 /nfs/dbraw/zinc/22/65/44/503226544.db2.gz NZZOFHCLASFFIV-HQWNSDKXSA-N 0 3 371.472 3.446 20 30 FGEDHN CC(C)N1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cc3C#N)c2)CC1 ZINC000502802107 503275910 /nfs/dbraw/zinc/27/59/10/503275910.db2.gz HTKWRENCPFDZMI-UHFFFAOYSA-N 0 3 366.425 3.135 20 30 FGEDHN CCOc1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000515188155 503287601 /nfs/dbraw/zinc/28/76/01/503287601.db2.gz SNUWXTCOVYLQIW-KRWDZBQOSA-N 0 3 374.868 3.334 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2nc3c(cc2C#N)CCC3)cc1 ZINC000511393310 503313484 /nfs/dbraw/zinc/31/34/84/503313484.db2.gz BPNGGKAEZNRHFG-UHFFFAOYSA-N 0 3 350.466 3.037 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000515431505 503336852 /nfs/dbraw/zinc/33/68/52/503336852.db2.gz HCVCBYVCURKYAR-XLIONFOSSA-N 0 3 365.477 3.350 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000515431506 503337346 /nfs/dbraw/zinc/33/73/46/503337346.db2.gz HCVCBYVCURKYAR-YLJYHZDGSA-N 0 3 365.477 3.350 20 30 FGEDHN CNC(=O)[C@H](CN[C@@H](C)c1cccc(C#N)c1)Cc1ccc(F)cc1C ZINC000515647806 503379396 /nfs/dbraw/zinc/37/93/96/503379396.db2.gz CRJGBMGGSMTKMX-KXBFYZLASA-N 0 3 353.441 3.261 20 30 FGEDHN COc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1OC ZINC000582692744 506368387 /nfs/dbraw/zinc/36/83/87/506368387.db2.gz GAYKNADQOZNGLL-UHFFFAOYSA-N 0 3 367.493 3.448 20 30 FGEDHN CCC(CC)Nc1ccncc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000515712256 503389684 /nfs/dbraw/zinc/38/96/84/503389684.db2.gz SMLZXFDARKDYQY-CQSZACIVSA-N 0 3 352.438 3.382 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)OCCO2)C(C)C ZINC000503407412 503402840 /nfs/dbraw/zinc/40/28/40/503402840.db2.gz DKJQLRUYGKNXBD-KRWDZBQOSA-N 0 3 359.470 3.278 20 30 FGEDHN C=CCN1CC[C@H](NCC2(c3ccc(OC)c(OC)c3)CCCCC2)C1=O ZINC000493692981 503440146 /nfs/dbraw/zinc/44/01/46/503440146.db2.gz VVQFZBCCLNYMQE-SFHVURJKSA-N 0 3 372.509 3.282 20 30 FGEDHN C=CCN(CCc1ccccc1)Cc1ccccc1OCC(=O)N(C)C ZINC000512039239 503440516 /nfs/dbraw/zinc/44/05/16/503440516.db2.gz MHWNYPBQLJLLRO-UHFFFAOYSA-N 0 3 352.478 3.384 20 30 FGEDHN C=CCN1CC[C@H](N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1=O ZINC000499605353 503440856 /nfs/dbraw/zinc/44/08/56/503440856.db2.gz YVISHBXNYQUHAH-SFTDATJTSA-N 0 3 368.452 3.495 20 30 FGEDHN Cc1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC000593066492 506371629 /nfs/dbraw/zinc/37/16/29/506371629.db2.gz FIIVYDZLMLNCAK-XZOQPEGZSA-N 0 3 361.489 3.342 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)C1 ZINC000512103666 503457906 /nfs/dbraw/zinc/45/79/06/503457906.db2.gz FEINMYITIWMQIZ-DYESRHJHSA-N 0 3 365.452 3.312 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CSC[C@H]2C)ccc1Cl ZINC000512147958 503469978 /nfs/dbraw/zinc/46/99/78/503469978.db2.gz MNIKFQJRZGPLMX-CZUORRHYSA-N 0 3 351.903 3.236 20 30 FGEDHN CN1C(=O)C[C@@H](NCCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000494224381 503506636 /nfs/dbraw/zinc/50/66/36/503506636.db2.gz SMWSUVQBHYOTII-UYAOXDASSA-N 0 3 369.852 3.152 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@]2(C)CCO[C@@H]2C)c1C#N ZINC000494234421 503509399 /nfs/dbraw/zinc/50/93/99/503509399.db2.gz PIPPIRVDKWXSKS-IIBYNOLFSA-N 0 3 366.465 3.061 20 30 FGEDHN COc1cc2c(cc1F)CC[C@@H]2NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000512340797 503524263 /nfs/dbraw/zinc/52/42/63/503524263.db2.gz CSBPXZNUTRWXGD-APWZRJJASA-N 0 3 363.392 3.192 20 30 FGEDHN C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(C#N)cc1F ZINC000512654850 503605052 /nfs/dbraw/zinc/60/50/52/503605052.db2.gz PGEBSAFTVPMKEG-BPXKWBHBSA-N 0 3 367.468 3.231 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC2(C3CCC3)CC2)c1C#N ZINC000593081029 506382079 /nfs/dbraw/zinc/38/20/79/506382079.db2.gz PWFJVPDHILWJGZ-UHFFFAOYSA-N 0 3 366.465 3.479 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000494818906 503615891 /nfs/dbraw/zinc/61/58/91/503615891.db2.gz FMOFXYMMJDHWQS-UHFFFAOYSA-N 0 3 363.436 3.360 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccccc3Cl)CC2)cc1 ZINC000516922738 503619909 /nfs/dbraw/zinc/61/99/09/503619909.db2.gz PJPRTRHBKRTAFX-UHFFFAOYSA-N 0 3 374.893 3.307 20 30 FGEDHN COc1cccc(CN(CCN(C)C)Cc2ccc(OC)c(C#N)c2)c1 ZINC000517202923 503671771 /nfs/dbraw/zinc/67/17/71/503671771.db2.gz DUORQSQCZOSUEH-UHFFFAOYSA-N 0 3 353.466 3.139 20 30 FGEDHN N#Cc1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)cnc1C(F)(F)F ZINC000529719898 503681102 /nfs/dbraw/zinc/68/11/02/503681102.db2.gz YJRUEFQECXYKTP-OAHLLOKOSA-N 0 3 366.387 3.109 20 30 FGEDHN N#Cc1ccc(CNc2ccccc2CN2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000532987223 503690506 /nfs/dbraw/zinc/69/05/06/503690506.db2.gz DKHOZLKMIMFSRM-GOSISDBHSA-N 0 3 366.440 3.007 20 30 FGEDHN CN(C)CCOc1cc(-c2noc(/C=C\c3ccc(C#N)cc3)n2)ccn1 ZINC000546491393 503765736 /nfs/dbraw/zinc/76/57/36/503765736.db2.gz CVHKQWBHMNHICV-FPLPWBNLSA-N 0 3 361.405 3.114 20 30 FGEDHN C=CCC[C@H](NCC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540430186 503769374 /nfs/dbraw/zinc/76/93/74/503769374.db2.gz NDVOTINQKBGYEC-KRWDZBQOSA-N 0 3 369.431 3.076 20 30 FGEDHN CN1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC000533277172 503788650 /nfs/dbraw/zinc/78/86/50/503788650.db2.gz XWAUFGBCWHCDMM-UHFFFAOYSA-N 0 3 368.868 3.492 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000527463212 503797398 /nfs/dbraw/zinc/79/73/98/503797398.db2.gz FYPWBMOJDYBJNS-UXHICEINSA-N 0 3 359.429 3.168 20 30 FGEDHN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000543508225 503797763 /nfs/dbraw/zinc/79/77/63/503797763.db2.gz PORJJWPKPDBHPD-KBPBESRZSA-N 0 3 361.511 3.232 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@H]3COCC[C@@H]32)sc2c1CCCC2 ZINC000533346148 503813423 /nfs/dbraw/zinc/81/34/23/503813423.db2.gz MTLDLTPENQOMFK-YOEHRIQHSA-N 0 3 373.522 3.328 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000533368266 503819579 /nfs/dbraw/zinc/81/95/79/503819579.db2.gz ZOVNGSLPDCHDNK-NRFANRHFSA-N 0 3 351.425 3.445 20 30 FGEDHN Cc1ccccc1[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000540591271 503827246 /nfs/dbraw/zinc/82/72/46/503827246.db2.gz UZWWRVODBPUYKF-HXUWFJFHSA-N 0 3 354.475 3.381 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000533545934 503882823 /nfs/dbraw/zinc/88/28/23/503882823.db2.gz LSLAZABCMWVECC-UFYCRDLUSA-N 0 3 369.509 3.297 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CC#N)CC1 ZINC000543778368 503889416 /nfs/dbraw/zinc/88/94/16/503889416.db2.gz DNAZWXSENBBWOT-YLJYHZDGSA-N 0 3 354.498 3.232 20 30 FGEDHN COc1cccc2c1CC[C@H]2N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000540953350 503952654 /nfs/dbraw/zinc/95/26/54/503952654.db2.gz FLNXAJRHWMVSHO-UXHICEINSA-N 0 3 361.445 3.339 20 30 FGEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1OC ZINC000527808433 503953594 /nfs/dbraw/zinc/95/35/94/503953594.db2.gz ADSCWMKBWDUJAV-UHFFFAOYSA-N 0 3 352.434 3.371 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000537615181 503975084 /nfs/dbraw/zinc/97/50/84/503975084.db2.gz WERVLJSZYPFQIS-ROUUACIJSA-N 0 3 359.477 3.301 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000541111589 504011706 /nfs/dbraw/zinc/01/17/06/504011706.db2.gz IHWXNXJGUVBPFS-KGVVXCLESA-N 0 3 373.518 3.243 20 30 FGEDHN N#Cc1csc(CNC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000530640339 504036051 /nfs/dbraw/zinc/03/60/51/504036051.db2.gz UJSFMTWTVNLSRM-GOSISDBHSA-N 0 3 361.898 3.436 20 30 FGEDHN N#Cc1cccc(NCCCOC2CCN(Cc3ccccc3)CC2)n1 ZINC000530665200 504044614 /nfs/dbraw/zinc/04/46/14/504044614.db2.gz OAMGNWLQWXUKSA-UHFFFAOYSA-N 0 3 350.466 3.436 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1Cc2c1cccc2Cl ZINC000528032936 504047291 /nfs/dbraw/zinc/04/72/91/504047291.db2.gz OGWJFQRVKWDTCI-IBGZPJMESA-N 0 3 367.880 3.442 20 30 FGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)N(CC)CC ZINC000547310037 504055399 /nfs/dbraw/zinc/05/53/99/504055399.db2.gz HOXSKHMSVIUUEB-CABCVRRESA-N 0 3 357.376 3.386 20 30 FGEDHN CC[C@@H](CNCc1cnc2c(C#N)cnn2c1)Oc1cccc(Cl)c1 ZINC000518771219 504059209 /nfs/dbraw/zinc/05/92/09/504059209.db2.gz LUJLSXRBIIPQHM-INIZCTEOSA-N 0 3 355.829 3.202 20 30 FGEDHN CCC(C#N)(CC)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000528176218 504105553 /nfs/dbraw/zinc/10/55/53/504105553.db2.gz CTSXKFDKGBMWAK-UHFFFAOYSA-N 0 3 354.498 3.487 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC)OCC ZINC000534423409 504138926 /nfs/dbraw/zinc/13/89/26/504138926.db2.gz YYMRDEGXNCAJBP-VQTJNVASSA-N 0 3 359.514 3.266 20 30 FGEDHN N#Cc1ccc(CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C2CC2)cc1 ZINC000541489327 504147735 /nfs/dbraw/zinc/14/77/35/504147735.db2.gz WAGWSRPUICWQAD-OAQYLSRUSA-N 0 3 374.488 3.356 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000538257496 504178835 /nfs/dbraw/zinc/17/88/35/504178835.db2.gz DWWZBEKUCTZZNA-IEBWSBKVSA-N 0 3 365.477 3.429 20 30 FGEDHN N#Cc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)ccc1Cl ZINC000541592931 504191503 /nfs/dbraw/zinc/19/15/03/504191503.db2.gz INIXNQIHXKWAMD-UHFFFAOYSA-N 0 3 354.841 3.253 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(OC2CCCCC2)CC1 ZINC000528369423 504191849 /nfs/dbraw/zinc/19/18/49/504191849.db2.gz ZKNWMNDRGTYXEL-SFHVURJKSA-N 0 3 358.482 3.112 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n(C2CCN(C)CC2)n1 ZINC000541622171 504203350 /nfs/dbraw/zinc/20/33/50/504203350.db2.gz NGNAIZAZKQVEFU-UHFFFAOYSA-N 0 3 357.845 3.236 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Br)cc1Cl)c1ccncn1 ZINC000544694109 504221544 /nfs/dbraw/zinc/22/15/44/504221544.db2.gz CQPLQVAFWNPHOY-SECBINFHSA-N 0 3 351.591 3.138 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000528511194 504254443 /nfs/dbraw/zinc/25/44/43/504254443.db2.gz DRYFBGBXROPYBP-IEBWSBKVSA-N 0 3 372.852 3.105 20 30 FGEDHN CC(C)c1ccccc1OC[C@H](O)CNCCOc1ccc(C#N)cc1 ZINC000519596465 504266882 /nfs/dbraw/zinc/26/68/82/504266882.db2.gz MDVJPCPBHOLYDU-GOSISDBHSA-N 0 3 354.450 3.090 20 30 FGEDHN CCC(C#N)(CC)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000528614115 504295929 /nfs/dbraw/zinc/29/59/29/504295929.db2.gz YXKVFTZXBNUUFR-UHFFFAOYSA-N 0 3 361.461 3.115 20 30 FGEDHN C=CCOc1c(Br)cc(CNC2(CO)CCCC2)cc1OC ZINC000538603501 504300179 /nfs/dbraw/zinc/30/01/79/504300179.db2.gz AFEBNNMFVXZZAE-UHFFFAOYSA-N 0 3 370.287 3.417 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CN1C1CC1 ZINC000531482919 504324099 /nfs/dbraw/zinc/32/40/99/504324099.db2.gz VZBCWUDBLBOQSS-RHSMWYFYSA-N 0 3 362.433 3.101 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000519758326 504329892 /nfs/dbraw/zinc/32/98/92/504329892.db2.gz FELVJGUBXDTDGM-GHTZIAJQSA-N 0 3 354.425 3.299 20 30 FGEDHN C=CCN(Cc1ccc2c(c1)CCO2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732900 504349207 /nfs/dbraw/zinc/34/92/07/504349207.db2.gz ALEBZHFHJZNSHS-INIZCTEOSA-N 0 3 361.449 3.346 20 30 FGEDHN CCCN(CCN1CCCCCC1)C(=O)COc1ccc(C#N)cc1OC ZINC000519840546 504359298 /nfs/dbraw/zinc/35/92/98/504359298.db2.gz ARXMCOFDXKRGFJ-UHFFFAOYSA-N 0 3 373.497 3.060 20 30 FGEDHN C[C@H]1[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000538955098 504428677 /nfs/dbraw/zinc/42/86/77/504428677.db2.gz ZEMHIGLFIRWUCB-GJZGRUSLSA-N 0 3 374.554 3.242 20 30 FGEDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000539082855 504466873 /nfs/dbraw/zinc/46/68/73/504466873.db2.gz BHJMLJNOXNEQKS-AWEZNQCLSA-N 0 3 353.422 3.255 20 30 FGEDHN C[C@](C#N)(NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21)C1CC1 ZINC000548603606 504492252 /nfs/dbraw/zinc/49/22/52/504492252.db2.gz ZCAHJBDAZSKPKD-GPQLQYNLSA-N 0 3 351.494 3.453 20 30 FGEDHN CCC[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000542628563 504558289 /nfs/dbraw/zinc/55/82/89/504558289.db2.gz USRRQSREDUVPKJ-ROUUACIJSA-N 0 3 374.554 3.112 20 30 FGEDHN N#CCC1(CNC[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000520799123 504585005 /nfs/dbraw/zinc/58/50/05/504585005.db2.gz FSPYLLARPNGZRI-LBPRGKRZSA-N 0 3 373.678 3.126 20 30 FGEDHN CC1CC(C#N)(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000532321551 504610864 /nfs/dbraw/zinc/61/08/64/504610864.db2.gz UOAZHNKZTANOPH-CMVHYPBASA-N 0 3 353.466 3.031 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC(CC#N)CC1 ZINC000542882049 504645820 /nfs/dbraw/zinc/64/58/20/504645820.db2.gz PIOHUODZQCVLJX-UHFFFAOYSA-N 0 3 365.481 3.443 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc2nnc(C(C)(C)C)n2c1 ZINC000545979687 504663315 /nfs/dbraw/zinc/66/33/15/504663315.db2.gz RQYDQRZLAWJDSO-CQSZACIVSA-N 0 3 372.432 3.404 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000545979687 504663321 /nfs/dbraw/zinc/66/33/21/504663321.db2.gz RQYDQRZLAWJDSO-CQSZACIVSA-N 0 3 372.432 3.404 20 30 FGEDHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934848 504664541 /nfs/dbraw/zinc/66/45/41/504664541.db2.gz YTLUSBSGCQJHOS-GJZGRUSLSA-N 0 3 364.449 3.110 20 30 FGEDHN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934845 504665061 /nfs/dbraw/zinc/66/50/61/504665061.db2.gz YTLUSBSGCQJHOS-CABCVRRESA-N 0 3 364.449 3.110 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC1(C#N)CC1 ZINC000521251379 504693431 /nfs/dbraw/zinc/69/34/31/504693431.db2.gz JLSFCWLMEIIJHE-UHFFFAOYSA-N 0 3 368.403 3.082 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000521357584 504717295 /nfs/dbraw/zinc/71/72/95/504717295.db2.gz VGQQXYCCQAQOMN-QGZVFWFLSA-N 0 3 367.449 3.334 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000549250560 504773569 /nfs/dbraw/zinc/77/35/69/504773569.db2.gz YZWXJZRZHJEFBK-IBGZPJMESA-N 0 3 364.497 3.169 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1)OCC ZINC000565085480 504789995 /nfs/dbraw/zinc/78/99/95/504789995.db2.gz BJVXJHPKFHRETK-AEFFLSMTSA-N 0 3 352.906 3.473 20 30 FGEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2nnc(-c3ccccn3)[n-]2)CC1 ZINC000556173596 504810402 /nfs/dbraw/zinc/81/04/02/504810402.db2.gz SNRJULZNJQDSOO-UHFFFAOYSA-N 0 3 358.449 3.360 20 30 FGEDHN CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000553054505 504815267 /nfs/dbraw/zinc/81/52/67/504815267.db2.gz JVLIVFBOOIHZFA-TZIWHRDSSA-N 0 3 367.449 3.019 20 30 FGEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000556200323 504817828 /nfs/dbraw/zinc/81/78/28/504817828.db2.gz BNKPASURNZPAON-KXBFYZLASA-N 0 3 357.479 3.420 20 30 FGEDHN Cc1cc(CNC[C@@H](c2cccs2)N2CCN(C)CC2)ccc1C#N ZINC000562467986 504829883 /nfs/dbraw/zinc/82/98/83/504829883.db2.gz YLKZCMYFLMUALU-IBGZPJMESA-N 0 3 354.523 3.007 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000549558569 504850012 /nfs/dbraw/zinc/85/00/12/504850012.db2.gz IKTMPYPIBZRVBZ-LBPRGKRZSA-N 0 3 368.403 3.212 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000559793506 504929107 /nfs/dbraw/zinc/92/91/07/504929107.db2.gz BJNFUYGCWLECEN-SJLPKXTDSA-N 0 3 358.482 3.334 20 30 FGEDHN N#Cc1ccccc1OCC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000565623134 504939610 /nfs/dbraw/zinc/93/96/10/504939610.db2.gz YQRBZDALLYLBHJ-UHFFFAOYSA-N 0 3 355.482 3.194 20 30 FGEDHN COc1ccccc1SC[C@@H](C)CNCc1cnc2c(C#N)cnn2c1 ZINC000556769143 504969136 /nfs/dbraw/zinc/96/91/36/504969136.db2.gz AVDUMBWRWDQRBZ-AWEZNQCLSA-N 0 3 367.478 3.128 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000553669673 504978218 /nfs/dbraw/zinc/97/82/18/504978218.db2.gz ZFJLSVOCMAGMOB-SFHVURJKSA-N 0 3 365.562 3.110 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)s1 ZINC000562931831 504991048 /nfs/dbraw/zinc/99/10/48/504991048.db2.gz URFNQVJSMPTTAP-GOSISDBHSA-N 0 3 354.479 3.256 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]2CN(C)C[C@H]21 ZINC000566139004 505094408 /nfs/dbraw/zinc/09/44/08/505094408.db2.gz YARMOEQPXYYDDA-SOLBZPMBSA-N 0 3 372.538 3.045 20 30 FGEDHN N#CCc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000566147271 505097038 /nfs/dbraw/zinc/09/70/38/505097038.db2.gz STUGZVDPVFHHOT-OAQYLSRUSA-N 0 3 362.477 3.389 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000557335814 505109550 /nfs/dbraw/zinc/10/95/50/505109550.db2.gz VGOJRLVESHLJQW-HXUWFJFHSA-N 0 3 372.490 3.066 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000554216555 505117689 /nfs/dbraw/zinc/11/76/89/505117689.db2.gz JMCDZDZAMJPQLY-HXUWFJFHSA-N 0 3 371.481 3.163 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H](N1CCOCC1)C(F)(F)F ZINC000560583926 505133952 /nfs/dbraw/zinc/13/39/52/505133952.db2.gz DAPLUVJNUUGSED-ROUUACIJSA-N 0 3 367.415 3.178 20 30 FGEDHN N#Cc1cc(NC[C@@H](c2ccccc2)N2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000557477821 505145302 /nfs/dbraw/zinc/14/53/02/505145302.db2.gz VKGFLUMYXDVAHH-SFHVURJKSA-N 0 3 351.410 3.298 20 30 FGEDHN CN(CCCN(C)C(=O)c1ccc(C(C)(C)C#N)cc1)Cc1ccncc1 ZINC000566346635 505149544 /nfs/dbraw/zinc/14/95/44/505149544.db2.gz YZEHSDNSTVGBIA-UHFFFAOYSA-N 0 3 364.493 3.477 20 30 FGEDHN C[C@]1(CNC(=O)Cc2c(F)cccc2C#N)CCCN1Cc1ccccc1 ZINC000560634626 505150153 /nfs/dbraw/zinc/15/01/53/505150153.db2.gz JVBILVINEQENKC-JOCHJYFZSA-N 0 3 365.452 3.411 20 30 FGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000551096489 505156883 /nfs/dbraw/zinc/15/68/83/505156883.db2.gz GPQHMCVUMFLEGY-QUCCMNQESA-N 0 3 357.404 3.380 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2cnccc2C#N)N(CC)CC)cc1 ZINC000566382589 505158971 /nfs/dbraw/zinc/15/89/71/505158971.db2.gz VAOHQYQKKAWSGR-FQEVSTJZSA-N 0 3 350.466 3.329 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)CC2 ZINC000557535311 505160424 /nfs/dbraw/zinc/16/04/24/505160424.db2.gz BPTWJLQZAKOFJC-FCHUYYIVSA-N 0 3 359.473 3.369 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000563520319 505165432 /nfs/dbraw/zinc/16/54/32/505165432.db2.gz AZDAHCCNJRZLRY-UHFFFAOYSA-N 0 3 366.490 3.105 20 30 FGEDHN N#CC1(CN[C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 ZINC000563591286 505185940 /nfs/dbraw/zinc/18/59/40/505185940.db2.gz OYAKUFQAACOGES-CVEARBPZSA-N 0 3 351.450 3.267 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000566591476 505214786 /nfs/dbraw/zinc/21/47/86/505214786.db2.gz ZOJDDVHFLFROGJ-XHBSWPGZSA-N 0 3 369.494 3.212 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000560958500 505216585 /nfs/dbraw/zinc/21/65/85/505216585.db2.gz PBODUHLFXZRIBC-FQEVSTJZSA-N 0 3 357.498 3.364 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000566634657 505228492 /nfs/dbraw/zinc/22/84/92/505228492.db2.gz RGJWEZBNCCSFLE-UHFFFAOYSA-N 0 3 363.465 3.035 20 30 FGEDHN Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n(C2CCN(C)CC2)n1 ZINC000566665529 505238175 /nfs/dbraw/zinc/23/81/75/505238175.db2.gz JZPIYTTVLBGBLG-RBUKOAKNSA-N 0 3 363.465 3.072 20 30 FGEDHN C=CCc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc(OC)c1OC ZINC000558020506 505287837 /nfs/dbraw/zinc/28/78/37/505287837.db2.gz CDQZCHHPDIILIU-TXPKVOOTSA-N 0 3 372.509 3.235 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000552034406 505376762 /nfs/dbraw/zinc/37/67/62/505376762.db2.gz SUKIWWQFIGTTCL-KDOFPFPSSA-N 0 3 358.825 3.065 20 30 FGEDHN C=CCn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000564379784 505400511 /nfs/dbraw/zinc/40/05/11/505400511.db2.gz PKRTVJBZEPWAPN-SFHVURJKSA-N 0 3 374.492 3.352 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)N(C)C)cc1 ZINC000561676326 505407001 /nfs/dbraw/zinc/40/70/01/505407001.db2.gz QLFVVBCNYFEBJT-HXUWFJFHSA-N 0 3 351.450 3.378 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000567403338 505452768 /nfs/dbraw/zinc/45/27/68/505452768.db2.gz MFBRAUDXPWCUPC-YESZJQIVSA-N 0 3 372.538 3.045 20 30 FGEDHN N#Cc1ccccc1OCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000561907193 505465602 /nfs/dbraw/zinc/46/56/02/505465602.db2.gz QIKRIIJLCMOPRI-FUHWJXTLSA-N 0 3 354.475 3.438 20 30 FGEDHN N#CCCn1cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)c(-c2ccncc2)n1 ZINC000561970471 505481636 /nfs/dbraw/zinc/48/16/36/505481636.db2.gz MXYWKISOHUWZGK-SFHVURJKSA-N 0 3 374.448 3.127 20 30 FGEDHN Cc1c2cc(F)ccc2oc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000552493926 505502572 /nfs/dbraw/zinc/50/25/72/505502572.db2.gz PLWVFSJHTFBZMW-INIZCTEOSA-N 0 3 354.381 3.282 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000558995961 505547988 /nfs/dbraw/zinc/54/79/88/505547988.db2.gz UMCUMLDJMAZFJL-KRWDZBQOSA-N 0 3 359.543 3.283 20 30 FGEDHN CC(C)(C)[C@@H](COc1ccccc1F)NCc1cnc2c(C#N)cnn2c1 ZINC000564988498 505565890 /nfs/dbraw/zinc/56/58/90/505565890.db2.gz AITFSAVBABTFLQ-GOSISDBHSA-N 0 3 367.428 3.323 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000599260593 506388648 /nfs/dbraw/zinc/38/86/48/506388648.db2.gz CDOIWNRNOFTJBO-ZWKOTPCHSA-N 0 3 372.490 3.041 20 30 FGEDHN Cc1ccc([C@@H]2CSCCN2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599294741 506401023 /nfs/dbraw/zinc/40/10/23/506401023.db2.gz NADZWBWANMLZOG-MOPGFXCFSA-N 0 3 360.523 3.156 20 30 FGEDHN C[C@@H]1SCCN(C[C@H](O)CC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000599301340 506403476 /nfs/dbraw/zinc/40/34/76/506403476.db2.gz CYAYEQUPKFRIOB-UHOSZYNNSA-N 0 3 360.523 3.236 20 30 FGEDHN CC(C)Oc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2C#N)cc1 ZINC000599348770 506422819 /nfs/dbraw/zinc/42/28/19/506422819.db2.gz LOMNBOGPRVEIBC-QFBILLFUSA-N 0 3 354.450 3.436 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000599353279 506424769 /nfs/dbraw/zinc/42/47/69/506424769.db2.gz HIQJDBHXVMQFRA-IOMROCGXSA-N 0 3 366.461 3.055 20 30 FGEDHN COc1ccc2oc([C@@H](C)NC[C@@H](O)CC3(C#N)CCOCC3)c(C)c2c1 ZINC000599358380 506427779 /nfs/dbraw/zinc/42/77/79/506427779.db2.gz HQUSYSNFKVWLON-CVEARBPZSA-N 0 3 372.465 3.472 20 30 FGEDHN COc1ccc(CN(C)C[C@@H](O)COc2ccccc2C#N)cc1Cl ZINC000599437207 506456515 /nfs/dbraw/zinc/45/65/15/506456515.db2.gz PLZXWROESIXKJH-MRXNPFEDSA-N 0 3 360.841 3.092 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)cc1F ZINC000599468918 506466580 /nfs/dbraw/zinc/46/65/80/506466580.db2.gz AMTIOCKMBCQOHS-AEFFLSMTSA-N 0 3 362.445 3.043 20 30 FGEDHN COCc1cc(C#N)ccc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000603271477 506473600 /nfs/dbraw/zinc/47/36/00/506473600.db2.gz FPSCLBFSNYIUEH-UHFFFAOYSA-N 0 3 360.461 3.289 20 30 FGEDHN C[C@H](NC(=O)NCCc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000596597268 506480972 /nfs/dbraw/zinc/48/09/72/506480972.db2.gz NJBZVAODJKVTMB-JXFKEZNVSA-N 0 3 350.466 3.091 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000599570052 506504053 /nfs/dbraw/zinc/50/40/53/506504053.db2.gz SSMDBEDNUXRNJS-RXVVDRJESA-N 0 3 351.450 3.018 20 30 FGEDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cn2)C[C@@H](C)O1 ZINC000589336539 506521933 /nfs/dbraw/zinc/52/19/33/506521933.db2.gz OUIGEIKSWJFPBV-WHSLLNHNSA-N 0 3 362.477 3.344 20 30 FGEDHN CC(C)C[C@@H](C)N(C)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632241 506540400 /nfs/dbraw/zinc/54/04/00/506540400.db2.gz XLEFBSQEGAZWDS-QGZVFWFLSA-N 0 3 357.498 3.047 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)Nc3ccc(F)cc3)CCOCC2)cc1 ZINC000599633661 506541572 /nfs/dbraw/zinc/54/15/72/506541572.db2.gz BTFQSMGVKXFREL-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN C/C=C/c1ccc(OC[C@H](O)CNCc2ccc(C#N)cc2)c(OC)c1 ZINC000583019860 506543820 /nfs/dbraw/zinc/54/38/20/506543820.db2.gz OROJVULJURTMGD-GNAXCBTBSA-N 0 3 352.434 3.129 20 30 FGEDHN C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000612368932 506548171 /nfs/dbraw/zinc/54/81/71/506548171.db2.gz OVLSPEKIWNPWIX-PGRDOPGGSA-N 0 3 353.510 3.482 20 30 FGEDHN N#CCc1cccc2c1CCN(Cc1ccc(CN3CCOCC3)cc1)C2 ZINC000599677020 506572904 /nfs/dbraw/zinc/57/29/04/506572904.db2.gz DNEDBVZCRGGZLO-UHFFFAOYSA-N 0 3 361.489 3.143 20 30 FGEDHN N#CCc1cccc2c1CCN(CCN1CCc3c(CC#N)cccc3C1)C2 ZINC000599678565 506573964 /nfs/dbraw/zinc/57/39/64/506573964.db2.gz VRLQXBYDYZGJDV-UHFFFAOYSA-N 0 3 370.500 3.235 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCC2(C#N)CCCC2)CCN1Cc1ccccc1 ZINC000593374271 506583394 /nfs/dbraw/zinc/58/33/94/506583394.db2.gz YHYVXLKQGMQCHC-IEBWSBKVSA-N 0 3 354.498 3.423 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)[C@@H]2CCCO2)c1C#N ZINC000612503585 506600377 /nfs/dbraw/zinc/60/03/77/506600377.db2.gz IYZDVSAEUKEHMZ-KSSFIOAISA-N 0 3 358.486 3.187 20 30 FGEDHN CCC(C#N)(CC)C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000599732421 506606778 /nfs/dbraw/zinc/60/67/78/506606778.db2.gz BIBFCCUGPYNFFA-UHFFFAOYSA-N 0 3 357.498 3.150 20 30 FGEDHN Cc1ccccc1CN1CCCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593425757 506613192 /nfs/dbraw/zinc/61/31/92/506613192.db2.gz PCJWLIFIEJSQNJ-UHFFFAOYSA-N 0 3 354.498 3.296 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000603840549 506631128 /nfs/dbraw/zinc/63/11/28/506631128.db2.gz SUTJRLIZOTVKHG-NHCUHLMSSA-N 0 3 368.452 3.339 20 30 FGEDHN C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CCN(C2CCC2)C1 ZINC000589930430 506680807 /nfs/dbraw/zinc/68/08/07/506680807.db2.gz MVRGEJFHMMYEFW-AWEZNQCLSA-N 0 3 360.889 3.227 20 30 FGEDHN Cc1cc(-n2ccnc2)ccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590003962 506704011 /nfs/dbraw/zinc/70/40/11/506704011.db2.gz XOWIVVIWISEQIG-FQEVSTJZSA-N 0 3 359.433 3.101 20 30 FGEDHN C[C@H]1Cc2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)ccc2O1 ZINC000596974635 506705945 /nfs/dbraw/zinc/70/59/45/506705945.db2.gz QBLRFJWOGWDMJY-INIZCTEOSA-N 0 3 363.461 3.086 20 30 FGEDHN CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)C1CCN(C)CC1 ZINC000599985326 506737154 /nfs/dbraw/zinc/73/71/54/506737154.db2.gz CDMWQGALGQMACJ-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN COC(=O)c1coc([C@H](C)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593720495 506746970 /nfs/dbraw/zinc/74/69/70/506746970.db2.gz GEFBGIUTRWKYBH-HNNXBMFYSA-N 0 3 367.449 3.253 20 30 FGEDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000609163046 506799568 /nfs/dbraw/zinc/79/95/68/506799568.db2.gz PAXLQRDADAWLAS-UHFFFAOYSA-N 0 3 362.433 3.487 20 30 FGEDHN N#CC1(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000590362935 506803117 /nfs/dbraw/zinc/80/31/17/506803117.db2.gz FBYUPLICDWJNAJ-LEWJYISDSA-N 0 3 359.473 3.465 20 30 FGEDHN COC(=O)c1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000597221260 506844565 /nfs/dbraw/zinc/84/45/65/506844565.db2.gz FPWNANKRACXKBG-UHFFFAOYSA-N 0 3 367.424 3.243 20 30 FGEDHN N#CCCn1cc(CN2C[C@@H]3CCC[C@]3(CO)C2)c(-c2ccccc2)n1 ZINC000600209009 506847562 /nfs/dbraw/zinc/84/75/62/506847562.db2.gz VUHHAWFOKYKGAQ-PZJWPPBQSA-N 0 3 350.466 3.058 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000590691266 506912340 /nfs/dbraw/zinc/91/23/40/506912340.db2.gz RUZCTORJBIDTIH-QGZVFWFLSA-N 0 3 371.282 3.426 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000613254427 506995123 /nfs/dbraw/zinc/99/51/23/506995123.db2.gz KYSAHKJYZKDQNI-IVMMDQJWSA-N 0 3 351.372 3.483 20 30 FGEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000597605692 507027958 /nfs/dbraw/zinc/02/79/58/507027958.db2.gz ROLBWLNYIBSOTL-KRWDZBQOSA-N 0 3 367.449 3.287 20 30 FGEDHN COC[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000591015699 507078815 /nfs/dbraw/zinc/07/88/15/507078815.db2.gz CPNAOWGXBKZCOF-KGLIPLIRSA-N 0 3 361.511 3.184 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccccc1OC1CCC1 ZINC000600724823 507083189 /nfs/dbraw/zinc/08/31/89/507083189.db2.gz OTWPHBQRCSTEIK-GOSISDBHSA-N 0 3 352.434 3.019 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594410894 507120237 /nfs/dbraw/zinc/12/02/37/507120237.db2.gz FJBNHGNSNVCKLZ-XHSDSOJGSA-N 0 3 354.372 3.375 20 30 FGEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594425505 507126480 /nfs/dbraw/zinc/12/64/80/507126480.db2.gz ADNSDJWGRWUHHC-AWEZNQCLSA-N 0 3 352.276 3.212 20 30 FGEDHN Cc1nc(-c2ccc(CCNC(=O)[C@H](N)CCCCC#N)cc2)cs1 ZINC000594431113 507129482 /nfs/dbraw/zinc/12/94/82/507129482.db2.gz HSKXLUMJLKMARA-QGZVFWFLSA-N 0 3 356.495 3.189 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000594435141 507130867 /nfs/dbraw/zinc/13/08/67/507130867.db2.gz AXFCHWADMZBMKC-LJQANCHMSA-N 0 3 355.482 3.304 20 30 FGEDHN Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H](N)CCCCC#N ZINC000594435433 507130933 /nfs/dbraw/zinc/13/09/33/507130933.db2.gz FAGMYAHTLXZYIC-FQEVSTJZSA-N 0 3 350.466 3.330 20 30 FGEDHN COc1ccccc1[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594434965 507131729 /nfs/dbraw/zinc/13/17/29/507131729.db2.gz XQPYNXZFJAZTQF-ICSRJNTNSA-N 0 3 351.450 3.312 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000594438752 507133266 /nfs/dbraw/zinc/13/32/66/507133266.db2.gz LGRPARHUFXZRSK-FUHWJXTLSA-N 0 3 356.857 3.352 20 30 FGEDHN COc1ccc(Oc2ccc(NC(=O)[C@H](N)CCCCC#N)cn2)cc1 ZINC000594438886 507133680 /nfs/dbraw/zinc/13/36/80/507133680.db2.gz MSYZXONFXYGFJQ-QGZVFWFLSA-N 0 3 354.410 3.232 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000594443859 507135677 /nfs/dbraw/zinc/13/56/77/507135677.db2.gz VZFJQRBQWHNVHQ-JKSUJKDBSA-N 0 3 369.387 3.017 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000594444913 507136307 /nfs/dbraw/zinc/13/63/07/507136307.db2.gz FMVMLKXCQONMSR-RYUDHWBXSA-N 0 3 374.432 3.279 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000594445511 507137702 /nfs/dbraw/zinc/13/77/02/507137702.db2.gz GUMVUQZKPFXNGA-ZDUSSCGKSA-N 0 3 361.243 3.347 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1C ZINC000610209043 507139017 /nfs/dbraw/zinc/13/90/17/507139017.db2.gz QDIVSNTWGMBUMV-JXFKEZNVSA-N 0 3 363.461 3.350 20 30 FGEDHN CC[C@@H](c1nnc(NC(=O)[C@@H](N)CCCCC#N)s1)c1ccccc1 ZINC000594469347 507146209 /nfs/dbraw/zinc/14/62/09/507146209.db2.gz VHJMANGKENRGBZ-CABCVRRESA-N 0 3 357.483 3.430 20 30 FGEDHN N#Cc1cnc2c(F)ccc(F)c2c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000610246519 507157506 /nfs/dbraw/zinc/15/75/06/507157506.db2.gz FFMBDZLIYSRPNN-MRXNPFEDSA-N 0 3 364.399 3.493 20 30 FGEDHN Cc1c(F)cccc1NC(=O)CCN(C)CCOCc1ccc(C#N)cc1 ZINC000584136630 507171182 /nfs/dbraw/zinc/17/11/82/507171182.db2.gz JEZOGMZPWCMLFJ-UHFFFAOYSA-N 0 3 369.440 3.483 20 30 FGEDHN N#Cc1ccc(CN(C(=O)Nc2ccc3c(c2)CNCCO3)C2CC2)cc1 ZINC000591311354 507195007 /nfs/dbraw/zinc/19/50/07/507195007.db2.gz HNCKPEHARSTVDU-UHFFFAOYSA-N 0 3 362.433 3.237 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3ccccc3CC#N)cc2)CC1 ZINC000600996718 507220389 /nfs/dbraw/zinc/22/03/89/507220389.db2.gz GMFUBJGAWDVNFW-UHFFFAOYSA-N 0 3 362.477 3.142 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3cc(C#N)cn3C)sc2c1)C1CC1 ZINC000598028594 507224956 /nfs/dbraw/zinc/22/49/56/507224956.db2.gz OPWLRHIXJVXOMS-UHFFFAOYSA-N 0 3 365.462 3.353 20 30 FGEDHN N#CCc1ccccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000601024651 507232828 /nfs/dbraw/zinc/23/28/28/507232828.db2.gz WPUNVYDPSINTCP-MRXNPFEDSA-N 0 3 353.491 3.456 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433406 507238058 /nfs/dbraw/zinc/23/80/58/507238058.db2.gz IJOKYHZJNVVGJK-YLJYHZDGSA-N 0 3 362.477 3.092 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000610451824 507245440 /nfs/dbraw/zinc/24/54/40/507245440.db2.gz KMQRSQIACWNEJX-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000591483459 507267659 /nfs/dbraw/zinc/26/76/59/507267659.db2.gz XUDHAWWDDLKJOS-QGZVFWFLSA-N 0 3 365.437 3.303 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000598193545 507306524 /nfs/dbraw/zinc/30/65/24/507306524.db2.gz BWVGSWXNDRDUIS-QGZVFWFLSA-N 0 3 351.425 3.086 20 30 FGEDHN N#CC1(c2ccc(CN[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1 ZINC000594930637 507319885 /nfs/dbraw/zinc/31/98/85/507319885.db2.gz YEGLGKSGRUHBJR-YPAWHYETSA-N 0 3 371.484 3.488 20 30 FGEDHN CO[C@H](CNCc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCOC1 ZINC000594952603 507329628 /nfs/dbraw/zinc/32/96/28/507329628.db2.gz PSTSVMUDLIWNRI-RBBKRZOGSA-N 0 3 366.461 3.278 20 30 FGEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000591759680 507350718 /nfs/dbraw/zinc/35/07/18/507350718.db2.gz TVBKRLGTUXTJTD-IIBYNOLFSA-N 0 3 360.461 3.213 20 30 FGEDHN CCOc1cccc([C@@H]2C[C@H]2NC[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000591764595 507352633 /nfs/dbraw/zinc/35/26/33/507352633.db2.gz DPRXBHRGWZSSKS-YUXAGFNASA-N 0 3 366.461 3.037 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000598341427 507384743 /nfs/dbraw/zinc/38/47/43/507384743.db2.gz BHPIOMSVGBHHBK-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@@]1(C#N)CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000598416182 507416631 /nfs/dbraw/zinc/41/66/31/507416631.db2.gz RRJYVSBNOMXIRW-ROUUACIJSA-N 0 3 365.399 3.203 20 30 FGEDHN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@@H](N)CCCCC#N ZINC000595258021 507442527 /nfs/dbraw/zinc/44/25/27/507442527.db2.gz QCGSBPUDTMRTNP-DLBZAZTESA-N 0 3 363.889 3.430 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCCc2ccc(C#N)cc2)cc1 ZINC000595267479 507444522 /nfs/dbraw/zinc/44/45/22/507444522.db2.gz LWDTYSORQWRJEN-FQEVSTJZSA-N 0 3 350.466 3.223 20 30 FGEDHN CC[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)N1 ZINC000598532208 507475681 /nfs/dbraw/zinc/47/56/81/507475681.db2.gz UXVDPBDFLQBVHV-OXJNMPFZSA-N 0 3 363.461 3.350 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000598551700 507481008 /nfs/dbraw/zinc/48/10/08/507481008.db2.gz VBIMAITWMKMMHD-PMACEKPBSA-N 0 3 363.461 3.174 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2csc3ccccc23)cc1 ZINC000584755231 507485995 /nfs/dbraw/zinc/48/59/95/507485995.db2.gz PBIRIBTUBJWOMP-UHFFFAOYSA-N 0 3 370.499 3.379 20 30 FGEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154115 507510523 /nfs/dbraw/zinc/51/05/23/507510523.db2.gz PJCVFHHAIKOIPD-UNMCSNQZSA-N 0 3 370.541 3.026 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H](C(C)C)C2(CO)CC=CC2)c(C#N)c1C ZINC000592176343 507523967 /nfs/dbraw/zinc/52/39/67/507523967.db2.gz QWJZSNQJFIUPRQ-QGZVFWFLSA-N 0 3 361.511 3.118 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000606840905 507527344 /nfs/dbraw/zinc/52/73/44/507527344.db2.gz CVRQMBSSGDSNLW-LBPRGKRZSA-N 0 3 356.388 3.483 20 30 FGEDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595496346 507530441 /nfs/dbraw/zinc/53/04/41/507530441.db2.gz AILGNGYOORGPTA-CQSZACIVSA-N 0 3 367.415 3.262 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C1 ZINC000595536727 507548798 /nfs/dbraw/zinc/54/87/98/507548798.db2.gz ULJLJMVDZDGSOR-DLBZAZTESA-N 0 3 374.554 3.435 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(C#N)nc2ccccc21 ZINC000614533765 507555389 /nfs/dbraw/zinc/55/53/89/507555389.db2.gz YMWYDGYRRBPWIK-HSZRJFAPSA-N 0 3 372.472 3.180 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCC(C)(C)C)cc1 ZINC000592255724 507564006 /nfs/dbraw/zinc/56/40/06/507564006.db2.gz QRPZWVHTVKZYSA-CYBMUJFWSA-N 0 3 351.472 3.272 20 30 FGEDHN CCC[C@H]1CN(c2c(C#N)cnc3c(C)cccc32)CCN1CCOC ZINC000611228084 507570671 /nfs/dbraw/zinc/57/06/71/507570671.db2.gz CWASZHTUZFJQSI-SFHVURJKSA-N 0 3 352.482 3.352 20 30 FGEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611267800 507592251 /nfs/dbraw/zinc/59/22/51/507592251.db2.gz SIUZXNNAFQJWNN-LBPRGKRZSA-N 0 3 369.377 3.468 20 30 FGEDHN COc1ccc([C@H](NCCC(=O)N(C)CCC#N)c2ccccc2)cc1 ZINC000595635028 507606097 /nfs/dbraw/zinc/60/60/97/507606097.db2.gz IRQPEEMZOPKTES-OAQYLSRUSA-N 0 3 351.450 3.136 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Cn3cccn3)c2)CC1 ZINC000592333877 507609430 /nfs/dbraw/zinc/60/94/30/507609430.db2.gz MZYCWTXIXJAPQC-UHFFFAOYSA-N 0 3 353.470 3.093 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2CCC(C)C)CC1 ZINC000592359148 507617085 /nfs/dbraw/zinc/61/70/85/507617085.db2.gz OZQKANAVWYMXKD-UHFFFAOYSA-N 0 3 371.525 3.370 20 30 FGEDHN C=CCOc1ccccc1CNCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592373744 507625716 /nfs/dbraw/zinc/62/57/16/507625716.db2.gz ABQVDUPLCQUACI-UHFFFAOYSA-N 0 3 361.482 3.480 20 30 FGEDHN Cc1ccccc1CN1CCCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000586119860 507650408 /nfs/dbraw/zinc/65/04/08/507650408.db2.gz DJGXWUATNJMPGF-UHFFFAOYSA-N 0 3 365.452 3.283 20 30 FGEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1OCC(=O)NC ZINC000611379904 507650695 /nfs/dbraw/zinc/65/06/95/507650695.db2.gz KNUCYFDELNLXDU-KXBFYZLASA-N 0 3 351.450 3.485 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000586779694 507668272 /nfs/dbraw/zinc/66/82/72/507668272.db2.gz KIJTWQBLIFKPOK-XMMPIXPASA-N 0 3 374.532 3.259 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000586794039 507673770 /nfs/dbraw/zinc/67/37/70/507673770.db2.gz KKDVPBACQVBGRM-UHFFFAOYSA-N 0 3 365.452 3.363 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000592526813 507696445 /nfs/dbraw/zinc/69/64/45/507696445.db2.gz CDFRGVQANBZDHX-CTNGQTDRSA-N 0 3 371.525 3.446 20 30 FGEDHN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C[C@@H](C)CCC#N ZINC000602435471 507711539 /nfs/dbraw/zinc/71/15/39/507711539.db2.gz UDNMSJXBOJQHOW-WMLDXEAASA-N 0 3 360.454 3.106 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(s1)CCNC2 ZINC000595924584 507748636 /nfs/dbraw/zinc/74/86/36/507748636.db2.gz NKKSJDKWPSLLRJ-UHFFFAOYSA-N 0 3 357.435 3.130 20 30 FGEDHN C=CCOc1ccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000607535469 507759861 /nfs/dbraw/zinc/75/98/61/507759861.db2.gz FERDFKYKZUUSPQ-UHFFFAOYSA-N 0 3 350.462 3.080 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)Nc2cccc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000328619925 521614369 /nfs/dbraw/zinc/61/43/69/521614369.db2.gz GLSCDNVGURDPBG-QFBILLFUSA-N 0 3 370.501 3.074 20 30 FGEDHN C=CC[NH+](CC=C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000735418705 598387744 /nfs/dbraw/zinc/38/77/44/598387744.db2.gz HFXXRQWJMLBJJY-OAHLLOKOSA-N 0 3 361.881 3.026 20 30 FGEDHN C=CC[NH+](CC=C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000735418705 598387747 /nfs/dbraw/zinc/38/77/47/598387747.db2.gz HFXXRQWJMLBJJY-OAHLLOKOSA-N 0 3 361.881 3.026 20 30 FGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCOc2ccccc21 ZINC000823914433 608632531 /nfs/dbraw/zinc/63/25/31/608632531.db2.gz IPRZDKJXTBOTQQ-GOSISDBHSA-N 0 3 361.449 3.421 20 30 FGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCOc2ccccc21 ZINC000823914433 608632532 /nfs/dbraw/zinc/63/25/32/608632532.db2.gz IPRZDKJXTBOTQQ-GOSISDBHSA-N 0 3 361.449 3.421 20 30 FGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCOc2ccccc21 ZINC000823914433 608632533 /nfs/dbraw/zinc/63/25/33/608632533.db2.gz IPRZDKJXTBOTQQ-GOSISDBHSA-N 0 3 361.449 3.421 20 30 FGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCOc2ccccc21 ZINC000823914433 608632535 /nfs/dbraw/zinc/63/25/35/608632535.db2.gz IPRZDKJXTBOTQQ-GOSISDBHSA-N 0 3 361.449 3.421 20 30 FGEDHN C=CCC[C@H](CCC)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823894545 609168502 /nfs/dbraw/zinc/16/85/02/609168502.db2.gz SSFMASMZNQSFRL-FUHWJXTLSA-N 0 3 368.485 3.087 20 30 FGEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000051534124 695913311 /nfs/dbraw/zinc/91/33/11/695913311.db2.gz UUGIIPFKPSAPCI-WCQYABFASA-N 0 3 369.475 3.296 20 30 FGEDHN C=C(Br)CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000068589599 695942013 /nfs/dbraw/zinc/94/20/13/695942013.db2.gz HMOFBFVULLKCPP-UHFFFAOYSA-N 0 3 374.710 3.322 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2CCCCO2)cc1Cl ZINC000111945304 700551832 /nfs/dbraw/zinc/55/18/32/700551832.db2.gz PZCHECMUFPLNIV-ZIAGYGMSSA-N 0 3 364.829 3.345 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000113078849 700567507 /nfs/dbraw/zinc/56/75/07/700567507.db2.gz ZJUGHPPUYKTZAX-MRXNPFEDSA-N 0 3 351.277 3.442 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cncc(F)c1 ZINC000151619806 704930648 /nfs/dbraw/zinc/93/06/48/704930648.db2.gz KEURJHGFEZWSTO-ZDUSSCGKSA-N 0 3 352.152 3.489 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cncc(F)c1 ZINC000151619806 704930652 /nfs/dbraw/zinc/93/06/52/704930652.db2.gz KEURJHGFEZWSTO-ZDUSSCGKSA-N 0 3 352.152 3.489 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCc1csc(C)n1 ZINC000175111555 705533127 /nfs/dbraw/zinc/53/31/27/705533127.db2.gz WRCNHRFUWAMUIT-CQSZACIVSA-N 0 3 357.435 3.130 20 30 FGEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626039756 715833837 /nfs/dbraw/zinc/83/38/37/715833837.db2.gz NIRDOMWNUWKIHR-KCQAQPDRSA-N 0 3 351.288 3.318 20 30 FGEDHN O[C@H](CNCC#Cc1cccc(C(F)(F)F)c1)COCc1cccs1 ZINC000644515499 718116313 /nfs/dbraw/zinc/11/63/13/718116313.db2.gz ZCLMLERVFSSSBZ-MRXNPFEDSA-N 0 3 369.408 3.286 20 30 FGEDHN CC(=O)c1cc(C#N)ccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000650079036 718615484 /nfs/dbraw/zinc/61/54/84/718615484.db2.gz JTZYMBMFBNPHBI-JSGCOSHPSA-N 0 3 354.328 3.447 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1COC(C)(C)C1 ZINC000657238383 719603514 /nfs/dbraw/zinc/60/35/14/719603514.db2.gz RWODHNLPQDXENJ-OAHLLOKOSA-N 0 3 350.532 3.152 20 30 FGEDHN N#Cc1ccc2ccnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726009 720369366 /nfs/dbraw/zinc/36/93/66/720369366.db2.gz OIRUKXVFRLFRHT-SFTDATJTSA-N 0 3 355.445 3.355 20 30 FGEDHN N#CC1(c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2)CCC1 ZINC001164722925 720382216 /nfs/dbraw/zinc/38/22/16/720382216.db2.gz DTDDOWKMAKCWMU-PMACEKPBSA-N 0 3 359.477 3.275 20 30 FGEDHN C=CCOc1c(Br)cc(CNC2([C@@H](C)O)CC2)cc1OC ZINC000668696554 721334653 /nfs/dbraw/zinc/33/46/53/721334653.db2.gz RHBTXEYLXUGIHC-LLVKDONJSA-N 0 3 356.260 3.026 20 30 FGEDHN C=CCOCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000679477136 722029157 /nfs/dbraw/zinc/02/91/57/722029157.db2.gz PABDXMDTFFMGHV-INIZCTEOSA-N 0 3 351.516 3.023 20 30 FGEDHN C=CC[C@@H](CO)NCc1cc(Br)cc(C)c1OC(F)F ZINC000680485301 722123382 /nfs/dbraw/zinc/12/33/82/722123382.db2.gz ZIQWXRNFMWXGAC-LBPRGKRZSA-N 0 3 350.203 3.386 20 30 FGEDHN C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc(CN3CCCC3)cn1)CCO2 ZINC001164973759 722169000 /nfs/dbraw/zinc/16/90/00/722169000.db2.gz CUQLDASXTZLPNQ-RBBKRZOGSA-N 0 3 371.525 3.256 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)C(=O)c1cccs1 ZINC000730417841 722468266 /nfs/dbraw/zinc/46/82/66/722468266.db2.gz UFAPOGXHFZHXIR-NSHDSACASA-N 0 3 373.434 3.445 20 30 FGEDHN Cc1nn(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)c(C)c1Cl ZINC000750392800 722765753 /nfs/dbraw/zinc/76/57/53/722765753.db2.gz TUUKDFXNTWAGGF-LLVKDONJSA-N 0 3 365.220 3.154 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753800256 722913724 /nfs/dbraw/zinc/91/37/24/722913724.db2.gz CULKJZKEKFYHQL-SNVBAGLBSA-N 0 3 356.756 3.350 20 30 FGEDHN CCSc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2OC)ccn1 ZINC000755605061 722954847 /nfs/dbraw/zinc/95/48/47/722954847.db2.gz YLRSJOVBLZNOEO-CYBMUJFWSA-N 0 3 355.419 3.163 20 30 FGEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)O1 ZINC000757307600 722975778 /nfs/dbraw/zinc/97/57/78/722975778.db2.gz WROUBYORLNRDOE-JMSVASOKSA-N 0 3 364.829 3.262 20 30 FGEDHN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000760197434 723042618 /nfs/dbraw/zinc/04/26/18/723042618.db2.gz YEFVEPQPJOOXHT-BLLLJJGKSA-N 0 3 360.841 3.317 20 30 FGEDHN COc1ncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000793127316 723402735 /nfs/dbraw/zinc/40/27/35/723402735.db2.gz WBWLVOFQEHKRRI-GFCCVEGCSA-N 0 3 364.188 3.358 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@@H]1CCCOC1 ZINC000796633423 723647671 /nfs/dbraw/zinc/64/76/71/723647671.db2.gz OJTYRWCKRRBJQX-QWHCGFSZSA-N 0 3 364.829 3.121 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000796739739 723652796 /nfs/dbraw/zinc/65/27/96/723652796.db2.gz FFBOUDPJIYRLGN-DDUZABMNSA-N 0 3 362.495 3.403 20 30 FGEDHN CC(C)Oc1ncc(C(=O)C(C#N)C(=O)Nc2ccccc2)cc1Cl ZINC000770100736 723706049 /nfs/dbraw/zinc/70/60/49/723706049.db2.gz TVOPAJOUMZVZJA-CQSZACIVSA-N 0 3 357.797 3.483 20 30 FGEDHN CN(CC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(=O)OC(C)(C)C ZINC000797567023 723835328 /nfs/dbraw/zinc/83/53/28/723835328.db2.gz XHBUKFFYTAUOQG-LLVKDONJSA-N 0 3 351.472 3.484 20 30 FGEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1S(=O)(=O)C(F)F ZINC000797587728 723838519 /nfs/dbraw/zinc/83/85/19/723838519.db2.gz XLGCGGYYALOEKU-NSHDSACASA-N 0 3 358.410 3.036 20 30 FGEDHN N#CC(C(=O)C=CSc1cc(F)ccc1F)C(=O)Nc1ccccn1 ZINC000797942679 723888620 /nfs/dbraw/zinc/88/86/20/723888620.db2.gz VYLSPZHTBCMGNV-VFFGBVLKSA-N 0 3 359.357 3.313 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000776514856 724153753 /nfs/dbraw/zinc/15/37/53/724153753.db2.gz GJODLPZFZBAZPV-GPCCPHFNSA-N 0 3 355.221 3.456 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)CCO1 ZINC000776514528 724153916 /nfs/dbraw/zinc/15/39/16/724153916.db2.gz FBBIDTCRSPYJIA-SUNKGSAMSA-N 0 3 368.405 3.464 20 30 FGEDHN S=C(NN=C1CCC[C@H]2C[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000800806351 724230145 /nfs/dbraw/zinc/23/01/45/724230145.db2.gz DYPUOJJPHNDURR-FUHWJXTLSA-N 0 3 356.539 3.291 20 30 FGEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000786537756 724987574 /nfs/dbraw/zinc/98/75/74/724987574.db2.gz KRGBFCUBUBAKNV-XYPHTWIQSA-N 0 3 362.857 3.260 20 30 FGEDHN C#C[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc(Cl)cc1F ZINC000805364473 725066994 /nfs/dbraw/zinc/06/69/94/725066994.db2.gz MIAZDOJYLDRZPB-MAUKXSAKSA-N 0 3 363.864 3.470 20 30 FGEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1S(=O)(=O)C(F)F ZINC000818357211 727309152 /nfs/dbraw/zinc/30/91/52/727309152.db2.gz WRCLGQQCXVZBRR-GMXVVIOVSA-N 0 3 358.410 3.034 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@H](CC)Cc1ccccc1Br ZINC000818595656 727315653 /nfs/dbraw/zinc/31/56/53/727315653.db2.gz HPQDRPSKZVVQPS-OAHLLOKOSA-N 0 3 365.315 3.089 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C2(C#N)CCSCC2)C1 ZINC000821768271 729114878 /nfs/dbraw/zinc/11/48/78/729114878.db2.gz WZKHRIDVBVHOGS-KRWDZBQOSA-N 0 3 357.523 3.004 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(Cc1ccco1)Cc1ccc(C)s1 ZINC000836489149 729957531 /nfs/dbraw/zinc/95/75/31/729957531.db2.gz WPKSFLRJECSBGO-UHFFFAOYSA-N 0 3 359.495 3.316 20 30 FGEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000841360425 730235211 /nfs/dbraw/zinc/23/52/11/730235211.db2.gz JJIHTHSQONDPTF-MRXNPFEDSA-N 0 3 368.250 3.472 20 30 FGEDHN CN(CCC(=O)Nc1ccc(Cl)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366375 730708042 /nfs/dbraw/zinc/70/80/42/730708042.db2.gz MRCKTIFPSRZSBI-GOSISDBHSA-N 0 3 357.841 3.206 20 30 FGEDHN CCOc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)cc(Cl)c1O ZINC000846008677 730918063 /nfs/dbraw/zinc/91/80/63/730918063.db2.gz WYVVEAGIYXHNDA-KRWDZBQOSA-N 0 3 360.841 3.481 20 30 FGEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000860473810 732519752 /nfs/dbraw/zinc/51/97/52/732519752.db2.gz SBYCPKUEGIIUBG-WFASDCNBSA-N 0 3 352.818 3.201 20 30 FGEDHN Cc1cc(C2(C(=O)C(C#N)c3nc(C(C)C)cs3)CCOCC2)on1 ZINC000860581455 732537488 /nfs/dbraw/zinc/53/74/88/732537488.db2.gz MUQZAROUKUDPHI-CYBMUJFWSA-N 0 3 359.451 3.488 20 30 FGEDHN C=CCN1CCC(NC(=O)/C(C)=C/c2ccc(Br)o2)CC1 ZINC000865193914 733153949 /nfs/dbraw/zinc/15/39/49/733153949.db2.gz PMIBPHVITHNREL-VAWYXSNFSA-N 0 3 353.260 3.212 20 30 FGEDHN C[C@@H]1CCn2cc(C(=O)C(C#N)C(=O)Nc3ccccc3Cl)nc2C1 ZINC000870138008 733815531 /nfs/dbraw/zinc/81/55/31/733815531.db2.gz ABYHWSHTKSYNDF-VXGBXAGGSA-N 0 3 356.813 3.080 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000876581869 736116650 /nfs/dbraw/zinc/11/66/50/736116650.db2.gz GCQMPXYSMOCHNV-CQSZACIVSA-N 0 3 370.280 3.375 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000876695624 736132820 /nfs/dbraw/zinc/13/28/20/736132820.db2.gz CUNCKOYYIGWMQV-ZANVPECISA-N 0 3 363.658 3.105 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000877005937 736173883 /nfs/dbraw/zinc/17/38/83/736173883.db2.gz CNKNFLNZDHDCBK-WMLDXEAASA-N 0 3 356.388 3.125 20 30 FGEDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000879651075 737023685 /nfs/dbraw/zinc/02/36/85/737023685.db2.gz GSNGEZFCGPDPFR-NWDGAFQWSA-N 0 3 355.463 3.492 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](c3nccs3)C1)CCC2 ZINC000880318629 737153639 /nfs/dbraw/zinc/15/36/39/737153639.db2.gz IZLDKDABUBPTHA-LBPRGKRZSA-N 0 3 372.519 3.383 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cc(F)c(Cl)cc1Cl ZINC000884055652 737629395 /nfs/dbraw/zinc/62/93/95/737629395.db2.gz VKQPGCXMEPOESH-MMZRQWAXSA-N 0 3 370.255 3.449 20 30 FGEDHN C[C@@H]1C[C@@H]1[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(Cl)cc1 ZINC000884157352 737639078 /nfs/dbraw/zinc/63/90/78/737639078.db2.gz YKZRJNHSHWZPJH-QBHMSDICSA-N 0 3 357.885 3.293 20 30 FGEDHN C#CCN(C(=O)/C=C/c1csc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000886573817 739270915 /nfs/dbraw/zinc/27/09/15/739270915.db2.gz XRWCOORDPLSKJF-SNAWJCMRSA-N 0 3 356.413 3.336 20 30 FGEDHN C#CCC1(NCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCOCC1 ZINC000887127346 739331918 /nfs/dbraw/zinc/33/19/18/739331918.db2.gz NKTBOADTDLNQJW-UHFFFAOYSA-N 0 3 372.799 3.042 20 30 FGEDHN COC1CCN(C2(CNc3cc(C#N)sc3[N+](=O)[O-])CCCC2)CC1 ZINC000892413311 739998082 /nfs/dbraw/zinc/99/80/82/739998082.db2.gz GRKKZCNXIDJJSL-UHFFFAOYSA-N 0 3 364.471 3.363 20 30 FGEDHN CC(C)(C)OC(=O)CCN(Cc1csc(C#N)c1)C1CCOCC1 ZINC000895074235 742372068 /nfs/dbraw/zinc/37/20/68/742372068.db2.gz MBMPZNKCGIWTGC-UHFFFAOYSA-N 0 3 350.484 3.333 20 30 FGEDHN C#C[C@H](NCc1ccc(C(=O)OC)cc1C(F)(F)F)C1CCOCC1 ZINC000895332180 742398520 /nfs/dbraw/zinc/39/85/20/742398520.db2.gz HELBSOIQUKGZEQ-INIZCTEOSA-N 0 3 355.356 3.010 20 30 FGEDHN C[C@H](NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C#N)ccn1 ZINC000902782694 743775094 /nfs/dbraw/zinc/77/50/94/743775094.db2.gz MUCVIALYHLTQPQ-ZBEGNZNMSA-N 0 3 351.328 3.236 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000921124562 758652037 /nfs/dbraw/zinc/65/20/37/758652037.db2.gz BQFADMLNOMBUHV-OAHLLOKOSA-N 0 3 354.292 3.060 20 30 FGEDHN N#CC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(F)(F)F ZINC000932929143 761278356 /nfs/dbraw/zinc/27/83/56/761278356.db2.gz ZHPZMHQXJYZILW-YPMHNXCESA-N 0 3 360.405 3.029 20 30 FGEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)C[C@@H]1C[C@H]1C1CC1)C2 ZINC000964433515 762790875 /nfs/dbraw/zinc/79/08/75/762790875.db2.gz QBLZFYOXICCNAU-XZZVAGQJSA-N 0 3 367.331 3.348 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001008847559 765711384 /nfs/dbraw/zinc/71/13/84/765711384.db2.gz UEGOTKIJYSHEEN-FHWLQOOXSA-N 0 3 362.539 3.243 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001019498606 765859634 /nfs/dbraw/zinc/85/96/34/765859634.db2.gz JHPVEPXXKIBNGC-NOLJZWGESA-N 0 3 354.903 3.073 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2ccccc2Cl)C1 ZINC001029845904 766155400 /nfs/dbraw/zinc/15/54/00/766155400.db2.gz SFOMZGARQFDCEF-SUMDDJOVSA-N 0 3 362.901 3.211 20 30 FGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1 ZINC001040442699 766306096 /nfs/dbraw/zinc/30/60/96/766306096.db2.gz FAMIKHNQIRXXBM-OPYAIIAOSA-N 0 3 356.535 3.498 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001045938731 766576749 /nfs/dbraw/zinc/57/67/49/766576749.db2.gz KDUMLFGFCZYMHQ-KDXYGYJDSA-N 0 3 366.933 3.425 20 30 FGEDHN Cc1nc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)ccc1C#N ZINC000072007052 221395114 /nfs/dbraw/zinc/39/51/14/221395114.db2.gz LIICYHHAUFUXNG-OAQYLSRUSA-N 0 3 362.477 3.465 20 30 FGEDHN Cc1cccc(Oc2ccccc2CNC[C@@H](O)CN(C)CCC#N)c1 ZINC000576816241 505601694 /nfs/dbraw/zinc/60/16/94/505601694.db2.gz STXSUIFJTRQDNV-LJQANCHMSA-N 0 3 353.466 3.083 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000568061209 505606041 /nfs/dbraw/zinc/60/60/41/505606041.db2.gz OBIPZHKJYBYFAB-SWDXFRIISA-N 0 3 353.466 3.069 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000080901510 493788670 /nfs/dbraw/zinc/78/86/70/493788670.db2.gz WCKIGHFEJABSQY-UTKZUKDTSA-N 0 3 357.498 3.100 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081125173 493837887 /nfs/dbraw/zinc/83/78/87/493837887.db2.gz YROPZSHBEZBXMA-PXNSSMCTSA-N 0 3 363.461 3.058 20 30 FGEDHN CCSc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000068670678 493854505 /nfs/dbraw/zinc/85/45/05/493854505.db2.gz WRKHESSVYCZZSE-UHFFFAOYSA-N 0 3 368.506 3.269 20 30 FGEDHN CC(C)(CNC(=O)NCc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000048982429 493855538 /nfs/dbraw/zinc/85/55/38/493855538.db2.gz BPUUVWACPHCYBZ-UHFFFAOYSA-N 0 3 362.477 3.194 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)N(C)C)cc1 ZINC000029754586 493855905 /nfs/dbraw/zinc/85/59/05/493855905.db2.gz SJWGQVXJWZMHAK-OXQOHEQNSA-N 0 3 365.477 3.307 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1 ZINC000081289858 493860808 /nfs/dbraw/zinc/86/08/08/493860808.db2.gz YAQRBFIBMAOPTG-IBGZPJMESA-N 0 3 357.523 3.172 20 30 FGEDHN COc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000068991507 493903720 /nfs/dbraw/zinc/90/37/20/493903720.db2.gz GGOYMCKPPLSTMD-MRXNPFEDSA-N 0 3 355.413 3.170 20 30 FGEDHN CCN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000081709262 493944147 /nfs/dbraw/zinc/94/41/47/493944147.db2.gz HJGVLWNIPQZRMY-QFBILLFUSA-N 0 3 350.466 3.194 20 30 FGEDHN N#Cc1nnc2ccccc2c1NCCCN1CCN(c2ccccc2)CC1 ZINC000077189228 494029174 /nfs/dbraw/zinc/02/91/74/494029174.db2.gz VELXWQGIZHVELE-UHFFFAOYSA-N 0 3 372.476 3.126 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000063404105 494051417 /nfs/dbraw/zinc/05/14/17/494051417.db2.gz LFMRGJZEXSQARA-SFHVURJKSA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000063403388 494051567 /nfs/dbraw/zinc/05/15/67/494051567.db2.gz UBSQDAOJPHYYNG-MSOLQXFVSA-N 0 3 354.498 3.376 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077499223 494097562 /nfs/dbraw/zinc/09/75/62/494097562.db2.gz XJNKIUUXBAJMGG-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000085389055 494119631 /nfs/dbraw/zinc/11/96/31/494119631.db2.gz DROVVZOCWWAMAT-PBHICJAKSA-N 0 3 367.415 3.039 20 30 FGEDHN Cc1csc(C(C#N)C(=O)c2ccc(CNC(=O)NC(C)C)cc2)n1 ZINC000041518722 494166734 /nfs/dbraw/zinc/16/67/34/494166734.db2.gz VFYZUMQMBXCLBI-OAHLLOKOSA-N 0 3 356.451 3.149 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000041855931 494183906 /nfs/dbraw/zinc/18/39/06/494183906.db2.gz NVAITCWVQKEOMT-QGZVFWFLSA-N 0 3 363.889 3.093 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000087318065 494193247 /nfs/dbraw/zinc/19/32/47/494193247.db2.gz OXOALPULLYEEQK-UHFFFAOYSA-N 0 3 359.214 3.108 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000571319818 505705620 /nfs/dbraw/zinc/70/56/20/505705620.db2.gz AGNGHALNZQHXAK-NRFANRHFSA-N 0 3 362.477 3.216 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000065469674 494201672 /nfs/dbraw/zinc/20/16/72/494201672.db2.gz QANMXCZIHVIHPX-FQEVSTJZSA-N 0 3 350.466 3.311 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000042127663 494204095 /nfs/dbraw/zinc/20/40/95/494204095.db2.gz OIPMFNDPSUBMHC-UHFFFAOYSA-N 0 3 363.461 3.026 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000072751516 494244390 /nfs/dbraw/zinc/24/43/90/494244390.db2.gz MAVCYNKVHKVLQV-HKUYNNGSSA-N 0 3 372.490 3.041 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(s1)CCC2 ZINC000065930987 494256994 /nfs/dbraw/zinc/25/69/94/494256994.db2.gz SVJYPJNHAQZYGB-UHFFFAOYSA-N 0 3 353.491 3.312 20 30 FGEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1C ZINC000065930973 494257093 /nfs/dbraw/zinc/25/70/93/494257093.db2.gz KRXODUVMNLZHMJ-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C#N)cc1 ZINC000065984436 494266018 /nfs/dbraw/zinc/26/60/18/494266018.db2.gz KSBNURSFVAUEEQ-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)c(C)n1)c1cccc(OC)c1 ZINC000078429693 494295919 /nfs/dbraw/zinc/29/59/19/494295919.db2.gz OVQAINMRUPKDGF-HXUWFJFHSA-N 0 3 366.465 3.083 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)C(C)C ZINC000089707146 494347659 /nfs/dbraw/zinc/34/76/59/494347659.db2.gz YZOHYNCTCBZIOF-HZPDHXFCSA-N 0 3 363.527 3.423 20 30 FGEDHN COc1ccc(CN(Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C2CC2)cc1 ZINC000577373847 505715763 /nfs/dbraw/zinc/71/57/63/505715763.db2.gz VCKYKBTVSWMTNL-HNNXBMFYSA-N 0 3 361.449 3.410 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CCN2CCCC2)c1C#N ZINC000089898957 494395560 /nfs/dbraw/zinc/39/55/60/494395560.db2.gz SWPXDHGMUALODD-UHFFFAOYSA-N 0 3 371.529 3.058 20 30 FGEDHN Cc1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000045346151 494418227 /nfs/dbraw/zinc/41/82/27/494418227.db2.gz RXCHUOUHZWTESL-UHFFFAOYSA-N 0 3 368.456 3.279 20 30 FGEDHN C[C@H]1CCCN(CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000045432962 494428287 /nfs/dbraw/zinc/42/82/87/494428287.db2.gz TZHMYYAIIHLBQD-HNNXBMFYSA-N 0 3 367.415 3.088 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812986 494465765 /nfs/dbraw/zinc/46/57/65/494465765.db2.gz DQPPKZODMMRRRM-HZPDHXFCSA-N 0 3 357.498 3.499 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2OCC(F)F)CC1 ZINC000091191542 494552832 /nfs/dbraw/zinc/55/28/32/494552832.db2.gz NNGPRAUQCUSTHQ-UHFFFAOYSA-N 0 3 357.376 3.242 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(C)=O)cc2Cl)CC1 ZINC000067577049 494572699 /nfs/dbraw/zinc/57/26/99/494572699.db2.gz YDCFKKQBBVOZRG-UHFFFAOYSA-N 0 3 364.877 3.460 20 30 FGEDHN CN(CCCNC(=O)N(C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000046889148 494578258 /nfs/dbraw/zinc/57/82/58/494578258.db2.gz TUHXLLLUDALOAN-UHFFFAOYSA-N 0 3 350.466 3.222 20 30 FGEDHN C=CCOc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1 ZINC000056891137 494585102 /nfs/dbraw/zinc/58/51/02/494585102.db2.gz LELPMGXJHPUQRB-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000024099490 494607042 /nfs/dbraw/zinc/60/70/42/494607042.db2.gz DOANMJGCCFTNPN-SJLPKXTDSA-N 0 3 354.450 3.160 20 30 FGEDHN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCCC1 ZINC000067716030 494623040 /nfs/dbraw/zinc/62/30/40/494623040.db2.gz GGCQJHOJENSSCA-UHFFFAOYSA-N 0 3 351.454 3.337 20 30 FGEDHN C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(CC)CC1 ZINC000571450577 505735608 /nfs/dbraw/zinc/73/56/08/505735608.db2.gz RVHOHAYURYQTKF-MRXNPFEDSA-N 0 3 373.476 3.275 20 30 FGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc3ccccc3n2C)n1 ZINC000067897329 494685335 /nfs/dbraw/zinc/68/53/35/494685335.db2.gz QYWUNHLJXJDODY-GFCCVEGCSA-N 0 3 353.403 3.302 20 30 FGEDHN C[C@@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000580350633 505738645 /nfs/dbraw/zinc/73/86/45/505738645.db2.gz ANAORUGJCRVXDS-VGSWGCGISA-N 0 3 366.484 3.337 20 30 FGEDHN CN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080664313 494760176 /nfs/dbraw/zinc/76/01/76/494760176.db2.gz UGEIXFVJXXWUFK-OAQYLSRUSA-N 0 3 362.477 3.364 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000075435014 494761494 /nfs/dbraw/zinc/76/14/94/494761494.db2.gz UVDLXGCLEYNGEV-UHFFFAOYSA-N 0 3 366.440 3.115 20 30 FGEDHN Cc1ccc(I)cc1C(=O)C(C#N)c1ccccn1 ZINC000121507377 494784806 /nfs/dbraw/zinc/78/48/06/494784806.db2.gz MSWHUKBSIRBGTJ-ZDUSSCGKSA-N 0 3 362.170 3.485 20 30 FGEDHN C=CCC[C@@H](O)CN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000132099446 494819736 /nfs/dbraw/zinc/81/97/36/494819736.db2.gz NBVJKZDMGVIODG-QGZVFWFLSA-N 0 3 350.528 3.392 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000121727630 494846675 /nfs/dbraw/zinc/84/66/75/494846675.db2.gz LCWPMFNHUDBISU-UHFFFAOYSA-N 0 3 372.469 3.309 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)COc2ccccc2C#N)cc1Cl ZINC000116816293 494856618 /nfs/dbraw/zinc/85/66/18/494856618.db2.gz KKZQIMBZZRLHNF-UHFFFAOYSA-N 0 3 373.840 3.170 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)N(C)C)cc1 ZINC000027596247 494875412 /nfs/dbraw/zinc/87/54/12/494875412.db2.gz HRNXGDLMHQRXJG-HRAATJIYSA-N 0 3 365.477 3.307 20 30 FGEDHN CN(Cc1cccc(OCCCC#N)c1)CC(C)(C)CN1CCOCC1 ZINC000093769595 494918921 /nfs/dbraw/zinc/91/89/21/494918921.db2.gz HFQKICAMQUNVCU-UHFFFAOYSA-N 0 3 359.514 3.159 20 30 FGEDHN C=C(C)COc1cc(CN2CC[C@H](Cc3cnn(C)c3)C2)ccc1OC ZINC000093870638 494929634 /nfs/dbraw/zinc/92/96/34/494929634.db2.gz DOVWRAISKTWHPZ-GOSISDBHSA-N 0 3 355.482 3.448 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000122159501 494933223 /nfs/dbraw/zinc/93/32/23/494933223.db2.gz YXCHWAPEDHSFQM-LBPRGKRZSA-N 0 3 374.322 3.399 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(NC(=O)N(C)C)c1)C(C)C ZINC000122442883 494975966 /nfs/dbraw/zinc/97/59/66/494975966.db2.gz OKYDSNNTLVXMOT-LJQANCHMSA-N 0 3 372.513 3.209 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)NC[C@H](C)CN2CCN(CC)CC2)c1 ZINC000118817052 495041472 /nfs/dbraw/zinc/04/14/72/495041472.db2.gz HNYLKDSOVSHNHB-SFHVURJKSA-N 0 3 374.529 3.037 20 30 FGEDHN N#Cc1ccccc1N1CCCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111201622 495048359 /nfs/dbraw/zinc/04/83/59/495048359.db2.gz OBRRVMLAOAATGE-UHFFFAOYSA-N 0 3 358.445 3.112 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2cccnc2)on1)C(C)C ZINC000101684490 495091223 /nfs/dbraw/zinc/09/12/23/495091223.db2.gz BQGCFTLTPKRWCW-SFHVURJKSA-N 0 3 354.454 3.165 20 30 FGEDHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000123327384 495115162 /nfs/dbraw/zinc/11/51/62/495115162.db2.gz RGIWVLUGKLLYOX-PMACEKPBSA-N 0 3 352.482 3.301 20 30 FGEDHN CCN(CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CC1 ZINC000102066407 495119113 /nfs/dbraw/zinc/11/91/13/495119113.db2.gz SYAPVKBELUNYEA-UHFFFAOYSA-N 0 3 370.375 3.105 20 30 FGEDHN COc1cc(F)c(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000580454109 505763248 /nfs/dbraw/zinc/76/32/48/505763248.db2.gz SJCWYBMDSNOQHG-UHFFFAOYSA-N 0 3 371.456 3.278 20 30 FGEDHN CCCN(CCN(C)C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000123729016 495176884 /nfs/dbraw/zinc/17/68/84/495176884.db2.gz HNEJQZZDBPQCLT-UHFFFAOYSA-N 0 3 355.438 3.144 20 30 FGEDHN COC(=O)C(C)(C)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000119553265 495189160 /nfs/dbraw/zinc/18/91/60/495189160.db2.gz LLCRBNJMEFRVEE-UHFFFAOYSA-N 0 3 352.434 3.426 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)COc2ccccc2C#N)CC1 ZINC000129052532 495189222 /nfs/dbraw/zinc/18/92/22/495189222.db2.gz MJCMPXIJYDDJFP-UHFFFAOYSA-N 0 3 363.461 3.060 20 30 FGEDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1C#N ZINC000134962081 495231345 /nfs/dbraw/zinc/23/13/45/495231345.db2.gz WDWRESNHOXKTJX-UHFFFAOYSA-N 0 3 351.450 3.035 20 30 FGEDHN C=C[C@H](CC(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1)c1ccccc1 ZINC000124619484 495317869 /nfs/dbraw/zinc/31/78/69/495317869.db2.gz RQZQSBSJGNDPJO-YLJYHZDGSA-N 0 3 368.477 3.286 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000113590187 495318684 /nfs/dbraw/zinc/31/86/84/495318684.db2.gz SGKDOYILRUDEBX-MRXNPFEDSA-N 0 3 350.466 3.487 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000120230187 495332148 /nfs/dbraw/zinc/33/21/48/495332148.db2.gz HAVALONUTVCLRR-INIZCTEOSA-N 0 3 360.458 3.167 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000120337236 495355362 /nfs/dbraw/zinc/35/53/62/495355362.db2.gz NQDLFKYDDCYTNG-WIYYLYMNSA-N 0 3 371.525 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(Br)s2)CC1 ZINC000114331221 495363297 /nfs/dbraw/zinc/36/32/97/495363297.db2.gz ZNLWDAOZCDSHQZ-UHFFFAOYSA-N 0 3 357.317 3.210 20 30 FGEDHN C[C@H](NCc1ccc(C#N)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000105462872 495365131 /nfs/dbraw/zinc/36/51/31/495365131.db2.gz LDBXZERIYXRQPE-INIZCTEOSA-N 0 3 352.457 3.300 20 30 FGEDHN COC[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000136638304 495391567 /nfs/dbraw/zinc/39/15/67/495391567.db2.gz YRIUQXPUFABYKO-BLLLJJGKSA-N 0 3 361.511 3.230 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2cncn2)cc1)c1nc(-c2ccncc2)cs1 ZINC000114620589 495399464 /nfs/dbraw/zinc/39/94/64/495399464.db2.gz MQLIRJIAEDNFMT-INIZCTEOSA-N 0 3 372.413 3.276 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114642645 495403004 /nfs/dbraw/zinc/40/30/04/495403004.db2.gz ABFOTVXCRQCMHB-PXNSSMCTSA-N 0 3 363.461 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)CC1 ZINC000106036562 495406277 /nfs/dbraw/zinc/40/62/77/495406277.db2.gz WBQZZDRKGJIIBN-BEFAXECRSA-N 0 3 355.482 3.051 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(OC(C)C)c(Cl)c2)CC1 ZINC000106035049 495406397 /nfs/dbraw/zinc/40/63/97/495406397.db2.gz GRVCZNHJDOGANI-UHFFFAOYSA-N 0 3 351.878 3.293 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000106039913 495406826 /nfs/dbraw/zinc/40/68/26/495406826.db2.gz ZJBDVZMOUGIECZ-UHFFFAOYSA-N 0 3 356.388 3.241 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120589274 495411455 /nfs/dbraw/zinc/41/14/55/495411455.db2.gz RZFVXPBBXFTUID-INIZCTEOSA-N 0 3 352.482 3.331 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)CC1 ZINC000120592371 495412640 /nfs/dbraw/zinc/41/26/40/495412640.db2.gz BTTKKPFFMLCLTM-QAPCUYQASA-N 0 3 363.527 3.260 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCO[C@H](C)c2ccccc2)CC1 ZINC000106257174 495439624 /nfs/dbraw/zinc/43/96/24/495439624.db2.gz JSUPNLAXMWPWFD-GOSISDBHSA-N 0 3 359.514 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCCOc2ccc(C)cc2)CC1 ZINC000106261047 495440671 /nfs/dbraw/zinc/44/06/71/495440671.db2.gz ZYFMADGPEKHOCF-UHFFFAOYSA-N 0 3 359.514 3.494 20 30 FGEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3ccc(Cl)cc3)C2)nc1 ZINC000568824918 505785284 /nfs/dbraw/zinc/78/52/84/505785284.db2.gz BFIBDBHGDWIDPZ-QGZVFWFLSA-N 0 3 370.840 3.089 20 30 FGEDHN CCNC(=O)C(C)(C)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000121028029 495507212 /nfs/dbraw/zinc/50/72/12/495507212.db2.gz MITRXKVJSMKNID-UHFFFAOYSA-N 0 3 365.477 3.389 20 30 FGEDHN C=CCOc1cccc(NC(=O)N(CCN(C)C)Cc2ccccn2)c1 ZINC000107376791 495526493 /nfs/dbraw/zinc/52/64/93/495526493.db2.gz WOAJZQOOZKIPTH-UHFFFAOYSA-N 0 3 354.454 3.242 20 30 FGEDHN Cc1ccc(NC(=O)NCc2cc(C#N)ccc2F)c(OCCN(C)C)c1 ZINC000173476028 495548463 /nfs/dbraw/zinc/54/84/63/495548463.db2.gz LBWVGIDSRZPCDD-UHFFFAOYSA-N 0 3 370.428 3.268 20 30 FGEDHN COc1cc(CN[C@H]2C[C@@H](O)C2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000577765990 505788753 /nfs/dbraw/zinc/78/87/53/505788753.db2.gz QXOFCVHEAOYDHK-LEWJYISDSA-N 0 3 366.461 3.395 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](N3CCCC3)C2)ccc1Cl ZINC000170744225 495586935 /nfs/dbraw/zinc/58/69/35/495586935.db2.gz DKOZOLFPVWFNJI-GOSISDBHSA-N 0 3 374.916 3.065 20 30 FGEDHN CCN(CC)C(=O)CCC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000182547123 495608025 /nfs/dbraw/zinc/60/80/25/495608025.db2.gz CNTNTOLULYPHGI-UHFFFAOYSA-N 0 3 357.498 3.427 20 30 FGEDHN CC(C)Oc1ccc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000179531267 495630649 /nfs/dbraw/zinc/63/06/49/495630649.db2.gz MUBKAWXDZMKBLM-APWZRJJASA-N 0 3 354.450 3.436 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1-c1nc(C)no1)C(C)C ZINC000173715325 495660567 /nfs/dbraw/zinc/66/05/67/495660567.db2.gz DSMIDXUDHFWIGB-IBGZPJMESA-N 0 3 368.481 3.473 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185764080 495716605 /nfs/dbraw/zinc/71/66/05/495716605.db2.gz CUCBFLOCLQWUTE-RYRKJORJSA-N 0 3 363.527 3.450 20 30 FGEDHN C[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccc(C#N)cc1 ZINC000179761270 495723508 /nfs/dbraw/zinc/72/35/08/495723508.db2.gz FXMBPEXHYLARED-INIZCTEOSA-N 0 3 362.477 3.429 20 30 FGEDHN C[C@@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccc(C#N)cc1 ZINC000179761280 495723641 /nfs/dbraw/zinc/72/36/41/495723641.db2.gz FXMBPEXHYLARED-MRXNPFEDSA-N 0 3 362.477 3.429 20 30 FGEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCC1 ZINC000182943204 495767851 /nfs/dbraw/zinc/76/78/51/495767851.db2.gz ALCMFGPBEDDWGA-HNNXBMFYSA-N 0 3 351.454 3.241 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000151273385 495790084 /nfs/dbraw/zinc/79/00/84/495790084.db2.gz MGGRYPDZUWSERE-HXUWFJFHSA-N 0 3 372.513 3.220 20 30 FGEDHN C[C@H](NCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000174028824 495794599 /nfs/dbraw/zinc/79/45/99/495794599.db2.gz RYMNQPABULJBMZ-ZDUSSCGKSA-N 0 3 372.266 3.401 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000171484269 495897421 /nfs/dbraw/zinc/89/74/21/495897421.db2.gz KZUGOAOKASWWQK-LJQANCHMSA-N 0 3 366.440 3.161 20 30 FGEDHN CCc1nc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)sc1C ZINC000174329025 495912270 /nfs/dbraw/zinc/91/22/70/495912270.db2.gz WENNDZGSZJAINX-UHFFFAOYSA-N 0 3 371.510 3.481 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000171607358 495946212 /nfs/dbraw/zinc/94/62/12/495946212.db2.gz XQTBZEFSXBHRDP-UHFFFAOYSA-N 0 3 352.482 3.276 20 30 FGEDHN C=C[C@@H](CC(=O)NCc1ccccc1CN1CC[C@H](O)C1)c1ccccc1 ZINC000183412417 495971853 /nfs/dbraw/zinc/97/18/53/495971853.db2.gz LYZKEHHOLWPRLU-AVRDEDQJSA-N 0 3 364.489 3.229 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000171712243 496001346 /nfs/dbraw/zinc/00/13/46/496001346.db2.gz PVFCMXXNQIWXCG-ZDUSSCGKSA-N 0 3 353.413 3.299 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000171716251 496003182 /nfs/dbraw/zinc/00/31/82/496003182.db2.gz ZHWDECLNWLPONM-SJORKVTESA-N 0 3 363.299 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000171725274 496008428 /nfs/dbraw/zinc/00/84/28/496008428.db2.gz SMCABMJBOIBVAB-QUCCMNQESA-N 0 3 357.498 3.104 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000171726459 496009535 /nfs/dbraw/zinc/00/95/35/496009535.db2.gz RQGFGQVZVUVBAY-UHFFFAOYSA-N 0 3 352.862 3.128 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000171733959 496012035 /nfs/dbraw/zinc/01/20/35/496012035.db2.gz INRBOVSAPFNFAB-FQEVSTJZSA-N 0 3 350.466 3.121 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000171738464 496015329 /nfs/dbraw/zinc/01/53/29/496015329.db2.gz SHLXMYSYHQIKBY-HXUWFJFHSA-N 0 3 357.498 3.028 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000171740609 496015929 /nfs/dbraw/zinc/01/59/29/496015929.db2.gz MCUOBVZJUOQEDT-GOSISDBHSA-N 0 3 363.889 3.073 20 30 FGEDHN C[C@H]1CN(C)c2ccccc2CN1CCC(=O)Nc1sccc1C#N ZINC000177394272 496045469 /nfs/dbraw/zinc/04/54/69/496045469.db2.gz CQHNCHNIXBYHPC-AWEZNQCLSA-N 0 3 354.479 3.289 20 30 FGEDHN CC[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000180624742 496073470 /nfs/dbraw/zinc/07/34/70/496073470.db2.gz NGBFBDBMFILRDZ-HNNXBMFYSA-N 0 3 371.462 3.460 20 30 FGEDHN CSc1ccccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000171944998 496103607 /nfs/dbraw/zinc/10/36/07/496103607.db2.gz HFHKFJLNQIVAPC-UHFFFAOYSA-N 0 3 353.491 3.484 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000183811332 496123445 /nfs/dbraw/zinc/12/34/45/496123445.db2.gz FOZUYUNXCIITCZ-QGZVFWFLSA-N 0 3 373.378 3.468 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)CCN1C ZINC000174873734 496143430 /nfs/dbraw/zinc/14/34/30/496143430.db2.gz JNFZZXVNJLJKMM-SJORKVTESA-N 0 3 352.482 3.152 20 30 FGEDHN CN(CC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000156107232 496159311 /nfs/dbraw/zinc/15/93/11/496159311.db2.gz USAJYGVQUOQWMM-IBGZPJMESA-N 0 3 373.497 3.171 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCOc1cccc(C#N)c1 ZINC000177780377 496192930 /nfs/dbraw/zinc/19/29/30/496192930.db2.gz USKGXDNFMXPUIF-MOPGFXCFSA-N 0 3 355.482 3.193 20 30 FGEDHN CN(C)Cc1cccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000156247785 496197296 /nfs/dbraw/zinc/19/72/96/496197296.db2.gz YDQAVJOGUYYUMH-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000181021127 496244524 /nfs/dbraw/zinc/24/45/24/496244524.db2.gz PWGIIYHKEGNSNH-FQEVSTJZSA-N 0 3 356.445 3.303 20 30 FGEDHN C=C(C)COCCNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000177903344 496245642 /nfs/dbraw/zinc/24/56/42/496245642.db2.gz HDWYXPZQOXQHBJ-UHFFFAOYSA-N 0 3 350.260 3.317 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)CNc1cccc(C#N)c1)c1ccsc1 ZINC000152825383 496267317 /nfs/dbraw/zinc/26/73/17/496267317.db2.gz GJMQDHQJTGATSV-SFHVURJKSA-N 0 3 356.495 3.231 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)CC1 ZINC000172384291 496276433 /nfs/dbraw/zinc/27/64/33/496276433.db2.gz VBEYSJXQMANZAV-SJLPKXTDSA-N 0 3 357.498 3.233 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CNc1cccc(C#N)c1 ZINC000162107385 496297210 /nfs/dbraw/zinc/29/72/10/496297210.db2.gz AQWUCANAXKGRGS-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN O[C@@H](CNCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000574684663 505831253 /nfs/dbraw/zinc/83/12/53/505831253.db2.gz QNBFTUHJEUEDAD-GOSISDBHSA-N 0 3 351.343 3.389 20 30 FGEDHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000162122753 496299491 /nfs/dbraw/zinc/29/94/91/496299491.db2.gz YIIFGIONIWFAST-FIKGOQFSSA-N 0 3 362.477 3.439 20 30 FGEDHN C=C(C)CN1CCC(N[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000153004328 496322707 /nfs/dbraw/zinc/32/27/07/496322707.db2.gz WJYWCIPRYRJYJX-OAHLLOKOSA-N 0 3 357.477 3.406 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(C2CC2)CC1 ZINC000172539970 496333122 /nfs/dbraw/zinc/33/31/22/496333122.db2.gz WCSGVYNSUFTYSB-MRXNPFEDSA-N 0 3 372.538 3.047 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000578003633 505839458 /nfs/dbraw/zinc/83/94/58/505839458.db2.gz NZWHJIPDBICPHY-RDTXWAMCSA-N 0 3 354.479 3.082 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000172804326 496438851 /nfs/dbraw/zinc/43/88/51/496438851.db2.gz YXLHJAWAMXPVQB-INIZCTEOSA-N 0 3 353.441 3.391 20 30 FGEDHN CN1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C2(CCCCC2)C1 ZINC000178403681 496442762 /nfs/dbraw/zinc/44/27/62/496442762.db2.gz WDQRNBVGEVUXMO-UHFFFAOYSA-N 0 3 351.454 3.059 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cccc4c3OCC[C@H]4O)CC2)cc1 ZINC000184574240 496446288 /nfs/dbraw/zinc/44/62/88/496446288.db2.gz LMQYCARFUBSNMJ-OAQYLSRUSA-N 0 3 363.461 3.451 20 30 FGEDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000181570513 496451398 /nfs/dbraw/zinc/45/13/98/496451398.db2.gz UQHQWNSSKWJCJZ-MAUKXSAKSA-N 0 3 369.421 3.289 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000184652958 496481023 /nfs/dbraw/zinc/48/10/23/496481023.db2.gz RSIMJUHAXVGIJA-GOSISDBHSA-N 0 3 363.889 3.073 20 30 FGEDHN C=CC[C@H](C(=O)NCc1ccccc1CN1CC[C@H](O)C1)c1ccccc1 ZINC000187584525 496498914 /nfs/dbraw/zinc/49/89/14/496498914.db2.gz KDOUMDNRMLQBAN-VXKWHMMOSA-N 0 3 364.489 3.229 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](CC)Oc2ccccc2Cl)CC1 ZINC000175742223 496524811 /nfs/dbraw/zinc/52/48/11/496524811.db2.gz NXWVTGRMOXXKLV-INIZCTEOSA-N 0 3 365.905 3.447 20 30 FGEDHN C=CCC[C@@H](NCC(=O)Nc1nc(CC(=O)OC)cs1)c1ccccc1 ZINC000157709039 496535037 /nfs/dbraw/zinc/53/50/37/496535037.db2.gz BKKIKBJGCGANKZ-MRXNPFEDSA-N 0 3 373.478 3.094 20 30 FGEDHN C[C@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000181788345 496545049 /nfs/dbraw/zinc/54/50/49/496545049.db2.gz MJJZZRDGPQRPLQ-YVEFUNNKSA-N 0 3 358.825 3.367 20 30 FGEDHN CC1(C(=O)Nc2ccn(CCC#N)n2)CCN(Cc2ccccc2)CC1 ZINC000163806486 496560771 /nfs/dbraw/zinc/56/07/71/496560771.db2.gz JXLCUXSQKJGACW-UHFFFAOYSA-N 0 3 351.454 3.038 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2csc([C@H](C)OCC)n2)CC1 ZINC000173199361 496590307 /nfs/dbraw/zinc/59/03/07/496590307.db2.gz IKTAFGSKEYJPCC-AWEZNQCLSA-N 0 3 366.531 3.032 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000164233040 496596928 /nfs/dbraw/zinc/59/69/28/496596928.db2.gz SERZONAROOPIHX-UHFFFAOYSA-N 0 3 362.477 3.041 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(-c3ccccc3)nc2C)CC1 ZINC000164415823 496611074 /nfs/dbraw/zinc/61/10/74/496611074.db2.gz NIFOKZVLMPMAOJ-UHFFFAOYSA-N 0 3 350.466 3.222 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000173274933 496622576 /nfs/dbraw/zinc/62/25/76/496622576.db2.gz ITQZFFLXMUMDLY-UHFFFAOYSA-N 0 3 369.490 3.120 20 30 FGEDHN N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000173301404 496632938 /nfs/dbraw/zinc/63/29/38/496632938.db2.gz UHKMUIAYKHPQLB-QGZVFWFLSA-N 0 3 372.538 3.191 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000188055415 496665185 /nfs/dbraw/zinc/66/51/85/496665185.db2.gz GZSMJJJUKYLCLJ-APWZRJJASA-N 0 3 371.525 3.276 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182212406 496708765 /nfs/dbraw/zinc/70/87/65/496708765.db2.gz GCCJMZDTAJWURF-SFHVURJKSA-N 0 3 369.421 3.118 20 30 FGEDHN Cn1cc(CNC(C)(C)COc2ncccc2Br)cc1C#N ZINC000191451659 496766834 /nfs/dbraw/zinc/76/68/34/496766834.db2.gz RBXWBPDBJIQKFF-UHFFFAOYSA-N 0 3 363.259 3.001 20 30 FGEDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191478193 496776734 /nfs/dbraw/zinc/77/67/34/496776734.db2.gz DJTCMWAPKSHALR-MRXNPFEDSA-N 0 3 353.470 3.056 20 30 FGEDHN COC[C@H](Cc1ccccc1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000191504360 496786933 /nfs/dbraw/zinc/78/69/33/496786933.db2.gz RWZXINZBICFVJL-IBGZPJMESA-N 0 3 351.450 3.076 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000247188370 496801686 /nfs/dbraw/zinc/80/16/86/496801686.db2.gz PYLJRPWMFJGENS-IAGOWNOFSA-N 0 3 372.538 3.047 20 30 FGEDHN CCOC(=O)c1csc(CCN[C@@H](C)c2ccc(OCC#N)cc2)n1 ZINC000191557746 496810324 /nfs/dbraw/zinc/81/03/24/496810324.db2.gz QYYZPHAONBQFBQ-ZDUSSCGKSA-N 0 3 359.451 3.115 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ncsc2c1 ZINC000195142926 496833661 /nfs/dbraw/zinc/83/36/61/496833661.db2.gz VKIFWMNKMTVJLU-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000247446393 496860600 /nfs/dbraw/zinc/86/06/00/496860600.db2.gz PVVPFZVFZYQZIQ-IDNNPUCFSA-N 0 3 358.482 3.072 20 30 FGEDHN C=CCN1CCC(NC(=O)COc2ccc(Oc3ccccn3)cc2)CC1 ZINC000264451441 496903211 /nfs/dbraw/zinc/90/32/11/496903211.db2.gz CTNYUNUSWXMWDV-UHFFFAOYSA-N 0 3 367.449 3.019 20 30 FGEDHN COCCO[C@@H]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000188814227 496916712 /nfs/dbraw/zinc/91/67/12/496916712.db2.gz KCNQBEQWHFIEBN-JOCHJYFZSA-N 0 3 366.461 3.375 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000191889163 496921097 /nfs/dbraw/zinc/92/10/97/496921097.db2.gz NLRPIZSPWHLDEV-TZIWHRDSSA-N 0 3 368.502 3.333 20 30 FGEDHN COc1cccc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000198747245 496970354 /nfs/dbraw/zinc/97/03/54/496970354.db2.gz GEVNYBYQYFIWBC-RXVVDRJESA-N 0 3 352.434 3.144 20 30 FGEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(OCC#N)cc1 ZINC000189046979 496990731 /nfs/dbraw/zinc/99/07/31/496990731.db2.gz NEMYEERFZWBVSN-QRWLVFNGSA-N 0 3 367.424 3.180 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000192133732 497006567 /nfs/dbraw/zinc/00/65/67/497006567.db2.gz NCKMBQPWEQXGNW-QUCCMNQESA-N 0 3 371.387 3.285 20 30 FGEDHN N#C[C@]1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCc2ccccc2C1 ZINC000248733989 497093273 /nfs/dbraw/zinc/09/32/73/497093273.db2.gz QMUGSNYDRXPWNM-VWNXMTODSA-N 0 3 373.500 3.466 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000274422136 497094344 /nfs/dbraw/zinc/09/43/44/497094344.db2.gz GPTQTXPQVMCYSB-UHFFFAOYSA-N 0 3 373.682 3.269 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000192410333 497106086 /nfs/dbraw/zinc/10/60/86/497106086.db2.gz QBDJBKDRVVEGDJ-OXJNMPFZSA-N 0 3 354.498 3.447 20 30 FGEDHN COC(=O)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000248886000 497125916 /nfs/dbraw/zinc/12/59/16/497125916.db2.gz HSJJJJQQOUJQSU-QFBILLFUSA-N 0 3 366.465 3.095 20 30 FGEDHN CC(C)N1CCN(C2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000270459928 497132237 /nfs/dbraw/zinc/13/22/37/497132237.db2.gz KWMAXRRDKYXGJM-UHFFFAOYSA-N 0 3 363.509 3.101 20 30 FGEDHN CC(C)CO[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000249044780 497153473 /nfs/dbraw/zinc/15/34/73/497153473.db2.gz NPWZZCPSXAGONV-SLFFLAALSA-N 0 3 369.509 3.088 20 30 FGEDHN COc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1OCCCC#N ZINC000274764167 497159893 /nfs/dbraw/zinc/15/98/93/497159893.db2.gz HJSJUIKHWBTLIK-LJQANCHMSA-N 0 3 354.450 3.071 20 30 FGEDHN N#CCCn1cc(CNCCOc2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000278670877 497185483 /nfs/dbraw/zinc/18/54/83/497185483.db2.gz OETMAVMVKLPKBD-UHFFFAOYSA-N 0 3 365.412 3.166 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC2(O)CCC2)cc1OC ZINC000237131394 497195638 /nfs/dbraw/zinc/19/56/38/497195638.db2.gz XMMSDAWJHWHVCZ-UHFFFAOYSA-N 0 3 356.260 3.027 20 30 FGEDHN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2cnn(C)c2)c1 ZINC000574953412 505890684 /nfs/dbraw/zinc/89/06/84/505890684.db2.gz OGKMZYIYYFXBAV-FQEVSTJZSA-N 0 3 373.460 3.316 20 30 FGEDHN CCOC(=O)C[C@@](C)(N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000192792982 497215842 /nfs/dbraw/zinc/21/58/42/497215842.db2.gz PZOZULHMCZGLLK-GHTZIAJQSA-N 0 3 371.481 3.011 20 30 FGEDHN CO[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[C@H]1C ZINC000251944484 497291778 /nfs/dbraw/zinc/29/17/78/497291778.db2.gz UXJCEMUVIMXYAT-CZUORRHYSA-N 0 3 361.511 3.184 20 30 FGEDHN N#Cc1ccc2ncc(CNCCOc3ccc(C(F)(F)F)cc3)n2c1 ZINC000237898560 497310635 /nfs/dbraw/zinc/31/06/35/497310635.db2.gz HYYRNRFYRMUKNR-UHFFFAOYSA-N 0 3 360.339 3.393 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(F)cc2)CC1 ZINC000271328361 497322351 /nfs/dbraw/zinc/32/23/51/497322351.db2.gz FHAKLTUVPXXDGL-KXBFYZLASA-N 0 3 363.477 3.241 20 30 FGEDHN COc1ccc(CN[C@H](CO)Cc2ccccc2)cc1OCCCC#N ZINC000275577477 497369635 /nfs/dbraw/zinc/36/96/35/497369635.db2.gz HJSJUIKHWBTLIK-IBGZPJMESA-N 0 3 354.450 3.071 20 30 FGEDHN COc1ccc(CC[C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279216548 497370997 /nfs/dbraw/zinc/37/09/97/497370997.db2.gz CIYGRVQIKMSAKK-JXFKEZNVSA-N 0 3 361.445 3.387 20 30 FGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCSCc1ccccc1C#N ZINC000255958856 497381838 /nfs/dbraw/zinc/38/18/38/497381838.db2.gz SCCANVLBAWZAAS-IRXDYDNUSA-N 0 3 374.554 3.211 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCCO[C@@H](C)C3)sc2C1 ZINC000245400201 497385054 /nfs/dbraw/zinc/38/50/54/497385054.db2.gz BQCUNZJJKUMLNV-KGLIPLIRSA-N 0 3 361.511 3.184 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000275806502 497437010 /nfs/dbraw/zinc/43/70/10/497437010.db2.gz PKTSLCSZTMUYPR-JOCHJYFZSA-N 0 3 356.510 3.265 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@H]1O ZINC000245526313 497440987 /nfs/dbraw/zinc/44/09/87/497440987.db2.gz ALVRVXBZJGZKFN-XYJFISCASA-N 0 3 350.528 3.134 20 30 FGEDHN C=CCc1cc(CN2CCNC[C@@H]2c2ccccc2OC)cc(OC)c1O ZINC000261773474 497448334 /nfs/dbraw/zinc/44/83/34/497448334.db2.gz SLSPFQCUPXLWJB-LJQANCHMSA-N 0 3 368.477 3.284 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271824639 497461498 /nfs/dbraw/zinc/46/14/98/497461498.db2.gz POVORXBNCIRYGV-DLUDVSRJSA-N 0 3 358.463 3.034 20 30 FGEDHN COc1ccc(OC)c(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000271837928 497465305 /nfs/dbraw/zinc/46/53/05/497465305.db2.gz GGGUWRDBNYQCQG-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN C=CCCOCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000245633657 497481393 /nfs/dbraw/zinc/48/13/93/497481393.db2.gz FWAWZRMQNNNEEO-WBVHZDCISA-N 0 3 351.516 3.023 20 30 FGEDHN COc1ccc(CN[C@@H](CO)Cc2cccc(C)c2)cc1OCCCC#N ZINC000276069907 497493185 /nfs/dbraw/zinc/49/31/85/497493185.db2.gz LUXMWJGGJFYDTF-HXUWFJFHSA-N 0 3 368.477 3.379 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccsc1 ZINC000272007217 497510235 /nfs/dbraw/zinc/51/02/35/497510235.db2.gz AEBAPYBKUZXXHQ-INIZCTEOSA-N 0 3 374.514 3.371 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCOc2ccc(F)cc2)cc1 ZINC000279702113 497513924 /nfs/dbraw/zinc/51/39/24/497513924.db2.gz JOKKQCVKQHAIAZ-SFHVURJKSA-N 0 3 365.408 3.355 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NCCSCc3ccccc3)C2=O)cc1 ZINC000193921896 497521149 /nfs/dbraw/zinc/52/11/49/497521149.db2.gz HXPAFCKLNQBIQN-FQEVSTJZSA-N 0 3 365.502 3.182 20 30 FGEDHN CCN(Cc1ccc2c(c1)OCO2)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279833601 497558266 /nfs/dbraw/zinc/55/82/66/497558266.db2.gz ZEHCIANQDWVTKI-GOSISDBHSA-N 0 3 361.401 3.018 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)c(OC)c1 ZINC000245982320 497589261 /nfs/dbraw/zinc/58/92/61/497589261.db2.gz HBCIEEWOPBDYPA-WOJBJXKFSA-N 0 3 352.434 3.446 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@@H]2C1 ZINC000272411087 497621076 /nfs/dbraw/zinc/62/10/76/497621076.db2.gz KUOMFYWWOIWMOW-WIYYLYMNSA-N 0 3 360.461 3.039 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3c(F)ccc(F)c3C2)cc1 ZINC000280088881 497644861 /nfs/dbraw/zinc/64/48/61/497644861.db2.gz OHHROPGYRUIHBB-OAHLLOKOSA-N 0 3 351.356 3.104 20 30 FGEDHN N#CC(C(=O)c1ccc(CN2CCCC2=O)cc1)c1cnc2ccccc2n1 ZINC000190925809 497649372 /nfs/dbraw/zinc/64/93/72/497649372.db2.gz SFXBRQWIVSLQIO-QGZVFWFLSA-N 0 3 370.412 3.242 20 30 FGEDHN C[C@H](CC[S@](C)=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000267996959 497655599 /nfs/dbraw/zinc/65/55/99/497655599.db2.gz LQBPFRQBTGVMLS-CPJLOUKISA-N 0 3 356.491 3.384 20 30 FGEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000280185511 497674474 /nfs/dbraw/zinc/67/44/74/497674474.db2.gz DDJHXFRBVBARCP-PKOBYXMFSA-N 0 3 367.836 3.398 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N[C@H](C)C2=CCN(C)CC2)cc1OC ZINC000272645358 497688281 /nfs/dbraw/zinc/68/82/81/497688281.db2.gz DCMOLFGUAWHEOI-MNDMWVCDSA-N 0 3 356.466 3.040 20 30 FGEDHN CCCOc1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280281562 497706785 /nfs/dbraw/zinc/70/67/85/497706785.db2.gz YWJDSPPWXVACGM-HXUWFJFHSA-N 0 3 361.445 3.388 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccc(F)cc3)c2CCC)CC1 ZINC000191101676 497709847 /nfs/dbraw/zinc/70/98/47/497709847.db2.gz UGRXDOMDGNIEII-UHFFFAOYSA-N 0 3 368.456 3.248 20 30 FGEDHN N#Cc1ccc2ncc(CNCCN3CCc4c(Cl)cccc4C3)n2c1 ZINC000191107417 497711860 /nfs/dbraw/zinc/71/18/60/497711860.db2.gz AEQRDKCQSGWVTD-UHFFFAOYSA-N 0 3 365.868 3.007 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000194722339 497749477 /nfs/dbraw/zinc/74/94/77/497749477.db2.gz JLUQHGBCMFBOEF-OAQYLSRUSA-N 0 3 365.477 3.309 20 30 FGEDHN N#Cc1cnc2ccccc2c1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000273050997 497790683 /nfs/dbraw/zinc/79/06/83/497790683.db2.gz BNRDVEYHXJDKRT-LJQANCHMSA-N 0 3 358.445 3.285 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000284565797 497830987 /nfs/dbraw/zinc/83/09/87/497830987.db2.gz HQAQKAZTWUMBME-QRWLVFNGSA-N 0 3 366.465 3.230 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000329602208 497842235 /nfs/dbraw/zinc/84/22/35/497842235.db2.gz KVRDXCVFLUGWAS-YLJYHZDGSA-N 0 3 371.525 3.459 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000329636134 497852839 /nfs/dbraw/zinc/85/28/39/497852839.db2.gz UWEROOQWYSLLQT-LSDHHAIUSA-N 0 3 373.526 3.349 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@H](O)c3ccccc3F)CC2)c1 ZINC000299656242 497883695 /nfs/dbraw/zinc/88/36/95/497883695.db2.gz QLUFZLPRWFDULA-FQEVSTJZSA-N 0 3 367.424 3.081 20 30 FGEDHN CC1CCN(CCNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000329736633 497883963 /nfs/dbraw/zinc/88/39/63/497883963.db2.gz SQJYEGCOVONXFI-FQEVSTJZSA-N 0 3 371.525 3.316 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccccc3[O-])CC1)CC2 ZINC000572327830 505942236 /nfs/dbraw/zinc/94/22/36/505942236.db2.gz ZMBDBNZVEYFGIH-HXUWFJFHSA-N 0 3 361.445 3.146 20 30 FGEDHN CC[C@@H]1C[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)CC(=O)N1 ZINC000329759239 497892025 /nfs/dbraw/zinc/89/20/25/497892025.db2.gz OPIKGIZYYDWSRP-LSDHHAIUSA-N 0 3 353.532 3.450 20 30 FGEDHN CCN1CCC[C@H]1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000329781300 497898565 /nfs/dbraw/zinc/89/85/65/497898565.db2.gz SOTIMXGYQWXUPI-XBMUEBEBSA-N 0 3 370.497 3.236 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000329781298 497898869 /nfs/dbraw/zinc/89/88/69/497898869.db2.gz SOTIMXGYQWXUPI-JLAWEPINSA-N 0 3 370.497 3.236 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)CC3(C)C)sc2C1 ZINC000299708124 497902361 /nfs/dbraw/zinc/90/23/61/497902361.db2.gz PUZDICZPNMMZPN-CQSZACIVSA-N 0 3 374.554 3.099 20 30 FGEDHN CN1CCN(c2cccc(Cl)c2CNCc2ccc(CC#N)cc2)CC1 ZINC000569483642 505945907 /nfs/dbraw/zinc/94/59/07/505945907.db2.gz APMZYKOUTZPWNS-UHFFFAOYSA-N 0 3 368.912 3.448 20 30 FGEDHN COc1ccccc1NC(=O)C1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000329820207 497913427 /nfs/dbraw/zinc/91/34/27/497913427.db2.gz YHNIKWWJJHCHHI-HZPDHXFCSA-N 0 3 373.497 3.395 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000280842028 497919074 /nfs/dbraw/zinc/91/90/74/497919074.db2.gz PEFXZGVIZHNZMI-VXKWHMMOSA-N 0 3 372.472 3.021 20 30 FGEDHN O[C@H](CNCC#Cc1cccc(F)c1)CO[C@H]1CCCc2ccccc21 ZINC000572357466 505949254 /nfs/dbraw/zinc/94/92/54/505949254.db2.gz WYEAHLYBBZKVLY-IRLDBZIGSA-N 0 3 353.437 3.222 20 30 FGEDHN CC(C)(C)CCN1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)CC1 ZINC000329857461 497930221 /nfs/dbraw/zinc/93/02/21/497930221.db2.gz ZFPFMCGJIKCFTJ-UHFFFAOYSA-N 0 3 367.563 3.303 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(F)cc(F)c(F)c2F)CC1 ZINC000280876593 497932629 /nfs/dbraw/zinc/93/26/29/497932629.db2.gz DVIYNLJGBBAVJN-UHFFFAOYSA-N 0 3 359.367 3.083 20 30 FGEDHN COc1cccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2ccc(C)cc2)c1 ZINC000292247849 497939162 /nfs/dbraw/zinc/93/91/62/497939162.db2.gz DCMMMQOTSILVOD-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)C1 ZINC000329936588 497959242 /nfs/dbraw/zinc/95/92/42/497959242.db2.gz LBTRKRHRFBPKTL-MRXNPFEDSA-N 0 3 367.497 3.407 20 30 FGEDHN CN(C)c1cccc([C@@H]2CCCN2C([O-])=[NH+]C[C@H]2CCc3nccn3C2)c1 ZINC000329936154 497959777 /nfs/dbraw/zinc/95/97/77/497959777.db2.gz CXGBDMXKDQTOMK-APWZRJJASA-N 0 3 367.497 3.263 20 30 FGEDHN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3CCCCN3C3CC3)cn2)n1 ZINC000329957784 497969407 /nfs/dbraw/zinc/96/94/07/497969407.db2.gz PPBNKEXNNQDVEP-SFHVURJKSA-N 0 3 353.470 3.206 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(C(F)F)nn(C)c3s2)CC1 ZINC000280994325 497980403 /nfs/dbraw/zinc/98/04/03/497980403.db2.gz TXXGPICYZFKGPD-UHFFFAOYSA-N 0 3 368.453 3.343 20 30 FGEDHN CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1c1cccs1 ZINC000329997254 497985613 /nfs/dbraw/zinc/98/56/13/497985613.db2.gz QESDGXAXJWPUOV-VNHYZAJKSA-N 0 3 350.488 3.045 20 30 FGEDHN CC(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)C1CCOCC1 ZINC000330044734 498002738 /nfs/dbraw/zinc/00/27/38/498002738.db2.gz HULVKNCIYQDWQS-FXUDXRNXSA-N 0 3 357.516 3.284 20 30 FGEDHN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330156613 498043882 /nfs/dbraw/zinc/04/38/82/498043882.db2.gz YUTZNWFPXWHNNQ-BWSDNOOPSA-N 0 3 357.502 3.298 20 30 FGEDHN C[C@]1(C[NH+]=C([O-])N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)CCOC1 ZINC000330223943 498068895 /nfs/dbraw/zinc/06/88/95/498068895.db2.gz NJJZSBADDIQBQJ-QWFCFKBJSA-N 0 3 354.454 3.042 20 30 FGEDHN CCc1ccc([C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC000281261246 498078245 /nfs/dbraw/zinc/07/82/45/498078245.db2.gz QQNFFOBUHGWLSS-VXKWHMMOSA-N 0 3 373.456 3.403 20 30 FGEDHN CC[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1nc(C)cs1 ZINC000330258915 498084151 /nfs/dbraw/zinc/08/41/51/498084151.db2.gz MXNKBRQYWHEYAO-GDBMZVCRSA-N 0 3 366.531 3.002 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000364696167 498096133 /nfs/dbraw/zinc/09/61/33/498096133.db2.gz LCCOPBMPIBTGRI-LJQANCHMSA-N 0 3 367.497 3.033 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCc3sc(C)nc32)CC1 ZINC000364718797 498109700 /nfs/dbraw/zinc/10/97/00/498109700.db2.gz XXCGFLZDPBVORF-OAHLLOKOSA-N 0 3 362.543 3.211 20 30 FGEDHN COc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c(C)c1 ZINC000572507728 505985382 /nfs/dbraw/zinc/98/53/82/505985382.db2.gz MIZDHKGSJPCGJT-UHFFFAOYSA-N 0 3 361.449 3.466 20 30 FGEDHN C[C@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CCN(C2CC2)C1 ZINC000296684112 498152810 /nfs/dbraw/zinc/15/28/10/498152810.db2.gz ISDZFSZWVDYSNM-INIZCTEOSA-N 0 3 374.916 3.003 20 30 FGEDHN CSC[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000292892313 498187025 /nfs/dbraw/zinc/18/70/25/498187025.db2.gz ZBPHCKQORAHMGT-INIZCTEOSA-N 0 3 355.511 3.434 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000575742500 505995319 /nfs/dbraw/zinc/99/53/19/505995319.db2.gz HPMWAULHZQGEIN-WNYOCNMUSA-N 0 3 374.868 3.317 20 30 FGEDHN N#Cc1ccsc1NC(=O)CNC1(Cc2cccc(F)c2)CCOCC1 ZINC000293033465 498242643 /nfs/dbraw/zinc/24/26/43/498242643.db2.gz PXNJVOWUUKKOCE-UHFFFAOYSA-N 0 3 373.453 3.079 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000285981504 498258641 /nfs/dbraw/zinc/25/86/41/498258641.db2.gz NZQUBCHOVUBCMI-LJQANCHMSA-N 0 3 366.440 3.219 20 30 FGEDHN CSC[C@H]1CCCN([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000331208586 498275773 /nfs/dbraw/zinc/27/57/73/498275773.db2.gz ZTHWESXNLFJETB-CVEARBPZSA-N 0 3 363.527 3.429 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1Cl ZINC000569768147 506011829 /nfs/dbraw/zinc/01/18/29/506011829.db2.gz RIDSDJHXNHVMIX-KRWDZBQOSA-N 0 3 355.825 3.031 20 30 FGEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000281879068 498302452 /nfs/dbraw/zinc/30/24/52/498302452.db2.gz PEPJJUASYRMLPJ-PKOBYXMFSA-N 0 3 373.497 3.218 20 30 FGEDHN N#Cc1cnc2ccccc2c1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000301892083 498315440 /nfs/dbraw/zinc/31/54/40/498315440.db2.gz VNYNMIPQYUQOHW-OALUTQOASA-N 0 3 358.445 3.154 20 30 FGEDHN CN(CCCC1(C#N)CCOCC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000282086521 498379257 /nfs/dbraw/zinc/37/92/57/498379257.db2.gz UYBXYNXCFHBELI-LJQANCHMSA-N 0 3 355.482 3.214 20 30 FGEDHN CC(C)(C#N)c1ccc(NC(=O)c2cnn(CCN3CCCCC3)c2)cc1 ZINC000365280864 498385449 /nfs/dbraw/zinc/38/54/49/498385449.db2.gz VHOUWDHOEFODQY-UHFFFAOYSA-N 0 3 365.481 3.422 20 30 FGEDHN Cc1nc2ccccn2c(=O)c1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000290042032 498405272 /nfs/dbraw/zinc/40/52/72/498405272.db2.gz QZCOBVKHUOEIOR-UHFFFAOYSA-N 0 3 358.445 3.082 20 30 FGEDHN CN(CCC#N)c1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000293572082 498415786 /nfs/dbraw/zinc/41/57/86/498415786.db2.gz HBBMPVDKSBUXRG-HXUWFJFHSA-N 0 3 352.482 3.281 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000331671187 498415878 /nfs/dbraw/zinc/41/58/78/498415878.db2.gz YJTOATDIAIHFNG-UHFFFAOYSA-N 0 3 352.438 3.242 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000302196069 498438203 /nfs/dbraw/zinc/43/82/03/498438203.db2.gz DWZHUHDRIKXYNM-UHFFFAOYSA-N 0 3 366.421 3.339 20 30 FGEDHN C=CCC(C)(C)CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000297494450 498469345 /nfs/dbraw/zinc/46/93/45/498469345.db2.gz UOZMWKCHIAWWBS-UHFFFAOYSA-N 0 3 358.530 3.332 20 30 FGEDHN COc1cccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N2CCCC2)c1 ZINC000297757318 498558898 /nfs/dbraw/zinc/55/88/98/498558898.db2.gz KOBVTVSBBGURGK-QRFRQXIXSA-N 0 3 370.497 3.214 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CNCc1cnc(OC)c(Cl)c1 ZINC000569962185 506057174 /nfs/dbraw/zinc/05/71/74/506057174.db2.gz QUIXQDJXDNFDRE-MRXNPFEDSA-N 0 3 362.857 3.002 20 30 FGEDHN Cn1c(-c2ccccc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000290627615 498624211 /nfs/dbraw/zinc/62/42/11/498624211.db2.gz CLAHUYWCMSKDDV-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN O=C1C[C@H]([C@H]2CCCCN2CC#Cc2ccc(C(F)(F)F)cc2)CN1 ZINC000363146526 498674907 /nfs/dbraw/zinc/67/49/07/498674907.db2.gz CDVHAOBDQAJUJS-DOTOQJQBSA-N 0 3 350.384 3.048 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)c2ccccc2OCC#N)N(C)C)cc1 ZINC000294448863 498695431 /nfs/dbraw/zinc/69/54/31/498695431.db2.gz OQTTXIGNMVYQMZ-GOSISDBHSA-N 0 3 369.490 3.344 20 30 FGEDHN CN(C(=O)Nc1ccc(F)cc1C#N)C1CCN(c2ccncc2)CC1 ZINC000365931837 498705108 /nfs/dbraw/zinc/70/51/08/498705108.db2.gz PMLPVQUHNGWPIP-UHFFFAOYSA-N 0 3 353.401 3.225 20 30 FGEDHN CN1CCN(C[C@@H]2CCCN(c3ccc(C(F)(F)F)cc3C#N)C2)CC1 ZINC000366093805 498771821 /nfs/dbraw/zinc/77/18/21/498771821.db2.gz QLDXCXDFOMCYAH-HNNXBMFYSA-N 0 3 366.431 3.041 20 30 FGEDHN N#CCc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000363403639 498802331 /nfs/dbraw/zinc/80/23/31/498802331.db2.gz DFJXTZSHMAJLSP-LJQANCHMSA-N 0 3 363.465 3.181 20 30 FGEDHN C=CCc1cc(C(=O)Nc2ccc3c(c2)CNCCO3)cc(OC)c1OC ZINC000291122203 498805389 /nfs/dbraw/zinc/80/53/89/498805389.db2.gz VFKAXEGVHDQOJG-UHFFFAOYSA-N 0 3 368.433 3.167 20 30 FGEDHN CC[C@@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000291182489 498832681 /nfs/dbraw/zinc/83/26/81/498832681.db2.gz JXCSXNCFEKKDOR-OFNKIYASSA-N 0 3 373.456 3.235 20 30 FGEDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@H]1CCOc2ccccc21 ZINC000328639991 498885069 /nfs/dbraw/zinc/88/50/69/498885069.db2.gz CHIXWTDRLQEJDY-FEHORTKBSA-N 0 3 356.466 3.404 20 30 FGEDHN C=CCN(C(=O)Cc1ncccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366391347 498906375 /nfs/dbraw/zinc/90/63/75/498906375.db2.gz NSSIXMVXZRCMAZ-GOSISDBHSA-N 0 3 353.441 3.052 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000328733350 498918987 /nfs/dbraw/zinc/91/89/87/498918987.db2.gz HQNRYILSCKVSQX-WBVHZDCISA-N 0 3 368.399 3.352 20 30 FGEDHN Cn1cc([C@@H]2CN(CC#Cc3cccc(Cl)c3)CC23CCOCC3)cn1 ZINC000295176449 498933915 /nfs/dbraw/zinc/93/39/15/498933915.db2.gz QZZURSNGLCHFPS-FQEVSTJZSA-N 0 3 369.896 3.321 20 30 FGEDHN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)c2ccccc21 ZINC000328800560 498942939 /nfs/dbraw/zinc/94/29/39/498942939.db2.gz ILHFXHPDILBWRW-ICSRJNTNSA-N 0 3 371.481 3.084 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291529286 498979074 /nfs/dbraw/zinc/97/90/74/498979074.db2.gz NFZVUUKOTXWLNF-YJBOKZPZSA-N 0 3 350.374 3.200 20 30 FGEDHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)C1 ZINC000328920031 498986059 /nfs/dbraw/zinc/98/60/59/498986059.db2.gz AXAZHDLIRVPZSL-FRYIKTPZSA-N 0 3 371.525 3.325 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC000579223080 506123465 /nfs/dbraw/zinc/12/34/65/506123465.db2.gz MRYIUPNRRZHKNC-IERDGZPVSA-N 0 3 354.425 3.299 20 30 FGEDHN CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328936936 498991788 /nfs/dbraw/zinc/99/17/88/498991788.db2.gz CTJAGTRGXCVENK-ICSUOEFDSA-N 0 3 360.498 3.477 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)C[C@@H](C)O1 ZINC000333522428 499022681 /nfs/dbraw/zinc/02/26/81/499022681.db2.gz HGJVZZMQOVBKGF-JBYIUTFZSA-N 0 3 373.541 3.198 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)C[C@H](C)O1 ZINC000333522430 499023131 /nfs/dbraw/zinc/02/31/31/499023131.db2.gz HGJVZZMQOVBKGF-SVMVAKDDSA-N 0 3 373.541 3.198 20 30 FGEDHN N#Cc1csc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000288452694 499029792 /nfs/dbraw/zinc/02/97/92/499029792.db2.gz PMPZUMGHKMPBPS-FQEVSTJZSA-N 0 3 351.475 3.358 20 30 FGEDHN COc1cccc(CNC2CCN(c3ccc(C#N)cc3)CC2)c1OC ZINC000299382476 499042751 /nfs/dbraw/zinc/04/27/51/499042751.db2.gz WTEGTHHZIQNRGH-UHFFFAOYSA-N 0 3 351.450 3.334 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329200462 499070553 /nfs/dbraw/zinc/07/05/53/499070553.db2.gz VHZILMLDHQOMFR-BNDYYXHWSA-N 0 3 363.546 3.323 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329222750 499076298 /nfs/dbraw/zinc/07/62/98/499076298.db2.gz WXENOHYUZYIEMB-OKYOBFRVSA-N 0 3 371.529 3.445 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccccc1 ZINC000329229464 499078627 /nfs/dbraw/zinc/07/86/27/499078627.db2.gz JIHZBYCTHVDREA-KZNAEPCWSA-N 0 3 358.486 3.034 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329253740 499084801 /nfs/dbraw/zinc/08/48/01/499084801.db2.gz ZIYUZMDLKSRKFD-KCYZZUKISA-N 0 3 352.523 3.144 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)C1 ZINC000329308338 499095029 /nfs/dbraw/zinc/09/50/29/499095029.db2.gz ZRHXDHISRLOVEY-GTAWCEEGSA-N 0 3 359.514 3.219 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cnc1N1CCCC[C@H]1C ZINC000329335447 499102660 /nfs/dbraw/zinc/10/26/60/499102660.db2.gz LGAGZVAUJUZXHM-AOIWGVFYSA-N 0 3 371.529 3.340 20 30 FGEDHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1cccc2c1OCO2 ZINC000329339898 499103830 /nfs/dbraw/zinc/10/38/30/499103830.db2.gz RHYLBDDKZOSIPF-UHFFFAOYSA-N 0 3 363.483 3.103 20 30 FGEDHN C[C@H](NC(=O)NCc1cccnc1OC1CCCC1)C1=CCN(C)CC1 ZINC000329352698 499106372 /nfs/dbraw/zinc/10/63/72/499106372.db2.gz UPQXVDKBPWOSOR-HNNXBMFYSA-N 0 3 358.486 3.057 20 30 FGEDHN CCn1cc(Br)c(=O)c(NC(=O)CC[C@H]2CCCCN2C)c1 ZINC000329384666 499113253 /nfs/dbraw/zinc/11/32/53/499113253.db2.gz PMHHLGOMKMPZNZ-GFCCVEGCSA-N 0 3 370.291 3.483 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000367028232 499136193 /nfs/dbraw/zinc/13/61/93/499136193.db2.gz VCEPMDWKDOYBNH-QGZVFWFLSA-N 0 3 351.454 3.286 20 30 FGEDHN CCc1nccc([C@H]2CCCN(CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000372578488 499148143 /nfs/dbraw/zinc/14/81/43/499148143.db2.gz NIRAUESYUVWEOS-KRWDZBQOSA-N 0 3 363.465 3.119 20 30 FGEDHN CCN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000372771185 499173307 /nfs/dbraw/zinc/17/33/07/499173307.db2.gz YTFQZQOAHUAMIS-AZUAARDMSA-N 0 3 351.450 3.092 20 30 FGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(c2ncccn2)CC1 ZINC000370207669 499197399 /nfs/dbraw/zinc/19/73/99/499197399.db2.gz LLRRVVPRJDYLCG-UHFFFAOYSA-N 0 3 374.410 3.448 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000370327679 499209866 /nfs/dbraw/zinc/20/98/66/499209866.db2.gz WFTCYRWIBJFRKM-YVEFUNNKSA-N 0 3 361.417 3.321 20 30 FGEDHN C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000371352037 499314030 /nfs/dbraw/zinc/31/40/30/499314030.db2.gz WPBFGGZJEYLZLD-KSSFIOAISA-N 0 3 366.431 3.039 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000371396616 499320440 /nfs/dbraw/zinc/32/04/40/499320440.db2.gz RSYJKXAWEXTCJM-GOEBONIOSA-N 0 3 370.478 3.285 20 30 FGEDHN Cc1cccc(CN2CCC(NC(=O)N3CCC(C)(C#N)CC3)CC2)c1 ZINC000371588443 499344948 /nfs/dbraw/zinc/34/49/48/499344948.db2.gz MXWMZEBIXIHRJL-UHFFFAOYSA-N 0 3 354.498 3.295 20 30 FGEDHN CC(=O)NCc1ccc([C@@H]2CCCN2CCCC2(C#N)CCOCC2)o1 ZINC000369207463 499377310 /nfs/dbraw/zinc/37/73/10/499377310.db2.gz YYWFMOXABUUNPV-SFHVURJKSA-N 0 3 359.470 3.153 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)cc1OC ZINC000372080211 499396669 /nfs/dbraw/zinc/39/66/69/499396669.db2.gz CGRUCVVNRPCLFS-MOPGFXCFSA-N 0 3 358.482 3.235 20 30 FGEDHN Cc1nnc([C@H]2CC23CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC3)o1 ZINC000369415493 499401218 /nfs/dbraw/zinc/40/12/18/499401218.db2.gz ADDIUBWPYXTKHP-RDTXWAMCSA-N 0 3 352.438 3.439 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369568562 499419580 /nfs/dbraw/zinc/41/95/80/499419580.db2.gz LRDXIPCKLPFJAE-URLQWDBASA-N 0 3 369.490 3.196 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000369568563 499419865 /nfs/dbraw/zinc/41/98/65/499419865.db2.gz LRDXIPCKLPFJAE-ZSZQSSIHSA-N 0 3 369.490 3.196 20 30 FGEDHN CCCC[C@H](C)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000576387381 506146086 /nfs/dbraw/zinc/14/60/86/506146086.db2.gz FLCFOIHBAOEBSW-FXAWDEMLSA-N 0 3 374.504 3.045 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)CC1 ZINC000373547737 499476274 /nfs/dbraw/zinc/47/62/74/499476274.db2.gz WFFMEBRUAHHKDS-HNNXBMFYSA-N 0 3 362.543 3.163 20 30 FGEDHN COc1ccc([C@@H](CCC#N)NC[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000375726512 499549216 /nfs/dbraw/zinc/54/92/16/499549216.db2.gz WQLCSWWSYKWROV-YLJYHZDGSA-N 0 3 365.481 3.336 20 30 FGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000375788643 499555913 /nfs/dbraw/zinc/55/59/13/499555913.db2.gz JFHIGFJWRVUVRR-ZWKOTPCHSA-N 0 3 364.493 3.296 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCCN(c3ccncn3)C2)cc1 ZINC000376463416 499610526 /nfs/dbraw/zinc/61/05/26/499610526.db2.gz MHZBJMIWQYODJD-MJGOQNOKSA-N 0 3 351.454 3.089 20 30 FGEDHN Cc1cc(NC(=O)c2c[nH]c(C#N)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000376823771 499637757 /nfs/dbraw/zinc/63/77/57/499637757.db2.gz RDBOIHGZFRYIIG-LJQANCHMSA-N 0 3 374.448 3.091 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)NCC(C)(C)CCC#N ZINC000377041525 499656227 /nfs/dbraw/zinc/65/62/27/499656227.db2.gz HQKWSLUMUCURIJ-UHFFFAOYSA-N 0 3 357.502 3.269 20 30 FGEDHN C=CCN1CC[C@@H](N(Cc2ccc(Br)cc2)C(C)C)C1=O ZINC000410342838 499656464 /nfs/dbraw/zinc/65/64/64/499656464.db2.gz OKYVWXAOHWEWGB-MRXNPFEDSA-N 0 3 351.288 3.446 20 30 FGEDHN N#CC1(CCCN2CCC(NC(=O)CC3CCCC3)CC2)CCOCC1 ZINC000410364458 499657827 /nfs/dbraw/zinc/65/78/27/499657827.db2.gz AKZHDPWQJRZHJY-UHFFFAOYSA-N 0 3 361.530 3.248 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000377496234 499697491 /nfs/dbraw/zinc/69/74/91/499697491.db2.gz QMHCBXPOBYIJHB-QXAKKESOSA-N 0 3 362.539 3.448 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](n3ccnc3C(C)C)C2)CC1 ZINC000377775975 499731981 /nfs/dbraw/zinc/73/19/81/499731981.db2.gz FMOZATBKIJNNDS-GOSISDBHSA-N 0 3 359.518 3.003 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](n3ccnc3C(C)C)C2)CC1 ZINC000377788612 499733696 /nfs/dbraw/zinc/73/36/96/499733696.db2.gz XKZZKULEJIVRBM-LJQANCHMSA-N 0 3 373.545 3.394 20 30 FGEDHN N#Cc1ccc(OCCN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000412008926 499812492 /nfs/dbraw/zinc/81/24/92/499812492.db2.gz MYYOGHDMMZYUEX-NRFANRHFSA-N 0 3 366.461 3.057 20 30 FGEDHN COc1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1Cl ZINC000412023727 499813895 /nfs/dbraw/zinc/81/38/95/499813895.db2.gz AIRHTUJCJKKPMS-INIZCTEOSA-N 0 3 360.841 3.092 20 30 FGEDHN COc1cc(CNC(=O)c2cccc(CN3CCCCC3)c2)ccc1C#N ZINC000412352207 499847853 /nfs/dbraw/zinc/84/78/53/499847853.db2.gz CKXYVFRCOOMVAG-UHFFFAOYSA-N 0 3 363.461 3.483 20 30 FGEDHN C=CCc1cc(CNC(=O)Nc2ccc3c(c2)CNC3)cc(OC)c1OC ZINC000415988799 499938070 /nfs/dbraw/zinc/93/80/70/499938070.db2.gz DPHVSGFPLHPMTL-UHFFFAOYSA-N 0 3 367.449 3.357 20 30 FGEDHN CN(C)[C@@H](CC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000416178188 499970266 /nfs/dbraw/zinc/97/02/66/499970266.db2.gz GZTRPOGBIBELIP-LEWJYISDSA-N 0 3 363.461 3.151 20 30 FGEDHN CN(C)[C@H](CC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000416234139 499989181 /nfs/dbraw/zinc/98/91/81/499989181.db2.gz MECTUMKHJBOADB-OAQYLSRUSA-N 0 3 365.477 3.226 20 30 FGEDHN CCC1(CC)[C@H](NCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)[C@@H]1OC ZINC000429296965 500046764 /nfs/dbraw/zinc/04/67/64/500046764.db2.gz UHBSWSXUFJGTGY-AHRSYUTCSA-N 0 3 357.498 3.363 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429309855 500049646 /nfs/dbraw/zinc/04/96/46/500049646.db2.gz SBZANKGKVQEPKV-GOEBONIOSA-N 0 3 356.491 3.114 20 30 FGEDHN C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)N1CCC(C)CC1 ZINC000416695142 500089599 /nfs/dbraw/zinc/08/95/99/500089599.db2.gz UDOKHQAVFOOZFV-UZLBHIALSA-N 0 3 354.498 3.355 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425445175 500108401 /nfs/dbraw/zinc/10/84/01/500108401.db2.gz OUDLYIVGQQDWHS-INIZCTEOSA-N 0 3 372.513 3.150 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCO[C@H](C)C1 ZINC000421846435 500163463 /nfs/dbraw/zinc/16/34/63/500163463.db2.gz SNBFETGRWGRZJP-CVEARBPZSA-N 0 3 350.532 3.152 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000417772447 500168395 /nfs/dbraw/zinc/16/83/95/500168395.db2.gz YOWIDERULIWAEC-FQEVSTJZSA-N 0 3 366.465 3.060 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000417772448 500168604 /nfs/dbraw/zinc/16/86/04/500168604.db2.gz YOWIDERULIWAEC-HXUWFJFHSA-N 0 3 366.465 3.060 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1ccc(C(F)(F)F)cc1 ZINC000417942643 500201771 /nfs/dbraw/zinc/20/17/71/500201771.db2.gz SYPHCYOIJLECFK-JKSUJKDBSA-N 0 3 371.403 3.000 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000426034209 500228762 /nfs/dbraw/zinc/22/87/62/500228762.db2.gz HLAOAGLKAQGQID-NRFANRHFSA-N 0 3 361.445 3.306 20 30 FGEDHN C=CCOc1ccc(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)cc1 ZINC000430453006 500242230 /nfs/dbraw/zinc/24/22/30/500242230.db2.gz DBLDTKBWQGDZIJ-UHFFFAOYSA-N 0 3 354.454 3.275 20 30 FGEDHN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000430715669 500274123 /nfs/dbraw/zinc/27/41/23/500274123.db2.gz QJUUBMOXTDEBKY-HSQYWUDLSA-N 0 3 361.489 3.498 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@@H](c2ccccc2)N(C)C1=O)C(C)C ZINC000430905981 500304917 /nfs/dbraw/zinc/30/49/17/500304917.db2.gz HCZBKKZBAXFXEX-RTBURBONSA-N 0 3 355.482 3.320 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000426830440 500326750 /nfs/dbraw/zinc/32/67/50/500326750.db2.gz YBJATFIMFMWUNY-ROUUACIJSA-N 0 3 355.482 3.454 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419650037 500387964 /nfs/dbraw/zinc/38/79/64/500387964.db2.gz TVXIVXIHMSBLOS-YWZLYKJASA-N 0 3 354.498 3.307 20 30 FGEDHN C=CCC[C@H]1NC(=O)N(C[C@@H](c2ccc(OC)cc2)N2CCCCC2)C1=O ZINC000419918714 500406840 /nfs/dbraw/zinc/40/68/40/500406840.db2.gz DGWQOBFQWQDIJA-MOPGFXCFSA-N 0 3 371.481 3.109 20 30 FGEDHN C=C[C@@](C)(O)CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000431851140 500433807 /nfs/dbraw/zinc/43/38/07/500433807.db2.gz ZQCWKNVKSOHKBX-OAQYLSRUSA-N 0 3 356.510 3.361 20 30 FGEDHN N#Cc1cnc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(Cl)c1 ZINC000427918197 500445171 /nfs/dbraw/zinc/44/51/71/500445171.db2.gz XOYAATYXVBQDFT-QGZVFWFLSA-N 0 3 354.841 3.174 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000424125570 500457659 /nfs/dbraw/zinc/45/76/59/500457659.db2.gz OCIAYHADOHDVLK-INIZCTEOSA-N 0 3 359.376 3.394 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000424134339 500459034 /nfs/dbraw/zinc/45/90/34/500459034.db2.gz HWIMXEUQZUMIME-CABCVRRESA-N 0 3 374.243 3.054 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000424155043 500461469 /nfs/dbraw/zinc/46/14/69/500461469.db2.gz PDMBVRZWOQCFRL-XJKSGUPXSA-N 0 3 370.280 3.384 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000420794652 500502724 /nfs/dbraw/zinc/50/27/24/500502724.db2.gz CWUSPKVYHOIDFW-DNVCBOLYSA-N 0 3 368.506 3.330 20 30 FGEDHN C=CCCn1cc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)nn1 ZINC000424720131 500549662 /nfs/dbraw/zinc/54/96/62/500549662.db2.gz KKLBSCZZVHNALH-HXUWFJFHSA-N 0 3 367.497 3.057 20 30 FGEDHN Cc1ccc(OCCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000428785426 500556676 /nfs/dbraw/zinc/55/66/76/500556676.db2.gz MDTPHIQIORRRBD-FQEVSTJZSA-N 0 3 351.450 3.492 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nc(COC)sc2-c2ccccc2)CC1 ZINC000442730870 500616404 /nfs/dbraw/zinc/61/64/04/500616404.db2.gz GMFODPJFIQEXBH-UHFFFAOYSA-N 0 3 371.506 3.337 20 30 FGEDHN COc1cccc(N2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)c1 ZINC000433110341 500628461 /nfs/dbraw/zinc/62/84/61/500628461.db2.gz OXVFHLXOEZRPLA-IBGZPJMESA-N 0 3 363.461 3.116 20 30 FGEDHN Cc1c(NC(=O)C(C#N)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000433118839 500630291 /nfs/dbraw/zinc/63/02/91/500630291.db2.gz ZOKZVPFYDAEELR-GOSISDBHSA-N 0 3 374.444 3.196 20 30 FGEDHN CC(C)c1ccc2ncc(C#N)c(N3CCCN([C@@H](C)CO)CC3)c2c1 ZINC000447685268 500645195 /nfs/dbraw/zinc/64/51/95/500645195.db2.gz JMWJEGNWUIXFSX-INIZCTEOSA-N 0 3 352.482 3.123 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000433219251 500650003 /nfs/dbraw/zinc/65/00/03/500650003.db2.gz ITWROEIQHSYGCV-IBGZPJMESA-N 0 3 361.445 3.202 20 30 FGEDHN C=CCN1CC[C@H](N2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000433296654 500664818 /nfs/dbraw/zinc/66/48/18/500664818.db2.gz SVMNQRPJTNQWCF-WBVHZDCISA-N 0 3 363.299 3.100 20 30 FGEDHN COc1ccc(OC)c(CCNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433307483 500667459 /nfs/dbraw/zinc/66/74/59/500667459.db2.gz VOULNNJFWVGXSJ-SFHVURJKSA-N 0 3 352.434 3.135 20 30 FGEDHN N#CCCn1cc(CNCc2ccc3c(c2)COC3)c(-c2ccncc2)n1 ZINC000433342726 500676842 /nfs/dbraw/zinc/67/68/42/500676842.db2.gz XAGGSCXHVYIBFS-UHFFFAOYSA-N 0 3 359.433 3.179 20 30 FGEDHN CN(C)C(=O)Nc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433363900 500681263 /nfs/dbraw/zinc/68/12/63/500681263.db2.gz IKJOXHZEOHZKJN-SFHVURJKSA-N 0 3 364.449 3.169 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433370988 500682919 /nfs/dbraw/zinc/68/29/19/500682919.db2.gz KDLPCKBQEVUGQJ-BVYCBKJFSA-N 0 3 361.489 3.396 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000438052760 500731519 /nfs/dbraw/zinc/73/15/19/500731519.db2.gz JSIYDSDUZUFGBB-ACRUOGEOSA-N 0 3 371.525 3.412 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000438451075 500787171 /nfs/dbraw/zinc/78/71/71/500787171.db2.gz GSJDEKWJXFMUSI-NJYVYQBISA-N 0 3 371.525 3.274 20 30 FGEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(O[C@H]2CCOC2)c1 ZINC000602569387 506220475 /nfs/dbraw/zinc/22/04/75/506220475.db2.gz QYANSHXBUFTANH-HKUYNNGSSA-N 0 3 358.482 3.351 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448922463 500870021 /nfs/dbraw/zinc/87/00/21/500870021.db2.gz QOVLIVFZPPNBMI-UHFFFAOYSA-N 0 3 365.315 3.457 20 30 FGEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000602574040 506221961 /nfs/dbraw/zinc/22/19/61/506221961.db2.gz FMOOLZOZPZGXEL-HRAATJIYSA-N 0 3 351.450 3.368 20 30 FGEDHN CO[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1OC ZINC000444690251 500879581 /nfs/dbraw/zinc/87/95/81/500879581.db2.gz JFMONLWQWOINJR-SFTDATJTSA-N 0 3 350.462 3.232 20 30 FGEDHN CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000602600315 506227464 /nfs/dbraw/zinc/22/74/64/506227464.db2.gz VLFVBYQJMDGZPN-LJQANCHMSA-N 0 3 351.450 3.245 20 30 FGEDHN C=C(C)COc1cc(CNC[C@@H](O)Cc2cccc(F)c2)ccc1OC ZINC000449361381 500986800 /nfs/dbraw/zinc/98/68/00/500986800.db2.gz JDWXIGKIUPVJHZ-IBGZPJMESA-N 0 3 359.441 3.482 20 30 FGEDHN C=C[C@@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435511769 500987248 /nfs/dbraw/zinc/98/72/48/500987248.db2.gz QMEGAIQNRWRUFH-CRAIPNDOSA-N 0 3 353.470 3.335 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000440320258 500996578 /nfs/dbraw/zinc/99/65/78/500996578.db2.gz XOYKGTMSKPEJPJ-QNGMFEMESA-N 0 3 361.574 3.408 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000435733907 501020151 /nfs/dbraw/zinc/02/01/51/501020151.db2.gz VIRMOVOBRYDYTA-SJCJKPOMSA-N 0 3 350.825 3.131 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)c(OCC)c(OC)c1 ZINC000449518453 501023484 /nfs/dbraw/zinc/02/34/84/501023484.db2.gz KATFEUWFEGAOPH-KGLIPLIRSA-N 0 3 356.260 3.290 20 30 FGEDHN C=CCC[C@H](NC(=O)N1CCC(OCCN(C)C)CC1)c1ccccc1 ZINC000435765681 501025240 /nfs/dbraw/zinc/02/52/40/501025240.db2.gz XMMYVNDSHXCMDY-FQEVSTJZSA-N 0 3 359.514 3.446 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)NC1(C#N)CCC1 ZINC000435880999 501040876 /nfs/dbraw/zinc/04/08/76/501040876.db2.gz MYGUOVVCPTYUDS-NWDGAFQWSA-N 0 3 350.260 3.051 20 30 FGEDHN C=CCC[C@@H](CO)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449702281 501065401 /nfs/dbraw/zinc/06/54/01/501065401.db2.gz YINAMPDVCCTLLT-AWEZNQCLSA-N 0 3 350.260 3.256 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000436289306 501102053 /nfs/dbraw/zinc/10/20/53/501102053.db2.gz GOQKDHRROOOMQG-GTAWCEEGSA-N 0 3 364.917 3.283 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000436289309 501102111 /nfs/dbraw/zinc/10/21/11/501102111.db2.gz GOQKDHRROOOMQG-LMCOJAPRSA-N 0 3 364.917 3.283 20 30 FGEDHN CS[C@H]1CN(c2nc3ccccc3c(C)c2C#N)C[C@@H]1N1CCCC1 ZINC000450450320 501124575 /nfs/dbraw/zinc/12/45/75/501124575.db2.gz CITHBAXQBZRTCH-OALUTQOASA-N 0 3 352.507 3.431 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCC(C)(C)CC#N)c1cccc(OC)c1 ZINC000457567163 501259279 /nfs/dbraw/zinc/25/92/79/501259279.db2.gz VFLFPPKBRLGLPA-GOSISDBHSA-N 0 3 360.502 3.317 20 30 FGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000451296594 501259320 /nfs/dbraw/zinc/25/93/20/501259320.db2.gz PXCCBVDFWILMKB-AWEZNQCLSA-N 0 3 364.287 3.171 20 30 FGEDHN Cc1cc(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)ncc1C#N ZINC000457574640 501260809 /nfs/dbraw/zinc/26/08/09/501260809.db2.gz MWSVMWVVKNDLLQ-UHFFFAOYSA-N 0 3 358.829 3.108 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)N2CCC(F)(C#N)CC2)CCC1 ZINC000455335690 501274535 /nfs/dbraw/zinc/27/45/35/501274535.db2.gz OZGIICXMFOGXCQ-UHFFFAOYSA-N 0 3 358.461 3.078 20 30 FGEDHN COc1c(C)cnc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000451375874 501278691 /nfs/dbraw/zinc/27/86/91/501278691.db2.gz NFUGOAOBFJNYBB-UHFFFAOYSA-N 0 3 352.438 3.039 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000451485132 501303710 /nfs/dbraw/zinc/30/37/10/501303710.db2.gz AQGWXTWYPQXDLO-BBWFWOEESA-N 0 3 351.368 3.484 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453425670 501329194 /nfs/dbraw/zinc/32/91/94/501329194.db2.gz NZFOGLROHXVDHE-LPHOPBHVSA-N 0 3 367.497 3.061 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453426857 501329583 /nfs/dbraw/zinc/32/95/83/501329583.db2.gz SZSUFACMCVGMJQ-LJQANCHMSA-N 0 3 353.514 3.282 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000455547729 501331042 /nfs/dbraw/zinc/33/10/42/501331042.db2.gz RZLLOCPUFURANU-KXBFYZLASA-N 0 3 366.440 3.160 20 30 FGEDHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](CO)C(C)C ZINC000451602361 501334724 /nfs/dbraw/zinc/33/47/24/501334724.db2.gz VJHXJUXHQHKNME-QANKJYHBSA-N 0 3 365.905 3.417 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453451061 501335102 /nfs/dbraw/zinc/33/51/02/501335102.db2.gz RTIXHMXBRBANDT-INIZCTEOSA-N 0 3 373.476 3.101 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000451611073 501336263 /nfs/dbraw/zinc/33/62/63/501336263.db2.gz WCAYMBAVHNIAOL-IKGGRYGDSA-N 0 3 368.399 3.130 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000451678171 501348807 /nfs/dbraw/zinc/34/88/07/501348807.db2.gz WJSXZYRABSHYHX-MSOLQXFVSA-N 0 3 351.512 3.081 20 30 FGEDHN C=C(C)[C@@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccc(F)c(F)c1 ZINC000455652949 501357432 /nfs/dbraw/zinc/35/74/32/501357432.db2.gz CWXYBSJURAAZMO-QGZVFWFLSA-N 0 3 363.412 3.162 20 30 FGEDHN CC(C)(C)C(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000453597824 501357608 /nfs/dbraw/zinc/35/76/08/501357608.db2.gz ZVRHACBWVUUIHG-CYBMUJFWSA-N 0 3 361.405 3.433 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000451771957 501369405 /nfs/dbraw/zinc/36/94/05/501369405.db2.gz UFXCCXJEQIYVPE-LJQANCHMSA-N 0 3 354.454 3.015 20 30 FGEDHN CC[C@H](C)N1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000451841544 501384031 /nfs/dbraw/zinc/38/40/31/501384031.db2.gz LUDNWFLKWDUBNB-VQTJNVASSA-N 0 3 370.541 3.355 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000451888022 501393216 /nfs/dbraw/zinc/39/32/16/501393216.db2.gz HKVGVFYVOFWQDY-LAUBAEHRSA-N 0 3 364.578 3.262 20 30 FGEDHN CC(C)(C)CC(C)(C)N1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000451900497 501395875 /nfs/dbraw/zinc/39/58/75/501395875.db2.gz KBGHRMNAORQMKK-UHFFFAOYSA-N 0 3 356.514 3.329 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455926990 501417721 /nfs/dbraw/zinc/41/77/21/501417721.db2.gz YXONFOPSOYPWDO-UHFFFAOYSA-N 0 3 366.465 3.057 20 30 FGEDHN C=C[C@@](C)(O)CC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000452449191 501503228 /nfs/dbraw/zinc/50/32/28/501503228.db2.gz AYLPEGRZHCMXAC-FYYLOGMGSA-N 0 3 370.537 3.463 20 30 FGEDHN CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000458737915 501519284 /nfs/dbraw/zinc/51/92/84/501519284.db2.gz JHWGEAGTHIIZFU-GOSISDBHSA-N 0 3 356.514 3.478 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)n1 ZINC000602683713 506260567 /nfs/dbraw/zinc/26/05/67/506260567.db2.gz RQWPJQSUKDJQMQ-MRXNPFEDSA-N 0 3 365.387 3.200 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000454552160 501575809 /nfs/dbraw/zinc/57/58/09/501575809.db2.gz SWAVKLIPRYKBLP-CQSZACIVSA-N 0 3 353.388 3.041 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000454555497 501576771 /nfs/dbraw/zinc/57/67/71/501576771.db2.gz XZFUHEMVYRPMTD-MRXNPFEDSA-N 0 3 365.905 3.020 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459127717 501599364 /nfs/dbraw/zinc/59/93/64/501599364.db2.gz SQCGVBQOTLXTEC-IBGZPJMESA-N 0 3 366.440 3.113 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000453014385 501601467 /nfs/dbraw/zinc/60/14/67/501601467.db2.gz KKKDBXKEFSKDDS-TZIWHRDSSA-N 0 3 357.494 3.046 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000459474505 501660034 /nfs/dbraw/zinc/66/00/34/501660034.db2.gz XZDIACDXKOFSTD-MISYRCLQSA-N 0 3 363.417 3.471 20 30 FGEDHN CC(C)[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CO)CCCC1 ZINC000459529914 501670609 /nfs/dbraw/zinc/67/06/09/501670609.db2.gz LENWICPIMRIWNU-SFHVURJKSA-N 0 3 363.889 3.317 20 30 FGEDHN CC(C)[C@H](NCC(=O)N(CCC#N)c1ccccc1)C1(CO)CCCC1 ZINC000459535233 501672039 /nfs/dbraw/zinc/67/20/39/501672039.db2.gz RRKHEEIFPBPUFK-FQEVSTJZSA-N 0 3 357.498 3.100 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H](C(C)C)C2(CO)CCCC2)c(C#N)c1C ZINC000459545590 501673862 /nfs/dbraw/zinc/67/38/62/501673862.db2.gz SMJPOKZLOHDYFK-QGZVFWFLSA-N 0 3 363.527 3.342 20 30 FGEDHN Cc1nsc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1C#N ZINC000459571924 501679161 /nfs/dbraw/zinc/67/91/61/501679161.db2.gz DIBVTBVVEVZLSK-AWEZNQCLSA-N 0 3 369.494 3.452 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC000459753782 501708942 /nfs/dbraw/zinc/70/89/42/501708942.db2.gz NWFZIJVZZPAFAM-RTBURBONSA-N 0 3 355.482 3.097 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000459760987 501710027 /nfs/dbraw/zinc/71/00/27/501710027.db2.gz MYBDPVUVYNHBLH-DLBZAZTESA-N 0 3 361.873 3.134 20 30 FGEDHN C=CCCCN(C)C(=O)C(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000460060900 501725632 /nfs/dbraw/zinc/72/56/32/501725632.db2.gz UENKCUVJQQFYPZ-UYAOXDASSA-N 0 3 371.525 3.095 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000588340023 506272451 /nfs/dbraw/zinc/27/24/51/506272451.db2.gz ZCMJGYUYCXLVOX-AUUYWEPGSA-N 0 3 354.429 3.188 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1 ZINC000474325160 501790327 /nfs/dbraw/zinc/79/03/27/501790327.db2.gz DHVVHIFRNVZCPF-DLBZAZTESA-N 0 3 365.424 3.094 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2Br)cc1 ZINC000470798858 501806682 /nfs/dbraw/zinc/80/66/82/501806682.db2.gz RVGFPGLFZJMYPB-INIZCTEOSA-N 0 3 368.234 3.319 20 30 FGEDHN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460389627 501812201 /nfs/dbraw/zinc/81/22/01/501812201.db2.gz UONWYMNDEKBBTG-KRWDZBQOSA-N 0 3 355.486 3.404 20 30 FGEDHN Cc1ccccc1OCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470839052 501825346 /nfs/dbraw/zinc/82/53/46/501825346.db2.gz CPHNGPLWFUFEBB-HXUWFJFHSA-N 0 3 361.445 3.476 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000470943899 501863709 /nfs/dbraw/zinc/86/37/09/501863709.db2.gz FGAARTFYTRJAIN-VKJFTORMSA-N 0 3 351.356 3.191 20 30 FGEDHN CCc1nnc(NCCc2ccc(OCCN(C)C)cc2)c(C#N)c1CC ZINC000467797761 501876762 /nfs/dbraw/zinc/87/67/62/501876762.db2.gz IFUYNZAUMZPHLE-UHFFFAOYSA-N 0 3 367.497 3.068 20 30 FGEDHN Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n(C2CCN(C)CC2)n1 ZINC000464032142 501880252 /nfs/dbraw/zinc/88/02/52/501880252.db2.gz NACNMWMKFBPHND-OAHLLOKOSA-N 0 3 351.454 3.072 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1CCN(C)C ZINC000474632084 501901404 /nfs/dbraw/zinc/90/14/04/501901404.db2.gz HCGNBMCYCRRIJQ-UHFFFAOYSA-N 0 3 367.497 3.089 20 30 FGEDHN CC(C)(C)[C@](C)(C#N)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000464159480 501910575 /nfs/dbraw/zinc/91/05/75/501910575.db2.gz SMNOCVDNYPXMQM-NRFANRHFSA-N 0 3 356.514 3.033 20 30 FGEDHN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000471098996 501918487 /nfs/dbraw/zinc/91/84/87/501918487.db2.gz QJERYHFPNVYQIW-GIVPXCGWSA-N 0 3 359.429 3.312 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000588374705 506281909 /nfs/dbraw/zinc/28/19/09/506281909.db2.gz VZPMRVADHHEGKI-QRWLVFNGSA-N 0 3 366.465 3.230 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000471241310 501965332 /nfs/dbraw/zinc/96/53/32/501965332.db2.gz FOPKHFAEQYWOAK-GOSISDBHSA-N 0 3 364.449 3.210 20 30 FGEDHN C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCCC[C@@H]1C ZINC000468249423 502004370 /nfs/dbraw/zinc/00/43/70/502004370.db2.gz IOEQYCFYITZXCV-GJZGRUSLSA-N 0 3 352.438 3.206 20 30 FGEDHN COc1cc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000461227686 502045575 /nfs/dbraw/zinc/04/55/75/502045575.db2.gz SDLYAUMMEUXRPJ-MGPUTAFESA-N 0 3 366.465 3.057 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475312204 502129821 /nfs/dbraw/zinc/12/98/21/502129821.db2.gz BDLIJDWZVIULHR-YLJYHZDGSA-N 0 3 363.461 3.058 20 30 FGEDHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000464930690 502147886 /nfs/dbraw/zinc/14/78/86/502147886.db2.gz DYXADWHYRVTHSK-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN COC(=O)C1CCN(CCCNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000475377038 502154131 /nfs/dbraw/zinc/15/41/31/502154131.db2.gz UOLQRUJJUOGIAJ-UHFFFAOYSA-N 0 3 369.387 3.264 20 30 FGEDHN COc1ccc(CN(CCO)[C@H]2CCCSC2)cc1OCCCC#N ZINC000475512048 502198231 /nfs/dbraw/zinc/19/82/31/502198231.db2.gz VAMRYIDQAIEURJ-KRWDZBQOSA-N 0 3 364.511 3.068 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000465408328 502253291 /nfs/dbraw/zinc/25/32/91/502253291.db2.gz LGTKNANHKPANHB-QOKNQOGYSA-N 0 3 350.528 3.444 20 30 FGEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCCCC2 ZINC000472198711 502266956 /nfs/dbraw/zinc/26/69/56/502266956.db2.gz BXNCLWUOGFMLTN-HSALFYBXSA-N 0 3 365.477 3.485 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475755868 502281996 /nfs/dbraw/zinc/28/19/96/502281996.db2.gz PAPCQGSKTGIHGJ-IBGZPJMESA-N 0 3 350.466 3.059 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000462034248 502281994 /nfs/dbraw/zinc/28/19/94/502281994.db2.gz ZZKISBGQMKZPIO-UHFFFAOYSA-N 0 3 369.534 3.475 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000472308875 502308636 /nfs/dbraw/zinc/30/86/36/502308636.db2.gz BDQVSOAHWHHQIG-QFBILLFUSA-N 0 3 350.422 3.134 20 30 FGEDHN C[C@H](NC1(CNC(=O)c2ccc(C#N)s2)CCOCC1)c1ccccc1 ZINC000487036781 502337961 /nfs/dbraw/zinc/33/79/61/502337961.db2.gz IEOMPJLELRVKFF-HNNXBMFYSA-N 0 3 369.490 3.250 20 30 FGEDHN C=CCCC1(C(=O)N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)CC1 ZINC000476008469 502356353 /nfs/dbraw/zinc/35/63/53/502356353.db2.gz HMTWJGRCBIBPFV-PKOBYXMFSA-N 0 3 358.530 3.398 20 30 FGEDHN C[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000462252875 502368909 /nfs/dbraw/zinc/36/89/09/502368909.db2.gz LOCATPMAZMKBRB-IRXDYDNUSA-N 0 3 362.477 3.399 20 30 FGEDHN C[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000469716972 502515214 /nfs/dbraw/zinc/51/52/14/502515214.db2.gz WWWOXNOYEACKDY-INIZCTEOSA-N 0 3 351.425 3.434 20 30 FGEDHN COCCOc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(Cl)c1 ZINC000473489503 502608421 /nfs/dbraw/zinc/60/84/21/502608421.db2.gz KNIDFQHANFTRNY-OAHLLOKOSA-N 0 3 359.813 3.262 20 30 FGEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000477070269 502669441 /nfs/dbraw/zinc/66/94/41/502669441.db2.gz DSQOBIIXYPTGCA-PVPMGCCUSA-N 0 3 369.490 3.317 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])cnc1NCC1(N2CCSCC2)CCCCC1 ZINC000484563066 502670809 /nfs/dbraw/zinc/67/08/09/502670809.db2.gz CGAZVDYWKDNICS-UHFFFAOYSA-N 0 3 361.471 3.025 20 30 FGEDHN C=C(C)CN(CC)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000477196998 502705968 /nfs/dbraw/zinc/70/59/68/502705968.db2.gz UMKIBWJAKSWPBH-HXUWFJFHSA-N 0 3 371.525 3.000 20 30 FGEDHN C=CCn1c(SC[C@H]2CCN(C)C2)nnc1[C@H]1COc2ccccc2O1 ZINC000473798709 502709585 /nfs/dbraw/zinc/70/95/85/502709585.db2.gz OMMGEAABTDXCSN-WMLDXEAASA-N 0 3 372.494 3.020 20 30 FGEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 ZINC000488461627 502721354 /nfs/dbraw/zinc/72/13/54/502721354.db2.gz GYQWLMGAOBWVOP-RTWAWAEBSA-N 0 3 363.461 3.409 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C)CCCCC2)cc1 ZINC000480996645 502724256 /nfs/dbraw/zinc/72/42/56/502724256.db2.gz FAODKCVMNFOYIL-AWEZNQCLSA-N 0 3 363.483 3.464 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCC2CCCC2)cc1 ZINC000481007128 502726146 /nfs/dbraw/zinc/72/61/46/502726146.db2.gz YJNSVKGTZRZRRZ-AWEZNQCLSA-N 0 3 363.483 3.464 20 30 FGEDHN CN(C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463431261 502799235 /nfs/dbraw/zinc/79/92/35/502799235.db2.gz AENVCNHIVDCIFC-UAGQMJEPSA-N 0 3 356.388 3.351 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444131 502808393 /nfs/dbraw/zinc/80/83/93/502808393.db2.gz QJHNODPQWBONAC-QFIPXVFZSA-N 0 3 350.462 3.384 20 30 FGEDHN CN(C)C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000488913551 502836695 /nfs/dbraw/zinc/83/66/95/502836695.db2.gz PGBSFRCKODAHAD-AZUAARDMSA-N 0 3 353.441 3.317 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCC#Cc2cccc(F)c2)[C@H](C(F)(F)F)C1 ZINC000513155248 502865761 /nfs/dbraw/zinc/86/57/61/502865761.db2.gz VJHVVFMAUMRDQQ-HZPDHXFCSA-N 0 3 370.390 3.202 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000489199584 502899414 /nfs/dbraw/zinc/89/94/14/502899414.db2.gz KCBUNGYCKYKYLJ-ZWKOTPCHSA-N 0 3 351.535 3.310 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000505558994 502935889 /nfs/dbraw/zinc/93/58/89/502935889.db2.gz HRRQYTHKQLTJBV-DLBZAZTESA-N 0 3 357.498 3.304 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000505596777 502944506 /nfs/dbraw/zinc/94/45/06/502944506.db2.gz NRLGTYYENZPGGI-FTRWYGJKSA-N 0 3 351.450 3.133 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000497408801 502952205 /nfs/dbraw/zinc/95/22/05/502952205.db2.gz YYTFCOFLJUXJTK-IBGZPJMESA-N 0 3 355.482 3.193 20 30 FGEDHN C=CCCCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000489489820 502971535 /nfs/dbraw/zinc/97/15/35/502971535.db2.gz MSLHSYPUNXQOEL-PKOBYXMFSA-N 0 3 350.528 3.267 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509715804 502973995 /nfs/dbraw/zinc/97/39/95/502973995.db2.gz PEJDKHXNMXODBS-MAUKXSAKSA-N 0 3 367.415 3.449 20 30 FGEDHN Cc1[nH]ncc1CN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000602939312 506359195 /nfs/dbraw/zinc/35/91/95/506359195.db2.gz BAGHJXRROXUAFC-UHFFFAOYSA-N 0 3 368.485 3.194 20 30 FGEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2n[nH]cc2c1 ZINC000507214233 503251959 /nfs/dbraw/zinc/25/19/59/503251959.db2.gz QEMYCPQLGWURIA-VLIAUNLRSA-N 0 3 359.433 3.281 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC(C3(O)CC3)CC2)sc2c1CCCC2 ZINC000593051333 506361002 /nfs/dbraw/zinc/36/10/02/506361002.db2.gz MXBCNPPOBMDWPD-UHFFFAOYSA-N 0 3 373.522 3.064 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000511233834 503284950 /nfs/dbraw/zinc/28/49/50/503284950.db2.gz YFFGRCVAOXEECI-HNNXBMFYSA-N 0 3 373.334 3.297 20 30 FGEDHN C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507443369 503300028 /nfs/dbraw/zinc/30/00/28/503300028.db2.gz MMOZABRSDGIIHM-FOIQADDNSA-N 0 3 351.425 3.414 20 30 FGEDHN COC(=O)c1ccc(NC2CCN([C@@H](C)c3ccccc3)CC2)c(C#N)n1 ZINC000515311645 503312375 /nfs/dbraw/zinc/31/23/75/503312375.db2.gz QZZUCJJCCVCFHI-HNNXBMFYSA-N 0 3 364.449 3.377 20 30 FGEDHN CN(CCN1CCN(c2c(F)cc(C#N)cc2F)CC1)Cc1ccccc1 ZINC000511464568 503326245 /nfs/dbraw/zinc/32/62/45/503326245.db2.gz PYKONZIHJSITAP-UHFFFAOYSA-N 0 3 370.447 3.090 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000499211820 503356291 /nfs/dbraw/zinc/35/62/91/503356291.db2.gz IPLNVFYEHPYFQB-LPHOPBHVSA-N 0 3 359.518 3.034 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N(CCC)CCN1CCCC1 ZINC000507757423 503361326 /nfs/dbraw/zinc/36/13/26/503361326.db2.gz UYIYCFVKLBQDKZ-UHFFFAOYSA-N 0 3 357.498 3.078 20 30 FGEDHN N#Cc1ccc(OCCN[C@@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000503202472 503365859 /nfs/dbraw/zinc/36/58/59/503365859.db2.gz GHYRFOMFCBITGD-NRFANRHFSA-N 0 3 359.429 3.130 20 30 FGEDHN CCN(CCC#N)C(=O)CN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000515560146 503365911 /nfs/dbraw/zinc/36/59/11/503365911.db2.gz ZTYSEOODWMBJJP-NRFANRHFSA-N 0 3 365.477 3.331 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNc1cc(C)nc(-c2cccnc2)n1)C(C)C ZINC000515582347 503368572 /nfs/dbraw/zinc/36/85/72/503368572.db2.gz AWGLMFUKTSZXOC-IBGZPJMESA-N 0 3 351.498 3.379 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@H](c2ccc(CC)cc2)N(C)C)nc1 ZINC000492888497 503391494 /nfs/dbraw/zinc/39/14/94/503391494.db2.gz DFISUSCGMRANAB-LJQANCHMSA-N 0 3 352.482 3.275 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCOCc2ccccc2)CC1 ZINC000493879465 503452214 /nfs/dbraw/zinc/45/22/14/503452214.db2.gz XJNHUOADQCSUFQ-GOSISDBHSA-N 0 3 359.514 3.322 20 30 FGEDHN CN(Cc1cccc(C#N)c1F)C1CCN(CCc2ccccn2)CC1 ZINC000512427439 503546754 /nfs/dbraw/zinc/54/67/54/503546754.db2.gz LPIOKBNIHMSXQD-UHFFFAOYSA-N 0 3 352.457 3.231 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000516688351 503569498 /nfs/dbraw/zinc/56/94/98/503569498.db2.gz CRNUHIPEAMSFCI-QFIPXVFZSA-N 0 3 361.445 3.357 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccco1 ZINC000504419590 503571878 /nfs/dbraw/zinc/57/18/78/503571878.db2.gz PHRMPAIAONJFEZ-YJBOKZPZSA-N 0 3 357.429 3.199 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000516800900 503590620 /nfs/dbraw/zinc/59/06/20/503590620.db2.gz GBMKCAGTCGSLKS-LAUBAEHRSA-N 0 3 374.488 3.367 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508907401 503596932 /nfs/dbraw/zinc/59/69/32/503596932.db2.gz MNWRIDLAMBQJDK-LJQANCHMSA-N 0 3 353.514 3.140 20 30 FGEDHN C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508919358 503600362 /nfs/dbraw/zinc/60/03/62/503600362.db2.gz HKKPOCCZHFDBMK-KRWDZBQOSA-N 0 3 357.527 3.181 20 30 FGEDHN C=CCn1c(Cc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508954436 503607229 /nfs/dbraw/zinc/60/72/29/503607229.db2.gz XMTQLVODSJJIJN-UHFFFAOYSA-N 0 3 368.529 3.008 20 30 FGEDHN CCN(C(=O)c1ncc(C#N)cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546209141 503671871 /nfs/dbraw/zinc/67/18/71/503671871.db2.gz YFNOJLPHVAAEDG-QGZVFWFLSA-N 0 3 368.868 3.343 20 30 FGEDHN C=CC[C@@H](CO)CNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000540325627 503737178 /nfs/dbraw/zinc/73/71/78/503737178.db2.gz RFWWZCKCMNLOSQ-GFCCVEGCSA-N 0 3 350.260 3.113 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000543541477 503806469 /nfs/dbraw/zinc/80/64/69/503806469.db2.gz PNOLRYUWAWPHFQ-JLHGSKIFSA-N 0 3 363.461 3.476 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(CC1CC1)C(C)C ZINC000533358842 503815925 /nfs/dbraw/zinc/81/59/25/503815925.db2.gz BYUNWUYKGPGTLB-UHFFFAOYSA-N 0 3 360.502 3.072 20 30 FGEDHN C=CCN(Cc1ccc2c(c1)ncn2C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537180633 503829303 /nfs/dbraw/zinc/82/93/03/503829303.db2.gz KSPOCJKRQZPPLA-INIZCTEOSA-N 0 3 373.464 3.298 20 30 FGEDHN Cc1cc(C)c(C(=O)NC2CCN(Cc3ccc(CC#N)cc3)CC2)o1 ZINC000527578462 503841036 /nfs/dbraw/zinc/84/10/36/503841036.db2.gz VAFBGZXZXYGUJS-UHFFFAOYSA-N 0 3 351.450 3.357 20 30 FGEDHN COc1cc(CN2CC[C@@H](NCc3ccc(C#N)cc3F)C2)cc(OC)c1 ZINC000533446949 503849751 /nfs/dbraw/zinc/84/97/51/503849751.db2.gz QPKFRLVHEDJLPY-GOSISDBHSA-N 0 3 369.440 3.079 20 30 FGEDHN COc1cc(C)nc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000540768001 503884203 /nfs/dbraw/zinc/88/42/03/503884203.db2.gz GBVYKFDUYUTWOL-UHFFFAOYSA-N 0 3 352.438 3.145 20 30 FGEDHN COCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543861610 503919662 /nfs/dbraw/zinc/91/96/62/503919662.db2.gz VRHZNUIFKPYXJD-IAGOWNOFSA-N 0 3 365.477 3.417 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(Br)c2C)CC1 ZINC000518214150 503928061 /nfs/dbraw/zinc/92/80/61/503928061.db2.gz ZEDMFWLFLWEQLT-UHFFFAOYSA-N 0 3 366.303 3.207 20 30 FGEDHN N#Cc1ccc(C2(NCc3ccc(N4CCCC4)nc3)CCOCC2)cc1 ZINC000527811898 503955669 /nfs/dbraw/zinc/95/56/69/503955669.db2.gz QDNPOGSNTCOPSC-UHFFFAOYSA-N 0 3 362.477 3.349 20 30 FGEDHN CC(C)(CNCc1ccc(C#N)cc1C(F)(F)F)C(=O)N1CCCC1 ZINC000527813900 503957334 /nfs/dbraw/zinc/95/73/34/503957334.db2.gz WKCSJASBNFAYRO-UHFFFAOYSA-N 0 3 353.388 3.315 20 30 FGEDHN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@@H](C)CN1Cc1ccccc1 ZINC000537615173 503974892 /nfs/dbraw/zinc/97/48/92/503974892.db2.gz WERVLJSZYPFQIS-MSOLQXFVSA-N 0 3 359.477 3.301 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000530551503 504006053 /nfs/dbraw/zinc/00/60/53/504006053.db2.gz AUPHRWUATJUSSL-MRXNPFEDSA-N 0 3 357.498 3.078 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1C#N ZINC000518542300 504012314 /nfs/dbraw/zinc/01/23/14/504012314.db2.gz PNXYOSGSOPXHRS-SFHVURJKSA-N 0 3 355.467 3.109 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccccc2C#N)cc1 ZINC000528345540 504179666 /nfs/dbraw/zinc/17/96/66/504179666.db2.gz JUYMYROJXHKCJW-UYAOXDASSA-N 0 3 352.434 3.144 20 30 FGEDHN C[C@@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000538397170 504234658 /nfs/dbraw/zinc/23/46/58/504234658.db2.gz SIFXMSGILPHFKO-VQIMIIECSA-N 0 3 354.523 3.259 20 30 FGEDHN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000544815057 504267530 /nfs/dbraw/zinc/26/75/30/504267530.db2.gz UQLHNZXZGONNRW-MRXNPFEDSA-N 0 3 350.422 3.085 20 30 FGEDHN N#Cc1ccccc1OCc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000544815878 504269137 /nfs/dbraw/zinc/26/91/37/504269137.db2.gz GDNXUBWRQUSRDA-SFHVURJKSA-N 0 3 354.369 3.417 20 30 FGEDHN COC[C@](C)(CCO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000531410156 504297273 /nfs/dbraw/zinc/29/72/73/504297273.db2.gz ZPYQCELUCKYMPO-NRFANRHFSA-N 0 3 354.450 3.014 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)cc1 ZINC000541928916 504306168 /nfs/dbraw/zinc/30/61/68/504306168.db2.gz KQUBMCCCFBAECO-HXUWFJFHSA-N 0 3 374.488 3.238 20 30 FGEDHN N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1C1CCOCC1 ZINC000538627523 504308830 /nfs/dbraw/zinc/30/88/30/504308830.db2.gz ISSIMYGWKXNYRI-QGZVFWFLSA-N 0 3 359.495 3.132 20 30 FGEDHN COC(=O)c1ccc2c(c1)CN(CCCOc1cccc(C#N)c1)CC2 ZINC000538944773 504426023 /nfs/dbraw/zinc/42/60/23/504426023.db2.gz TUIAIJWRUSKJLL-UHFFFAOYSA-N 0 3 350.418 3.172 20 30 FGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528915066 504447823 /nfs/dbraw/zinc/44/78/23/504447823.db2.gz DEGMOYIJUZAUJB-QYZOEREBSA-N 0 3 350.393 3.345 20 30 FGEDHN CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)C(=O)CO3)n1 ZINC000528967308 504473261 /nfs/dbraw/zinc/47/32/61/504473261.db2.gz ZSMPQGMYNDXDPK-LBPRGKRZSA-N 0 3 355.419 3.112 20 30 FGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 ZINC000528967308 504473264 /nfs/dbraw/zinc/47/32/64/504473264.db2.gz ZSMPQGMYNDXDPK-LBPRGKRZSA-N 0 3 355.419 3.112 20 30 FGEDHN C=CC[C@@H](CO)CNCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000539226861 504503022 /nfs/dbraw/zinc/50/30/22/504503022.db2.gz PVDOHEOXWLATQD-QGZVFWFLSA-N 0 3 354.450 3.222 20 30 FGEDHN COCc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000529212428 504586879 /nfs/dbraw/zinc/58/68/79/504586879.db2.gz LORWADQQGFTFBI-VQTJNVASSA-N 0 3 364.449 3.272 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccnc4ccccc34)C2=O)cc1 ZINC000542814658 504622649 /nfs/dbraw/zinc/62/26/49/504622649.db2.gz CYVZFPFSDZXEHS-OAQYLSRUSA-N 0 3 356.429 3.392 20 30 FGEDHN CCO[C@H]1COCC[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000546054972 504691248 /nfs/dbraw/zinc/69/12/48/504691248.db2.gz BQFPTCZMFRWOMV-YADHBBJMSA-N 0 3 366.461 3.421 20 30 FGEDHN CCCN(CCC)C(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000546154384 504729107 /nfs/dbraw/zinc/72/91/07/504729107.db2.gz WLOVFOZBGNGSEJ-QGZVFWFLSA-N 0 3 350.422 3.229 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1)OCC ZINC000565085485 504789830 /nfs/dbraw/zinc/78/98/30/504789830.db2.gz BJVXJHPKFHRETK-FUHWJXTLSA-N 0 3 352.906 3.473 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)C(C)C ZINC000556127382 504802302 /nfs/dbraw/zinc/80/23/02/504802302.db2.gz LWOGWWMLOJTLEA-IBGZPJMESA-N 0 3 369.509 3.345 20 30 FGEDHN C=CCCC1(C(=O)N2CCC[C@H](c3n[nH]cc3CN3CCCC3)C2)CC1 ZINC000553180021 504845838 /nfs/dbraw/zinc/84/58/38/504845838.db2.gz MUWIPKDGMHJDRQ-KRWDZBQOSA-N 0 3 356.514 3.458 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N[C@H]3C[C@@H](C)N(C4CC4)C3)c2c1 ZINC000553448392 504917895 /nfs/dbraw/zinc/91/78/95/504917895.db2.gz YGQXTGSXKJNSRZ-OCCSQVGLSA-N 0 3 352.438 3.161 20 30 FGEDHN C=CCOCCN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000549919307 504934156 /nfs/dbraw/zinc/93/41/56/504934156.db2.gz RAOKNEMCHDBLFW-UHFFFAOYSA-N 0 3 367.287 3.302 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000556808492 504981623 /nfs/dbraw/zinc/98/16/23/504981623.db2.gz QVXFIJVKLSZGKJ-BHIFYINESA-N 0 3 359.473 3.443 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000560149473 505004460 /nfs/dbraw/zinc/00/44/60/505004460.db2.gz ZVMHHCAZWBXWQW-QHCPKHFHSA-N 0 3 374.488 3.390 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000556883967 505005254 /nfs/dbraw/zinc/00/52/54/505005254.db2.gz IRADXIYFCFZEJR-HMXCVIKNSA-N 0 3 363.461 3.438 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000556883966 505006068 /nfs/dbraw/zinc/00/60/68/505006068.db2.gz IRADXIYFCFZEJR-HLAWJBBLSA-N 0 3 363.461 3.438 20 30 FGEDHN N#Cc1cscc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000550441479 505044733 /nfs/dbraw/zinc/04/47/33/505044733.db2.gz IWOVHMNBDLHWRL-UHFFFAOYSA-N 0 3 351.475 3.283 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ccc(C#N)c(C)n3)C2)s1 ZINC000560484473 505099746 /nfs/dbraw/zinc/09/97/46/505099746.db2.gz ZKNKRUYRERJCQR-MRXNPFEDSA-N 0 3 368.506 3.226 20 30 FGEDHN Cc1sc(NC(=O)CN(C)CCCN(C)Cc2ccco2)c(C#N)c1C ZINC000560538887 505118857 /nfs/dbraw/zinc/11/88/57/505118857.db2.gz WEWTZXCJKUEZEW-UHFFFAOYSA-N 0 3 374.510 3.222 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000566295072 505136791 /nfs/dbraw/zinc/13/67/91/505136791.db2.gz NERHSSSCOCUZSF-IBGZPJMESA-N 0 3 355.413 3.298 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3ncc(C#N)cc3C)C2)s1 ZINC000566347815 505150445 /nfs/dbraw/zinc/15/04/45/505150445.db2.gz AEZQTGPZDIQVKO-INIZCTEOSA-N 0 3 368.506 3.226 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000557537891 505160995 /nfs/dbraw/zinc/16/09/95/505160995.db2.gz KCFFZYIPGKSHQM-CZUORRHYSA-N 0 3 351.410 3.296 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@H]2c2ccccc2)nc1 ZINC000563564790 505178570 /nfs/dbraw/zinc/17/85/70/505178570.db2.gz LPTORNDLPDCFMA-RBUKOAKNSA-N 0 3 369.490 3.043 20 30 FGEDHN Cc1cccc(C(=O)NCCNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000563575151 505180855 /nfs/dbraw/zinc/18/08/55/505180855.db2.gz UTFJLGMFHNOQCH-UHFFFAOYSA-N 0 3 361.367 3.405 20 30 FGEDHN C[C@@H]1CN(CCCCNc2nc3cc(Cl)ccn3c2C#N)C[C@H](C)O1 ZINC000557607769 505181392 /nfs/dbraw/zinc/18/13/92/505181392.db2.gz VXKBOHWXQOFPLX-OKILXGFUSA-N 0 3 361.877 3.161 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)CCC2CCCCC2)CC1 ZINC000557768872 505226222 /nfs/dbraw/zinc/22/62/22/505226222.db2.gz KFMGVKROMNDPBF-QGZVFWFLSA-N 0 3 363.546 3.008 20 30 FGEDHN CN1CC[C@]2(CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)C1 ZINC000558033517 505293696 /nfs/dbraw/zinc/29/36/96/505293696.db2.gz QABHLOMKDFYKCS-QFIPXVFZSA-N 0 3 360.461 3.470 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)CCC(=O)Nc1ccccc1F ZINC000558171704 505326311 /nfs/dbraw/zinc/32/63/11/505326311.db2.gz BEEKYBQPOITMNB-UHFFFAOYSA-N 0 3 355.413 3.175 20 30 FGEDHN C=CCN(CCc1ccccc1)C(=O)NCC1(SC)CCN(C)CC1 ZINC000564139189 505335806 /nfs/dbraw/zinc/33/58/06/505335806.db2.gz NBBJMZSJGRFGLU-UHFFFAOYSA-N 0 3 361.555 3.254 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC000564204121 505351782 /nfs/dbraw/zinc/35/17/82/505351782.db2.gz LVOWGSALCFHQCC-WKILWMFISA-N 0 3 358.438 3.007 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(SC)CCN(C)CC1 ZINC000567157737 505380132 /nfs/dbraw/zinc/38/01/32/505380132.db2.gz WBAWAKAHIRJSAN-UHFFFAOYSA-N 0 3 374.554 3.307 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000558455936 505394796 /nfs/dbraw/zinc/39/47/96/505394796.db2.gz NLMMGPAOYSCTKF-QZTJIDSGSA-N 0 3 369.513 3.100 20 30 FGEDHN C=CCOc1ccccc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000552200690 505427905 /nfs/dbraw/zinc/42/79/05/505427905.db2.gz MMHQKOMIGUKLEF-GOSISDBHSA-N 0 3 352.434 3.070 20 30 FGEDHN CCN(CCCN1CCC(C#N)(c2ccccn2)CC1)CC(F)(F)F ZINC000558627868 505444137 /nfs/dbraw/zinc/44/41/37/505444137.db2.gz DWYJREVXVOMDNS-UHFFFAOYSA-N 0 3 354.420 3.213 20 30 FGEDHN CN(CCCN(C)Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccco1 ZINC000552271251 505446699 /nfs/dbraw/zinc/44/66/99/505446699.db2.gz ZLKZHZILZUIOGH-UHFFFAOYSA-N 0 3 365.437 3.155 20 30 FGEDHN C=CCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552321374 505459350 /nfs/dbraw/zinc/45/93/50/505459350.db2.gz PBKOTZCHIJTOFR-LLVKDONJSA-N 0 3 351.299 3.216 20 30 FGEDHN Cc1ccc(SCCNC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000558751051 505483001 /nfs/dbraw/zinc/48/30/01/505483001.db2.gz ZEHRQCLGACTAOU-SFHVURJKSA-N 0 3 356.491 3.183 20 30 FGEDHN CN1C[C@@H]2CCCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)[C@@H]2C1 ZINC000564652096 505483695 /nfs/dbraw/zinc/48/36/95/505483695.db2.gz UEDQVWCYHAXLAS-RBBKRZOGSA-N 0 3 374.488 3.461 20 30 FGEDHN COc1ccc2c(c1)C1(CC1)CN(CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000562059503 505506202 /nfs/dbraw/zinc/50/62/02/505506202.db2.gz GDABUUPLKVCWET-UHFFFAOYSA-N 0 3 361.445 3.443 20 30 FGEDHN C=CCC(CC=C)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000552637209 505525261 /nfs/dbraw/zinc/52/52/61/505525261.db2.gz PKZWWMUCGKGTBC-QFIPXVFZSA-N 0 3 367.537 3.174 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2ccccc2C(F)(F)F)cc1F ZINC000567697977 505540282 /nfs/dbraw/zinc/54/02/82/505540282.db2.gz SFZYAKFEYSQXKO-AWEZNQCLSA-N 0 3 368.330 3.246 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000564859508 505541435 /nfs/dbraw/zinc/54/14/35/505541435.db2.gz FSMWHMYYLVLKAD-NQIIRXRSSA-N 0 3 354.425 3.242 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2Cc2ccccc2Cl)CCOCC1 ZINC000599271113 506391877 /nfs/dbraw/zinc/39/18/77/506391877.db2.gz UTUMVKHWQXANGK-QZTJIDSGSA-N 0 3 362.901 3.418 20 30 FGEDHN Cc1c(C#N)c(NCc2ccc(CN3CC[C@H](O)C3)cc2)nc2ccccc12 ZINC000596423535 506398242 /nfs/dbraw/zinc/39/82/42/506398242.db2.gz LABDKDBCUKQXJE-IBGZPJMESA-N 0 3 372.472 3.016 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccccc1OC(F)F ZINC000599347234 506421092 /nfs/dbraw/zinc/42/10/92/506421092.db2.gz FFHQKTJHIBNAQQ-HIFRSBDPSA-N 0 3 362.376 3.250 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000599390556 506438300 /nfs/dbraw/zinc/43/83/00/506438300.db2.gz MWKONUKJMSCWFW-SMDDNHRTSA-N 0 3 362.779 3.037 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCOCC1 ZINC000599402090 506443148 /nfs/dbraw/zinc/44/31/48/506443148.db2.gz IQDGKLXOZMWMAW-HUUCEWRRSA-N 0 3 360.420 3.112 20 30 FGEDHN CC[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(OC)c(OC)c1 ZINC000599414580 506446369 /nfs/dbraw/zinc/44/63/69/506446369.db2.gz GNNQUYJLAOMXEI-QZTJIDSGSA-N 0 3 370.449 3.056 20 30 FGEDHN CC[C@H](c1cccc(OC)c1)N(C)C[C@H](O)COc1ccccc1C#N ZINC000599421035 506449136 /nfs/dbraw/zinc/44/91/36/506449136.db2.gz KXGWWCBHMRYITJ-AZUAARDMSA-N 0 3 354.450 3.390 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000596600161 506483277 /nfs/dbraw/zinc/48/32/77/506483277.db2.gz BIPATNJGVGRSGY-QUCCMNQESA-N 0 3 358.486 3.022 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000603444610 506514671 /nfs/dbraw/zinc/51/46/71/506514671.db2.gz NEYSUYMWVZWENG-CHWSQXEVSA-N 0 3 372.494 3.169 20 30 FGEDHN CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CCN(C)C1 ZINC000596684591 506535576 /nfs/dbraw/zinc/53/55/76/506535576.db2.gz VRGXLKSRRUPDKU-KRWDZBQOSA-N 0 3 365.437 3.303 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599625763 506536539 /nfs/dbraw/zinc/53/65/39/506536539.db2.gz OJBXKCQUDWFULQ-SXPCIFIFSA-N 0 3 361.511 3.421 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000593319401 506537501 /nfs/dbraw/zinc/53/75/01/506537501.db2.gz IDAGKDKRYNAQMX-UZLBHIALSA-N 0 3 360.461 3.419 20 30 FGEDHN CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCN(CC)C1 ZINC000596723554 506560846 /nfs/dbraw/zinc/56/08/46/506560846.db2.gz KIEXLCICTHRCCR-ZDUSSCGKSA-N 0 3 352.385 3.108 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCc1ccccc1OCCN(C)C ZINC000589567734 506588642 /nfs/dbraw/zinc/58/86/42/506588642.db2.gz RCEIZLYKPBFXOI-UHFFFAOYSA-N 0 3 360.461 3.389 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1(C#N)CCCC1 ZINC000593426724 506613410 /nfs/dbraw/zinc/61/34/10/506613410.db2.gz BWYAYEKTBNOUJX-UHFFFAOYSA-N 0 3 364.440 3.122 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)NCC2(C#N)CCCCC2)c1 ZINC000596865066 506644991 /nfs/dbraw/zinc/64/49/91/506644991.db2.gz YIWOCUVOCPBQLY-UHFFFAOYSA-N 0 3 372.513 3.242 20 30 FGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000596904965 506667124 /nfs/dbraw/zinc/66/71/24/506667124.db2.gz RJLSHZYIIMVXOD-ZDUSSCGKSA-N 0 3 365.275 3.315 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000589920914 506679214 /nfs/dbraw/zinc/67/92/14/506679214.db2.gz ASGKCAHKLAIVHG-ZWKOTPCHSA-N 0 3 356.853 3.305 20 30 FGEDHN N#CC1(c2ccc(CN3CCC(C(=O)N4CCCCC4)CC3)cc2)CC1 ZINC000596980454 506710879 /nfs/dbraw/zinc/71/08/79/506710879.db2.gz OEMOTUZRNBKRHP-UHFFFAOYSA-N 0 3 351.494 3.466 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](Nc1cccc(CN3CCC(C(N)=O)CC3)c1)CC2 ZINC000583410975 506762781 /nfs/dbraw/zinc/76/27/81/506762781.db2.gz ONPRYZHHVTYXAB-JOCHJYFZSA-N 0 3 374.488 3.355 20 30 FGEDHN CN(CCn1cc(Br)cn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132572 506794148 /nfs/dbraw/zinc/79/41/48/506794148.db2.gz JJHCNIVTIVUSQA-UHFFFAOYSA-N 0 3 359.271 3.333 20 30 FGEDHN C[C@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CCN(C2CCC2)C1 ZINC000590452385 506827505 /nfs/dbraw/zinc/82/75/05/506827505.db2.gz VLPORFJBHWIOEO-MRXNPFEDSA-N 0 3 350.466 3.111 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000600227712 506859456 /nfs/dbraw/zinc/85/94/56/506859456.db2.gz FECUKNIZXMCROM-LEWJYISDSA-N 0 3 366.509 3.050 20 30 FGEDHN COc1ccc(C2(NCCOc3ccccc3C#N)CCOCC2)cc1 ZINC000609358202 506864688 /nfs/dbraw/zinc/86/46/88/506864688.db2.gz RJPHVEAHDZMZKN-UHFFFAOYSA-N 0 3 352.434 3.241 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)CC2 ZINC000583594976 506866560 /nfs/dbraw/zinc/86/65/60/506866560.db2.gz WPAFAHMMXNKFEE-NJAFHUGGSA-N 0 3 350.422 3.316 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)NC(=O)Nc3ccccc3)CCC2)cc1 ZINC000594032054 506896721 /nfs/dbraw/zinc/89/67/21/506896721.db2.gz BONDMQAROFRTKQ-UHFFFAOYSA-N 0 3 362.433 3.265 20 30 FGEDHN C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000609500678 506901609 /nfs/dbraw/zinc/90/16/09/506901609.db2.gz JVUKQOMWESXUMU-ZWKOTPCHSA-N 0 3 357.498 3.486 20 30 FGEDHN C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)N(C)Cc1ccccc1 ZINC000609506237 506902597 /nfs/dbraw/zinc/90/25/97/506902597.db2.gz OEVUXKMOCPKFNR-KRWDZBQOSA-N 0 3 360.461 3.415 20 30 FGEDHN C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)N(C)Cc1ccccc1 ZINC000609506239 506902987 /nfs/dbraw/zinc/90/29/87/506902987.db2.gz OEVUXKMOCPKFNR-QGZVFWFLSA-N 0 3 360.461 3.415 20 30 FGEDHN CC(C)N1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000609517640 506906675 /nfs/dbraw/zinc/90/66/75/506906675.db2.gz FLVVNEKXZQIVJF-UHFFFAOYSA-N 0 3 364.449 3.302 20 30 FGEDHN CC1(C)CN(c2ccc(C#N)nn2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000590710096 506919325 /nfs/dbraw/zinc/91/93/25/506919325.db2.gz FBQFLKVTONBHIO-OAQYLSRUSA-N 0 3 361.493 3.475 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNCCN2CCSCC2)c1 ZINC000609571458 506926419 /nfs/dbraw/zinc/92/64/19/506926419.db2.gz FETLNJMBPSQYJI-UHFFFAOYSA-N 0 3 367.518 3.276 20 30 FGEDHN CC[C@@H](C#N)N(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000594093723 506935208 /nfs/dbraw/zinc/93/52/08/506935208.db2.gz FALWRQGHRRPGLQ-DOTOQJQBSA-N 0 3 353.388 3.202 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000583743347 506948384 /nfs/dbraw/zinc/94/83/84/506948384.db2.gz IDWVSSUNRFZFCF-UYAOXDASSA-N 0 3 368.868 3.185 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000613255529 506995922 /nfs/dbraw/zinc/99/59/22/506995922.db2.gz VNGHDQFJOVRQFJ-VHDGCEQUSA-N 0 3 351.372 3.483 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCCCC2)O1 ZINC000594204481 507006360 /nfs/dbraw/zinc/00/63/60/507006360.db2.gz QSXQVAWTIDXELY-VQIMIIECSA-N 0 3 351.450 3.191 20 30 FGEDHN C[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCC[C@H](C)C1 ZINC000594208620 507010234 /nfs/dbraw/zinc/01/02/34/507010234.db2.gz HEXJRSPHNCRPQI-IRXDYDNUSA-N 0 3 354.498 3.357 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](c3ccco3)C2)c(OC)c1 ZINC000600684400 507065526 /nfs/dbraw/zinc/06/55/26/507065526.db2.gz FQTCLGIDCLPIQF-ZWKOTPCHSA-N 0 3 357.450 3.246 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)c(C(=O)OCC)s2)CC1 ZINC000610018151 507074083 /nfs/dbraw/zinc/07/40/83/507074083.db2.gz NWDTXFDWQNYWPI-UHFFFAOYSA-N 0 3 351.472 3.005 20 30 FGEDHN Cc1ccc(CNC[C@H](O)COc2ccccc2C#N)c(OCC2CC2)c1 ZINC000600732091 507088709 /nfs/dbraw/zinc/08/87/09/507088709.db2.gz WSTGGDTVGIJRJS-FQEVSTJZSA-N 0 3 366.461 3.185 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000600733552 507090266 /nfs/dbraw/zinc/09/02/66/507090266.db2.gz KFUFRHLDNLKRAP-WCQYABFASA-N 0 3 353.285 3.240 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000591062227 507096293 /nfs/dbraw/zinc/09/62/93/507096293.db2.gz YGUZLAVDTWWMFD-FUHWJXTLSA-N 0 3 355.482 3.452 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2csc(C(F)(F)F)c2)cc1 ZINC000600760570 507105300 /nfs/dbraw/zinc/10/53/00/507105300.db2.gz VTZQWPZVBJOTAL-CYBMUJFWSA-N 0 3 356.369 3.168 20 30 FGEDHN CC(C)[C@H](CNC(=O)C(C#N)CCc1ccccc1)C(=O)OC(C)(C)C ZINC000594392240 507109637 /nfs/dbraw/zinc/10/96/37/507109637.db2.gz GPZMBMGAYSQINR-ROUUACIJSA-N 0 3 358.482 3.489 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000594426117 507127637 /nfs/dbraw/zinc/12/76/37/507127637.db2.gz CSOQSMIOLPCNOO-HXUWFJFHSA-N 0 3 351.450 3.293 20 30 FGEDHN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@H](N)CCCCC#N ZINC000594430665 507128614 /nfs/dbraw/zinc/12/86/14/507128614.db2.gz AMEZSEVPMFLEII-GOSISDBHSA-N 0 3 354.454 3.144 20 30 FGEDHN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H](N)CCCCC#N ZINC000594430914 507129709 /nfs/dbraw/zinc/12/97/09/507129709.db2.gz DCKZQMRYFDLQHG-RBUKOAKNSA-N 0 3 365.481 3.467 20 30 FGEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H](N)CCCCC#N ZINC000594431735 507129827 /nfs/dbraw/zinc/12/98/27/507129827.db2.gz QOQXNPYTXLZMFO-SFHVURJKSA-N 0 3 371.460 3.018 20 30 FGEDHN COc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1OC1CCCC1 ZINC000594434198 507130596 /nfs/dbraw/zinc/13/05/96/507130596.db2.gz LIALKOLZHMRQOQ-KRWDZBQOSA-N 0 3 359.470 3.044 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000594435935 507130960 /nfs/dbraw/zinc/13/09/60/507130960.db2.gz BDOKHIAHGNSYNV-QGZVFWFLSA-N 0 3 356.401 3.040 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000594439238 507132627 /nfs/dbraw/zinc/13/26/27/507132627.db2.gz OUDDUYMSHQQPPM-HZPDHXFCSA-N 0 3 351.397 3.193 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000594445852 507137599 /nfs/dbraw/zinc/13/75/99/507137599.db2.gz LIQZZTHSXYWYJH-HNNXBMFYSA-N 0 3 362.886 3.491 20 30 FGEDHN Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1OCC1CCOCC1 ZINC000594447855 507138971 /nfs/dbraw/zinc/13/89/71/507138971.db2.gz WBCWOKKBLAJQRE-GOSISDBHSA-N 0 3 359.470 3.150 20 30 FGEDHN C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000597914365 507171023 /nfs/dbraw/zinc/17/10/23/507171023.db2.gz UXWGQAXEKLUFLL-NQIIRXRSSA-N 0 3 353.510 3.482 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000591350835 507216869 /nfs/dbraw/zinc/21/68/69/507216869.db2.gz HZYWHDHLXRSBNN-LJQANCHMSA-N 0 3 354.429 3.320 20 30 FGEDHN C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000610400184 507226969 /nfs/dbraw/zinc/22/69/69/507226969.db2.gz PDPSENKMAJHQGP-OXQOHEQNSA-N 0 3 350.466 3.091 20 30 FGEDHN C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000610400185 507227162 /nfs/dbraw/zinc/22/71/62/507227162.db2.gz PDPSENKMAJHQGP-UZLBHIALSA-N 0 3 350.466 3.091 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000610433133 507237525 /nfs/dbraw/zinc/23/75/25/507237525.db2.gz ZTUIACJBEZWZCY-HXUWFJFHSA-N 0 3 359.433 3.114 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000591407599 507238961 /nfs/dbraw/zinc/23/89/61/507238961.db2.gz VPGTVOLZTJRSGH-ICSRJNTNSA-N 0 3 352.482 3.205 20 30 FGEDHN C[C@H](NCc1ccc(OCCN2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000601099813 507260779 /nfs/dbraw/zinc/26/07/79/507260779.db2.gz ADVCODGQAHAUQC-SFHVURJKSA-N 0 3 365.477 3.120 20 30 FGEDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511627 507271695 /nfs/dbraw/zinc/27/16/95/507271695.db2.gz SNTCWAMVTDKROE-OAQYLSRUSA-N 0 3 367.493 3.248 20 30 FGEDHN C=CCCCN(C)CC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000605738750 507281448 /nfs/dbraw/zinc/28/14/48/507281448.db2.gz GJPKJHSZURVTFB-UHFFFAOYSA-N 0 3 365.521 3.382 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000610582765 507302054 /nfs/dbraw/zinc/30/20/54/507302054.db2.gz XRZLGSDKYIAAON-KRWDZBQOSA-N 0 3 365.462 3.176 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000598194802 507306455 /nfs/dbraw/zinc/30/64/55/507306455.db2.gz ITPQMFGDWWAVTH-LJQANCHMSA-N 0 3 365.452 3.015 20 30 FGEDHN N#CC1(c2ccc(CNC[C@H](O)COc3ccc(F)c(F)c3)cc2)CC1 ZINC000594918988 507314133 /nfs/dbraw/zinc/31/41/33/507314133.db2.gz FDAUXRXHDJQIQN-INIZCTEOSA-N 0 3 358.388 3.049 20 30 FGEDHN Cn1ncc(C(F)(F)F)c1CNCCSCc1ccccc1C#N ZINC000594921750 507314845 /nfs/dbraw/zinc/31/48/45/507314845.db2.gz TXDARZMMMCCXNS-UHFFFAOYSA-N 0 3 354.401 3.334 20 30 FGEDHN CCOC(=O)c1csc(CCNCc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594938734 507323388 /nfs/dbraw/zinc/32/33/88/507323388.db2.gz PIPGDYSZZUJCNN-UHFFFAOYSA-N 0 3 355.463 3.207 20 30 FGEDHN CO[C@@H](CNCc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCOC1 ZINC000594952604 507329366 /nfs/dbraw/zinc/32/93/66/507329366.db2.gz PSTSVMUDLIWNRI-UNMCSNQZSA-N 0 3 366.461 3.278 20 30 FGEDHN CS(=O)(=O)C1(CNCc2cccc(OCCCC#N)c2)CCCCC1 ZINC000594974997 507338188 /nfs/dbraw/zinc/33/81/88/507338188.db2.gz MAYALCZFFWOHQL-UHFFFAOYSA-N 0 3 364.511 3.206 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000584451336 507350052 /nfs/dbraw/zinc/35/00/52/507350052.db2.gz AIDJDMCWNHQZFT-LYURXGEMSA-N 0 3 361.530 3.099 20 30 FGEDHN CCc1nnc(N2CCCN(Cc3ccccc3C)CC2)c(C#N)c1CC ZINC000610715023 507361125 /nfs/dbraw/zinc/36/11/25/507361125.db2.gz PAHXJGSFZQDJLW-UHFFFAOYSA-N 0 3 363.509 3.494 20 30 FGEDHN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C[C@@H]1CCOC1 ZINC000610735288 507371931 /nfs/dbraw/zinc/37/19/31/507371931.db2.gz UYMZMELEOCVSJP-INIZCTEOSA-N 0 3 363.889 3.254 20 30 FGEDHN C[C@H](NC[C@H]1CN(C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104668 507394817 /nfs/dbraw/zinc/39/48/17/507394817.db2.gz AXGCVLQNPDIHFI-UWJYYQICSA-N 0 3 366.484 3.164 20 30 FGEDHN Cc1c([C@@H](C)NC2CCN(CC#N)CC2)cnn1-c1cccc(Cl)c1 ZINC000610812822 507399626 /nfs/dbraw/zinc/39/96/26/507399626.db2.gz MYUBEINZSTYATA-CQSZACIVSA-N 0 3 357.889 3.473 20 30 FGEDHN Cn1cc(CN2CCOCC3(CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000614222789 507412944 /nfs/dbraw/zinc/41/29/44/507412944.db2.gz BBBKANDLLRSPDQ-UHFFFAOYSA-N 0 3 350.466 3.351 20 30 FGEDHN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@@H](N)CCCCC#N ZINC000595258023 507442322 /nfs/dbraw/zinc/44/23/22/507442322.db2.gz QCGSBPUDTMRTNP-IRXDYDNUSA-N 0 3 363.889 3.430 20 30 FGEDHN N#Cc1ccc(CCN2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000595341292 507466036 /nfs/dbraw/zinc/46/60/36/507466036.db2.gz HBCXSCPYRRIPSF-UHFFFAOYSA-N 0 3 365.452 3.017 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1cccc(OC)c1 ZINC000595440340 507498204 /nfs/dbraw/zinc/49/82/04/507498204.db2.gz ITFWHYDFQURDFN-FXAWDEMLSA-N 0 3 372.513 3.413 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595450018 507504193 /nfs/dbraw/zinc/50/41/93/507504193.db2.gz SRVPMIJAAKELKV-LEWJYISDSA-N 0 3 369.896 3.473 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@H]3CCc4c3c(F)ccc4F)CC2)nc1 ZINC000611080337 507506345 /nfs/dbraw/zinc/50/63/45/507506345.db2.gz SSXLSBDHZRVLMJ-SFHVURJKSA-N 0 3 354.404 3.477 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNC2(c3cccc(F)c3)CCC2)cc1 ZINC000592145147 507506682 /nfs/dbraw/zinc/50/66/82/507506682.db2.gz PFNISGAWERTAFC-IBGZPJMESA-N 0 3 354.425 3.300 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1SC ZINC000592173089 507523454 /nfs/dbraw/zinc/52/34/54/507523454.db2.gz PKCSJYCVTHBCAO-OAGGEKHMSA-N 0 3 359.413 3.435 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCCN1Cc1ccccc1 ZINC000614493384 507541215 /nfs/dbraw/zinc/54/12/15/507541215.db2.gz ACHYOHXZXMFAKY-NHCUHLMSSA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1cc(NC[C@@H](O)CC(C)(C)C#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000598729553 507571063 /nfs/dbraw/zinc/57/10/63/507571063.db2.gz KTIXUPUMXZEOGK-FQEVSTJZSA-N 0 3 358.530 3.238 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)CN1C ZINC000611259417 507587169 /nfs/dbraw/zinc/58/71/69/507587169.db2.gz XSNOPJKVQFAWDH-HUUCEWRRSA-N 0 3 374.554 3.242 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H](CO)C2CCC2)c1C#N ZINC000595615911 507593249 /nfs/dbraw/zinc/59/32/49/507593249.db2.gz JVRQLGGFEMFDFO-IBGZPJMESA-N 0 3 372.513 3.171 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCN(CC)c2cccc(C)c2)CC1 ZINC000592293384 507598642 /nfs/dbraw/zinc/59/86/42/507598642.db2.gz GUKVOACDUTXOSO-UHFFFAOYSA-N 0 3 358.530 3.161 20 30 FGEDHN COc1ccc(OCCNC(C)(C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000595635847 507605342 /nfs/dbraw/zinc/60/53/42/507605342.db2.gz MUABBROUBZFZSG-UHFFFAOYSA-N 0 3 355.394 3.379 20 30 FGEDHN N#Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1Cl ZINC000598800383 507606939 /nfs/dbraw/zinc/60/69/39/507606939.db2.gz PMCQIHHJVIMSME-NWDGAFQWSA-N 0 3 362.735 3.134 20 30 FGEDHN N#CCn1c(C(=O)NCC2CCN(c3ccncc3)CC2)cc2ccccc21 ZINC000611329977 507624348 /nfs/dbraw/zinc/62/43/48/507624348.db2.gz YHIUTJXOVDOCEX-UHFFFAOYSA-N 0 3 373.460 3.206 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCc1ccc(C#N)cc1 ZINC000595684723 507626306 /nfs/dbraw/zinc/62/63/06/507626306.db2.gz AEMUITGVFUWRPU-UHFFFAOYSA-N 0 3 364.493 3.394 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000595692280 507630980 /nfs/dbraw/zinc/63/09/80/507630980.db2.gz MZDPMRVQDDJRDX-IPMKNSEASA-N 0 3 354.498 3.341 20 30 FGEDHN COc1ccc(NC(=O)CCN[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000611386830 507655559 /nfs/dbraw/zinc/65/55/59/507655559.db2.gz ARCULDUVZKZBRF-CYBMUJFWSA-N 0 3 368.393 3.154 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)CCS2(=O)=O ZINC000611394344 507658344 /nfs/dbraw/zinc/65/83/44/507658344.db2.gz DDBZCMQICSGFKG-IBGZPJMESA-N 0 3 352.459 3.055 20 30 FGEDHN CS(=O)(=O)Cc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392399 507658593 /nfs/dbraw/zinc/65/85/93/507658593.db2.gz QGANNHQGCXBJML-FQEVSTJZSA-N 0 3 354.475 3.270 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000611391841 507659621 /nfs/dbraw/zinc/65/96/21/507659621.db2.gz BEGLKAVCCNDKPE-QRWLVFNGSA-N 0 3 358.388 3.243 20 30 FGEDHN COc1nc2ccccc2cc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000611438628 507682014 /nfs/dbraw/zinc/68/20/14/507682014.db2.gz LRHYYVMUADHAMS-UHFFFAOYSA-N 0 3 373.460 3.269 20 30 FGEDHN CN(C[C@H](O)COc1ccc(CC#N)cc1)CC1(c2ccccc2)CC1 ZINC000614917395 507694962 /nfs/dbraw/zinc/69/49/62/507694962.db2.gz UELDNFBQXIFQAN-FQEVSTJZSA-N 0 3 350.462 3.156 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2Cc2cccc(OC)c2)CC1 ZINC000592526116 507696958 /nfs/dbraw/zinc/69/69/58/507696958.db2.gz JZGVBMRYFFIRTG-LJQANCHMSA-N 0 3 357.498 3.062 20 30 FGEDHN N#Cc1cccnc1OC1CCC(NCc2cn3cccc(F)c3n2)CC1 ZINC000614992970 507716265 /nfs/dbraw/zinc/71/62/65/507716265.db2.gz YMHXKJMEWDRBBD-UHFFFAOYSA-N 0 3 365.412 3.220 20 30 FGEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611555300 507737367 /nfs/dbraw/zinc/73/73/67/507737367.db2.gz WDUZVJUHIWYZRS-BMFZPTHFSA-N 0 3 356.388 3.155 20 30 FGEDHN COC1(c2noc(CC3CCN([C@H]4CC[C@@H](C#N)C4)CC3)n2)CCCC1 ZINC000595914123 507741108 /nfs/dbraw/zinc/74/11/08/507741108.db2.gz AZFTUSIDSDJJHV-SJORKVTESA-N 0 3 358.486 3.432 20 30 FGEDHN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)s1 ZINC000595921104 507746140 /nfs/dbraw/zinc/74/61/40/507746140.db2.gz TVHUMOXISWFCKG-MRXNPFEDSA-N 0 3 355.463 3.489 20 30 FGEDHN Cn1ncc2c1CC(C)(C)CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000596010081 507758713 /nfs/dbraw/zinc/75/87/13/507758713.db2.gz XAYVCNDCZOXNRK-KRWDZBQOSA-N 0 3 350.466 3.104 20 30 FGEDHN Cc1cc(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)ncc1C#N ZINC000592695302 507767281 /nfs/dbraw/zinc/76/72/81/507767281.db2.gz YMTKIEUBOUEMIZ-FQEVSTJZSA-N 0 3 362.477 3.387 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCO[C@@H]2c2nccn2C)ccc1OC ZINC000275546190 518612147 /nfs/dbraw/zinc/61/21/47/518612147.db2.gz MYXGICPFIVBYDW-LPHOPBHVSA-N 0 3 357.454 3.003 20 30 FGEDHN CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000276011136 523397655 /nfs/dbraw/zinc/39/76/55/523397655.db2.gz QDCSDQPZRBFOQM-LJQANCHMSA-N 0 3 354.498 3.369 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2cc(C#N)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000328630329 529047200 /nfs/dbraw/zinc/04/72/00/529047200.db2.gz JGLRQSAHJMVQAH-LAUBAEHRSA-N 0 3 369.488 3.336 20 30 FGEDHN C=CC[N@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)CC1CCCCC1 ZINC000735418888 598755839 /nfs/dbraw/zinc/75/58/39/598755839.db2.gz LBUJIVOCEUGREK-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN C=CC[N@@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)CC1CCCCC1 ZINC000735418888 598755840 /nfs/dbraw/zinc/75/58/40/598755840.db2.gz LBUJIVOCEUGREK-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN C=CC[N@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)CC1CCCCC1 ZINC000735418888 598755841 /nfs/dbraw/zinc/75/58/41/598755841.db2.gz LBUJIVOCEUGREK-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN C=CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)CC1CCCCC1 ZINC000735418888 598755842 /nfs/dbraw/zinc/75/58/42/598755842.db2.gz LBUJIVOCEUGREK-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN N#CC(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)NC1CCCC1 ZINC000103330688 700483395 /nfs/dbraw/zinc/48/33/95/700483395.db2.gz MTXLFLPHLDUEJW-HUUCEWRRSA-N 0 3 352.356 3.490 20 30 FGEDHN C#CCN1CCC(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)CC1 ZINC000112841895 700565004 /nfs/dbraw/zinc/56/50/04/700565004.db2.gz OPARGUAOXZRIQI-UHFFFAOYSA-N 0 3 350.865 3.218 20 30 FGEDHN CCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000114618145 700580749 /nfs/dbraw/zinc/58/07/49/700580749.db2.gz HIZOYFNXDVDURE-NSHDSACASA-N 0 3 351.193 3.171 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000122694649 700693932 /nfs/dbraw/zinc/69/39/32/700693932.db2.gz ITZDFVBTZODIDL-UHFFFAOYSA-N 0 3 356.413 3.467 20 30 FGEDHN C[C@H](Oc1ccc(Cl)cc1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126649228 700751149 /nfs/dbraw/zinc/75/11/49/700751149.db2.gz MMGJRWQPKKIRDL-GUYCJALGSA-N 0 3 356.809 3.133 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSc2ccccc2C)c1 ZINC000127033503 700756319 /nfs/dbraw/zinc/75/63/19/700756319.db2.gz URPMFDDVUOARMF-MRXNPFEDSA-N 0 3 354.431 3.443 20 30 FGEDHN C=C(Br)CNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159713091 705231270 /nfs/dbraw/zinc/23/12/70/705231270.db2.gz VAHSKZUQHXBNKE-MRXNPFEDSA-N 0 3 366.303 3.201 20 30 FGEDHN CCCCCCCCc1nnc(NC(=O)c2n[nH]c3c2CNCC3)s1 ZINC000188207478 712764653 /nfs/dbraw/zinc/76/46/53/712764653.db2.gz MZIDZQKZEPZWID-UHFFFAOYSA-N 0 3 362.503 3.062 20 30 FGEDHN CCO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000249725280 713669347 /nfs/dbraw/zinc/66/93/47/713669347.db2.gz PKDCXZHPGZLMOP-FRRDWIJNSA-N 0 3 354.378 3.074 20 30 FGEDHN Cc1nc([C@H](C)NC(=O)NCC2(N3CCSCC3)CCCC2)cs1 ZINC000329351325 713829157 /nfs/dbraw/zinc/82/91/57/713829157.db2.gz DMIHIGRNNZYSQU-ZDUSSCGKSA-N 0 3 368.572 3.378 20 30 FGEDHN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329959192 713833351 /nfs/dbraw/zinc/83/33/51/713833351.db2.gz QKSNVLFXOLWFDA-JKSUJKDBSA-N 0 3 367.559 3.298 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)N2CC[C@](F)(C#N)C2)c2cccs2)CC1 ZINC000615528498 714533032 /nfs/dbraw/zinc/53/30/32/714533032.db2.gz DKZMIBNGLGOECW-YJBOKZPZSA-N 0 3 364.490 3.168 20 30 FGEDHN C#CCNC(=O)C1CCN(Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000781326776 724552388 /nfs/dbraw/zinc/55/23/88/724552388.db2.gz MXJYENUJSZTQNI-UHFFFAOYSA-N 0 3 356.413 3.260 20 30 FGEDHN N#Cc1ccc2ccnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726007 720370062 /nfs/dbraw/zinc/37/00/62/720370062.db2.gz OIRUKXVFRLFRHT-RTWAWAEBSA-N 0 3 355.445 3.355 20 30 FGEDHN N#Cc1cc(Cl)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909844 721547419 /nfs/dbraw/zinc/54/74/19/721547419.db2.gz SBYPCNODNAQPJW-SJLPKXTDSA-N 0 3 372.831 3.088 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CCOC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000740529877 722536395 /nfs/dbraw/zinc/53/63/95/722536395.db2.gz YGWNOBLPSDSLOG-GWCFXTLKSA-N 0 3 354.378 3.075 20 30 FGEDHN CCCCSCCC(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000740536794 722536401 /nfs/dbraw/zinc/53/64/01/722536401.db2.gz VSRYKCSUSNPLME-CQSZACIVSA-N 0 3 362.451 3.029 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1cccc(O)c1 ZINC000748816569 722705846 /nfs/dbraw/zinc/70/58/46/722705846.db2.gz GWRMLUCNILAHRB-OAHLLOKOSA-N 0 3 351.431 3.310 20 30 FGEDHN N#CC(C(=O)CCOCC1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000751827532 722829245 /nfs/dbraw/zinc/82/92/45/722829245.db2.gz UPLMGFRYUNJBBY-CQSZACIVSA-N 0 3 355.221 3.457 20 30 FGEDHN CC(C)CO[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000759400934 723003941 /nfs/dbraw/zinc/00/39/41/723003941.db2.gz IVIDLYFRGNLIEA-GJZGRUSLSA-N 0 3 357.479 3.219 20 30 FGEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000762028248 723208432 /nfs/dbraw/zinc/20/84/32/723208432.db2.gz LKCJDXGRWVIKDV-CABZTGNLSA-N 0 3 363.826 3.384 20 30 FGEDHN CCn1ccc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000792316263 723328181 /nfs/dbraw/zinc/32/81/81/723328181.db2.gz UABJRBZPGTXZDX-HNNXBMFYSA-N 0 3 352.463 3.426 20 30 FGEDHN Cc1cc(C)[nH]c(=NNC=C2CC(F)(F)CN2C(=O)OC(C)(C)C)n1 ZINC000792871286 723375994 /nfs/dbraw/zinc/37/59/94/723375994.db2.gz VIYQXXAGWJXXEY-GFCCVEGCSA-N 0 3 355.389 3.136 20 30 FGEDHN CC(C)Oc1ncc(C(=O)C(C#N)C(=O)Nc2ccccc2)cc1Cl ZINC000770100734 723706123 /nfs/dbraw/zinc/70/61/23/723706123.db2.gz TVOPAJOUMZVZJA-AWEZNQCLSA-N 0 3 357.797 3.483 20 30 FGEDHN C[C@H](NC(=O)c1ccccc1)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797568506 723835850 /nfs/dbraw/zinc/83/58/50/723835850.db2.gz SIVMQNRADFVEQW-GXTWGEPZSA-N 0 3 355.463 3.435 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1CCC(=O)CC1 ZINC000773979754 723845280 /nfs/dbraw/zinc/84/52/80/723845280.db2.gz KTJCPJZSNOQGBV-CYBMUJFWSA-N 0 3 362.813 3.064 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(N(C)C)cc1 ZINC000774480946 723898957 /nfs/dbraw/zinc/89/89/57/723898957.db2.gz GJLXIRUCUIJOJX-SUMWQHHRSA-N 0 3 354.479 3.142 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000801734512 724329169 /nfs/dbraw/zinc/32/91/69/724329169.db2.gz GNKIFPAVGPSJSJ-HNAYVOBHSA-N 0 3 363.885 3.009 20 30 FGEDHN CC(C)N1C(=O)C[C@@H](NCCO[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801951636 724349701 /nfs/dbraw/zinc/34/97/01/724349701.db2.gz XWMMNESPCOXUAP-NJAPINKUSA-N 0 3 367.852 3.048 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC(C)(C)OC ZINC000786309367 724972288 /nfs/dbraw/zinc/97/22/88/724972288.db2.gz HMIYCFQZJCHPQF-NSHDSACASA-N 0 3 352.818 3.120 20 30 FGEDHN C=CCCOCC(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000787049846 725014778 /nfs/dbraw/zinc/01/47/78/725014778.db2.gz IIKFIYZRFVEHNB-FZMZJTMJSA-N 0 3 369.248 3.472 20 30 FGEDHN CCOC(=O)C1(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CCC1 ZINC000789346173 725123207 /nfs/dbraw/zinc/12/32/07/725123207.db2.gz XKDXRRHCFVSBFO-CQSZACIVSA-N 0 3 362.813 3.111 20 30 FGEDHN CCOC(=O)C1(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CCC1 ZINC000789346172 725123276 /nfs/dbraw/zinc/12/32/76/725123276.db2.gz XKDXRRHCFVSBFO-AWEZNQCLSA-N 0 3 362.813 3.111 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCn2cc(Br)cn2)cc1 ZINC000809792600 725269058 /nfs/dbraw/zinc/26/90/58/725269058.db2.gz BPIGXRLLFNMBSV-ZDUSSCGKSA-N 0 3 363.259 3.068 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000810235632 725298707 /nfs/dbraw/zinc/29/87/07/725298707.db2.gz RSSZOLJVMXMQIS-FQEVSTJZSA-N 0 3 359.491 3.169 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1Cl ZINC000810533717 725312976 /nfs/dbraw/zinc/31/29/76/725312976.db2.gz UKXQQWXWLZZUPK-PWSUYJOCSA-N 0 3 352.843 3.139 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Br)c1 ZINC000813061174 726834574 /nfs/dbraw/zinc/83/45/74/726834574.db2.gz TVJCVADAEBARAF-NHYWBVRUSA-N 0 3 363.255 3.320 20 30 FGEDHN CC(C)(C)OC(=O)NC(=CNNc1ncccc1F)CC(F)(F)F ZINC000814927330 727011824 /nfs/dbraw/zinc/01/18/24/727011824.db2.gz ILKVMRSBAQKENY-SECBINFHSA-N 0 3 350.316 3.464 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2nccc3cc(Br)ccc32)CC1 ZINC000816680709 727188534 /nfs/dbraw/zinc/18/85/34/727188534.db2.gz SBBLYQKHVQOHEZ-UHFFFAOYSA-N 0 3 372.266 3.281 20 30 FGEDHN C#CCN(C)CCCNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000818602882 727316411 /nfs/dbraw/zinc/31/64/11/727316411.db2.gz IVGNGLKCWRFACV-UHFFFAOYSA-N 0 3 372.818 3.462 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCCN2C)s1 ZINC000819280808 727363808 /nfs/dbraw/zinc/36/38/08/727363808.db2.gz NYPATWYJUIRTBJ-LBPRGKRZSA-N 0 3 359.948 3.049 20 30 FGEDHN C#Cc1ccc(CNc2cc(N3CCOCC3)c(Br)cn2)cc1 ZINC000825311128 729378277 /nfs/dbraw/zinc/37/82/77/729378277.db2.gz GYSIABSHWZMKDI-UHFFFAOYSA-N 0 3 372.266 3.274 20 30 FGEDHN C=CCN1CCC(NC(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000826662739 729411950 /nfs/dbraw/zinc/41/19/50/729411950.db2.gz NTUUNNWTGZBNCT-UHFFFAOYSA-N 0 3 373.241 3.308 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1sccc1Br ZINC000835058098 729854085 /nfs/dbraw/zinc/85/40/85/729854085.db2.gz YNRYEOJOQFXNJI-NSHDSACASA-N 0 3 371.300 3.458 20 30 FGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(Cl)n(C)n2)cc1 ZINC000835061212 729854287 /nfs/dbraw/zinc/85/42/87/729854287.db2.gz GKWGONLPDAFTAO-AWEZNQCLSA-N 0 3 358.829 3.377 20 30 FGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(Cl)n(C)n1 ZINC000835064747 729855074 /nfs/dbraw/zinc/85/50/74/729855074.db2.gz YKSSSMBXXMVWCF-ZDUSSCGKSA-N 0 3 358.829 3.159 20 30 FGEDHN COC[C@@]1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCOC1 ZINC000835073469 729856573 /nfs/dbraw/zinc/85/65/73/729856573.db2.gz MRXADRSBRZQDOR-ZBEGNZNMSA-N 0 3 350.827 3.179 20 30 FGEDHN C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@H](C)CN1 ZINC000841831569 730279856 /nfs/dbraw/zinc/27/98/56/730279856.db2.gz WLSPXFJSXDZVSZ-ZIAGYGMSSA-N 0 3 354.479 3.179 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC)cc1Cl ZINC000842289966 730481177 /nfs/dbraw/zinc/48/11/77/730481177.db2.gz VHCLVMLKGATOED-DOMZBBRYSA-N 0 3 352.818 3.057 20 30 FGEDHN COCCN(C(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000844356104 730706772 /nfs/dbraw/zinc/70/67/72/730706772.db2.gz RAUMMJXWZRZDHV-NVXWUHKLSA-N 0 3 351.491 3.027 20 30 FGEDHN COCCN(C(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000844356107 730706818 /nfs/dbraw/zinc/70/68/18/730706818.db2.gz RAUMMJXWZRZDHV-WBVHZDCISA-N 0 3 351.491 3.027 20 30 FGEDHN CO[C@@H](C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)C1CCCCC1 ZINC000850977458 731408252 /nfs/dbraw/zinc/40/82/52/731408252.db2.gz VHSAYYJAGXPLIS-SJLPKXTDSA-N 0 3 362.857 3.260 20 30 FGEDHN CO[C@@H](C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)C1CCCCC1 ZINC000850977457 731408464 /nfs/dbraw/zinc/40/84/64/731408464.db2.gz VHSAYYJAGXPLIS-FUHWJXTLSA-N 0 3 362.857 3.260 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c(F)c2C)CC1 ZINC000855341316 731920441 /nfs/dbraw/zinc/92/04/41/731920441.db2.gz GBTDVCUAFZBWTJ-UHFFFAOYSA-N 0 3 353.235 3.180 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3sccc3CC#N)cc2)CC1 ZINC000864567395 733077624 /nfs/dbraw/zinc/07/76/24/733077624.db2.gz HWWHVPJYXNEEBY-UHFFFAOYSA-N 0 3 354.479 3.208 20 30 FGEDHN N#CC(C(=O)CCc1ccccc1C(F)(F)F)C(=O)NC1CCCC1 ZINC000870160263 733818443 /nfs/dbraw/zinc/81/84/43/733818443.db2.gz YEVFJCRBVPADNL-CQSZACIVSA-N 0 3 352.356 3.406 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@]23CCC[C@H]2OCC3)ccc1Cl ZINC000872312041 735614543 /nfs/dbraw/zinc/61/45/43/735614543.db2.gz LQGLUISOHJBCBA-MJGOQNOKSA-N 0 3 361.873 3.196 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000876611597 736121165 /nfs/dbraw/zinc/12/11/65/736121165.db2.gz LHAOWVGERWNTAH-KRWDZBQOSA-N 0 3 363.889 3.500 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000876748414 736139853 /nfs/dbraw/zinc/13/98/53/736139853.db2.gz BFPQMWFVAGGNQP-DZGCQCFKSA-N 0 3 356.297 3.061 20 30 FGEDHN C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000877256099 736201577 /nfs/dbraw/zinc/20/15/77/736201577.db2.gz NHMKAOZIIZPPDN-FUHWJXTLSA-N 0 3 351.853 3.424 20 30 FGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877477298 736224391 /nfs/dbraw/zinc/22/43/91/736224391.db2.gz COJLPNNHHITDRO-DOMZBBRYSA-N 0 3 364.877 3.342 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1cc(Br)no1 ZINC000878727822 736911809 /nfs/dbraw/zinc/91/18/09/736911809.db2.gz DGBPUUMYRYRHPP-ZWNOBZJWSA-N 0 3 350.216 3.035 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)C2 ZINC000884125660 737635876 /nfs/dbraw/zinc/63/58/76/737635876.db2.gz DWBGMWNHEJOTNQ-URTYCYGZSA-N 0 3 357.885 3.437 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3ccc(Cl)c(Cl)c3C1)C2 ZINC000884400326 737661517 /nfs/dbraw/zinc/66/15/17/737661517.db2.gz CHOAJFIWFWXYMG-XYEKJYRLSA-N 0 3 364.276 3.017 20 30 FGEDHN C#Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c(Cl)c1 ZINC000885669800 739178362 /nfs/dbraw/zinc/17/83/62/739178362.db2.gz MLDOTXLURSYJET-RYUDHWBXSA-N 0 3 361.747 3.244 20 30 FGEDHN C#CCC1(NCc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000887122058 739331214 /nfs/dbraw/zinc/33/12/14/739331214.db2.gz JFPOUAIDYRQRPO-UHFFFAOYSA-N 0 3 353.216 3.019 20 30 FGEDHN CN1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccccc1 ZINC000888419007 739519970 /nfs/dbraw/zinc/51/99/70/739519970.db2.gz GJVBHRPDWNGFLE-DGCLKSJQSA-N 0 3 361.858 3.235 20 30 FGEDHN CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000893873541 742207755 /nfs/dbraw/zinc/20/77/55/742207755.db2.gz ABOKGVMCISEYLS-ROUUACIJSA-N 0 3 354.479 3.207 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000897033648 742634002 /nfs/dbraw/zinc/63/40/02/742634002.db2.gz GEELEWNJWLFBTI-UHFFFAOYSA-N 0 3 355.404 3.173 20 30 FGEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1nc(C#N)cs1 ZINC000897628765 742697325 /nfs/dbraw/zinc/69/73/25/742697325.db2.gz BTGYANPWQOEDRZ-OCCSQVGLSA-N 0 3 350.488 3.140 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1C[C@@]12CCOC2 ZINC000902203163 743721854 /nfs/dbraw/zinc/72/18/54/743721854.db2.gz KYNPZCDYHJMONQ-QFBILLFUSA-N 0 3 362.543 3.011 20 30 FGEDHN C=CCC[C@@H](NC[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000903224488 743825169 /nfs/dbraw/zinc/82/51/69/743825169.db2.gz WSLNCSORORXJNJ-SJORKVTESA-N 0 3 357.903 3.141 20 30 FGEDHN CC[C@@H](C#N)Oc1cccc(CNC[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905116391 743994025 /nfs/dbraw/zinc/99/40/25/743994025.db2.gz DDNLOTYKNZFZGU-GXTWGEPZSA-N 0 3 366.330 3.406 20 30 FGEDHN C#CCN(C(=O)N[C@@H]1CCSc2ccc(F)cc21)C1CCN(C)CC1 ZINC000913957163 757648209 /nfs/dbraw/zinc/64/82/09/757648209.db2.gz HHFZFIGHRROFEU-QGZVFWFLSA-N 0 3 361.486 3.102 20 30 FGEDHN C#CCN1CCC(C(=O)NCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000920471354 758557925 /nfs/dbraw/zinc/55/79/25/758557925.db2.gz FKMKVYGIAWXQAJ-UHFFFAOYSA-N 0 3 352.400 3.099 20 30 FGEDHN C[C@@](NCC1CCC(C#N)CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000930018976 760512097 /nfs/dbraw/zinc/51/20/97/760512097.db2.gz RQBOYIGFSUAGGT-FVKWTLKZSA-N 0 3 353.388 3.325 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3nc4c(s3)CCC4)CC2)cc1 ZINC000932618909 761202282 /nfs/dbraw/zinc/20/22/82/761202282.db2.gz DPPLUQJWQMBNHM-SFHVURJKSA-N 0 3 353.491 3.416 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972522017 762968737 /nfs/dbraw/zinc/96/87/37/762968737.db2.gz FBDNYOYVOIKJLX-FHWLQOOXSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC000981185801 763461996 /nfs/dbraw/zinc/46/19/96/763461996.db2.gz ILQCUOZABPFLLG-MOPGFXCFSA-N 0 3 362.539 3.196 20 30 FGEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000997270964 765050032 /nfs/dbraw/zinc/05/00/32/765050032.db2.gz DIWTUAOZJPMOFB-BPLDGKMQSA-N 0 3 350.915 3.355 20 30 FGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000999108435 765136584 /nfs/dbraw/zinc/13/65/84/765136584.db2.gz JCVRROVBZPENNT-OVSDUUTQSA-N 0 3 360.885 3.058 20 30 FGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001004546010 765437378 /nfs/dbraw/zinc/43/73/78/765437378.db2.gz HHCSAEPONVAXOZ-BDXSIMOUSA-N 0 3 352.906 3.009 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001028549109 766123461 /nfs/dbraw/zinc/12/34/61/766123461.db2.gz MCAVEWAOIYJDOZ-UHOSZYNNSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001033557175 766222527 /nfs/dbraw/zinc/22/25/27/766222527.db2.gz JVIXRIXPGJYETO-QLFBSQMISA-N 0 3 352.400 3.316 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cc(Cl)ccc1F ZINC001035057247 766254396 /nfs/dbraw/zinc/25/43/96/766254396.db2.gz LMOIKVBWUDLIRZ-NUJGCVRESA-N 0 3 366.864 3.151 20 30 FGEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)C2 ZINC001054131835 766997860 /nfs/dbraw/zinc/99/78/60/766997860.db2.gz UQYMIFHFPFLSEY-DBXWQHBBSA-N 0 3 356.535 3.498 20 30 FGEDHN N#Cc1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000053048936 257346292 /nfs/dbraw/zinc/34/62/92/257346292.db2.gz UUCDGTBHMRRTSC-UHFFFAOYSA-N 0 3 351.425 3.226 20 30 FGEDHN CN(CCC#N)C[C@H](O)CNCc1ccccc1Sc1ccccc1 ZINC000571040237 505639187 /nfs/dbraw/zinc/63/91/87/505639187.db2.gz XYNOOOUKQMKDPA-GOSISDBHSA-N 0 3 355.507 3.134 20 30 FGEDHN N#CC(C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc2ccccc2[nH]1 ZINC000577143400 505672206 /nfs/dbraw/zinc/67/22/06/505672206.db2.gz CDCDEBGGNJMTPK-LLVKDONJSA-N 0 3 360.295 3.389 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000080867436 493786429 /nfs/dbraw/zinc/78/64/29/493786429.db2.gz WOXRNGQUUBDUES-LEWJYISDSA-N 0 3 363.461 3.378 20 30 FGEDHN C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)C1CC1 ZINC000057709066 493789198 /nfs/dbraw/zinc/78/91/98/493789198.db2.gz RVTYBPYMQSGOJW-INIZCTEOSA-N 0 3 363.461 3.350 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000068310526 493794861 /nfs/dbraw/zinc/79/48/61/493794861.db2.gz LNFHPHOOKATDGI-UHFFFAOYSA-N 0 3 373.460 3.152 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000574045470 505681270 /nfs/dbraw/zinc/68/12/70/505681270.db2.gz RYYMCFPTXICPSD-VGOFRKELSA-N 0 3 363.461 3.106 20 30 FGEDHN COc1cc(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)ccc1C#N ZINC000568385244 505681389 /nfs/dbraw/zinc/68/13/89/505681389.db2.gz WBYDLMFEGPITAF-TZIWHRDSSA-N 0 3 366.461 3.112 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)N(C)C)cc1 ZINC000029754589 493855837 /nfs/dbraw/zinc/85/58/37/493855837.db2.gz SJWGQVXJWZMHAK-JXFKEZNVSA-N 0 3 365.477 3.307 20 30 FGEDHN N#CC(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccn1 ZINC000051898254 493992944 /nfs/dbraw/zinc/99/29/44/493992944.db2.gz YSIBONPVIWRGIO-KRWDZBQOSA-N 0 3 354.431 3.288 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1sccc1C#N)c1cccc(OC)c1 ZINC000052029464 494000131 /nfs/dbraw/zinc/00/01/31/494000131.db2.gz NMKOHECVFZCUGE-QGZVFWFLSA-N 0 3 357.479 3.441 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C#N)cc1 ZINC000062485246 494013937 /nfs/dbraw/zinc/01/39/37/494013937.db2.gz DVLZOGXNOSWSJQ-UHFFFAOYSA-N 0 3 370.884 3.485 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC#Cc1ccccc1 ZINC000062477390 494014261 /nfs/dbraw/zinc/01/42/61/494014261.db2.gz RSXAROKZHUBYBT-UHFFFAOYSA-N 0 3 371.431 3.090 20 30 FGEDHN N#Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007850182 494046941 /nfs/dbraw/zinc/04/69/41/494046941.db2.gz WAOFACBOLWRXHS-UHFFFAOYSA-N 0 3 363.461 3.239 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000070754781 494053709 /nfs/dbraw/zinc/05/37/09/494053709.db2.gz UXXMFEBIWBUZDN-IERDGZPVSA-N 0 3 368.477 3.268 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000070754783 494053821 /nfs/dbraw/zinc/05/38/21/494053821.db2.gz UXXMFEBIWBUZDN-HRAATJIYSA-N 0 3 368.477 3.268 20 30 FGEDHN CC[N-]C(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(C)cc1 ZINC000063440144 494054263 /nfs/dbraw/zinc/05/42/63/494054263.db2.gz WOSDJDSYCLQNCO-UHFFFAOYSA-O 0 3 372.514 3.232 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCCC[C@H]2CCO)sc2c1CCCC2 ZINC000070823656 494060215 /nfs/dbraw/zinc/06/02/15/494060215.db2.gz UIFPEXSQOCQTTB-AWEZNQCLSA-N 0 3 361.511 3.064 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CC1 ZINC000070867938 494062940 /nfs/dbraw/zinc/06/29/40/494062940.db2.gz MLBYDDHMJXREKW-UHFFFAOYSA-N 0 3 358.335 3.051 20 30 FGEDHN CNC(=O)c1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000064613916 494138043 /nfs/dbraw/zinc/13/80/43/494138043.db2.gz PSWAIUQVQUJAGD-UHFFFAOYSA-N 0 3 367.449 3.027 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000568478914 505704147 /nfs/dbraw/zinc/70/41/47/505704147.db2.gz BLMKUNJCFXSODH-AABGKKOBSA-N 0 3 357.498 3.165 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc2c(c1)CCC2 ZINC000065931362 494258010 /nfs/dbraw/zinc/25/80/10/494258010.db2.gz ANFGYOAWJFRENI-UHFFFAOYSA-N 0 3 361.489 3.180 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000072895738 494277005 /nfs/dbraw/zinc/27/70/05/494277005.db2.gz SHFYJEVXSPTFNO-DXIQSLLYSA-N 0 3 370.541 3.026 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000078533568 494315685 /nfs/dbraw/zinc/31/56/85/494315685.db2.gz FYTFDCKVVBZWNR-UHFFFAOYSA-N 0 3 353.413 3.128 20 30 FGEDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055377111 494334701 /nfs/dbraw/zinc/33/47/01/494334701.db2.gz QEWPSPUHBALERI-INIZCTEOSA-N 0 3 367.449 3.334 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055377108 494334937 /nfs/dbraw/zinc/33/49/37/494334937.db2.gz QEWPSPUHBALERI-MRXNPFEDSA-N 0 3 367.449 3.334 20 30 FGEDHN N#Cc1ccc(CN2CCN(CC3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000580253674 505713930 /nfs/dbraw/zinc/71/39/30/505713930.db2.gz IOCMLUWLYABMDI-UHFFFAOYSA-N 0 3 367.415 3.121 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000571360992 505714731 /nfs/dbraw/zinc/71/47/31/505714731.db2.gz XCVFAYBUFYSYNN-FQEVSTJZSA-N 0 3 354.498 3.495 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)C(C)C ZINC000089707144 494347780 /nfs/dbraw/zinc/34/77/80/494347780.db2.gz YZOHYNCTCBZIOF-CVEARBPZSA-N 0 3 363.527 3.423 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000073278074 494350209 /nfs/dbraw/zinc/35/02/09/494350209.db2.gz FXVSLMFEEWGPKX-LBPRGKRZSA-N 0 3 359.417 3.074 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000079304144 494433113 /nfs/dbraw/zinc/43/31/13/494433113.db2.gz DPJGHKWBXZKOKH-HZPDHXFCSA-N 0 3 372.513 3.434 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CC1 ZINC000066921386 494438592 /nfs/dbraw/zinc/43/85/92/494438592.db2.gz MZLMEXLMAJYNKS-UHFFFAOYSA-N 0 3 362.477 3.170 20 30 FGEDHN COCCN(CCN(C)C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066955303 494444926 /nfs/dbraw/zinc/44/49/26/494444926.db2.gz FGKNXPJEBWDWNG-OAHLLOKOSA-N 0 3 364.515 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CC)[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC000066978738 494450523 /nfs/dbraw/zinc/45/05/23/494450523.db2.gz XZWIMAQRWQQVTD-KRWDZBQOSA-N 0 3 359.514 3.308 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000090182847 494454346 /nfs/dbraw/zinc/45/43/46/494454346.db2.gz KQIPAKFNCOWZDJ-CQSZACIVSA-N 0 3 357.903 3.293 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000046062293 494492213 /nfs/dbraw/zinc/49/22/13/494492213.db2.gz XQTIIGQGOJKCQB-UHFFFAOYSA-N 0 3 362.477 3.364 20 30 FGEDHN Cc1ccc(SC[C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000571397651 505724521 /nfs/dbraw/zinc/72/45/21/505724521.db2.gz NQUDFDZEMPCWLO-AEFFLSMTSA-N 0 3 356.491 3.377 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091218990 494564690 /nfs/dbraw/zinc/56/46/90/494564690.db2.gz SFFJHQURKFDIQH-SFHVURJKSA-N 0 3 362.477 3.366 20 30 FGEDHN C[C@H]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000056817250 494569232 /nfs/dbraw/zinc/56/92/32/494569232.db2.gz FFMSPZYVKPJUHW-FXAWDEMLSA-N 0 3 356.514 3.458 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000080079910 494589303 /nfs/dbraw/zinc/58/93/03/494589303.db2.gz YHJAKURAZVRZAC-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN C[C@H]1CN(CC2CCN(c3c(C#N)cnc4ccccc43)CC2)C[C@H](C)O1 ZINC000091478951 494606662 /nfs/dbraw/zinc/60/66/62/494606662.db2.gz ANGKRONBKQSHOZ-IRXDYDNUSA-N 0 3 364.493 3.432 20 30 FGEDHN COc1cc(C)c(CN(C)CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000024805180 494665643 /nfs/dbraw/zinc/66/56/43/494665643.db2.gz ISMBJKCTHHKETM-UHFFFAOYSA-N 0 3 367.449 3.345 20 30 FGEDHN N#Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000047262418 494668168 /nfs/dbraw/zinc/66/81/68/494668168.db2.gz CGGVATWHOJDPHQ-UHFFFAOYSA-N 0 3 354.841 3.457 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000108466461 494713351 /nfs/dbraw/zinc/71/33/51/494713351.db2.gz ZSBDEXNBHHTUOW-FPOVZHCZSA-N 0 3 365.477 3.381 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091889289 494713554 /nfs/dbraw/zinc/71/35/54/494713554.db2.gz LTPKYMKIIXEJFX-OAQYLSRUSA-N 0 3 354.425 3.412 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1ccc2c(c1)OCO2 ZINC000025368890 494729234 /nfs/dbraw/zinc/72/92/34/494729234.db2.gz HUSCNTXRHQUNQQ-SFHVURJKSA-N 0 3 355.434 3.016 20 30 FGEDHN N#Cc1ccc2ncc(CN3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)n2c1 ZINC000091966650 494737727 /nfs/dbraw/zinc/73/77/27/494737727.db2.gz JBBBZFZRTSPKSB-AZUAARDMSA-N 0 3 364.424 3.433 20 30 FGEDHN Cn1c(CNC2CCC(Oc3ccc(C#N)cn3)CC2)nc2ccccc21 ZINC000092854022 494774024 /nfs/dbraw/zinc/77/40/24/494774024.db2.gz OJVAKWICRFPNHC-UHFFFAOYSA-N 0 3 361.449 3.320 20 30 FGEDHN CC[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000025868014 494785202 /nfs/dbraw/zinc/78/52/02/494785202.db2.gz SCTMGRYEONANGO-RXVVDRJESA-N 0 3 354.450 3.242 20 30 FGEDHN C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000047933185 494796311 /nfs/dbraw/zinc/79/63/11/494796311.db2.gz QNYDDXMHVNXOPJ-OXQOHEQNSA-N 0 3 350.466 3.091 20 30 FGEDHN N#CCCCOc1cccc(CN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000093011436 494807045 /nfs/dbraw/zinc/80/70/45/494807045.db2.gz UVCFEXMADCHJHI-FQEVSTJZSA-N 0 3 357.498 3.056 20 30 FGEDHN COc1ccc(CNC[C@@]2(O)CCc3ccccc32)cc1OCCCC#N ZINC000132226252 494842255 /nfs/dbraw/zinc/84/22/55/494842255.db2.gz XZQNLHPSLCTFAK-QFIPXVFZSA-N 0 3 366.461 3.301 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093282554 494860904 /nfs/dbraw/zinc/86/09/04/494860904.db2.gz XZINSVBMNQVMDN-UHFFFAOYSA-N 0 3 368.485 3.105 20 30 FGEDHN C=CC1CCN(Cc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)CC1 ZINC000093359189 494878102 /nfs/dbraw/zinc/87/81/02/494878102.db2.gz YROFPGNQGBLDOB-INIZCTEOSA-N 0 3 360.498 3.339 20 30 FGEDHN N#Cc1ccc(NCC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000109535869 494886882 /nfs/dbraw/zinc/88/68/82/494886882.db2.gz PAVUGYVSEGDMJC-UHFFFAOYSA-N 0 3 368.506 3.060 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@H](CC(N)=O)C3)c2)c1 ZINC000093809098 494923425 /nfs/dbraw/zinc/92/34/25/494923425.db2.gz WJHCJKJTIUAIOT-LJQANCHMSA-N 0 3 363.461 3.225 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000122126850 494928306 /nfs/dbraw/zinc/92/83/06/494928306.db2.gz KYYMUXAFAAIODV-NRFANRHFSA-N 0 3 350.437 3.377 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CSc2ccccc21 ZINC000118210284 494981940 /nfs/dbraw/zinc/98/19/40/494981940.db2.gz CJTFVCICVHXUBU-IBGZPJMESA-N 0 3 365.502 3.338 20 30 FGEDHN Cc1cc(C)c(CCNCCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000577572040 505754898 /nfs/dbraw/zinc/75/48/98/505754898.db2.gz UKJSHULQYFYWGV-UHFFFAOYSA-N 0 3 356.491 3.090 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000571560363 505761372 /nfs/dbraw/zinc/76/13/72/505761372.db2.gz CBASLOXKGUBIKO-LJQANCHMSA-N 0 3 370.522 3.040 20 30 FGEDHN O=C(c1ccc(F)cc1)C(C(=S)[N-]C[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134137359 495111006 /nfs/dbraw/zinc/11/10/06/495111006.db2.gz SUQJYBHNGJHSAE-KRWDZBQOSA-O 0 3 373.473 3.211 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)C(C)C ZINC000134166646 495116403 /nfs/dbraw/zinc/11/64/03/495116403.db2.gz CLKGMSPLZJBFOI-IRXDYDNUSA-N 0 3 363.527 3.423 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN(CCCO)Cc1cccc(Cl)c1 ZINC000134279922 495129135 /nfs/dbraw/zinc/12/91/35/495129135.db2.gz XLOLLFPGHGSKJA-UHFFFAOYSA-N 0 3 371.868 3.425 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000123486848 495139340 /nfs/dbraw/zinc/13/93/40/495139340.db2.gz OBPWUDDWMLLRQC-UHFFFAOYSA-N 0 3 351.288 3.446 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1[C@H]1CCCOC1)C(C)C ZINC000574396210 505764036 /nfs/dbraw/zinc/76/40/36/505764036.db2.gz ULSDICLKBCWFNJ-SLFFLAALSA-N 0 3 363.546 3.286 20 30 FGEDHN N#Cc1cnn2c1NC[C@H](CN1CCC(F)(c3cccc(Cl)c3)CC1)C2 ZINC000577610329 505764344 /nfs/dbraw/zinc/76/43/44/505764344.db2.gz CWKILXZUBYCPIS-CQSZACIVSA-N 0 3 373.863 3.411 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000102802548 495162529 /nfs/dbraw/zinc/16/25/29/495162529.db2.gz ILDPGEQUNPRFKD-LBPRGKRZSA-N 0 3 352.385 3.156 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-c2ccco2)[nH]c1=O)C(C)C ZINC000112919832 495258034 /nfs/dbraw/zinc/25/80/34/495258034.db2.gz KTYUIXUAWMSUPG-GOSISDBHSA-N 0 3 369.465 3.063 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)Cc2cccc(C#N)c2)N(C)C)cc1 ZINC000574429812 505771348 /nfs/dbraw/zinc/77/13/48/505771348.db2.gz AQZOIDPCZUXEHF-LJQANCHMSA-N 0 3 353.491 3.242 20 30 FGEDHN N#CCCn1cc(CNCCOCC(F)(F)F)c(-c2ccccc2)n1 ZINC000113317159 495295505 /nfs/dbraw/zinc/29/55/05/495295505.db2.gz PPQVQFWNPPJRKA-UHFFFAOYSA-N 0 3 352.360 3.132 20 30 FGEDHN CN(CCc1ccc(Cl)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000113518088 495308609 /nfs/dbraw/zinc/30/86/09/495308609.db2.gz ZHEQAXDZEMCAMG-IBGZPJMESA-N 0 3 358.869 3.320 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2ccccc2OCC#N)[C@@H]1c1cccs1 ZINC000129955529 495319477 /nfs/dbraw/zinc/31/94/77/495319477.db2.gz SNBZPEWVDQWUSW-HNAYVOBHSA-N 0 3 369.490 3.463 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)onc1-c1ccccn1)C(C)C ZINC000130319857 495373045 /nfs/dbraw/zinc/37/30/45/495373045.db2.gz NEZZKRZQBGJGDU-GOSISDBHSA-N 0 3 368.481 3.473 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCC1CCOCC1 ZINC000120475797 495388289 /nfs/dbraw/zinc/38/82/89/495388289.db2.gz MGOUONRKRROSQV-INIZCTEOSA-N 0 3 350.528 3.400 20 30 FGEDHN CC(C)C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)N(C)C ZINC000120490169 495390040 /nfs/dbraw/zinc/39/00/40/495390040.db2.gz QZVFGSGPRFZSFA-KRWDZBQOSA-N 0 3 369.465 3.436 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1 ZINC000106039193 495406643 /nfs/dbraw/zinc/40/66/43/495406643.db2.gz CGQQSMSGDQJNTG-VMPITWQZSA-N 0 3 350.466 3.042 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000574475513 505781188 /nfs/dbraw/zinc/78/11/88/505781188.db2.gz XTZVKRRMGMAWED-NNZWXOEDSA-N 0 3 354.498 3.451 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Br)s2)CC1 ZINC000106257399 495440067 /nfs/dbraw/zinc/44/00/67/495440067.db2.gz MMFPDTBLKRGUGC-UHFFFAOYSA-N 0 3 372.332 3.350 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(CCCCC)s2)CC1 ZINC000106317047 495443911 /nfs/dbraw/zinc/44/39/11/495443911.db2.gz KLPWWEGQOAVFJL-UHFFFAOYSA-N 0 3 351.520 3.433 20 30 FGEDHN CSc1cccc(N(C(=O)c2ccc(C#N)nc2)C2CCN(C)CC2)c1 ZINC000115073683 495459088 /nfs/dbraw/zinc/45/90/88/495459088.db2.gz SAALABHDDOWCOP-UHFFFAOYSA-N 0 3 366.490 3.416 20 30 FGEDHN COc1cc2c(cc1OC)CCN(CCOc1cccc(C#N)c1)CC2 ZINC000138796042 495468142 /nfs/dbraw/zinc/46/81/42/495468142.db2.gz QMAPSYPHFXRUMB-UHFFFAOYSA-N 0 3 352.434 3.055 20 30 FGEDHN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(CC)CC1 ZINC000574488434 505784182 /nfs/dbraw/zinc/78/41/82/505784182.db2.gz VOCORUFEBBWSIU-UHFFFAOYSA-N 0 3 351.454 3.409 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000125797644 495500470 /nfs/dbraw/zinc/50/04/70/495500470.db2.gz KESZPXRTXNUEIP-CJNGLKHVSA-N 0 3 362.376 3.250 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179341919 495550348 /nfs/dbraw/zinc/55/03/48/495550348.db2.gz IUMVDNXKHIHNMO-LJQANCHMSA-N 0 3 355.482 3.107 20 30 FGEDHN COc1cc(CN[C@H]2C[C@H](O)C2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000577765994 505788688 /nfs/dbraw/zinc/78/86/88/505788688.db2.gz QXOFCVHEAOYDHK-SFTDATJTSA-N 0 3 366.461 3.395 20 30 FGEDHN CN(C)CCN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000176382445 495629610 /nfs/dbraw/zinc/62/96/10/495629610.db2.gz PYFGWXVGEJPOJN-UHFFFAOYSA-N 0 3 353.491 3.484 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cn(-c3ccccc3)nc2C)CC1 ZINC000182621833 495638887 /nfs/dbraw/zinc/63/88/87/495638887.db2.gz FBUPWPDMLJTDTI-UHFFFAOYSA-N 0 3 367.497 3.020 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000170934764 495658016 /nfs/dbraw/zinc/65/80/16/495658016.db2.gz AVNUQLHWGWDFQD-HXUWFJFHSA-N 0 3 366.440 3.334 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000577777255 505791504 /nfs/dbraw/zinc/79/15/04/505791504.db2.gz HUPRRQHJAJALGP-LJQANCHMSA-N 0 3 374.868 3.100 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 ZINC000154695442 495698327 /nfs/dbraw/zinc/69/83/27/495698327.db2.gz IWLVNIKZVSSSBC-UHFFFAOYSA-N 0 3 367.449 3.295 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173820583 495707179 /nfs/dbraw/zinc/70/71/79/495707179.db2.gz AVJUJXHUVPQIHW-MRXNPFEDSA-N 0 3 371.506 3.440 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179755205 495720960 /nfs/dbraw/zinc/72/09/60/495720960.db2.gz VEQGJQLCAQRXGM-FOIQADDNSA-N 0 3 356.466 3.088 20 30 FGEDHN N#CC1(c2ccc(C(=O)NCC3(N4CCSCC4)CCCC3)cc2)CC1 ZINC000182959159 495775944 /nfs/dbraw/zinc/77/59/44/495775944.db2.gz LIJVDYVEJWDDMU-UHFFFAOYSA-N 0 3 369.534 3.333 20 30 FGEDHN CN(C(=O)c1ccccc1OCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174049880 495802700 /nfs/dbraw/zinc/80/27/00/495802700.db2.gz LMZKVEOSLCYFAI-IBGZPJMESA-N 0 3 363.461 3.326 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183166811 495864818 /nfs/dbraw/zinc/86/48/18/495864818.db2.gz XAVLILDRSIJCAL-MRXNPFEDSA-N 0 3 364.371 3.144 20 30 FGEDHN Cn1cc(CNCCC(=O)Nc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180207394 495906675 /nfs/dbraw/zinc/90/66/75/495906675.db2.gz OQJIRVFDNLMQKL-UHFFFAOYSA-N 0 3 359.433 3.077 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000580679877 505812056 /nfs/dbraw/zinc/81/20/56/505812056.db2.gz UEOJFJWJPCOJJI-PXNSSMCTSA-N 0 3 356.510 3.483 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)COc2c(C)cccc2C)CC1 ZINC000171556889 495926508 /nfs/dbraw/zinc/92/65/08/495926508.db2.gz FINHQENBLUXHOI-GOSISDBHSA-N 0 3 359.514 3.410 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000174374587 495932887 /nfs/dbraw/zinc/93/28/87/495932887.db2.gz GPFPWHQOVBOBRM-SJORKVTESA-N 0 3 365.481 3.254 20 30 FGEDHN CC(=O)Nc1ccccc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160439388 495963711 /nfs/dbraw/zinc/96/37/11/495963711.db2.gz MBSXNXMJEUSYED-SFHVURJKSA-N 0 3 366.440 3.414 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccnc(OCc3ccccc3)c2)CC1 ZINC000171715455 496003032 /nfs/dbraw/zinc/00/30/32/496003032.db2.gz CXQQRTYYAYMHOS-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(COc3ccccc3)CC2)CC1 ZINC000171740488 496016534 /nfs/dbraw/zinc/01/65/34/496016534.db2.gz VIJRJVICJWEBQC-UHFFFAOYSA-N 0 3 357.498 3.137 20 30 FGEDHN COc1ccc(C#N)cc1CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000155719926 496046189 /nfs/dbraw/zinc/04/61/89/496046189.db2.gz VYXKFUUNGWDPGV-UHFFFAOYSA-N 0 3 364.493 3.101 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(Cc3cccc(F)c3)n2)CC1 ZINC000183676595 496074487 /nfs/dbraw/zinc/07/44/87/496074487.db2.gz FFQYEQSDZYCRIA-UHFFFAOYSA-N 0 3 359.470 3.253 20 30 FGEDHN N#Cc1cccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000183816171 496125780 /nfs/dbraw/zinc/12/57/80/496125780.db2.gz HPYFDUDPNZTWSJ-KRWDZBQOSA-N 0 3 373.378 3.468 20 30 FGEDHN CC[C@@H](CC#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000183839031 496131866 /nfs/dbraw/zinc/13/18/66/496131866.db2.gz ZGRDHSSXSGSRIJ-RDJZCZTQSA-N 0 3 353.388 3.249 20 30 FGEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1OCC#N ZINC000174927229 496168822 /nfs/dbraw/zinc/16/88/22/496168822.db2.gz GNMUYLFAINMSIO-LJQANCHMSA-N 0 3 363.461 3.183 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180853151 496171600 /nfs/dbraw/zinc/17/16/00/496171600.db2.gz WWVJPKKHJHAPQA-INIZCTEOSA-N 0 3 362.433 3.482 20 30 FGEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(C#N)cc1F ZINC000172129267 496177376 /nfs/dbraw/zinc/17/73/76/496177376.db2.gz XQOHGDDIFJKDSM-UHFFFAOYSA-N 0 3 351.381 3.435 20 30 FGEDHN CC(C)CCOc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180871266 496180137 /nfs/dbraw/zinc/18/01/37/496180137.db2.gz WIPJNWZAJRTCOB-MODMUFLJSA-N 0 3 371.481 3.289 20 30 FGEDHN N#Cc1csc(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)c1 ZINC000180894533 496189653 /nfs/dbraw/zinc/18/96/53/496189653.db2.gz OALMKTNZSXTLGO-UHFFFAOYSA-N 0 3 369.490 3.067 20 30 FGEDHN CC(C)[C@@H](CCO)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000161742086 496231460 /nfs/dbraw/zinc/23/14/60/496231460.db2.gz QEXCTVAAYWUNRW-XJKSGUPXSA-N 0 3 363.527 3.212 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000177877351 496235872 /nfs/dbraw/zinc/23/58/72/496235872.db2.gz NACABXPFZWFXST-OAQYLSRUSA-N 0 3 371.525 3.108 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000172288112 496241786 /nfs/dbraw/zinc/24/17/86/496241786.db2.gz QLXBGUGPRVUZIT-HXUWFJFHSA-N 0 3 356.514 3.250 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)CC1 ZINC000181034382 496247750 /nfs/dbraw/zinc/24/77/50/496247750.db2.gz QFKNGNCEWYRTEL-RTBURBONSA-N 0 3 351.535 3.310 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000187115900 496300691 /nfs/dbraw/zinc/30/06/91/496300691.db2.gz AEPVOIMVWGGDSC-GHTZIAJQSA-N 0 3 372.509 3.320 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181290472 496342456 /nfs/dbraw/zinc/34/24/56/496342456.db2.gz SEQUOYJGJDTWQU-HOTGVXAUSA-N 0 3 359.470 3.107 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc2ccccc2s1 ZINC000162510478 496364844 /nfs/dbraw/zinc/36/48/44/496364844.db2.gz MUOSDUHXQHYVHV-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN CC(C)(CN1CCCC1)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000574723374 505841138 /nfs/dbraw/zinc/84/11/38/505841138.db2.gz CMKUHXWEPQYFJK-UHFFFAOYSA-N 0 3 374.554 3.291 20 30 FGEDHN C=C(C)[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccc(F)c(F)c1 ZINC000187345295 496401883 /nfs/dbraw/zinc/40/18/83/496401883.db2.gz QETQKYFZQWDQGU-QGZVFWFLSA-N 0 3 363.412 3.162 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000181508089 496424608 /nfs/dbraw/zinc/42/46/08/496424608.db2.gz FWUAQHLEWHGYBU-HNNXBMFYSA-N 0 3 357.376 3.004 20 30 FGEDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000181570494 496450891 /nfs/dbraw/zinc/45/08/91/496450891.db2.gz UQHQWNSSKWJCJZ-YJBOKZPZSA-N 0 3 369.421 3.289 20 30 FGEDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)C(=O)N(CCC#N)c1ccccc1 ZINC000163023481 496452800 /nfs/dbraw/zinc/45/28/00/496452800.db2.gz YAEJILFNEYAODV-ABSDTBQOSA-N 0 3 363.461 3.476 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000172843769 496457832 /nfs/dbraw/zinc/45/78/32/496457832.db2.gz DFQQJBQWZITDNQ-HOTGVXAUSA-N 0 3 368.399 3.455 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000172843764 496458481 /nfs/dbraw/zinc/45/84/81/496458481.db2.gz DFQQJBQWZITDNQ-JKSUJKDBSA-N 0 3 368.399 3.455 20 30 FGEDHN CN(CCOCCN(C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000178593861 496509393 /nfs/dbraw/zinc/50/93/93/496509393.db2.gz ABKDUIILYUQSLI-UHFFFAOYSA-N 0 3 362.477 3.010 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000173101712 496549350 /nfs/dbraw/zinc/54/93/50/496549350.db2.gz ZZKRISFEAGLETP-LLVKDONJSA-N 0 3 357.317 3.381 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187800348 496577442 /nfs/dbraw/zinc/57/74/42/496577442.db2.gz OSRBLCFTWDJWIG-UHFFFAOYSA-N 0 3 351.288 3.067 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NCCCN3CCc4ccccc4C3)CC2)cc1 ZINC000187835959 496590173 /nfs/dbraw/zinc/59/01/73/496590173.db2.gz NADKXPYFNCGLLH-UHFFFAOYSA-N 0 3 359.473 3.154 20 30 FGEDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000173202019 496590682 /nfs/dbraw/zinc/59/06/82/496590682.db2.gz DFGAQNDRWHGEPH-JKSUJKDBSA-N 0 3 359.433 3.422 20 30 FGEDHN CCc1c2ccccc2oc1[C@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000181963501 496614890 /nfs/dbraw/zinc/61/48/90/496614890.db2.gz BHMUMPHSKZZAJG-HGENEIFLSA-N 0 3 353.422 3.172 20 30 FGEDHN Cc1cccn2cc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)nc12 ZINC000181977639 496620211 /nfs/dbraw/zinc/62/02/11/496620211.db2.gz PNGTTWGVLLLRLF-UHFFFAOYSA-N 0 3 359.477 3.269 20 30 FGEDHN N#CCCn1cc(CN[C@@H]2CCN(c3ccccn3)C2)c(-c2ccccc2)n1 ZINC000181993526 496627123 /nfs/dbraw/zinc/62/71/23/496627123.db2.gz FURHCPVVHULCRN-HXUWFJFHSA-N 0 3 372.476 3.227 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000154017364 496657140 /nfs/dbraw/zinc/65/71/40/496657140.db2.gz HQEFQXCWWVXEGO-UHFFFAOYSA-N 0 3 359.817 3.083 20 30 FGEDHN CC(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)N1CCN(C)CC1 ZINC000154044059 496665204 /nfs/dbraw/zinc/66/52/04/496665204.db2.gz IBHJHYCPMNVAPY-KRWDZBQOSA-N 0 3 354.420 3.261 20 30 FGEDHN Cc1noc(C)c1[C@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000179184821 496704173 /nfs/dbraw/zinc/70/41/73/496704173.db2.gz COLZOMVDJGXOBX-OAHLLOKOSA-N 0 3 368.481 3.247 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176154003 496706539 /nfs/dbraw/zinc/70/65/39/496706539.db2.gz FOXJIUFRXOIFOM-OAHLLOKOSA-N 0 3 360.458 3.304 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000191357679 496736671 /nfs/dbraw/zinc/73/66/71/496736671.db2.gz CABPSPYMGGSLRD-CTNGQTDRSA-N 0 3 368.502 3.333 20 30 FGEDHN C=CCc1cc(CNCCOCC(F)(F)C(F)F)cc(OC)c1O ZINC000277424772 496769352 /nfs/dbraw/zinc/76/93/52/496769352.db2.gz BICWVYHZWBRVIA-UHFFFAOYSA-N 0 3 351.340 3.136 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(NC(C)=O)c1C)C(C)C ZINC000188392218 496774668 /nfs/dbraw/zinc/77/46/68/496774668.db2.gz DHVKLXAAJUVGBM-HXUWFJFHSA-N 0 3 357.498 3.382 20 30 FGEDHN COC[C@@H](Cc1ccccc1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000191480040 496776842 /nfs/dbraw/zinc/77/68/42/496776842.db2.gz LBXDKHDKYFNQJG-HXUWFJFHSA-N 0 3 351.450 3.076 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000194974078 496778336 /nfs/dbraw/zinc/77/83/36/496778336.db2.gz NAYKYMLJLWHJEZ-CABCVRRESA-N 0 3 357.479 3.220 20 30 FGEDHN COC[C@@H](Cc1ccccc1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000191504377 496787698 /nfs/dbraw/zinc/78/76/98/496787698.db2.gz RWZXINZBICFVJL-LJQANCHMSA-N 0 3 351.450 3.076 20 30 FGEDHN N#CCOc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000264151527 496822987 /nfs/dbraw/zinc/82/29/87/496822987.db2.gz QFYIJTXAPAIXSD-UHFFFAOYSA-N 0 3 364.449 3.375 20 30 FGEDHN CN1CCC(Nc2ccccc2NC(=O)COc2ccccc2C#N)CC1 ZINC000264173080 496828132 /nfs/dbraw/zinc/82/81/32/496828132.db2.gz KJPVVKKWUBVGJY-UHFFFAOYSA-N 0 3 364.449 3.082 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@]2(CO)CC(C)C)c1C ZINC000191643367 496843892 /nfs/dbraw/zinc/84/38/92/496843892.db2.gz FHLCOIIXYWCDID-JOCHJYFZSA-N 0 3 371.525 3.423 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247505539 496875510 /nfs/dbraw/zinc/87/55/10/496875510.db2.gz VGWZCCRGSLFBHC-PXNSSMCTSA-N 0 3 353.491 3.362 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1 ZINC000264355071 496880220 /nfs/dbraw/zinc/88/02/20/496880220.db2.gz GIWMMIHJGFXYCM-UHFFFAOYSA-N 0 3 370.497 3.049 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000247702197 496907940 /nfs/dbraw/zinc/90/79/40/496907940.db2.gz YCYRNMYVFWIGOC-RBUKOAKNSA-N 0 3 368.502 3.412 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264562073 496929704 /nfs/dbraw/zinc/92/97/04/496929704.db2.gz FURHOUDOIKDVDA-FXAWDEMLSA-N 0 3 372.488 3.021 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cn[nH]c1 ZINC000274037404 496999746 /nfs/dbraw/zinc/99/97/46/496999746.db2.gz NAQNWUMLROJBLT-GFCCVEGCSA-N 0 3 357.483 3.291 20 30 FGEDHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000189224481 497050333 /nfs/dbraw/zinc/05/03/33/497050333.db2.gz RHBBDGYGTCBBBE-NHYWBVRUSA-N 0 3 361.511 3.371 20 30 FGEDHN CC(C)(C#N)CCCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000278251748 497051593 /nfs/dbraw/zinc/05/15/93/497051593.db2.gz XFKOQMIOZDBWCL-UHFFFAOYSA-N 0 3 369.556 3.211 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(C)c2Br)CC1 ZINC000189404280 497107556 /nfs/dbraw/zinc/10/75/56/497107556.db2.gz SHSLFJPMSWOPKR-UHFFFAOYSA-N 0 3 366.303 3.207 20 30 FGEDHN CC(C)N1CCC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000274517911 497115877 /nfs/dbraw/zinc/11/58/77/497115877.db2.gz RREWWNVCQFBPOH-GOSISDBHSA-N 0 3 367.449 3.333 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@](C)(CO)C(C)C)c1C#N ZINC000574945894 505888074 /nfs/dbraw/zinc/88/80/74/505888074.db2.gz GYXBMLUSJRJUAU-OAQYLSRUSA-N 0 3 374.529 3.417 20 30 FGEDHN C[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1 ZINC000278767580 497214313 /nfs/dbraw/zinc/21/43/13/497214313.db2.gz XYCDXPJIXHVCIU-KRWDZBQOSA-N 0 3 361.449 3.416 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ncccc3F)n2)CC1 ZINC000271060439 497255525 /nfs/dbraw/zinc/25/55/25/497255525.db2.gz GDVMWRZPOQHOPX-UHFFFAOYSA-N 0 3 360.458 3.115 20 30 FGEDHN Cc1cc(NC(=O)c2oc3ccccc3c2CN(C)C)nn1CCC#N ZINC000271084036 497260484 /nfs/dbraw/zinc/26/04/84/497260484.db2.gz SFQJDSHTCXLIPK-UHFFFAOYSA-N 0 3 351.410 3.165 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc4c[nH]nc4c3)CC2)c1 ZINC000271171520 497279363 /nfs/dbraw/zinc/27/93/63/497279363.db2.gz MBVHPJUKKPKEHN-UHFFFAOYSA-N 0 3 359.433 3.285 20 30 FGEDHN COc1cc(CCO)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000278996092 497295818 /nfs/dbraw/zinc/29/58/18/497295818.db2.gz QSIVKSQYYLKKFM-UHFFFAOYSA-N 0 3 365.477 3.178 20 30 FGEDHN C=CCC[C@@H](C(=O)NCCCCN1CCN(CC)CC1)c1ccccc1 ZINC000275341864 497296382 /nfs/dbraw/zinc/29/63/82/497296382.db2.gz RAXFCTWSUQORQZ-OAQYLSRUSA-N 0 3 357.542 3.270 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nc2ccccc2n1C)C(C)C ZINC000193312784 497346631 /nfs/dbraw/zinc/34/66/31/497346631.db2.gz DIRRQHNEVXSMOT-IBGZPJMESA-N 0 3 369.513 3.071 20 30 FGEDHN COc1ccc(CC[C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279216549 497370563 /nfs/dbraw/zinc/37/05/63/497370563.db2.gz CIYGRVQIKMSAKK-OXJNMPFZSA-N 0 3 361.445 3.387 20 30 FGEDHN COc1ccc(CCCN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279227351 497374073 /nfs/dbraw/zinc/37/40/73/497374073.db2.gz DJQQMROXBHGVSB-FQEVSTJZSA-N 0 3 361.445 3.340 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000190175028 497386601 /nfs/dbraw/zinc/38/66/01/497386601.db2.gz ZEQMPPTXGTVOHB-ICSRJNTNSA-N 0 3 357.498 3.104 20 30 FGEDHN CN(CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1F ZINC000279296714 497397323 /nfs/dbraw/zinc/39/73/23/497397323.db2.gz LPTZJEQMXZBFSH-GOSISDBHSA-N 0 3 364.424 3.022 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OC3CCCC3)CC2)cc1 ZINC000279344642 497413096 /nfs/dbraw/zinc/41/30/96/497413096.db2.gz QAVAZMIBXCTEGO-GOSISDBHSA-N 0 3 351.450 3.191 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)[C@H](O)c2ccccc2)CC1 ZINC000279449468 497441466 /nfs/dbraw/zinc/44/14/66/497441466.db2.gz FYRKUULQZPPAPK-VQTJNVASSA-N 0 3 359.514 3.228 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccncc2)c(OC)c1 ZINC000245581023 497465566 /nfs/dbraw/zinc/46/55/66/497465566.db2.gz IUSRHUQNVFJZNT-UXHICEINSA-N 0 3 368.477 3.396 20 30 FGEDHN COc1c(Br)cc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000569331108 505909840 /nfs/dbraw/zinc/90/98/40/505909840.db2.gz AOZZCGKRTIIZDU-JTQLQIEISA-N 0 3 360.639 3.071 20 30 FGEDHN CO[C@@H]1CCC[C@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000279617951 497488291 /nfs/dbraw/zinc/48/82/91/497488291.db2.gz GMJZCUTWVBSCIW-FXAWDEMLSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@H](NCc1ccccc1CN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271931555 497490877 /nfs/dbraw/zinc/49/08/77/497490877.db2.gz LDVUKUUWHKPLSW-INIZCTEOSA-N 0 3 353.441 3.380 20 30 FGEDHN COc1ccc(OC)c([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000279816296 497551465 /nfs/dbraw/zinc/55/14/65/497551465.db2.gz XSLOHZHQVKPEJI-WMLDXEAASA-N 0 3 363.417 3.135 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000279875212 497572676 /nfs/dbraw/zinc/57/26/76/497572676.db2.gz CFQCYYONZJOXIP-QFBILLFUSA-N 0 3 363.392 3.410 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000272322003 497595436 /nfs/dbraw/zinc/59/54/36/497595436.db2.gz UMHOKHGDLADUBP-UHFFFAOYSA-N 0 3 353.397 3.254 20 30 FGEDHN CO[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000246098294 497620702 /nfs/dbraw/zinc/62/07/02/497620702.db2.gz JANUEPDQDPWVKV-UONOGXRCSA-N 0 3 361.511 3.184 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000268059115 497670039 /nfs/dbraw/zinc/67/00/39/497670039.db2.gz VGVXYQGOQGDGJG-AUUYWEPGSA-N 0 3 369.415 3.477 20 30 FGEDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)cc3Br)C2)[nH]1 ZINC000272622281 497681996 /nfs/dbraw/zinc/68/19/96/497681996.db2.gz YNKOBEOZKBAUQO-CQSZACIVSA-N 0 3 360.259 3.127 20 30 FGEDHN COc1ccc(C[C@@H](C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000280234486 497689810 /nfs/dbraw/zinc/68/98/10/497689810.db2.gz WGOZZOADPOTWMY-UZLBHIALSA-N 0 3 361.445 3.244 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272666135 497695994 /nfs/dbraw/zinc/69/59/94/497695994.db2.gz IZJCTPSQBIUIEP-SJLPKXTDSA-N 0 3 364.449 3.373 20 30 FGEDHN N#CCCn1cc(CN2CCc3cc[nH]c(=O)c3C2)c(-c2ccccc2)n1 ZINC000276953833 497697485 /nfs/dbraw/zinc/69/74/85/497697485.db2.gz AQJCFFDHNFXZDA-UHFFFAOYSA-N 0 3 359.433 3.123 20 30 FGEDHN COCCN(C)c1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000191233184 497750781 /nfs/dbraw/zinc/75/07/81/497750781.db2.gz ZFFMZTKBWYKYKQ-UHFFFAOYSA-N 0 3 352.482 3.446 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000329598613 497841088 /nfs/dbraw/zinc/84/10/88/497841088.db2.gz WMXLOEABYBRWEY-GDJRKYJOSA-N 0 3 359.495 3.488 20 30 FGEDHN N#Cc1cccc(CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000578389486 505928562 /nfs/dbraw/zinc/92/85/62/505928562.db2.gz SBKHMCPERFCCTE-OAQYLSRUSA-N 0 3 362.477 3.237 20 30 FGEDHN CS[C@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@@H]1N1CCCC1 ZINC000329619271 497847391 /nfs/dbraw/zinc/84/73/91/497847391.db2.gz QVCLPWBTHVMTJV-KBPBESRZSA-N 0 3 366.531 3.072 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000575175161 505936917 /nfs/dbraw/zinc/93/69/17/505936917.db2.gz IRWSWZZJQXAUJZ-SAABIXHNSA-N 0 3 358.438 3.007 20 30 FGEDHN Cc1cc(C2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1 ZINC000299607309 497867289 /nfs/dbraw/zinc/86/72/89/497867289.db2.gz IVFLLWNKXCULRA-UHFFFAOYSA-N 0 3 371.872 3.451 20 30 FGEDHN CN(C)C[C@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000575187054 505938949 /nfs/dbraw/zinc/93/89/49/505938949.db2.gz BFXUGGSRSPEDOS-SFHVURJKSA-N 0 3 355.869 3.216 20 30 FGEDHN C[C@@H]1C[C@@H](Nc2cc(C(=O)NC3CC3)c3ccccc3n2)CN1C1CC1 ZINC000329687935 497870642 /nfs/dbraw/zinc/87/06/42/497870642.db2.gz FXVSSDFTWKPGAX-UKRRQHHQSA-N 0 3 350.466 3.161 20 30 FGEDHN C[C@H]1CCCCCN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000329712193 497877464 /nfs/dbraw/zinc/87/74/64/497877464.db2.gz PSFYXZDXEHANCQ-KRWDZBQOSA-N 0 3 359.514 3.322 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329716630 497878562 /nfs/dbraw/zinc/87/85/62/497878562.db2.gz WROOTDQYXQLUAY-YSVLISHTSA-N 0 3 352.523 3.096 20 30 FGEDHN C[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)c2ccccc2NC1=O ZINC000329852242 497927346 /nfs/dbraw/zinc/92/73/46/497927346.db2.gz UOMSUAGYCJHURS-AWEZNQCLSA-N 0 3 356.470 3.314 20 30 FGEDHN Cn1cc(CN2CCOC[C@H](C3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000292259254 497942670 /nfs/dbraw/zinc/94/26/70/497942670.db2.gz YMGIMEXHSQOUJB-HXUWFJFHSA-N 0 3 350.466 3.207 20 30 FGEDHN CC(C)N1CCC[C@H](NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)C1 ZINC000329896960 497944156 /nfs/dbraw/zinc/94/41/56/497944156.db2.gz CSPMRKCOPCAXGV-LSDHHAIUSA-N 0 3 355.548 3.153 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000288924619 497945743 /nfs/dbraw/zinc/94/57/43/497945743.db2.gz VCAHSPMBTZLSHS-UKRRQHHQSA-N 0 3 361.467 3.026 20 30 FGEDHN N#CC1(CCCNc2ccccc2CN2CCC(CO)CC2)CCOCC1 ZINC000280917604 497948504 /nfs/dbraw/zinc/94/85/04/497948504.db2.gz CWSBRUZYDFEVRX-UHFFFAOYSA-N 0 3 371.525 3.403 20 30 FGEDHN CNC(=O)C1CCC(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000329914675 497950884 /nfs/dbraw/zinc/95/08/84/497950884.db2.gz PFTKYWWTTZTWAM-VIQWUECVSA-N 0 3 372.513 3.157 20 30 FGEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000280929893 497953683 /nfs/dbraw/zinc/95/36/83/497953683.db2.gz VWCLDXXKIPFCIU-FCHUYYIVSA-N 0 3 372.472 3.194 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000329929579 497956862 /nfs/dbraw/zinc/95/68/62/497956862.db2.gz NQHGTVCVPVMRLL-ZKIDJSGLSA-N 0 3 357.498 3.283 20 30 FGEDHN CN(CC1(O)CCCCCC1)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000329974570 497976402 /nfs/dbraw/zinc/97/64/02/497976402.db2.gz DEARARJZZBGOTA-HXUWFJFHSA-N 0 3 373.541 3.440 20 30 FGEDHN CC(C)NC(=O)NC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCCCC1 ZINC000329980140 497978720 /nfs/dbraw/zinc/97/87/20/497978720.db2.gz KTAARVUQLKFOJA-GOEBONIOSA-N 0 3 350.507 3.041 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301184894 497989033 /nfs/dbraw/zinc/98/90/33/497989033.db2.gz RDLZFFNGLHNBDJ-UHFFFAOYSA-N 0 3 372.469 3.283 20 30 FGEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000292384738 497995326 /nfs/dbraw/zinc/99/53/26/497995326.db2.gz XOTJJVLMZIMJSD-MJGOQNOKSA-N 0 3 371.481 3.420 20 30 FGEDHN O=C(NC1CC(N2CCCCC2)C1)c1cn(-c2ccccc2Cl)nn1 ZINC000330068436 498009059 /nfs/dbraw/zinc/00/90/59/498009059.db2.gz VJWZMJAIPCYLGH-UHFFFAOYSA-N 0 3 359.861 3.242 20 30 FGEDHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CCCc2c[nH]nc21 ZINC000330067373 498009813 /nfs/dbraw/zinc/00/98/13/498009813.db2.gz FLWGQATXXAGKCQ-RBUKOAKNSA-N 0 3 367.497 3.345 20 30 FGEDHN C=CCN(C(=O)CCCCC(=O)OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364541997 498013618 /nfs/dbraw/zinc/01/36/18/498013618.db2.gz YZAANYGSUPORON-LJQANCHMSA-N 0 3 358.482 3.009 20 30 FGEDHN COc1cccc([C@H](CNC(=O)N[C@H]2CCCSC2)N2CCCC2)c1 ZINC000330165170 498045924 /nfs/dbraw/zinc/04/59/24/498045924.db2.gz WRICGNOHVWSJTR-WMZOPIPTSA-N 0 3 363.527 3.231 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000281230416 498064453 /nfs/dbraw/zinc/06/44/53/498064453.db2.gz LBTMKSMGVXQLMA-QAPCUYQASA-N 0 3 366.864 3.323 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)CC1 ZINC000296488408 498064467 /nfs/dbraw/zinc/06/44/67/498064467.db2.gz CJESCLQMYRSGGN-WMZOPIPTSA-N 0 3 370.497 3.041 20 30 FGEDHN Cc1nc(CN2CCC(CNC(=O)[C@@H]3CCCN3C3CC3)CC2)oc1C ZINC000330223628 498068679 /nfs/dbraw/zinc/06/86/79/498068679.db2.gz NEMDPZWHOBUGFE-SFHVURJKSA-N 0 3 360.502 3.087 20 30 FGEDHN O=C(NC1CCN(C2CC2)CC1)c1cnn(-c2ccncc2)c1C(F)F ZINC000330230230 498070595 /nfs/dbraw/zinc/07/05/95/498070595.db2.gz WKLAWZIEEVFAJA-UHFFFAOYSA-N 0 3 361.396 3.136 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3nc4c(cc3C#N)CCC4)CC2)C[C@H](C)O1 ZINC000330323468 498105351 /nfs/dbraw/zinc/10/53/51/498105351.db2.gz SWOWDGJNUCCVDF-CALCHBBNSA-N 0 3 368.525 3.158 20 30 FGEDHN Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC000330338737 498110840 /nfs/dbraw/zinc/11/08/40/498110840.db2.gz VTYGTRVOBOMICZ-SFHVURJKSA-N 0 3 354.458 3.356 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000281473469 498162867 /nfs/dbraw/zinc/16/28/67/498162867.db2.gz HMGHNLZTYBQQFR-TZIWHRDSSA-N 0 3 371.525 3.274 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)C(C#N)CCc1ccccc1 ZINC000330689377 498174299 /nfs/dbraw/zinc/17/42/99/498174299.db2.gz VSNGHAMOXJBAMI-ZHALLVOQSA-N 0 3 369.509 3.253 20 30 FGEDHN CCc1nnc(NCC2(N3CCSCC3)CCCC2)c(C#N)c1CC ZINC000301633926 498199929 /nfs/dbraw/zinc/19/99/29/498199929.db2.gz VIRJVYOZUDFJTF-UHFFFAOYSA-N 0 3 359.543 3.247 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000296812568 498206527 /nfs/dbraw/zinc/20/65/27/498206527.db2.gz VBMQBAAMAHAHEX-INIZCTEOSA-N 0 3 359.539 3.319 20 30 FGEDHN COC(=O)c1cc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc(C)c1C ZINC000330889210 498211501 /nfs/dbraw/zinc/21/15/01/498211501.db2.gz OAUOTEROTHECHZ-OAHLLOKOSA-N 0 3 361.486 3.298 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCC[C@H]1CCO ZINC000286075369 498285527 /nfs/dbraw/zinc/28/55/27/498285527.db2.gz JUYXUETZMRYBES-OWCLPIDISA-N 0 3 361.511 3.160 20 30 FGEDHN C=C(C)CN1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301892387 498315543 /nfs/dbraw/zinc/31/55/43/498315543.db2.gz OMLMWFBSMBUGOY-UHFFFAOYSA-N 0 3 355.236 3.205 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000286451675 498401783 /nfs/dbraw/zinc/40/17/83/498401783.db2.gz JVUZIIARCAMYHU-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN CN(c1ccc(C#N)c([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000578825193 506029196 /nfs/dbraw/zinc/02/91/96/506029196.db2.gz OSEWKLOKYHDDAM-UHFFFAOYSA-N 0 3 365.437 3.005 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000282219298 498427866 /nfs/dbraw/zinc/42/78/66/498427866.db2.gz REDSMXNDPPFYGC-UHFFFAOYSA-N 0 3 358.461 3.189 20 30 FGEDHN Cc1c2ccccc2n(C)c1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000572714768 506034156 /nfs/dbraw/zinc/03/41/56/506034156.db2.gz YAKKRUHPBOQPIH-SFHVURJKSA-N 0 3 363.461 3.082 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000302216302 498447388 /nfs/dbraw/zinc/44/73/88/498447388.db2.gz PEQDOMCOAGXLRM-HZPDHXFCSA-N 0 3 372.469 3.182 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN2CCN([C@H]3CCSC3)CC2)cc1 ZINC000362160904 498469855 /nfs/dbraw/zinc/46/98/55/498469855.db2.gz LJDOUCGEXYGINP-INIZCTEOSA-N 0 3 370.440 3.060 20 30 FGEDHN CC(C)[C@@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331856557 498477718 /nfs/dbraw/zinc/47/77/18/498477718.db2.gz APUHWNUHKVEWLH-KRWDZBQOSA-N 0 3 374.554 3.099 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1)C1CCOCC1 ZINC000362252130 498481343 /nfs/dbraw/zinc/48/13/43/498481343.db2.gz BGIVJCLEDZQKCH-GOSISDBHSA-N 0 3 355.463 3.316 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CC[C@@H](N)c3cc(OC)ccc32)cc1OC ZINC000365490989 498494654 /nfs/dbraw/zinc/49/46/54/498494654.db2.gz KBUOZBRDHPDTSW-QGZVFWFLSA-N 0 3 368.433 3.319 20 30 FGEDHN Cc1ccc([C@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)c(C)c1 ZINC000365545702 498525180 /nfs/dbraw/zinc/52/51/80/498525180.db2.gz JPYXQGNJKVVTDP-RBBKRZOGSA-N 0 3 373.456 3.458 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000578909907 506050113 /nfs/dbraw/zinc/05/01/13/506050113.db2.gz OATNPFGTAHEMQW-UHFFFAOYSA-N 0 3 374.444 3.016 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c1C#N ZINC000581728278 506054555 /nfs/dbraw/zinc/05/45/55/506054555.db2.gz CKESEAMSBZYUIW-CYBMUJFWSA-N 0 3 372.538 3.355 20 30 FGEDHN N#CCCCCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000362852753 498567148 /nfs/dbraw/zinc/56/71/48/498567148.db2.gz RXBYZXPGMLKTHF-OAQYLSRUSA-N 0 3 354.498 3.378 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000581713102 506051089 /nfs/dbraw/zinc/05/10/89/506051089.db2.gz BMIZPLWQHXCQEQ-IDZYALCFSA-N 0 3 359.473 3.441 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000569988568 506063060 /nfs/dbraw/zinc/06/30/60/506063060.db2.gz RMRJRVVOGMVJNN-QGZVFWFLSA-N 0 3 367.415 3.264 20 30 FGEDHN COc1ccc(CN(CCN(C)C)Cc2ccc(F)cc2F)cc1C#N ZINC000570008979 506067417 /nfs/dbraw/zinc/06/74/17/506067417.db2.gz LNIZYZKGGQEODI-UHFFFAOYSA-N 0 3 359.420 3.409 20 30 FGEDHN C=C(C)COc1cc(CN2CCC3(CCN(C)C3=O)CC2)ccc1OC ZINC000365837626 498662944 /nfs/dbraw/zinc/66/29/44/498662944.db2.gz WOLLKMPMWYXSOS-UHFFFAOYSA-N 0 3 358.482 3.094 20 30 FGEDHN C[C@H]1CN(C2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC000363133703 498667808 /nfs/dbraw/zinc/66/78/08/498667808.db2.gz XDEVDWGKYMAKDW-INIZCTEOSA-N 0 3 366.427 3.242 20 30 FGEDHN Cc1cccc(OCCCNCCS(=O)(=O)c2cccc(C#N)c2)c1C ZINC000578996986 506070985 /nfs/dbraw/zinc/07/09/85/506070985.db2.gz XKNJLHVKIZASSL-UHFFFAOYSA-N 0 3 372.490 3.008 20 30 FGEDHN C=CCc1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc(OC)c1OC ZINC000287224971 498679694 /nfs/dbraw/zinc/67/96/94/498679694.db2.gz QJAGXBQNPLZYHS-MAUKXSAKSA-N 0 3 358.482 3.131 20 30 FGEDHN C=CCN1CCC([NH2+]Cc2cc(Br)c([O-])c(OCC)c2)CC1 ZINC000298264819 498713975 /nfs/dbraw/zinc/71/39/75/498713975.db2.gz GCBMLHRGGYZJEZ-UHFFFAOYSA-N 0 3 369.303 3.293 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCSC(C)(C)C)cc1 ZINC000287480923 498772336 /nfs/dbraw/zinc/77/23/36/498772336.db2.gz YYGKRCWRUKDEER-GFCCVEGCSA-N 0 3 369.512 3.026 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCC[C@@H](CO)C2)c1 ZINC000363346911 498773070 /nfs/dbraw/zinc/77/30/70/498773070.db2.gz ABLFRZCXNOOKHX-RBUKOAKNSA-N 0 3 357.498 3.033 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1C ZINC000283130199 498789795 /nfs/dbraw/zinc/78/97/95/498789795.db2.gz ZEWCEXKGSTZKCQ-RISCZKNCSA-N 0 3 370.375 3.403 20 30 FGEDHN N#C[C@H]1N(C(=O)c2cccc(CN3CCCC3)c2)CCC[C@@]12CCCCO2 ZINC000366191433 498815023 /nfs/dbraw/zinc/81/50/23/498815023.db2.gz UOWJFJDAYBTIQA-IRLDBZIGSA-N 0 3 367.493 3.350 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000366343023 498882532 /nfs/dbraw/zinc/88/25/32/498882532.db2.gz YROCPRVUMPHRED-LPHOPBHVSA-N 0 3 369.428 3.304 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000366343020 498882855 /nfs/dbraw/zinc/88/28/55/498882855.db2.gz YROCPRVUMPHRED-APWZRJJASA-N 0 3 369.428 3.304 20 30 FGEDHN CC(C)c1nnc2ccc(NC(=O)N3CCN(CCC(C)(C)C)CC3)cn21 ZINC000328727162 498916421 /nfs/dbraw/zinc/91/64/21/498916421.db2.gz CZXMESZKYFJBCX-UHFFFAOYSA-N 0 3 372.517 3.452 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328833318 498956241 /nfs/dbraw/zinc/95/62/41/498956241.db2.gz RSYZTSBXFLFWCQ-ZFVVBOAOSA-N 0 3 352.862 3.178 20 30 FGEDHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000328984317 499006588 /nfs/dbraw/zinc/00/65/88/499006588.db2.gz SUGKBNQXYBODNB-BIENJYKASA-N 0 3 357.479 3.199 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1C(F)F ZINC000329094676 499040253 /nfs/dbraw/zinc/04/02/53/499040253.db2.gz KPEXIRHEFCJRQY-STQMWFEESA-N 0 3 355.433 3.191 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291784634 499066807 /nfs/dbraw/zinc/06/68/07/499066807.db2.gz XVMJHWBZZPQEPO-SIIHOXLZSA-N 0 3 350.374 3.220 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000299464602 499067000 /nfs/dbraw/zinc/06/70/00/499067000.db2.gz SIMKWIYSJVOHDV-SFHVURJKSA-N 0 3 362.420 3.127 20 30 FGEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000329191585 499068191 /nfs/dbraw/zinc/06/81/91/499068191.db2.gz SKUFTPNYQHBOCQ-ZDUSSCGKSA-N 0 3 357.376 3.344 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000329250254 499083712 /nfs/dbraw/zinc/08/37/12/499083712.db2.gz UEXJURLELQAOEG-KXBFYZLASA-N 0 3 373.497 3.256 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000329309224 499096358 /nfs/dbraw/zinc/09/63/58/499096358.db2.gz QLMRVCBPYFBMIC-FQBWVUSXSA-N 0 3 351.535 3.036 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000329363735 499108970 /nfs/dbraw/zinc/10/89/70/499108970.db2.gz HRRFSXLBHJUPIS-ROUUACIJSA-N 0 3 369.469 3.094 20 30 FGEDHN Cc1cc(=O)c(C(=O)N[C@H](C)[C@H]2CCCN(C3CCC3)C2)cn1C1CC1 ZINC000329381307 499112251 /nfs/dbraw/zinc/11/22/51/499112251.db2.gz NYCIFGOUAVBKOV-CVEARBPZSA-N 0 3 357.498 3.449 20 30 FGEDHN O=C(Nc1nc(C2CCOCC2)cs1)N1CC[C@H](N2CCCCC2)C1 ZINC000329405346 499116107 /nfs/dbraw/zinc/11/61/07/499116107.db2.gz BQXDLWIJSOSTFV-HNNXBMFYSA-N 0 3 364.515 3.143 20 30 FGEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)C1 ZINC000329438730 499121635 /nfs/dbraw/zinc/12/16/35/499121635.db2.gz MMXYOPQXPDYKSD-DOTOQJQBSA-N 0 3 373.497 3.023 20 30 FGEDHN C[C@@H]1CC(CNC(=O)NCC2(N3CCSCC3)CCCC2)C[C@@H](C)O1 ZINC000329438408 499121705 /nfs/dbraw/zinc/12/17/05/499121705.db2.gz JQMYNBBRICAMHE-HZPDHXFCSA-N 0 3 369.575 3.055 20 30 FGEDHN N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)o1 ZINC000364139349 499122618 /nfs/dbraw/zinc/12/26/18/499122618.db2.gz SEVKZBRCZOBJIO-QGZVFWFLSA-N 0 3 365.433 3.041 20 30 FGEDHN COCc1cccc2sc(=NC(=O)N3CC[C@H]4CCN(C)C[C@H]43)[nH]c21 ZINC000329460221 499124795 /nfs/dbraw/zinc/12/47/95/499124795.db2.gz SAAXYYZCKIUUNW-TZMCWYRMSA-N 0 3 360.483 3.014 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)[C@H]2C1 ZINC000329464322 499125272 /nfs/dbraw/zinc/12/52/72/499125272.db2.gz UVYJECBBAPLYKL-QAPCUYQASA-N 0 3 352.438 3.445 20 30 FGEDHN C=CCN(C(=O)NCc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364166969 499126719 /nfs/dbraw/zinc/12/67/19/499126719.db2.gz RFCYDJOITVOOCQ-FQEVSTJZSA-N 0 3 350.466 3.054 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2NCc2ccncc2OCC(F)F)O1 ZINC000367036889 499137494 /nfs/dbraw/zinc/13/74/94/499137494.db2.gz PSNQCKCJNLJHLT-KLHDSHLOSA-N 0 3 351.397 3.055 20 30 FGEDHN C#CCOc1ccc(CN2CCC(C(=O)Nc3ncccc3C)CC2)cc1 ZINC000367230303 499165144 /nfs/dbraw/zinc/16/51/44/499165144.db2.gz YSXFPJPZFNACHC-UHFFFAOYSA-N 0 3 363.461 3.253 20 30 FGEDHN COCc1nccc([C@@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000367418272 499196681 /nfs/dbraw/zinc/19/66/81/499196681.db2.gz GUWXYOSZEUIUFT-FUHWJXTLSA-N 0 3 366.465 3.293 20 30 FGEDHN CCN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000370242021 499201318 /nfs/dbraw/zinc/20/13/18/499201318.db2.gz HJGVLWNIPQZRMY-VQIMIIECSA-N 0 3 350.466 3.194 20 30 FGEDHN C=CCC[C@@H](NCc1c(C)nn(C)c1N1CCCN(C)CC1)c1ccco1 ZINC000367617599 499218177 /nfs/dbraw/zinc/21/81/77/499218177.db2.gz QUSMRGUGKCCBCS-LJQANCHMSA-N 0 3 371.529 3.261 20 30 FGEDHN N#Cc1ccc2ncc(CN3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)n2c1 ZINC000367675732 499224017 /nfs/dbraw/zinc/22/40/17/499224017.db2.gz ZSQJIYXMVRZQAD-NJYVYQBISA-N 0 3 358.445 3.210 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000367693912 499225318 /nfs/dbraw/zinc/22/53/18/499225318.db2.gz NCLQNODMLVHBBQ-VYDXJSESSA-N 0 3 358.511 3.496 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)c2cccc(SCC#N)c2)c2ccccc2O1 ZINC000370504986 499226868 /nfs/dbraw/zinc/22/68/68/499226868.db2.gz OMOQCWZDOQBDSW-INIZCTEOSA-N 0 3 367.474 3.272 20 30 FGEDHN CCCCCCCCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371228790 499300172 /nfs/dbraw/zinc/30/01/72/499300172.db2.gz YLGYGMSOGQTRSK-PMACEKPBSA-N 0 3 366.594 3.404 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCN(C)[C@H]2c2ccccc2)c(C#N)c1C ZINC000368591292 499310979 /nfs/dbraw/zinc/31/09/79/499310979.db2.gz GSLFVJPJDAVUNS-JVPBZIDWSA-N 0 3 366.465 3.130 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)[C@@H]1OCCc2sccc21 ZINC000368629664 499315425 /nfs/dbraw/zinc/31/54/25/499315425.db2.gz AYNRFGPCGKYRJH-BZNIZROVSA-N 0 3 361.492 3.302 20 30 FGEDHN COCc1nccc([C@@H]2CCCN(CCCOc3ccc(C#N)cc3)C2)n1 ZINC000371439022 499326619 /nfs/dbraw/zinc/32/66/19/499326619.db2.gz QNBXKNDXMRHEBB-GOSISDBHSA-N 0 3 366.465 3.143 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000368855464 499339966 /nfs/dbraw/zinc/33/99/66/499339966.db2.gz SABDVQSYQZGGQT-UHFFFAOYSA-N 0 3 352.438 3.467 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2ccc(C#N)nc2)[C@H]1c1cccc(Cl)c1 ZINC000369358243 499395311 /nfs/dbraw/zinc/39/53/11/499395311.db2.gz KQCMUVXRZFDLTA-KBXCAEBGSA-N 0 3 354.841 3.029 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369564726 499418637 /nfs/dbraw/zinc/41/86/37/499418637.db2.gz NMAQKCNNNKVTAL-QOKNQOGYSA-N 0 3 369.490 3.196 20 30 FGEDHN CN(C)Cc1cccc(C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)c1 ZINC000369660430 499433169 /nfs/dbraw/zinc/43/31/69/499433169.db2.gz ITZGTEKZFINFDC-FQEVSTJZSA-N 0 3 362.477 3.019 20 30 FGEDHN C=CCOc1cccc(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000372442303 499435278 /nfs/dbraw/zinc/43/52/78/499435278.db2.gz LUXDIDNJERJXOI-QZTJIDSGSA-N 0 3 372.509 3.099 20 30 FGEDHN Cc1cc(CN2CCC(n3cnc(C#N)n3)CC2)cc(C)c1OC(F)F ZINC000373472370 499471865 /nfs/dbraw/zinc/47/18/65/499471865.db2.gz YAAXTRTWFBKWQS-UHFFFAOYSA-N 0 3 361.396 3.205 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(CN3CCCC3=O)CC2)c1 ZINC000378343855 499504374 /nfs/dbraw/zinc/50/43/74/499504374.db2.gz WPFCGXQFSPBICX-UHFFFAOYSA-N 0 3 355.482 3.204 20 30 FGEDHN COc1ccc(CN[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)cc1C#N ZINC000378428205 499515814 /nfs/dbraw/zinc/51/58/14/499515814.db2.gz RKCPCVMLKPUIOK-HNAYVOBHSA-N 0 3 355.463 3.080 20 30 FGEDHN CN(C(=O)CN[C@@H](c1ccccc1)C1CCOCC1)C1(C#N)CCCCC1 ZINC000378466345 499520496 /nfs/dbraw/zinc/52/04/96/499520496.db2.gz IYPPAKQMZWKXME-NRFANRHFSA-N 0 3 369.509 3.429 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000378487793 499523222 /nfs/dbraw/zinc/52/32/22/499523222.db2.gz KBZUJJPLEZYNAQ-ALKREAHSSA-N 0 3 363.889 3.015 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000383090759 499546502 /nfs/dbraw/zinc/54/65/02/499546502.db2.gz RXRFGNFMTHVIDO-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN CCc1nnc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c(C#N)c1CC ZINC000383089812 499546705 /nfs/dbraw/zinc/54/67/05/499546705.db2.gz QPPRPRSGQOKUEE-GOSISDBHSA-N 0 3 363.509 3.431 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000375726511 499549339 /nfs/dbraw/zinc/54/93/39/499549339.db2.gz WQLCSWWSYKWROV-XLIONFOSSA-N 0 3 365.481 3.336 20 30 FGEDHN N#Cc1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1F ZINC000404133110 499569652 /nfs/dbraw/zinc/56/96/52/499569652.db2.gz DUOZYJVGZQEFHV-FCHUYYIVSA-N 0 3 365.452 3.173 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CCC3)CC2)cc1 ZINC000376630638 499624713 /nfs/dbraw/zinc/62/47/13/499624713.db2.gz RZZMVXHWIAIFAG-AWEZNQCLSA-N 0 3 361.467 3.170 20 30 FGEDHN C=CCCCCCCNC(=O)N1CCC(N2CCN(CCC)CC2)CC1 ZINC000377042517 499656194 /nfs/dbraw/zinc/65/61/94/499656194.db2.gz JXXHIYJVOGAKOC-UHFFFAOYSA-N 0 3 364.578 3.325 20 30 FGEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000377434624 499690088 /nfs/dbraw/zinc/69/00/88/499690088.db2.gz GQZRTLPWVQTEFG-IBGZPJMESA-N 0 3 359.429 3.440 20 30 FGEDHN Cn1cc(CN2CCC(Nc3cccnc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000377626318 499712704 /nfs/dbraw/zinc/71/27/04/499712704.db2.gz KEPMXGALUWGNAL-UHFFFAOYSA-N 0 3 372.476 3.430 20 30 FGEDHN C=CCCCCCN(C)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000377777953 499732281 /nfs/dbraw/zinc/73/22/81/499732281.db2.gz JSEWLJICWVVABA-UHFFFAOYSA-N 0 3 371.525 3.086 20 30 FGEDHN CC[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC)cc1 ZINC000411435322 499739919 /nfs/dbraw/zinc/73/99/19/499739919.db2.gz CGTSLVFDNJFUNZ-IRXDYDNUSA-N 0 3 355.463 3.475 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(O)c1 ZINC000411452212 499742175 /nfs/dbraw/zinc/74/21/75/499742175.db2.gz IIUXREWJUBEXMO-LBPRGKRZSA-N 0 3 355.463 3.493 20 30 FGEDHN COc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414143105 499763976 /nfs/dbraw/zinc/76/39/76/499763976.db2.gz SFJSATFRJBLMMV-IIBYNOLFSA-N 0 3 363.461 3.327 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000412564456 499863773 /nfs/dbraw/zinc/86/37/73/499863773.db2.gz OMFQODMFGYYBIQ-UHFFFAOYSA-N 0 3 367.449 3.079 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415156436 499871412 /nfs/dbraw/zinc/87/14/12/499871412.db2.gz GJDJIIPIJKKTLR-VNHYZAJKSA-N 0 3 362.499 3.315 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415156433 499871420 /nfs/dbraw/zinc/87/14/20/499871420.db2.gz GJDJIIPIJKKTLR-UMVBOHGHSA-N 0 3 362.499 3.315 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c(C#N)cc1N(C)C ZINC000417122417 499978858 /nfs/dbraw/zinc/97/88/58/499978858.db2.gz BBSHDUFOPBTMJI-QGZVFWFLSA-N 0 3 355.486 3.025 20 30 FGEDHN C=CCCC(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425100593 500018960 /nfs/dbraw/zinc/01/89/60/500018960.db2.gz VKOBFZZJDPROGV-UHFFFAOYSA-N 0 3 354.292 3.352 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000429180824 500019632 /nfs/dbraw/zinc/01/96/32/500019632.db2.gz LAJBXKHNNBGSCG-YJYMSZOUSA-N 0 3 355.463 3.240 20 30 FGEDHN COc1ccc([C@H](CNc2ncc3c(c2C#N)CCC3)N(C)C)cc1OC ZINC000425206731 500043893 /nfs/dbraw/zinc/04/38/93/500043893.db2.gz YOWFGHFEJJRYLT-SFHVURJKSA-N 0 3 366.465 3.174 20 30 FGEDHN C=CCNC(=O)c1ccc(NC2CCN([C@H](C)c3ccncc3)CC2)nc1 ZINC000425238118 500052663 /nfs/dbraw/zinc/05/26/63/500052663.db2.gz MIBKVBVMULILRX-MRXNPFEDSA-N 0 3 365.481 3.030 20 30 FGEDHN C=CCN(C)CCN(CC)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000429702325 500126066 /nfs/dbraw/zinc/12/60/66/500126066.db2.gz NLVMLIFMEXIHLR-UHFFFAOYSA-N 0 3 373.526 3.039 20 30 FGEDHN C=CCN(C)CCN(CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429727540 500133536 /nfs/dbraw/zinc/13/35/36/500133536.db2.gz BZRGRCJOLYOBHL-CQSZACIVSA-N 0 3 359.430 3.146 20 30 FGEDHN CC(C)c1ccc(OCCNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000582288948 506177964 /nfs/dbraw/zinc/17/79/64/506177964.db2.gz MSPDSLPVAPGRGM-LJQANCHMSA-N 0 3 354.450 3.090 20 30 FGEDHN COc1cccc(COC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425534888 500136053 /nfs/dbraw/zinc/13/60/53/500136053.db2.gz MLRSVSRPRDDQEK-JXFKEZNVSA-N 0 3 354.450 3.137 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000425664750 500174276 /nfs/dbraw/zinc/17/42/76/500174276.db2.gz UUHXCCROFLXJAS-UTKZUKDTSA-N 0 3 364.493 3.434 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000426132897 500239500 /nfs/dbraw/zinc/23/95/00/500239500.db2.gz DBQNJNOCXGIZCA-UHFFFAOYSA-N 0 3 372.856 3.474 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C ZINC000430906184 500304828 /nfs/dbraw/zinc/30/48/28/500304828.db2.gz JABLXIQXOOACRF-PMACEKPBSA-N 0 3 369.509 3.190 20 30 FGEDHN O=C(CN1C[C@@H]2CCCC[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426777892 500319145 /nfs/dbraw/zinc/31/91/45/500319145.db2.gz ROJQRXVBMQXOOF-CALCHBBNSA-N 0 3 364.411 3.295 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nc(C(F)(F)F)n1)C(C)C ZINC000426813034 500323594 /nfs/dbraw/zinc/32/35/94/500323594.db2.gz UQPCUYOEDXHJPF-HNNXBMFYSA-N 0 3 370.419 3.232 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419374642 500358892 /nfs/dbraw/zinc/35/88/92/500358892.db2.gz QDIOPSVWRDPJQP-RTBURBONSA-N 0 3 353.853 3.275 20 30 FGEDHN C=CC[C@@H](C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000427261595 500375163 /nfs/dbraw/zinc/37/51/63/500375163.db2.gz ZFDGWEHUVDRSHI-FYYLOGMGSA-N 0 3 364.489 3.100 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000424069990 500447125 /nfs/dbraw/zinc/44/71/25/500447125.db2.gz WJDTWJPQKVEZNJ-MRXNPFEDSA-N 0 3 371.462 3.074 20 30 FGEDHN CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@@H](N)CCCC#N ZINC000424090222 500451044 /nfs/dbraw/zinc/45/10/44/500451044.db2.gz MEWYULYZLVXRAF-HNNXBMFYSA-N 0 3 370.266 3.346 20 30 FGEDHN CC(C)Oc1ccc(CNC(=O)[C@@H](N)CCCC#N)c(C(F)(F)F)c1 ZINC000424110118 500455451 /nfs/dbraw/zinc/45/54/51/500455451.db2.gz BZWXPIRASAFCQN-HNNXBMFYSA-N 0 3 357.376 3.130 20 30 FGEDHN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424115308 500456324 /nfs/dbraw/zinc/45/63/24/500456324.db2.gz ABFOWSOXNTVEON-XUVXKRRUSA-N 0 3 373.497 3.303 20 30 FGEDHN CC[C@H](CNC(=O)[C@H](N)CCCC#N)Cc1cccc(Br)c1 ZINC000424118734 500457425 /nfs/dbraw/zinc/45/74/25/500457425.db2.gz DTOAMKPHNZQIQA-XJKSGUPXSA-N 0 3 366.303 3.155 20 30 FGEDHN N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1ccnc2ccccc21 ZINC000428127094 500472219 /nfs/dbraw/zinc/47/22/19/500472219.db2.gz VOVDNWGOAKXJID-UHFFFAOYSA-N 0 3 368.444 3.341 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000424242911 500474056 /nfs/dbraw/zinc/47/40/56/500474056.db2.gz JPNNMKNTXWTJIZ-SJORKVTESA-N 0 3 361.559 3.487 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3cccc(F)c3C#N)CC2)C[C@@H](C)O1 ZINC000428220551 500483267 /nfs/dbraw/zinc/48/32/67/500483267.db2.gz IEQAPGIUKVDBEJ-IAGOWNOFSA-N 0 3 359.489 3.409 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000420814064 500507871 /nfs/dbraw/zinc/50/78/71/500507871.db2.gz WKTCAFVYLZNINZ-DOTOQJQBSA-N 0 3 368.506 3.472 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2cccc(F)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000428432749 500509097 /nfs/dbraw/zinc/50/90/97/500509097.db2.gz QYRZRWGCCGEODY-LAUBAEHRSA-N 0 3 369.488 3.336 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1 ZINC000432557755 500532532 /nfs/dbraw/zinc/53/25/32/500532532.db2.gz MXEBYKSQMJICHK-OAQYLSRUSA-N 0 3 364.493 3.437 20 30 FGEDHN C/C=C\C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000432914064 500590615 /nfs/dbraw/zinc/59/06/15/500590615.db2.gz CBPYVMGZCNSALW-MNKBLEIRSA-N 0 3 355.482 3.010 20 30 FGEDHN COC(=O)c1ccccc1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433021909 500607535 /nfs/dbraw/zinc/60/75/35/500607535.db2.gz ZLLQGGFHSPTCFK-GOSISDBHSA-N 0 3 365.433 3.436 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N1CCN([C@H](C)c2cccc(C#N)c2)CC(O)C1 ZINC000442672036 500609934 /nfs/dbraw/zinc/60/99/34/500609934.db2.gz HWZVOQWOLWGGLW-QZTJIDSGSA-N 0 3 374.488 3.231 20 30 FGEDHN CC[C@H](NCc1ccc(N2CCN(CC)CC2)nc1)c1ccc(C#N)cc1 ZINC000447529366 500618222 /nfs/dbraw/zinc/61/82/22/500618222.db2.gz JZKLRDPMNUMFSN-NRFANRHFSA-N 0 3 363.509 3.336 20 30 FGEDHN CC(C)c1ccc2ncc(C#N)c(N3CCCN([C@H](C)CO)CC3)c2c1 ZINC000447685269 500645074 /nfs/dbraw/zinc/64/50/74/500645074.db2.gz JMWJEGNWUIXFSX-MRXNPFEDSA-N 0 3 352.482 3.123 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433298713 500665144 /nfs/dbraw/zinc/66/51/44/500665144.db2.gz PNAWPPHVJBGJDB-NRFANRHFSA-N 0 3 366.461 3.439 20 30 FGEDHN C=CC[C@@H]1N(C(=O)NCCCN2CCCO[C@H](C)C2)CCCC1(C)C ZINC000447810395 500667299 /nfs/dbraw/zinc/66/72/99/500667299.db2.gz INPAJVYKXLUJBA-MSOLQXFVSA-N 0 3 351.535 3.264 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000437638579 500673123 /nfs/dbraw/zinc/67/31/23/500673123.db2.gz AUPQCFJWRHAEKH-NJAFHUGGSA-N 0 3 365.543 3.411 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000437638583 500673429 /nfs/dbraw/zinc/67/34/29/500673429.db2.gz AUPQCFJWRHAEKH-SZMVWBNQSA-N 0 3 365.543 3.411 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000433345800 500677491 /nfs/dbraw/zinc/67/74/91/500677491.db2.gz ZVTIQEHXTROLNV-YLJYHZDGSA-N 0 3 352.409 3.498 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(c3cccc(Cl)c3)CC2)c1 ZINC000570676054 506213110 /nfs/dbraw/zinc/21/31/10/506213110.db2.gz IHLYTWSXJHCMQX-UHFFFAOYSA-N 0 3 374.893 3.307 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000437992178 500726301 /nfs/dbraw/zinc/72/63/01/500726301.db2.gz JJNANAKUXQFPNM-JBACZVJFSA-N 0 3 371.525 3.274 20 30 FGEDHN C=CCOc1ccc(CN2CCN(CC(C)(C)O)C[C@H]2C)cc1Cl ZINC000438260986 500760195 /nfs/dbraw/zinc/76/01/95/500760195.db2.gz SJSVBRCWMARLRP-OAHLLOKOSA-N 0 3 352.906 3.182 20 30 FGEDHN COc1ccc([C@H](CNCc2ccc(C#N)c(C)c2)N(C)C)cc1OC ZINC000443965694 500784993 /nfs/dbraw/zinc/78/49/93/500784993.db2.gz XHXUAARIGGDDFC-IBGZPJMESA-N 0 3 353.466 3.276 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434354008 500831250 /nfs/dbraw/zinc/83/12/50/500831250.db2.gz CFCJQMZUKFFIQW-LJQANCHMSA-N 0 3 372.469 3.309 20 30 FGEDHN COCC1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444675135 500877116 /nfs/dbraw/zinc/87/71/16/500877116.db2.gz LOIPNNPJZWTNIV-UHFFFAOYSA-N 0 3 364.489 3.360 20 30 FGEDHN Cc1ccc([C@@]2(C)CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000434749976 500889263 /nfs/dbraw/zinc/88/92/63/500889263.db2.gz ZUVZDEMQIKAVAR-IRLDBZIGSA-N 0 3 350.462 3.270 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000439610602 500918081 /nfs/dbraw/zinc/91/80/81/500918081.db2.gz BSTYDYHZJNPPNA-DZJNRPSUSA-N 0 3 362.539 3.444 20 30 FGEDHN C=C(C)COc1cc(CNC[C@H](O)Cc2cccc(F)c2)ccc1OC ZINC000449361382 500986869 /nfs/dbraw/zinc/98/68/69/500986869.db2.gz JDWXIGKIUPVJHZ-LJQANCHMSA-N 0 3 359.441 3.482 20 30 FGEDHN C=CCOc1cccc(CN2CCC(n3cc(C(=O)OCC)cn3)CC2)c1 ZINC000449410540 500996654 /nfs/dbraw/zinc/99/66/54/500996654.db2.gz XEZYCSACFOOLIN-UHFFFAOYSA-N 0 3 369.465 3.462 20 30 FGEDHN COc1cc(CN2CCC=C(c3cn(C(C)C)nn3)CC2)ccc1C#N ZINC000449469955 501010903 /nfs/dbraw/zinc/01/09/03/501010903.db2.gz JCAGVMWQTORPAG-UHFFFAOYSA-N 0 3 351.454 3.419 20 30 FGEDHN CCO[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000449497472 501018608 /nfs/dbraw/zinc/01/86/08/501018608.db2.gz KLZLGEYWYQZREN-VQIMIIECSA-N 0 3 353.470 3.106 20 30 FGEDHN CC1(C)CCc2ccccc2[C@H](NCC(=O)N(CCC#N)CCC#N)C1 ZINC000440640106 501033120 /nfs/dbraw/zinc/03/31/20/501033120.db2.gz VDENRTHWIWTQOG-LJQANCHMSA-N 0 3 352.482 3.336 20 30 FGEDHN COc1cc(CNC[C@@H](CO)Cc2c(F)cccc2Cl)ccc1C#N ZINC000440827955 501054060 /nfs/dbraw/zinc/05/40/60/501054060.db2.gz SECIGWDWKXAFDI-AWEZNQCLSA-N 0 3 362.832 3.300 20 30 FGEDHN COc1cc(CNCCOc2ccc(Br)cc2)ccc1C#N ZINC000440833946 501055245 /nfs/dbraw/zinc/05/52/45/501055245.db2.gz UHQOZNGZKOVLDT-UHFFFAOYSA-N 0 3 361.239 3.498 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)[nH]c1C ZINC000450380639 501105919 /nfs/dbraw/zinc/10/59/19/501105919.db2.gz RRRHESXQCSRLNI-SFHVURJKSA-N 0 3 366.465 3.027 20 30 FGEDHN C[S@@](=O)C1(CNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000441386245 501131595 /nfs/dbraw/zinc/13/15/95/501131595.db2.gz UIFUYHVRIQUKQH-RUZDIDTESA-N 0 3 354.475 3.138 20 30 FGEDHN CC1CCC(N(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]2CCCO2)CC1 ZINC000441438524 501139360 /nfs/dbraw/zinc/13/93/60/501139360.db2.gz RSRKDHLMCZJIDS-JITJBCMDSA-N 0 3 369.509 3.234 20 30 FGEDHN C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CCN(C2CC2)C1 ZINC000450548768 501151592 /nfs/dbraw/zinc/15/15/92/501151592.db2.gz UCPSVMNJBQJKLM-NSHDSACASA-N 0 3 360.383 3.444 20 30 FGEDHN C[C@H]1CCCCN1CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442050554 501193682 /nfs/dbraw/zinc/19/36/82/501193682.db2.gz NBWDDHDREWZIQM-LBPRGKRZSA-N 0 3 370.375 3.453 20 30 FGEDHN Cc1ccc2c(ncc(C#N)c2N2C[C@H]3CCN(C)[C@H]3C2)c1Br ZINC000450774696 501205801 /nfs/dbraw/zinc/20/58/01/501205801.db2.gz DMIZAPPTKSUEPL-DOMZBBRYSA-N 0 3 371.282 3.318 20 30 FGEDHN CC(=O)Nc1ccc(CN2CCC(Nc3nccc(C)c3C#N)CC2)cc1 ZINC000450784093 501208124 /nfs/dbraw/zinc/20/81/24/501208124.db2.gz HBCHUDNHTLDATK-UHFFFAOYSA-N 0 3 363.465 3.297 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000457660049 501280227 /nfs/dbraw/zinc/28/02/27/501280227.db2.gz LZVLKKJDGNHXML-LJQANCHMSA-N 0 3 368.506 3.382 20 30 FGEDHN C[C@H]1[C@@H](O)CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451451217 501295171 /nfs/dbraw/zinc/29/51/71/501295171.db2.gz CKJZBTCHCZYJFH-BBRMVZONSA-N 0 3 361.511 3.062 20 30 FGEDHN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000453416476 501326912 /nfs/dbraw/zinc/32/69/12/501326912.db2.gz WUEPMYCUEUISEO-HKUYNNGSSA-N 0 3 373.545 3.406 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453423230 501328627 /nfs/dbraw/zinc/32/86/27/501328627.db2.gz CLTFSWMQSXIVBW-GOSISDBHSA-N 0 3 369.513 3.005 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000453463641 501339387 /nfs/dbraw/zinc/33/93/87/501339387.db2.gz IZVKHGWNHRCTAJ-CTWPCTMYSA-N 0 3 373.545 3.406 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453468197 501340185 /nfs/dbraw/zinc/34/01/85/501340185.db2.gz XIXAZBAAYNEOEA-APAFKAMOSA-N 0 3 373.545 3.261 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000455770586 501382821 /nfs/dbraw/zinc/38/28/21/501382821.db2.gz XYISTHNDCQTAOW-CXAGYDPISA-N 0 3 369.856 3.391 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@H]2C1 ZINC000455773317 501383324 /nfs/dbraw/zinc/38/33/24/501383324.db2.gz PLWCXYMKSTXGAZ-YOEHRIQHSA-N 0 3 356.470 3.293 20 30 FGEDHN Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000458232560 501399708 /nfs/dbraw/zinc/39/97/08/501399708.db2.gz SURNKVARYIXWEG-INIZCTEOSA-N 0 3 367.449 3.213 20 30 FGEDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000452038782 501422775 /nfs/dbraw/zinc/42/27/75/501422775.db2.gz YIIPMRPNKINXRP-KFKAGJAMSA-N 0 3 361.461 3.398 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CNC(C)(C)CN2CCCC2)c1C ZINC000452080155 501430857 /nfs/dbraw/zinc/43/08/57/501430857.db2.gz BHRXWKLPIQKJPA-UHFFFAOYSA-N 0 3 356.514 3.014 20 30 FGEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000456061778 501446750 /nfs/dbraw/zinc/44/67/50/501446750.db2.gz KOGBGYYJFYTTKH-ZWOKBUDYSA-N 0 3 353.510 3.316 20 30 FGEDHN CC[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000454243323 501490500 /nfs/dbraw/zinc/49/05/00/501490500.db2.gz FFPFVQYVNHFAJG-FFZOFVMBSA-N 0 3 354.498 3.205 20 30 FGEDHN N#Cc1nc(NC[C@H]2CCCN(Cc3cccs3)C2)sc1Cl ZINC000596101989 506260326 /nfs/dbraw/zinc/26/03/26/506260326.db2.gz NNPAAOOIJGUYPY-LLVKDONJSA-N 0 3 352.916 3.476 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000582506063 506262440 /nfs/dbraw/zinc/26/24/40/506262440.db2.gz LDJZINBPEGCHDH-DYESRHJHSA-N 0 3 362.477 3.363 20 30 FGEDHN CC(C)OCCOC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000456810860 501603446 /nfs/dbraw/zinc/60/34/46/501603446.db2.gz URSWOELMJRNWFL-LJQANCHMSA-N 0 3 358.482 3.192 20 30 FGEDHN CC(C)(CC#N)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000459242512 501618294 /nfs/dbraw/zinc/61/82/94/501618294.db2.gz RUPMMNMTCGYBNO-OALUTQOASA-N 0 3 354.498 3.090 20 30 FGEDHN CC1(C)CCCN1CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000457058899 501642795 /nfs/dbraw/zinc/64/27/95/501642795.db2.gz QEMGANMXVOTIOG-UHFFFAOYSA-N 0 3 365.481 3.068 20 30 FGEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000457243494 501671209 /nfs/dbraw/zinc/67/12/09/501671209.db2.gz UTEMADUBACUBCH-LAUBAEHRSA-N 0 3 356.466 3.339 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)Nc2snc(C)c2C#N)N(C)C)cc1 ZINC000459552465 501674945 /nfs/dbraw/zinc/67/49/45/501674945.db2.gz UAUJVXYWQAFKEC-MRXNPFEDSA-N 0 3 357.483 3.310 20 30 FGEDHN Cc1cc(CN)cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000457377829 501690018 /nfs/dbraw/zinc/69/00/18/501690018.db2.gz NPUNXCHAHMVGSF-UHFFFAOYSA-N 0 3 354.479 3.376 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000460050216 501725590 /nfs/dbraw/zinc/72/55/90/501725590.db2.gz IJGJAKMYCJLWRZ-BBRMVZONSA-N 0 3 354.841 3.172 20 30 FGEDHN C=CCOc1ccc(CN(CCN2C(=O)NC(C)(C)C2=O)C(C)(C)C)cc1 ZINC000474175156 501731196 /nfs/dbraw/zinc/73/11/96/501731196.db2.gz KCMJPKQYMZXBCH-UHFFFAOYSA-N 0 3 373.497 3.182 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CNC2(CCO)CCCCC2)cc1 ZINC000474278599 501772538 /nfs/dbraw/zinc/77/25/38/501772538.db2.gz QCONXNKBZFVFFO-UHFFFAOYSA-N 0 3 373.497 3.007 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])c(C#N)c2)cc1 ZINC000463660948 501788023 /nfs/dbraw/zinc/78/80/23/501788023.db2.gz OPXLEPYSTYIMMO-UHFFFAOYSA-N 0 3 354.410 3.061 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000470758324 501794062 /nfs/dbraw/zinc/79/40/62/501794062.db2.gz WLFHVCZGSOZTFT-MRXNPFEDSA-N 0 3 355.344 3.158 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000477823605 501799673 /nfs/dbraw/zinc/79/96/73/501799673.db2.gz UTTMRJZGHMHZIJ-UHFFFAOYSA-N 0 3 359.518 3.179 20 30 FGEDHN COc1ccc(F)cc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470830219 501820990 /nfs/dbraw/zinc/82/09/90/501820990.db2.gz HFKAUHOPZPJJFK-XJKSGUPXSA-N 0 3 351.381 3.266 20 30 FGEDHN C=CCSc1ccccc1C(=O)NCCCCN1CCN(CC)CC1 ZINC000485463250 501827417 /nfs/dbraw/zinc/82/74/17/501827417.db2.gz HZYITZHTKTVHPW-UHFFFAOYSA-N 0 3 361.555 3.112 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000485470107 501829387 /nfs/dbraw/zinc/82/93/87/501829387.db2.gz XCSKRXCQYASSGQ-PKOBYXMFSA-N 0 3 373.566 3.063 20 30 FGEDHN C=CCNC(=O)c1ccc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000470873691 501838348 /nfs/dbraw/zinc/83/83/48/501838348.db2.gz PFVYLAHAADYDLF-FQEVSTJZSA-N 0 3 364.493 3.098 20 30 FGEDHN C=C(C)CN(CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1 ZINC000470915361 501854593 /nfs/dbraw/zinc/85/45/93/501854593.db2.gz ZGKYXHZDZIVRQQ-UHFFFAOYSA-N 0 3 350.462 3.454 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000470916585 501854984 /nfs/dbraw/zinc/85/49/84/501854984.db2.gz JYAWYRQEVKBFPR-GOSISDBHSA-N 0 3 355.434 3.233 20 30 FGEDHN N#Cc1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000481710306 501858573 /nfs/dbraw/zinc/85/85/73/501858573.db2.gz GWKICEDSRIBURU-GOSISDBHSA-N 0 3 352.413 3.483 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000470943896 501863726 /nfs/dbraw/zinc/86/37/26/501863726.db2.gz FGAARTFYTRJAIN-IIDMSEBBSA-N 0 3 351.356 3.191 20 30 FGEDHN C[C@@H](NC1(CNC(=O)CCCCCC#N)CCOCC1)c1ccccc1 ZINC000588365258 506278834 /nfs/dbraw/zinc/27/88/34/506278834.db2.gz JABNUKBROLSJNL-GOSISDBHSA-N 0 3 357.498 3.477 20 30 FGEDHN COc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1Cl ZINC000471039390 501900040 /nfs/dbraw/zinc/90/00/40/501900040.db2.gz UZQAGGJLVLTRNB-MRXNPFEDSA-N 0 3 353.809 3.219 20 30 FGEDHN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000588374307 506282092 /nfs/dbraw/zinc/28/20/92/506282092.db2.gz GOTNVQMTQXNEPY-KUHUBIRLSA-N 0 3 354.429 3.360 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3ccc([N+](=O)[O-])cc3F)CC2)nc1 ZINC000478276717 501928601 /nfs/dbraw/zinc/92/86/01/501928601.db2.gz OPSWGQSMFAJIFZ-UHFFFAOYSA-N 0 3 370.384 3.480 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000485853160 501961817 /nfs/dbraw/zinc/96/18/17/501961817.db2.gz ZJPQCVOYQMQKDK-BBRMVZONSA-N 0 3 353.447 3.258 20 30 FGEDHN C=CC[C@H](C(=O)N1CCN(c2ccncc2OC)CC1)c1ccccc1 ZINC000478485544 501997441 /nfs/dbraw/zinc/99/74/41/501997441.db2.gz YHPRSCKPRLRTSZ-SFHVURJKSA-N 0 3 351.450 3.099 20 30 FGEDHN C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCC[C@H](C)C1 ZINC000468251996 502005769 /nfs/dbraw/zinc/00/57/69/502005769.db2.gz LNBYHIRQHDRCNO-LSDHHAIUSA-N 0 3 352.438 3.063 20 30 FGEDHN C=CCOc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)cc1 ZINC000475092688 502054961 /nfs/dbraw/zinc/05/49/61/502054961.db2.gz URLNNBMNEYPLBM-ICSRJNTNSA-N 0 3 372.488 3.029 20 30 FGEDHN CN(Cc1ccc(Br)o1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471738502 502124392 /nfs/dbraw/zinc/12/43/92/502124392.db2.gz BMKCEHKIVRTIHY-CQSZACIVSA-N 0 3 372.222 3.255 20 30 FGEDHN C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)N1CCCCCC1 ZINC000468625740 502129545 /nfs/dbraw/zinc/12/95/45/502129545.db2.gz UNBHUFADXFTVLJ-BBRMVZONSA-N 0 3 364.287 3.394 20 30 FGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000486420127 502148872 /nfs/dbraw/zinc/14/88/72/502148872.db2.gz ALKWMJAPUFNDFK-OAHLLOKOSA-N 0 3 368.403 3.212 20 30 FGEDHN N#Cc1ccc(SCC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000482702541 502156483 /nfs/dbraw/zinc/15/64/83/502156483.db2.gz CQQJWUIOXATSPI-UHFFFAOYSA-N 0 3 365.502 3.215 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 ZINC000471951382 502181699 /nfs/dbraw/zinc/18/16/99/502181699.db2.gz JQIJXWGPWZVSBB-KRWDZBQOSA-N 0 3 360.392 3.220 20 30 FGEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475589590 502221301 /nfs/dbraw/zinc/22/13/01/502221301.db2.gz SYEKRUVVPPSFHI-CALCHBBNSA-N 0 3 369.575 3.136 20 30 FGEDHN COc1cnccc1N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000475630422 502235757 /nfs/dbraw/zinc/23/57/57/502235757.db2.gz FDKXSNGXTQSPDX-UHFFFAOYSA-N 0 3 366.465 3.095 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cn(C)nc1-c1ccncc1 ZINC000582573330 506301723 /nfs/dbraw/zinc/30/17/23/506301723.db2.gz KQAFHNIGROERQF-UHFFFAOYSA-N 0 3 361.449 3.002 20 30 FGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ncc(Br)cn1 ZINC000486787440 502261067 /nfs/dbraw/zinc/26/10/67/502261067.db2.gz PEPJXSHZPQAZHW-JSGCOSHPSA-N 0 3 373.254 3.189 20 30 FGEDHN CCCC[C@@](C)(NCC(=O)NCC#N)c1cccc(Br)c1 ZINC000483071161 502263665 /nfs/dbraw/zinc/26/36/65/502263665.db2.gz PBJURRCWJOUABF-MRXNPFEDSA-N 0 3 352.276 3.084 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475756000 502282133 /nfs/dbraw/zinc/28/21/33/502282133.db2.gz QBGSUWQRHVJTNU-UHFFFAOYSA-N 0 3 350.466 3.087 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000465545452 502300535 /nfs/dbraw/zinc/30/05/35/502300535.db2.gz NJTDFTLBDGMQOQ-MANSERQUSA-N 0 3 363.546 3.188 20 30 FGEDHN Cc1cc(NC(=O)CCCC#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000462249737 502367085 /nfs/dbraw/zinc/36/70/85/502367085.db2.gz WBBIOAIURMVXQT-SFHVURJKSA-N 0 3 351.454 3.271 20 30 FGEDHN C=CCCC1(C(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)CC1 ZINC000476079189 502377920 /nfs/dbraw/zinc/37/79/20/502377920.db2.gz LXYTXJQLFZBKAF-UHFFFAOYSA-N 0 3 371.525 3.022 20 30 FGEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000483427051 502386785 /nfs/dbraw/zinc/38/67/85/502386785.db2.gz QNSPWJUPPLINBG-UHFFFAOYSA-N 0 3 355.404 3.192 20 30 FGEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469458478 502425542 /nfs/dbraw/zinc/42/55/42/502425542.db2.gz FZZXTOMHZXLLDT-QFBILLFUSA-N 0 3 352.482 3.357 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CCN1C ZINC000469471949 502429259 /nfs/dbraw/zinc/42/92/59/502429259.db2.gz FSNWULVQFXKOQF-IAGOWNOFSA-N 0 3 352.482 3.500 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCCOc2ccc(C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000480172106 502490757 /nfs/dbraw/zinc/49/07/57/502490757.db2.gz MGKKRXOHMKFENH-NJYVYQBISA-N 0 3 352.434 3.152 20 30 FGEDHN COc1ccccc1[C@@H](CNc1ccc(C#N)c(C)n1)N1CCCCC1 ZINC000488053795 502613828 /nfs/dbraw/zinc/61/38/28/502613828.db2.gz FEKOSLFKRDOYCN-LJQANCHMSA-N 0 3 350.466 3.331 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466778879 502674775 /nfs/dbraw/zinc/67/47/75/502674775.db2.gz QZGSIQWTUOSWQH-OXJNMPFZSA-N 0 3 354.498 3.209 20 30 FGEDHN C=CCCCCNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000477122431 502684090 /nfs/dbraw/zinc/68/40/90/502684090.db2.gz IAPCGXABEVUGQS-HXUWFJFHSA-N 0 3 371.525 3.048 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCCc2cccc(C#N)c2)c1 ZINC000466824883 502695531 /nfs/dbraw/zinc/69/55/31/502695531.db2.gz VSLPBERLZVZASE-UHFFFAOYSA-N 0 3 364.493 3.183 20 30 FGEDHN C=CCn1c(SC[C@H]2CCN(C)C2)nnc1[C@@H]1COc2ccccc2O1 ZINC000473798711 502709747 /nfs/dbraw/zinc/70/97/47/502709747.db2.gz OMMGEAABTDXCSN-YOEHRIQHSA-N 0 3 372.494 3.020 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1c(C)nc2ccccc21)C(C)C ZINC000513020321 502832076 /nfs/dbraw/zinc/83/20/76/502832076.db2.gz ODCHRUUWCCBDDR-HXUWFJFHSA-N 0 3 354.498 3.160 20 30 FGEDHN N#CCCCOc1cccc(CNCCn2cc(Br)cn2)c1 ZINC000513026344 502833559 /nfs/dbraw/zinc/83/35/59/502833559.db2.gz AXSPGKJAGKMOKN-UHFFFAOYSA-N 0 3 363.259 3.118 20 30 FGEDHN C=CCN1CC[C@@H](N(C)c2cc(C)nc3ccc(OC(F)F)cc32)C1=O ZINC000513045550 502838124 /nfs/dbraw/zinc/83/81/24/502838124.db2.gz DXXOOJZMMTVGSW-MRXNPFEDSA-N 0 3 361.392 3.368 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3cccc(C#N)c3C)cc2)CC1 ZINC000513048898 502838435 /nfs/dbraw/zinc/83/84/35/502838435.db2.gz ITOPLZUCUKBPCZ-UHFFFAOYSA-N 0 3 362.477 3.257 20 30 FGEDHN Cc1cc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000489004364 502858238 /nfs/dbraw/zinc/85/82/38/502858238.db2.gz CCUXOJAPKWLALE-ICSRJNTNSA-N 0 3 355.388 3.207 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2c(cnn2C(C)C)c1)C(C)C ZINC000495917487 502866221 /nfs/dbraw/zinc/86/62/21/502866221.db2.gz NODJKRAGCTUIKV-IBGZPJMESA-N 0 3 369.513 3.441 20 30 FGEDHN C=CCC[C@@H](O)CN[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513157635 502866671 /nfs/dbraw/zinc/86/66/71/502866671.db2.gz CIALEMNDRJQTQY-WBVHZDCISA-N 0 3 370.287 3.144 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](c3ccc4cccnc4n3)C2)cc1 ZINC000602890254 506339079 /nfs/dbraw/zinc/33/90/79/506339079.db2.gz ZKFMLBTXMIWNIX-GOSISDBHSA-N 0 3 371.444 3.320 20 30 FGEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCCC[C@H]1C ZINC000489112339 502882052 /nfs/dbraw/zinc/88/20/52/502882052.db2.gz CKTLKCQQGRKHAV-QGZVFWFLSA-N 0 3 350.528 3.447 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000496293998 502883722 /nfs/dbraw/zinc/88/37/22/502883722.db2.gz ZBWOLFVQUROSJQ-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN CC(C)N(CCCOc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000513233304 502886056 /nfs/dbraw/zinc/88/60/56/502886056.db2.gz WVUCNHBTCSXVDD-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN CCN1CCC[C@@H](CN(C)c2ccc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000509615108 502949464 /nfs/dbraw/zinc/94/94/64/502949464.db2.gz DBAGBHYNZOPBLX-OXJNMPFZSA-N 0 3 355.461 3.340 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)c1cc(C#N)cn1C)c1ccc(Cl)cc1 ZINC000513554188 502965069 /nfs/dbraw/zinc/96/50/69/502965069.db2.gz OBORQZWSFRCAAF-GOSISDBHSA-N 0 3 358.873 3.363 20 30 FGEDHN CC(C)n1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C)cnc21 ZINC000513671264 502996058 /nfs/dbraw/zinc/99/60/58/502996058.db2.gz HMGJDVWLTTWROW-HNNXBMFYSA-N 0 3 358.405 3.389 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000505833687 502996366 /nfs/dbraw/zinc/99/63/66/502996366.db2.gz UTGZRWYIPXROLN-IRXDYDNUSA-N 0 3 357.498 3.123 20 30 FGEDHN CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(OC)c(OC)c1 ZINC000510237951 503077328 /nfs/dbraw/zinc/07/73/28/503077328.db2.gz HLJADYWTVJJXGN-IIMJZQEZSA-N 0 3 361.486 3.187 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)N2CCC(F)(C#N)CC2)[C@H]1c1cccs1 ZINC000498028682 503090268 /nfs/dbraw/zinc/09/02/68/503090268.db2.gz RZOLEZMAULLVDG-HOCLYGCPSA-N 0 3 364.490 3.168 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000498199842 503129204 /nfs/dbraw/zinc/12/92/04/503129204.db2.gz ZRWAEVSXIXANEB-IBGZPJMESA-N 0 3 352.438 3.300 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)N(C)C ZINC000510512593 503129877 /nfs/dbraw/zinc/12/98/77/503129877.db2.gz PHWPOBSUGBKOFA-XJABCFGWSA-N 0 3 374.488 3.357 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2c(C)nn(C)c2nc1C)C(C)C ZINC000498360709 503167761 /nfs/dbraw/zinc/16/77/61/503167761.db2.gz SNPHXEJVRHFYGS-IBGZPJMESA-N 0 3 369.513 3.014 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000506929574 503196238 /nfs/dbraw/zinc/19/62/38/503196238.db2.gz RTMMPSZKTMGESA-KDOFPFPSSA-N 0 3 361.438 3.021 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCCc2cccc(C#N)c2)N(C)C)cc1 ZINC000514807400 503197266 /nfs/dbraw/zinc/19/72/66/503197266.db2.gz QRWSNVNYOKUALE-NRFANRHFSA-N 0 3 364.493 3.265 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2OC(F)F)cc1Cl ZINC000502563031 503226703 /nfs/dbraw/zinc/22/67/03/503226703.db2.gz JIXWXHPYNVOPCD-ZIAGYGMSSA-N 0 3 357.788 3.290 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@H]2CCCOC2)c1 ZINC000502617177 503240207 /nfs/dbraw/zinc/24/02/07/503240207.db2.gz PBUNIPXNGPMOBJ-QYZOEREBSA-N 0 3 357.498 3.343 20 30 FGEDHN CC(C)C[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)N1CCOCC1 ZINC000515007026 503248435 /nfs/dbraw/zinc/24/84/35/503248435.db2.gz BIMZKVUUGPRCLX-QGZVFWFLSA-N 0 3 369.431 3.414 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1C ZINC000498922724 503293879 /nfs/dbraw/zinc/29/38/79/503293879.db2.gz CVZUSRMFXKEGHQ-CVEARBPZSA-N 0 3 362.905 3.001 20 30 FGEDHN Cc1cccc(OCCCNCCS(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000515415207 503333548 /nfs/dbraw/zinc/33/35/48/503333548.db2.gz NXXREASJTICBQE-UHFFFAOYSA-N 0 3 372.490 3.008 20 30 FGEDHN COc1cc(CN(C)[C@@H]2CCC[C@H]2O)ccc1OCc1cccc(C#N)c1 ZINC000511537713 503339682 /nfs/dbraw/zinc/33/96/82/503339682.db2.gz PDZULMIKHNMCGF-WOJBJXKFSA-N 0 3 366.461 3.491 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccsc2Br)cc1 ZINC000511998120 503432020 /nfs/dbraw/zinc/43/20/20/503432020.db2.gz FSOLXCGWIVANBO-AWEZNQCLSA-N 0 3 374.263 3.381 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCC[C@]1(C)CO ZINC000493688750 503440394 /nfs/dbraw/zinc/44/03/94/503440394.db2.gz XIHOHXSHDZQYNA-DKSSEZFCSA-N 0 3 361.511 3.160 20 30 FGEDHN CCN(C(=O)Cc1noc(C)c1C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000499773732 503479630 /nfs/dbraw/zinc/47/96/30/503479630.db2.gz ANOCTMFNUYZEQH-QAPCUYQASA-N 0 3 366.465 3.081 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000508482327 503503041 /nfs/dbraw/zinc/50/30/41/503503041.db2.gz CUZMVXXRYUVMRR-BRWVUGGUSA-N 0 3 355.482 3.189 20 30 FGEDHN COC(=O)[C@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508643339 503536458 /nfs/dbraw/zinc/53/64/58/503536458.db2.gz HFWRXLIIQJYDIG-SFHVURJKSA-N 0 3 350.418 3.132 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000500278783 503595164 /nfs/dbraw/zinc/59/51/64/503595164.db2.gz IFJDXWVPWGECET-UHFFFAOYSA-N 0 3 369.490 3.371 20 30 FGEDHN C[C@H](NCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512618562 503596185 /nfs/dbraw/zinc/59/61/85/503596185.db2.gz IYGYONCZWZUYKT-SFHVURJKSA-N 0 3 366.484 3.166 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(CC)CC ZINC000494721861 503600413 /nfs/dbraw/zinc/60/04/13/503600413.db2.gz WWXRYHYOKPNCQF-CEXWTWQISA-N 0 3 355.482 3.237 20 30 FGEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508923860 503601223 /nfs/dbraw/zinc/60/12/23/503601223.db2.gz WYSQVNWEZBNHCB-UHFFFAOYSA-N 0 3 354.502 3.084 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc(OC)c1OC ZINC000512646097 503602483 /nfs/dbraw/zinc/60/24/83/503602483.db2.gz SSOQBTHQWIUVQH-OAGGEKHMSA-N 0 3 360.498 3.310 20 30 FGEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000494741395 503603058 /nfs/dbraw/zinc/60/30/58/503603058.db2.gz WZNKJJYYRQBQHM-HBGVWJBISA-N 0 3 363.461 3.419 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)C#N ZINC000512918691 503656090 /nfs/dbraw/zinc/65/60/90/503656090.db2.gz RYENCEBFCYREHT-UHFFFAOYSA-N 0 3 370.419 3.328 20 30 FGEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cnc1C(F)(F)F ZINC000529719897 503679982 /nfs/dbraw/zinc/67/99/82/503679982.db2.gz YJRUEFQECXYKTP-HNNXBMFYSA-N 0 3 366.387 3.109 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc1 ZINC000530051939 503815265 /nfs/dbraw/zinc/81/52/65/503815265.db2.gz SSTFIBXKHPXUNN-IXMYUCAJSA-N 0 3 361.832 3.348 20 30 FGEDHN N#CCCCOc1cccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000543619758 503830074 /nfs/dbraw/zinc/83/00/74/503830074.db2.gz NDVZYNUMSNLPDF-SFHVURJKSA-N 0 3 355.482 3.392 20 30 FGEDHN CCc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(C#N)c(F)c3)C2)ncn1 ZINC000540708406 503864413 /nfs/dbraw/zinc/86/44/13/503864413.db2.gz WXGVWOBHJOVVRR-RDTXWAMCSA-N 0 3 353.445 3.369 20 30 FGEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000540953399 503952590 /nfs/dbraw/zinc/95/25/90/503952590.db2.gz KFLCRPZWYNYGCF-LEWJYISDSA-N 0 3 361.445 3.339 20 30 FGEDHN C=CCOc1ccc(CNC[C@@H]2c3ccccc3C(=O)N2C)cc1OC ZINC000527811470 503956118 /nfs/dbraw/zinc/95/61/18/503956118.db2.gz ZXLUGRXTWDAHRC-GOSISDBHSA-N 0 3 352.434 3.177 20 30 FGEDHN C[C@@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000540976282 503961439 /nfs/dbraw/zinc/96/14/39/503961439.db2.gz LQKZMLZFKRETQX-DNVCBOLYSA-N 0 3 372.513 3.398 20 30 FGEDHN C=C(C)COc1cc(CN2CCC3(C[C@H]3C(=O)OC)CC2)ccc1OC ZINC000537624029 503979916 /nfs/dbraw/zinc/97/99/16/503979916.db2.gz GXWVQQORYUEOIE-KRWDZBQOSA-N 0 3 359.466 3.425 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(CC#N)cc1 ZINC000533891136 503982616 /nfs/dbraw/zinc/98/26/16/503982616.db2.gz KYOLUAYOFXMMGL-UHFFFAOYSA-N 0 3 357.404 3.235 20 30 FGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2ccccc2OC(F)(F)F)c1 ZINC000530640287 504036386 /nfs/dbraw/zinc/03/63/86/504036386.db2.gz HTMUYPAMWHSTNH-ZDUSSCGKSA-N 0 3 370.396 3.459 20 30 FGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)N(CC)CC ZINC000547310038 504054881 /nfs/dbraw/zinc/05/48/81/504054881.db2.gz HOXSKHMSVIUUEB-GJZGRUSLSA-N 0 3 357.376 3.386 20 30 FGEDHN C=CCn1c(SC[C@@H](O)CN(C)CC)nnc1-c1ccc(Cl)cc1 ZINC000518796282 504066305 /nfs/dbraw/zinc/06/63/05/504066305.db2.gz ZGZWEYIZHNKDHV-HNNXBMFYSA-N 0 3 366.918 3.189 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000544410048 504122440 /nfs/dbraw/zinc/12/24/40/504122440.db2.gz RPJORCKFPRCAPA-SFHVURJKSA-N 0 3 350.466 3.188 20 30 FGEDHN CC(C)(C)OC(=O)CCN(Cc1cc(C#N)ccc1F)C1CCOCC1 ZINC000519148859 504150679 /nfs/dbraw/zinc/15/06/79/504150679.db2.gz UHBKVMASUJEAMM-UHFFFAOYSA-N 0 3 362.445 3.410 20 30 FGEDHN CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000519187258 504160300 /nfs/dbraw/zinc/16/03/00/504160300.db2.gz VDICTTNCLSDBMT-UHFFFAOYSA-N 0 3 364.497 3.291 20 30 FGEDHN COc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccccc2C#N)c1 ZINC000528335702 504175491 /nfs/dbraw/zinc/17/54/91/504175491.db2.gz DAABOWHQMIRFHB-QUCCMNQESA-N 0 3 352.434 3.144 20 30 FGEDHN CC1CCC(OC2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000528379239 504197074 /nfs/dbraw/zinc/19/70/74/504197074.db2.gz JIIJZKNUBFLAOF-SKINQDTJSA-N 0 3 372.509 3.358 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000541623614 504203666 /nfs/dbraw/zinc/20/36/66/504203666.db2.gz SUIGYTRYZRXTJA-UHFFFAOYSA-N 0 3 371.868 3.125 20 30 FGEDHN Cc1cccc(NC2CCN(C[C@H](O)COc3ccccc3C#N)CC2)c1 ZINC000528418017 504215288 /nfs/dbraw/zinc/21/52/88/504215288.db2.gz WJDYJYZNWHIHDX-NRFANRHFSA-N 0 3 365.477 3.183 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Nc3nccc(C)n3)c2)CC1 ZINC000528449763 504229879 /nfs/dbraw/zinc/22/98/79/504229879.db2.gz QBEYPZQEQYOUDT-UHFFFAOYSA-N 0 3 365.481 3.299 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000528511191 504253873 /nfs/dbraw/zinc/25/38/73/504253873.db2.gz DRYFBGBXROPYBP-HKUYNNGSSA-N 0 3 372.852 3.105 20 30 FGEDHN CC(C)Cn1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000541994972 504328365 /nfs/dbraw/zinc/32/83/65/504328365.db2.gz OEVSAYURJAQWBW-GOSISDBHSA-N 0 3 355.461 3.308 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](C2CCOCC2)C1)C(C)C ZINC000535110160 504345243 /nfs/dbraw/zinc/34/52/43/504345243.db2.gz IRLFAIUUWHKPQG-PMACEKPBSA-N 0 3 363.546 3.143 20 30 FGEDHN COCC1(O)CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000538726670 504345720 /nfs/dbraw/zinc/34/57/20/504345720.db2.gz NCZHVPPIGYRYDE-UHFFFAOYSA-N 0 3 366.461 3.111 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CCCn3ccnc3)CC2)CC1 ZINC000542115661 504368204 /nfs/dbraw/zinc/36/82/04/504368204.db2.gz HXLBKTYXOWBMGP-UHFFFAOYSA-N 0 3 373.545 3.125 20 30 FGEDHN Cn1c2ccccc2cc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1=O ZINC000528783921 504378677 /nfs/dbraw/zinc/37/86/77/504378677.db2.gz MZDSJNKIJPGBKF-UHFFFAOYSA-N 0 3 373.456 3.206 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000545193886 504391472 /nfs/dbraw/zinc/39/14/72/504391472.db2.gz SZJSLVZVQYKUPE-DYESRHJHSA-N 0 3 359.473 3.227 20 30 FGEDHN C=CCc1ccc(OCC(=O)N(CCN(C)C)c2ccccc2)c(OC)c1 ZINC000520163337 504423327 /nfs/dbraw/zinc/42/33/27/504423327.db2.gz MYMBWPIJPDWBFW-UHFFFAOYSA-N 0 3 368.477 3.397 20 30 FGEDHN COc1cccc([C@@H]2C[C@H](C)CN2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000542254957 504424985 /nfs/dbraw/zinc/42/49/85/504424985.db2.gz PSAQPYMXCZENFC-NBCNXNJRSA-N 0 3 366.461 3.390 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c3cccnc23)CC1 ZINC000548430439 504443096 /nfs/dbraw/zinc/44/30/96/504443096.db2.gz CDEHVBCANNSSIB-UHFFFAOYSA-N 0 3 354.454 3.405 20 30 FGEDHN Cc1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c(OC(C)C)c1 ZINC000520398310 504490465 /nfs/dbraw/zinc/49/04/65/504490465.db2.gz ZSYIKSWFOIMFDO-HXUWFJFHSA-N 0 3 368.477 3.378 20 30 FGEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000539241550 504509016 /nfs/dbraw/zinc/50/90/16/504509016.db2.gz XAMFPUNTVUAVLU-NHCUHLMSSA-N 0 3 370.541 3.152 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC000529081929 504524388 /nfs/dbraw/zinc/52/43/88/504524388.db2.gz NLRPAMVUWYAFDB-HUUCEWRRSA-N 0 3 361.467 3.240 20 30 FGEDHN COCc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1C#N ZINC000529212422 504586949 /nfs/dbraw/zinc/58/69/49/504586949.db2.gz LORWADQQGFTFBI-PMACEKPBSA-N 0 3 364.449 3.272 20 30 FGEDHN CC(C#N)C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000539588531 504618126 /nfs/dbraw/zinc/61/81/26/504618126.db2.gz QFAZWYDDKYIABG-ZETCQYMHSA-N 0 3 366.042 3.411 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)CC1 ZINC000536136136 504644042 /nfs/dbraw/zinc/64/40/42/504644042.db2.gz PKFFKSRGYFAZHI-KBAYOESNSA-N 0 3 351.535 3.166 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@@H](NCc3ccc(C#N)cc3F)C2)c1 ZINC000532568418 504694965 /nfs/dbraw/zinc/69/49/65/504694965.db2.gz KGBFDYFTNPBBSQ-MRXNPFEDSA-N 0 3 355.413 3.083 20 30 FGEDHN C=CC1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000539828602 504705619 /nfs/dbraw/zinc/70/56/19/504705619.db2.gz JTYLVIBDOSZQBZ-UHFFFAOYSA-N 0 3 364.917 3.449 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C2CC2)C2CCC2)cc1 ZINC000521352316 504715681 /nfs/dbraw/zinc/71/56/81/504715681.db2.gz XTVUBSGRPLUYNJ-SJCJKPOMSA-N 0 3 361.467 3.073 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000543079451 504716042 /nfs/dbraw/zinc/71/60/42/504716042.db2.gz HUODDFAHDMDRNI-HUUCEWRRSA-N 0 3 365.433 3.413 20 30 FGEDHN COc1ccc(CN2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000532902408 504772255 /nfs/dbraw/zinc/77/22/55/504772255.db2.gz XQWMXNIXPOCEIB-UHFFFAOYSA-N 0 3 366.421 3.187 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000549250562 504773637 /nfs/dbraw/zinc/77/36/37/504773637.db2.gz YZWXJZRZHJEFBK-LJQANCHMSA-N 0 3 364.497 3.169 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)C(C)C ZINC000556128093 504802335 /nfs/dbraw/zinc/80/23/35/504802335.db2.gz ZGUPNDYNGZQECD-HXUWFJFHSA-N 0 3 354.498 3.053 20 30 FGEDHN N#Cc1cccc(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000553449834 504918082 /nfs/dbraw/zinc/91/80/82/504918082.db2.gz AGWBPTXUJSQPIK-HSZRJFAPSA-N 0 3 374.488 3.366 20 30 FGEDHN COc1ccccc1C1(CNCc2cnc3c(C#N)cnn3c2)CCCC1 ZINC000559871287 504941968 /nfs/dbraw/zinc/94/19/68/504941968.db2.gz NTWAMZCRLSIYAV-UHFFFAOYSA-N 0 3 361.449 3.211 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000560149471 505004580 /nfs/dbraw/zinc/00/45/80/505004580.db2.gz ZVMHHCAZWBXWQW-HSZRJFAPSA-N 0 3 374.488 3.390 20 30 FGEDHN N#Cc1cccc(C2(NC[C@H]3CN(Cc4ccccc4)CCCO3)CC2)c1 ZINC000560165626 505008232 /nfs/dbraw/zinc/00/82/32/505008232.db2.gz GMUGIQRZMDVSMO-QFIPXVFZSA-N 0 3 361.489 3.428 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000563002921 505016426 /nfs/dbraw/zinc/01/64/26/505016426.db2.gz MCPITZCQFGHQGE-ZYSHUDEJSA-N 0 3 374.387 3.045 20 30 FGEDHN Cc1ccc2c(c1)[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000563012517 505020291 /nfs/dbraw/zinc/02/02/91/505020291.db2.gz WCMGTXWSHSMZRV-KNQAVFIVSA-N 0 3 350.462 3.468 20 30 FGEDHN C=CCSCCNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000553843507 505023626 /nfs/dbraw/zinc/02/36/26/505023626.db2.gz PLIFYMFVHJOZPK-FQEVSTJZSA-N 0 3 359.539 3.213 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC000560527386 505115834 /nfs/dbraw/zinc/11/58/34/505115834.db2.gz KMSZERMCNZPPCE-QFIPXVFZSA-N 0 3 374.488 3.312 20 30 FGEDHN N#Cc1cccc(CC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000563465900 505147726 /nfs/dbraw/zinc/14/77/26/505147726.db2.gz ZQCPOOKHSZOVAS-QHCPKHFHSA-N 0 3 359.473 3.225 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(NC(=O)CC)ccc2Cl)CC1 ZINC000560959126 505216423 /nfs/dbraw/zinc/21/64/23/505216423.db2.gz XLFAIRBDOQPYFI-UHFFFAOYSA-N 0 3 364.877 3.460 20 30 FGEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCN(C2CCCCC2)CC1 ZINC000554619191 505224416 /nfs/dbraw/zinc/22/44/16/505224416.db2.gz SVYIVZFXEJGPEX-UHFFFAOYSA-N 0 3 366.513 3.289 20 30 FGEDHN C=CCSc1ccccc1C(=O)NCc1ccncc1OCCN(C)C ZINC000554779756 505263318 /nfs/dbraw/zinc/26/33/18/505263318.db2.gz OHKGCLYPPRFIJH-UHFFFAOYSA-N 0 3 371.506 3.230 20 30 FGEDHN COc1cc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccn1 ZINC000563929743 505279317 /nfs/dbraw/zinc/27/93/17/505279317.db2.gz MJBMFMSWLIFTHW-PBHICJAKSA-N 0 3 354.429 3.421 20 30 FGEDHN N#Cc1csc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000563978643 505293295 /nfs/dbraw/zinc/29/32/95/505293295.db2.gz MUFCJYURUNUOBE-UHFFFAOYSA-N 0 3 354.479 3.057 20 30 FGEDHN CS[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@H]1N(C)C ZINC000566872723 505296932 /nfs/dbraw/zinc/29/69/32/505296932.db2.gz WSRGNCURCJJEHG-CHWSQXEVSA-N 0 3 374.735 3.456 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@@H]2c3ccccc3CCN2C1=O)C(C)C ZINC000558227539 505339449 /nfs/dbraw/zinc/33/94/49/505339449.db2.gz OOVBZWGQZAHZAK-UXHICEINSA-N 0 3 367.493 3.247 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000552025225 505374059 /nfs/dbraw/zinc/37/40/59/505374059.db2.gz GJZJRCDJSLGAED-GOSISDBHSA-N 0 3 355.869 3.481 20 30 FGEDHN COC[C@@]1(CN[C@@H](C)c2ccc(C#N)c(F)c2)OCCc2ccccc21 ZINC000564379161 505400277 /nfs/dbraw/zinc/40/02/77/505400277.db2.gz KSYVRBYBYIGOGB-YCRPNKLZSA-N 0 3 354.425 3.463 20 30 FGEDHN C=CCn1c(COCC)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000564383422 505401519 /nfs/dbraw/zinc/40/15/19/505401519.db2.gz SBOVQKSBQCNJRI-QZTJIDSGSA-N 0 3 369.513 3.100 20 30 FGEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000555420367 505429056 /nfs/dbraw/zinc/42/90/56/505429056.db2.gz BVBJOKMEDDHTPZ-LNLFQRSKSA-N 0 3 355.482 3.421 20 30 FGEDHN CC1(N(CC(=O)NC2(C#N)CCC2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000561864581 505454021 /nfs/dbraw/zinc/45/40/21/505454021.db2.gz HEOFFQLXTSONMY-UHFFFAOYSA-N 0 3 369.465 3.112 20 30 FGEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000564624150 505472841 /nfs/dbraw/zinc/47/28/41/505472841.db2.gz NYALPAAEWCNNOR-KRWDZBQOSA-N 0 3 373.545 3.201 20 30 FGEDHN O[C@@H](CNCC#Cc1cccc(C(F)(F)F)c1)COCc1ccccc1 ZINC000567492786 505479415 /nfs/dbraw/zinc/47/94/15/505479415.db2.gz SPBGVNWAMFXEBL-IBGZPJMESA-N 0 3 363.379 3.224 20 30 FGEDHN Cc1c2cc(F)ccc2oc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000552493927 505502635 /nfs/dbraw/zinc/50/26/35/505502635.db2.gz PLWVFSJHTFBZMW-MRXNPFEDSA-N 0 3 354.381 3.282 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558951552 505536735 /nfs/dbraw/zinc/53/67/35/505536735.db2.gz UUVKYSVDSRBNJR-NJAFHUGGSA-N 0 3 365.905 3.223 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000567710608 505544895 /nfs/dbraw/zinc/54/48/95/505544895.db2.gz NRUKCLOFQUPZBX-UZLBHIALSA-N 0 3 370.424 3.135 20 30 FGEDHN COc1cc(CNC[C@@H](O)COc2c(C)ccc(C)c2C)ccc1C#N ZINC000567708904 505544982 /nfs/dbraw/zinc/54/49/82/505544982.db2.gz ZLKXZWPLEHOEMH-LJQANCHMSA-N 0 3 354.450 3.022 20 30 FGEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(CC#N)cc1 ZINC000564903033 505554481 /nfs/dbraw/zinc/55/44/81/505554481.db2.gz ZFBJCPJDTVMOQQ-UHFFFAOYSA-N 0 3 356.514 3.406 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000567824229 505566125 /nfs/dbraw/zinc/56/61/25/505566125.db2.gz GWLJXBLQGWVVHZ-UHFFFAOYSA-N 0 3 359.470 3.414 20 30 FGEDHN CN(Cc1ccccc1OC(F)(F)F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599260357 506387615 /nfs/dbraw/zinc/38/76/15/506387615.db2.gz ZIHJBPSRVRMZOI-OAHLLOKOSA-N 0 3 372.387 3.088 20 30 FGEDHN CCO[C@@H](CN1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CC1 ZINC000599277735 506395190 /nfs/dbraw/zinc/39/51/90/506395190.db2.gz SSVPKBWTBFXDTN-FQEVSTJZSA-N 0 3 350.466 3.044 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000599285536 506397835 /nfs/dbraw/zinc/39/78/35/506397835.db2.gz UJBNMJACTSRMRD-SFHVURJKSA-N 0 3 372.415 3.456 20 30 FGEDHN N#Cc1nnc2ccccc2c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596441809 506405761 /nfs/dbraw/zinc/40/57/61/506405761.db2.gz RACJANIPLRVDOF-UHFFFAOYSA-N 0 3 358.449 3.221 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC(=Cc3ccccc3F)CC2)CCOCC1 ZINC000599315146 506409611 /nfs/dbraw/zinc/40/96/11/506409611.db2.gz JYLFBWIOLWBLGM-IBGZPJMESA-N 0 3 358.457 3.376 20 30 FGEDHN CC(C)(CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCc2ccccc2C1 ZINC000612098354 506434150 /nfs/dbraw/zinc/43/41/50/506434150.db2.gz PCWZJTOEXJJANV-OAQYLSRUSA-N 0 3 354.498 3.159 20 30 FGEDHN CCc1ccc([C@@H](CNc2ccc(C(=O)OC)nc2C#N)N(C)C)cc1 ZINC000589104080 506441870 /nfs/dbraw/zinc/44/18/70/506441870.db2.gz TWHNRJADYUEYJI-LJQANCHMSA-N 0 3 352.438 3.017 20 30 FGEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1ccccc1OCC(=O)NC ZINC000612119267 506446465 /nfs/dbraw/zinc/44/64/65/506446465.db2.gz XZCUDHYYDMESCH-IBGZPJMESA-N 0 3 351.450 3.118 20 30 FGEDHN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1C#N ZINC000599437543 506456243 /nfs/dbraw/zinc/45/62/43/506456243.db2.gz SHYUZLHFCKXIKI-OAQYLSRUSA-N 0 3 350.462 3.487 20 30 FGEDHN C[C@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)CCc2ccc(Cl)cc21 ZINC000599451346 506461868 /nfs/dbraw/zinc/46/18/68/506461868.db2.gz WUFJWAGRDGTCEH-YJBOKZPZSA-N 0 3 362.901 3.373 20 30 FGEDHN CCC(C#N)(CC)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000599498685 506473519 /nfs/dbraw/zinc/47/35/19/506473519.db2.gz VJWJRAOOBDVIHE-QGZVFWFLSA-N 0 3 357.498 3.333 20 30 FGEDHN N#CC1(CNC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCC1 ZINC000582895350 506477423 /nfs/dbraw/zinc/47/74/23/506477423.db2.gz KXKJOABHXGSCHX-JOCHJYFZSA-N 0 3 366.509 3.378 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000589278690 506505645 /nfs/dbraw/zinc/50/56/45/506505645.db2.gz DBMRKIBLWOJMHW-QFIPXVFZSA-N 0 3 361.445 3.357 20 30 FGEDHN C[C@]1(NC(=O)NCCc2ccc(C#N)cc2)CCN(Cc2ccccc2)C1 ZINC000596668969 506522236 /nfs/dbraw/zinc/52/22/36/506522236.db2.gz DBEZAENWPWMVSS-QFIPXVFZSA-N 0 3 362.477 3.065 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@]1(CO)CCCN(Cc3ccccc3)C1)CC2 ZINC000589342750 506522864 /nfs/dbraw/zinc/52/28/64/506522864.db2.gz JEKFXIGMJBOHNK-PKTZIBPZSA-N 0 3 361.489 3.162 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596673155 506524707 /nfs/dbraw/zinc/52/47/07/506524707.db2.gz NEXDDSHGUZPQPW-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000582999795 506530926 /nfs/dbraw/zinc/53/09/26/506530926.db2.gz MXVKVQWYYMGMAZ-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)c(C(F)(F)F)c1 ZINC000589511358 506574452 /nfs/dbraw/zinc/57/44/52/506574452.db2.gz 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CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](CC)[C@@H]2CCCCO2)cc1 ZINC000594044329 506903160 /nfs/dbraw/zinc/90/31/60/506903160.db2.gz QKOGAISBDYYPRH-PMACEKPBSA-N 0 3 373.497 3.269 20 30 FGEDHN CN(C(=O)c1cc(F)c(C#N)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597388441 506926148 /nfs/dbraw/zinc/92/61/48/506926148.db2.gz CKTVBOBPUDNDPE-MRXNPFEDSA-N 0 3 355.388 3.183 20 30 FGEDHN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CCN1C ZINC000597423458 506945532 /nfs/dbraw/zinc/94/55/32/506945532.db2.gz RTGHPSBLVHZWQD-IBGZPJMESA-N 0 3 364.497 3.003 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CC[C@@H](Cc4ccncc4)C3)C2=O)cc1 ZINC000613179267 506954848 /nfs/dbraw/zinc/95/48/48/506954848.db2.gz RMXJFTSOEOUCNA-PZJWPPBQSA-N 0 3 360.461 3.013 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594198946 507003390 /nfs/dbraw/zinc/00/33/90/507003390.db2.gz WBMSUTDINZZUQT-WOJBJXKFSA-N 0 3 355.482 3.240 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000594205599 507007173 /nfs/dbraw/zinc/00/71/73/507007173.db2.gz VOTHASHAXOZSJG-UHFFFAOYSA-N 0 3 360.461 3.248 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C2 ZINC000594209834 507011383 /nfs/dbraw/zinc/01/13/83/507011383.db2.gz WLDJAFKMMVBPOL-OAQYLSRUSA-N 0 3 360.461 3.421 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594216780 507017055 /nfs/dbraw/zinc/01/70/55/507017055.db2.gz NEWZBEGVSMFXJO-KKSFZXQISA-N 0 3 360.461 3.419 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)N(C)C)cc1 ZINC000594217320 507017586 /nfs/dbraw/zinc/01/75/86/507017586.db2.gz UPPCQFSOMRRCSL-NRFANRHFSA-N 0 3 362.477 3.449 20 30 FGEDHN N#Cc1c(-n2cccn2)cccc1N1CCN(CCc2cccs2)CC1 ZINC000583882322 507027886 /nfs/dbraw/zinc/02/78/86/507027886.db2.gz CFQMTIFTQFRSHL-UHFFFAOYSA-N 0 3 363.490 3.170 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc2ccccc2n1CC#N ZINC000590920364 507029784 /nfs/dbraw/zinc/02/97/84/507029784.db2.gz OQFJLGYYEVFWDG-UHFFFAOYSA-N 0 3 366.490 3.430 20 30 FGEDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCCCCC#N)CC1 ZINC000597617986 507033597 /nfs/dbraw/zinc/03/35/97/507033597.db2.gz YIQDICFOFZHJMI-SFHVURJKSA-N 0 3 351.535 3.180 20 30 FGEDHN CSC1(CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)CCN(C)CC1 ZINC000594244692 507039028 /nfs/dbraw/zinc/03/90/28/507039028.db2.gz MXHMPQOKDFJFEO-UHFFFAOYSA-N 0 3 372.538 3.064 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)CC2(C#N)CCOCC2)N(CC)CC)cc1 ZINC000597693721 507063235 /nfs/dbraw/zinc/06/32/35/507063235.db2.gz YCIKHADRQAQSON-FQEVSTJZSA-N 0 3 371.525 3.459 20 30 FGEDHN Cc1ccccc1[C@@H](CO)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000591026705 507083773 /nfs/dbraw/zinc/08/37/73/507083773.db2.gz BCKPIHXNCICNAA-QGZVFWFLSA-N 0 3 369.490 3.069 20 30 FGEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000591051711 507093738 /nfs/dbraw/zinc/09/37/38/507093738.db2.gz CMSDAVOJJXZTFM-NRFANRHFSA-N 0 3 350.462 3.487 20 30 FGEDHN CC[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613497414 507118559 /nfs/dbraw/zinc/11/85/59/507118559.db2.gz IQFWNCPTTHRTEB-RTWAWAEBSA-N 0 3 350.462 3.329 20 30 FGEDHN CC(C)(CO)[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000597847398 507130070 /nfs/dbraw/zinc/13/00/70/507130070.db2.gz USFLBDKCHNQXDI-MJGOQNOKSA-N 0 3 351.450 3.030 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000594442934 507134942 /nfs/dbraw/zinc/13/49/42/507134942.db2.gz CZIBCRJQWMASHS-SFHVURJKSA-N 0 3 361.511 3.449 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000594445853 507137443 /nfs/dbraw/zinc/13/74/43/507137443.db2.gz LIQZZTHSXYWYJH-OAHLLOKOSA-N 0 3 362.886 3.491 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000594514672 507163878 /nfs/dbraw/zinc/16/38/78/507163878.db2.gz YWSVIBYVYZDAEZ-NRFANRHFSA-N 0 3 360.461 3.070 20 30 FGEDHN C[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000594515827 507166071 /nfs/dbraw/zinc/16/60/71/507166071.db2.gz SEXZBNCIVLTHCL-CQSZACIVSA-N 0 3 354.454 3.026 20 30 FGEDHN CS(=O)(=O)Nc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594521341 507170546 /nfs/dbraw/zinc/17/05/46/507170546.db2.gz UMKSUEGLNDDVTN-UHFFFAOYSA-N 0 3 355.463 3.099 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1C#N ZINC000597922551 507176770 /nfs/dbraw/zinc/17/67/70/507176770.db2.gz FZKUWWZYAITWEB-ZDUSSCGKSA-N 0 3 358.511 3.155 20 30 FGEDHN COC(=O)c1ccc(NC[C@@H]2CCCN(Cc3ccccc3)C2)c(C#N)n1 ZINC000594547389 507179174 /nfs/dbraw/zinc/17/91/74/507179174.db2.gz LCAVQAKNBZYEEP-KRWDZBQOSA-N 0 3 364.449 3.064 20 30 FGEDHN N#Cc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000598062662 507239350 /nfs/dbraw/zinc/23/93/50/507239350.db2.gz SUTBNGGDERYKKB-UHFFFAOYSA-N 0 3 368.868 3.249 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](O)COCc1ccccc1F ZINC000584287175 507259248 /nfs/dbraw/zinc/25/92/48/507259248.db2.gz WINWUKKRIAUFJL-RXVVDRJESA-N 0 3 354.425 3.242 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000591475752 507265383 /nfs/dbraw/zinc/26/53/83/507265383.db2.gz KDPSYGHFGRNMDY-JKSUJKDBSA-N 0 3 356.388 3.157 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(CCN(C)C)c1 ZINC000601134252 507272217 /nfs/dbraw/zinc/27/22/17/507272217.db2.gz DDQZWSZBOACTAL-AWEZNQCLSA-N 0 3 357.483 3.091 20 30 FGEDHN COc1cc(CNCCC2(O)CCN(c3ccccc3)CC2)ccc1C#N ZINC000601149457 507278029 /nfs/dbraw/zinc/27/80/29/507278029.db2.gz LVQZJZGEDBHOOW-UHFFFAOYSA-N 0 3 365.477 3.078 20 30 FGEDHN N#Cc1cc(N2CCN(c3ccnc4ccccc43)CC2)nc(C2CC2)n1 ZINC000601185903 507290970 /nfs/dbraw/zinc/29/09/70/507290970.db2.gz XNVLTXUBFCHYGX-UHFFFAOYSA-N 0 3 356.433 3.100 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000598200445 507310338 /nfs/dbraw/zinc/31/03/38/507310338.db2.gz WLNDLKSHRNAFJU-FDFHNCONSA-N 0 3 362.473 3.384 20 30 FGEDHN N#CC1(c2ccc(CN[C@H](CN3CCOCC3)c3ccccc3)cc2)CC1 ZINC000594919145 507313228 /nfs/dbraw/zinc/31/32/28/507313228.db2.gz OSJSISVYSMBANQ-JOCHJYFZSA-N 0 3 361.489 3.405 20 30 FGEDHN COC[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610604896 507317296 /nfs/dbraw/zinc/31/72/96/507317296.db2.gz CPWNVBGQBFXKDR-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN CC(=O)NCc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000594949652 507326191 /nfs/dbraw/zinc/32/61/91/507326191.db2.gz GJBDPCPDYSBZEM-UHFFFAOYSA-N 0 3 351.450 3.295 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)C1CC1 ZINC000614016869 507335435 /nfs/dbraw/zinc/33/54/35/507335435.db2.gz YDTAHNKTVJPUNQ-PZJWPPBQSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CCCSCCN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000595060955 507373437 /nfs/dbraw/zinc/37/34/37/507373437.db2.gz WVHNLZWBRCJYSU-HNNXBMFYSA-N 0 3 354.541 3.186 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000610774275 507385894 /nfs/dbraw/zinc/38/58/94/507385894.db2.gz FFFWAHASNRFAQG-IBGZPJMESA-N 0 3 366.440 3.113 20 30 FGEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159910 507389775 /nfs/dbraw/zinc/38/97/75/507389775.db2.gz ZLPDZJBVARBSTC-OAHLLOKOSA-N 0 3 371.506 3.328 20 30 FGEDHN N#CCN1CCC(N[C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000610813451 507399560 /nfs/dbraw/zinc/39/95/60/507399560.db2.gz HRLAMLGUEYVNSJ-MRXNPFEDSA-N 0 3 364.287 3.240 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCOCC3(CCCC3)C1)CCC2 ZINC000614222935 507412896 /nfs/dbraw/zinc/41/28/96/507412896.db2.gz SQIXIVJUXIURNY-UHFFFAOYSA-N 0 3 373.522 3.330 20 30 FGEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)c2cc(Br)ccc21 ZINC000595257646 507443059 /nfs/dbraw/zinc/44/30/59/507443059.db2.gz NAKUGGBEUQMEHF-CYBMUJFWSA-N 0 3 350.260 3.094 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297062 507453863 /nfs/dbraw/zinc/45/38/63/507453863.db2.gz PEHAVALPGCJNSV-HXUWFJFHSA-N 0 3 371.525 3.291 20 30 FGEDHN COc1ccccc1C(C)(C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610987413 507468925 /nfs/dbraw/zinc/46/89/25/507468925.db2.gz OMFMDNKUVQNRLD-QGZVFWFLSA-N 0 3 354.450 3.026 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000610989622 507469017 /nfs/dbraw/zinc/46/90/17/507469017.db2.gz JANGDVCPILCGPP-LEWJYISDSA-N 0 3 365.477 3.069 20 30 FGEDHN CN1CCN(CC2(C)CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595433498 507494342 /nfs/dbraw/zinc/49/43/42/507494342.db2.gz RHLGPHVUUIDJJY-IBGZPJMESA-N 0 3 360.933 3.254 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000598613514 507517645 /nfs/dbraw/zinc/51/76/45/507517645.db2.gz INXMDZPKGVEZKW-LSDHHAIUSA-N 0 3 352.276 3.186 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000614453062 507521234 /nfs/dbraw/zinc/52/12/34/507521234.db2.gz DJYOCKSZOLXIRT-HXUWFJFHSA-N 0 3 359.433 3.176 20 30 FGEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCc2ncsc2C1 ZINC000592189421 507531688 /nfs/dbraw/zinc/53/16/88/507531688.db2.gz UMEFXDZHPIVXGT-BEFAXECRSA-N 0 3 362.543 3.157 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000584845398 507537175 /nfs/dbraw/zinc/53/71/75/507537175.db2.gz HXORGAVJOZIPSP-LJQANCHMSA-N 0 3 373.859 3.433 20 30 FGEDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000611205329 507561756 /nfs/dbraw/zinc/56/17/56/507561756.db2.gz VAIORIVFXRKFPB-RTBURBONSA-N 0 3 357.498 3.297 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000611213684 507562984 /nfs/dbraw/zinc/56/29/84/507562984.db2.gz QASULQLIUPSHRG-UHFFFAOYSA-N 0 3 363.461 3.323 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCC(C)(C)C)cc1 ZINC000592255725 507563585 /nfs/dbraw/zinc/56/35/85/507563585.db2.gz QRPZWVHTVKZYSA-ZDUSSCGKSA-N 0 3 351.472 3.272 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000598718399 507566387 /nfs/dbraw/zinc/56/63/87/507566387.db2.gz AXXZGJQYLBBNKT-LJQANCHMSA-N 0 3 369.440 3.468 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CSc2ccc(Br)cc21 ZINC000598722938 507567444 /nfs/dbraw/zinc/56/74/44/507567444.db2.gz BWUMDZNGSPHVAR-WCQYABFASA-N 0 3 355.301 3.486 20 30 FGEDHN C[C@@]1(CNC(=O)N2CCC[C@@H](CC#N)C2)CCCN1Cc1ccccc1 ZINC000595588263 507578182 /nfs/dbraw/zinc/57/81/82/507578182.db2.gz HMAYQYCQENJBLJ-FPOVZHCZSA-N 0 3 354.498 3.376 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC[C@H](CC#N)C2)CCCN1Cc1ccccc1 ZINC000595588267 507578446 /nfs/dbraw/zinc/57/84/46/507578446.db2.gz HMAYQYCQENJBLJ-TZIWHRDSSA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1sc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c(C#N)c1C ZINC000598800832 507606812 /nfs/dbraw/zinc/60/68/12/507606812.db2.gz BJUHWLKHVHNNGS-ZYHUDNBSSA-N 0 3 362.373 3.159 20 30 FGEDHN C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@@H]3CCC[C@H](C#N)C3)c2)C1=O ZINC000585765457 507620177 /nfs/dbraw/zinc/62/01/77/507620177.db2.gz HTZDHNNJBRVBRI-AVBTWRTFSA-N 0 3 366.465 3.083 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000607183348 507648322 /nfs/dbraw/zinc/64/83/22/507648322.db2.gz DLVGOCOPAUPMOL-BBRMVZONSA-N 0 3 351.853 3.285 20 30 FGEDHN N#CC(CCN1CC[C@@H]2NC(=O)CC[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000595729087 507650330 /nfs/dbraw/zinc/65/03/30/507650330.db2.gz PVSMPOIMMKHDLP-KNQAVFIVSA-N 0 3 373.500 3.487 20 30 FGEDHN COC(=O)COc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394943 507661577 /nfs/dbraw/zinc/66/15/77/507661577.db2.gz WKCLTTYMZUWDPT-FQEVSTJZSA-N 0 3 350.418 3.277 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000586779693 507668987 /nfs/dbraw/zinc/66/89/87/507668987.db2.gz KIJTWQBLIFKPOK-DEOSSOPVSA-N 0 3 374.532 3.259 20 30 FGEDHN N#Cc1cnn2cc(CN[C@H]3CCCN(c4ccccc4Cl)C3)cnc12 ZINC000592504895 507684093 /nfs/dbraw/zinc/68/40/93/507684093.db2.gz CVIWGNYTLDIOIP-INIZCTEOSA-N 0 3 366.856 3.013 20 30 FGEDHN CN(c1ccccc1)[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000595825198 507702156 /nfs/dbraw/zinc/70/21/56/507702156.db2.gz CVICQNFYHSSFIV-KRWDZBQOSA-N 0 3 354.479 3.159 20 30 FGEDHN CN(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602550371 507746666 /nfs/dbraw/zinc/74/66/66/507746666.db2.gz BKDAPWAYPOKVNZ-HZPDHXFCSA-N 0 3 371.312 3.124 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCc4ccc(C#N)cc43)C2=O)cc1 ZINC000568144552 567938912 /nfs/dbraw/zinc/93/89/12/567938912.db2.gz PLCHAMOEGSUVDQ-SFTDATJTSA-N 0 3 356.429 3.202 20 30 FGEDHN C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823894546 609168476 /nfs/dbraw/zinc/16/84/76/609168476.db2.gz SSFMASMZNQSFRL-SJLPKXTDSA-N 0 3 368.485 3.087 20 30 FGEDHN CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823958800 609515957 /nfs/dbraw/zinc/51/59/57/609515957.db2.gz XGCJNZKJQXDWRM-GOSISDBHSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958800 609515959 /nfs/dbraw/zinc/51/59/59/609515959.db2.gz XGCJNZKJQXDWRM-GOSISDBHSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823958800 609515960 /nfs/dbraw/zinc/51/59/60/609515960.db2.gz XGCJNZKJQXDWRM-GOSISDBHSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958800 609515963 /nfs/dbraw/zinc/51/59/63/609515963.db2.gz XGCJNZKJQXDWRM-GOSISDBHSA-N 0 3 361.453 3.177 20 30 FGEDHN Cc1csc(C(C#N)C(=O)CSc2nncn2-c2ccc(C)cc2)n1 ZINC000041516987 695762988 /nfs/dbraw/zinc/76/29/88/695762988.db2.gz UXAHCGSXYMRULG-CQSZACIVSA-N 0 3 369.475 3.309 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)CC1 ZINC000078188627 700273996 /nfs/dbraw/zinc/27/39/96/700273996.db2.gz QFFJPFHVLXQVFY-UHFFFAOYSA-N 0 3 354.372 3.220 20 30 FGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(Cn3cncn3)cc2)n1 ZINC000080452472 700317612 /nfs/dbraw/zinc/31/76/12/700317612.db2.gz HEWQFOHEAMWGQO-OAHLLOKOSA-N 0 3 351.435 3.396 20 30 FGEDHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000112222375 700556594 /nfs/dbraw/zinc/55/65/94/700556594.db2.gz JYOWYLRKDGAYFU-HOTGVXAUSA-N 0 3 355.463 3.155 20 30 FGEDHN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000115904941 700588445 /nfs/dbraw/zinc/58/84/45/700588445.db2.gz ILXNKZGLTSTAKK-CQSZACIVSA-N 0 3 359.172 3.221 20 30 FGEDHN C[C@@H](CSCc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000122687678 700693956 /nfs/dbraw/zinc/69/39/56/700693956.db2.gz TXTBQTCMTZYIQV-GOEBONIOSA-N 0 3 353.447 3.298 20 30 FGEDHN Cc1cc(Cl)ccc1OCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126635578 700750897 /nfs/dbraw/zinc/75/08/97/700750897.db2.gz DMTBJYTYKCSCGY-INIZCTEOSA-N 0 3 356.809 3.053 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCCOC1 ZINC000171035451 705371565 /nfs/dbraw/zinc/37/15/65/705371565.db2.gz XOVDBSSGDGBDKG-MFKMUULPSA-N 0 3 354.378 3.075 20 30 FGEDHN C[C@]1(NCC(=O)N(CCC#N)c2cccc(Cl)c2)CCO[C@@H]1C1CC1 ZINC000374596181 713933058 /nfs/dbraw/zinc/93/30/58/713933058.db2.gz QCHDCBDGSSAOCS-MOPGFXCFSA-N 0 3 361.873 3.134 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nc(C)no1 ZINC000641993733 717943205 /nfs/dbraw/zinc/94/32/05/717943205.db2.gz QXPAPKOUBXFMKW-CYBMUJFWSA-N 0 3 362.503 3.037 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(C)oc1C ZINC000629107551 716216276 /nfs/dbraw/zinc/21/62/76/716216276.db2.gz CYFYNFIEQADPAP-UHFFFAOYSA-N 0 3 361.515 3.390 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C1CCOCC1 ZINC000629107828 716216554 /nfs/dbraw/zinc/21/65/54/716216554.db2.gz ZUSSGUCSWOBTRE-MRXNPFEDSA-N 0 3 364.559 3.400 20 30 FGEDHN C=CCOCCCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000795462920 723593244 /nfs/dbraw/zinc/59/32/44/723593244.db2.gz ATFOBKJASRANAQ-CYBMUJFWSA-N 0 3 372.248 3.482 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780305524 724457233 /nfs/dbraw/zinc/45/72/33/724457233.db2.gz KJFGXQBFMDIRBQ-UKTARXLSSA-N 0 3 366.389 3.074 20 30 FGEDHN C=CCC1(NCc2cn(-c3ccc(F)cc3Cl)nn2)CCOCC1 ZINC000657633810 719685436 /nfs/dbraw/zinc/68/54/36/719685436.db2.gz XVXHURYBZUJHBB-UHFFFAOYSA-N 0 3 350.825 3.275 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC(F)(F)c2ccccc2C)CC1 ZINC000660597254 720080147 /nfs/dbraw/zinc/08/01/47/720080147.db2.gz NQEIXQXRJCJIKM-UHFFFAOYSA-N 0 3 351.441 3.427 20 30 FGEDHN C#CCN(C[C@H](C)COC)[C@H]1CCOc2ccc(Br)cc21 ZINC000783565978 724765904 /nfs/dbraw/zinc/76/59/04/724765904.db2.gz AANWIVDOFHIBHV-BBRMVZONSA-N 0 3 352.272 3.490 20 30 FGEDHN N#CC(C(=O)CSC[C@@H]1CCCCO1)C(=O)Nc1ccccc1Cl ZINC000727626626 722445847 /nfs/dbraw/zinc/44/58/47/722445847.db2.gz DQSDJLPDFHKTOA-STQMWFEESA-N 0 3 366.870 3.290 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000747768462 722660055 /nfs/dbraw/zinc/66/00/55/722660055.db2.gz GPZYCBTWVVVTKB-AWEZNQCLSA-N 0 3 352.265 3.403 20 30 FGEDHN N#Cc1cccn(CNC2(c3ccc(Br)cc3)CCCC2)c1=O ZINC000758217747 722986448 /nfs/dbraw/zinc/98/64/48/722986448.db2.gz QBLWXUOPFJNOSP-UHFFFAOYSA-N 0 3 372.266 3.499 20 30 FGEDHN CC(C)Oc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000759832488 723023087 /nfs/dbraw/zinc/02/30/87/723023087.db2.gz DJYIKFRXYRYZEI-ZDUSSCGKSA-N 0 3 357.797 3.483 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000790714030 723169699 /nfs/dbraw/zinc/16/96/99/723169699.db2.gz ZPQKSNCVFXZFTA-GOEBONIOSA-N 0 3 360.329 3.252 20 30 FGEDHN C#C[C@@H](CCC)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000791744964 723276929 /nfs/dbraw/zinc/27/69/29/723276929.db2.gz FBZIMSBSJBBYRK-WMZOPIPTSA-N 0 3 352.400 3.359 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000796739745 723652763 /nfs/dbraw/zinc/65/27/63/723652763.db2.gz FFBOUDPJIYRLGN-JCKWVBRZSA-N 0 3 362.495 3.403 20 30 FGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)SC)cc1 ZINC000773772498 723822316 /nfs/dbraw/zinc/82/23/16/723822316.db2.gz WBLPVNIWWIXPNF-DOMZBBRYSA-N 0 3 362.451 3.042 20 30 FGEDHN C[C@@H](C#N)OCCN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000801931615 724347106 /nfs/dbraw/zinc/34/71/06/724347106.db2.gz JRACQBCCQZJCLQ-ZFWWWQNUSA-N 0 3 360.845 3.498 20 30 FGEDHN C=CCOCC(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000787054969 725015086 /nfs/dbraw/zinc/01/50/86/725015086.db2.gz YMRBJFVYGAWAFZ-GWCFXTLKSA-N 0 3 355.221 3.082 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=S)Nc2ccccc2C#N)cc1 ZINC000789391496 725126261 /nfs/dbraw/zinc/12/62/61/725126261.db2.gz CCBHWOJUSDWXGP-GOSISDBHSA-N 0 3 354.479 3.156 20 30 FGEDHN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NN[C@H]1CCSC1 ZINC000808002267 725179165 /nfs/dbraw/zinc/17/91/65/725179165.db2.gz YHSCPEKTPAHZRD-INIZCTEOSA-N 0 3 355.511 3.210 20 30 FGEDHN COc1cccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813213119 726851371 /nfs/dbraw/zinc/85/13/71/726851371.db2.gz IVPPXBBXEICCAZ-AWEZNQCLSA-N 0 3 350.296 3.364 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815908853 727106351 /nfs/dbraw/zinc/10/63/51/727106351.db2.gz KXBCOZGQVKOZAF-GFCCVEGCSA-N 0 3 356.744 3.015 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)NCCN2CCCCC2)s1 ZINC000819107669 727348412 /nfs/dbraw/zinc/34/84/12/727348412.db2.gz NJDCWPKTTWXJDE-UHFFFAOYSA-N 0 3 373.975 3.441 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C(C)C ZINC000823408464 729277444 /nfs/dbraw/zinc/27/74/44/729277444.db2.gz HUJCGUYUQSFXGB-CYBMUJFWSA-N 0 3 369.303 3.359 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000876999621 736173389 /nfs/dbraw/zinc/17/33/89/736173389.db2.gz FOGGJLSQGINWNB-JVXZTZIISA-N 0 3 367.621 3.374 20 30 FGEDHN C#C[C@@H](NCc1cc(Br)c(O)c(OCC)c1)C1CCOCC1 ZINC000827559186 729431753 /nfs/dbraw/zinc/43/17/53/729431753.db2.gz CHAZKOYLSUFZRX-OAHLLOKOSA-N 0 3 368.271 3.071 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)C#Cc3cccs3)c2)CC1 ZINC000828189857 729440991 /nfs/dbraw/zinc/44/09/91/729440991.db2.gz QEFYVAFHXWYXSX-UHFFFAOYSA-N 0 3 353.491 3.269 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000829262306 729470582 /nfs/dbraw/zinc/47/05/82/729470582.db2.gz UDYPKVFLXJLGNB-MRXNPFEDSA-N 0 3 359.857 3.315 20 30 FGEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000835062371 729854334 /nfs/dbraw/zinc/85/43/34/729854334.db2.gz SXERXVAGLDADRY-STQMWFEESA-N 0 3 356.394 3.464 20 30 FGEDHN C#CCN(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)C1CC1 ZINC000836764377 729968994 /nfs/dbraw/zinc/96/89/94/729968994.db2.gz JDQQTBXBLKSAQJ-UHFFFAOYSA-N 0 3 361.873 3.443 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000840710779 730164918 /nfs/dbraw/zinc/16/49/18/730164918.db2.gz UWWYWXVIHCBCFD-ZHZULCJRSA-N 0 3 360.479 3.261 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cnn(C)c1 ZINC000842289002 730481267 /nfs/dbraw/zinc/48/12/67/730481267.db2.gz NCHXIQQCQMPNBT-MFKMUULPSA-N 0 3 362.792 3.054 20 30 FGEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1c(Cl)cccc1Cl ZINC000847621715 731071409 /nfs/dbraw/zinc/07/14/09/731071409.db2.gz QIRKGEKGCYJNQL-ZDUSSCGKSA-N 0 3 371.264 3.178 20 30 FGEDHN CN(CCCN(C)c1cc(Br)cnc1C#N)Cc1ccco1 ZINC000853621379 731733543 /nfs/dbraw/zinc/73/35/43/731733543.db2.gz BXYGYVKRTWQGRM-UHFFFAOYSA-N 0 3 363.259 3.267 20 30 FGEDHN CC1C(NN=c2[nH]c3cccnc3s2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000857219218 732112736 /nfs/dbraw/zinc/11/27/36/732112736.db2.gz ZYOPKUYSEBSLCF-VIFPVBQESA-N 0 3 361.427 3.015 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN1CCC(C)(N2CCOCC2)CC1 ZINC000862504730 732842434 /nfs/dbraw/zinc/84/24/34/732842434.db2.gz MORSZZHYAOPHJB-UHFFFAOYSA-N 0 3 362.901 3.039 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000868221288 733572809 /nfs/dbraw/zinc/57/28/09/733572809.db2.gz FHEYJZHLINJHMW-GOEBONIOSA-N 0 3 359.436 3.471 20 30 FGEDHN C[C@@H]1CCn2cc(C(=O)C(C#N)C(=O)Nc3ccccc3Cl)nc2C1 ZINC000870138005 733815138 /nfs/dbraw/zinc/81/51/38/733815138.db2.gz ABYHWSHTKSYNDF-NEPJUHHUSA-N 0 3 356.813 3.080 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccsc1COC ZINC000870140087 733815509 /nfs/dbraw/zinc/81/55/09/733815509.db2.gz DUOJFHYLVFCFRK-CYBMUJFWSA-N 0 3 358.419 3.254 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000876592000 736117966 /nfs/dbraw/zinc/11/79/66/736117966.db2.gz FVTSWJQETRWXJQ-HNNXBMFYSA-N 0 3 355.265 3.231 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000876604365 736119477 /nfs/dbraw/zinc/11/94/77/736119477.db2.gz LGFDMWPMEMGOTD-CZUORRHYSA-N 0 3 366.893 3.207 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000876704230 736134495 /nfs/dbraw/zinc/13/44/95/736134495.db2.gz VAPACBGGFPGFKR-SJORKVTESA-N 0 3 364.898 3.280 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000876725154 736136269 /nfs/dbraw/zinc/13/62/69/736136269.db2.gz NJZGXMLBAJPSKO-RDTXWAMCSA-N 0 3 359.857 3.308 20 30 FGEDHN N#Cc1cnc(Cl)c(CNCCCC(=O)N2Cc3ccccc3C2)c1 ZINC000877046325 736180130 /nfs/dbraw/zinc/18/01/30/736180130.db2.gz KRIYEMUOWFKJIC-UHFFFAOYSA-N 0 3 354.841 3.019 20 30 FGEDHN COc1ccccc1[C@H]1CSCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000877453739 736221058 /nfs/dbraw/zinc/22/10/58/736221058.db2.gz GSRFOGGXYNNXPZ-DLBZAZTESA-N 0 3 361.511 3.113 20 30 FGEDHN C[C@H](CN(C)CCc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000877704862 736708643 /nfs/dbraw/zinc/70/86/43/736708643.db2.gz NXXGGITWUNXOPR-MRXNPFEDSA-N 0 3 356.491 3.240 20 30 FGEDHN N#CCOc1ccc(Cl)cc1CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000878873206 736927781 /nfs/dbraw/zinc/92/77/81/736927781.db2.gz IXRXGACPVLVTBZ-MSOLQXFVSA-N 0 3 364.873 3.042 20 30 FGEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Cl)c(Cl)c1 ZINC000884112009 737634363 /nfs/dbraw/zinc/63/43/63/737634363.db2.gz ZIQZACHQQDQBFN-NOBQPIJMSA-N 0 3 366.292 3.484 20 30 FGEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1c(Cl)cccc1Cl ZINC000884120129 737635517 /nfs/dbraw/zinc/63/55/17/737635517.db2.gz FJJRCOAEEGSWQV-HYONLYSNSA-N 0 3 366.292 3.352 20 30 FGEDHN CSc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1C#N ZINC000886278775 739238458 /nfs/dbraw/zinc/23/84/58/739238458.db2.gz IXXHLBQFACGLHB-UHFFFAOYSA-N 0 3 353.491 3.407 20 30 FGEDHN C#CCN(C(=O)c1cccc(Oc2nccs2)c1)C1CCN(C)CC1 ZINC000886580874 739271631 /nfs/dbraw/zinc/27/16/31/739271631.db2.gz ASODQIBGEARUOS-UHFFFAOYSA-N 0 3 355.463 3.105 20 30 FGEDHN C#CC[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000887705736 739413896 /nfs/dbraw/zinc/41/38/96/739413896.db2.gz XMINCHZRRPTASC-GOSISDBHSA-N 0 3 357.523 3.155 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888407254 739517702 /nfs/dbraw/zinc/51/77/02/739517702.db2.gz YCMZBFOAVOMEQU-UHFFFAOYSA-N 0 3 363.874 3.264 20 30 FGEDHN Cc1cnc(Cl)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000888954252 739609922 /nfs/dbraw/zinc/60/99/22/739609922.db2.gz KFUODBSDAXGNGE-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN C#CCSCC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000891370695 739897332 /nfs/dbraw/zinc/89/73/32/739897332.db2.gz FLTKWSUZMNTGPB-UHFFFAOYSA-N 0 3 352.887 3.118 20 30 FGEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000948554512 762337280 /nfs/dbraw/zinc/33/72/80/762337280.db2.gz WYSZEUIFYWQTOA-BRWVUGGUSA-N 0 3 356.432 3.467 20 30 FGEDHN CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccc(Cl)nn2)CC1 ZINC000915939706 758008040 /nfs/dbraw/zinc/00/80/40/758008040.db2.gz QJUNKVRYMASXCE-UHFFFAOYSA-N 0 3 358.877 3.108 20 30 FGEDHN N#CC(C(=O)COc1ccc(Cl)c2ccccc12)C(=O)N1CCCC1 ZINC000916871890 758148161 /nfs/dbraw/zinc/14/81/61/758148161.db2.gz WFXVGGCHABEXPC-OAHLLOKOSA-N 0 3 356.809 3.203 20 30 FGEDHN C#Cc1ccc(NC(=O)CCN2CCC(OC)(C(F)(F)F)CC2)cc1 ZINC000930743213 760686311 /nfs/dbraw/zinc/68/63/11/760686311.db2.gz PZNLLIXVZXGYDS-UHFFFAOYSA-N 0 3 354.372 3.040 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](OC)c2ccccc2C(F)(F)F)CC1 ZINC000932140862 761066402 /nfs/dbraw/zinc/06/64/02/761066402.db2.gz LCMGMTHSFIBMMA-INIZCTEOSA-N 0 3 356.388 3.160 20 30 FGEDHN OC1(CCN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCC1 ZINC000932941311 761280539 /nfs/dbraw/zinc/28/05/39/761280539.db2.gz ACYUXVYJNPREQD-RKDXNWHRSA-N 0 3 367.280 3.394 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cnn(CC2CCC2)c1 ZINC000934555040 761657439 /nfs/dbraw/zinc/65/74/39/761657439.db2.gz XGHCLOIBLMYLOR-CYBMUJFWSA-N 0 3 357.483 3.296 20 30 FGEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC000965010712 762803686 /nfs/dbraw/zinc/80/36/86/762803686.db2.gz GCBFERHRWKQVST-KBMGIXFMSA-N 0 3 355.320 3.348 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC000999192227 765144359 /nfs/dbraw/zinc/14/43/59/765144359.db2.gz FWYKEYZLIQRSRN-FMKPAKJESA-N 0 3 368.930 3.463 20 30 FGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001004578841 765439032 /nfs/dbraw/zinc/43/90/32/765439032.db2.gz XRRUTSDEXBMWKH-FHWLQOOXSA-N 0 3 366.933 3.423 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001020710428 765885424 /nfs/dbraw/zinc/88/54/24/765885424.db2.gz DKMKJZUGHJYQTB-NZBPQXDJSA-N 0 3 367.262 3.075 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001020721512 765886576 /nfs/dbraw/zinc/88/65/76/765886576.db2.gz QKMJGWMLOABVEF-LUKYLMHMSA-N 0 3 363.299 3.244 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001022100117 765973376 /nfs/dbraw/zinc/97/33/76/765973376.db2.gz ZWSPMHRLNYAFRV-HPFXQQBRSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC001022841897 766032900 /nfs/dbraw/zinc/03/29/00/766032900.db2.gz NNTIKHXOUVQPBV-DFGXFYAUSA-N 0 3 366.864 3.197 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)s1 ZINC001045044744 766505406 /nfs/dbraw/zinc/50/54/06/766505406.db2.gz VAMASPIOFVLROG-PASDCYSWSA-N 0 3 355.507 3.303 20 30 FGEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001047242847 766632249 /nfs/dbraw/zinc/63/22/49/766632249.db2.gz HMCPTNKNYYPHTL-YZGWKJHDSA-N 0 3 356.535 3.435 20 30 FGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001049552314 766793235 /nfs/dbraw/zinc/79/32/35/766793235.db2.gz MYMPOLNLCQDQOQ-QBPKDAKJSA-N 0 3 354.416 3.220 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@H](c2ccc(SC)cc2)N(C)C)nc1 ZINC000573581826 505571313 /nfs/dbraw/zinc/57/13/13/505571313.db2.gz UFECWLFEJNLZAQ-GOSISDBHSA-N 0 3 370.522 3.434 20 30 FGEDHN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000576703003 505574546 /nfs/dbraw/zinc/57/45/46/505574546.db2.gz HVQREYMRQZNBHH-MRXNPFEDSA-N 0 3 374.558 3.130 20 30 FGEDHN CN(Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cn1 ZINC000579608507 505586503 /nfs/dbraw/zinc/58/65/03/505586503.db2.gz VJDNXSQOXZWLJH-FGZHOGPDSA-N 0 3 374.492 3.095 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000570921319 505612446 /nfs/dbraw/zinc/61/24/46/505612446.db2.gz WLAIOJKUTTXZBE-LPHOPBHVSA-N 0 3 365.539 3.329 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000571108769 505655341 /nfs/dbraw/zinc/65/53/41/505655341.db2.gz LODJUWVYNYSCTJ-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCN(C(=O)CCc3ccccc3)C1)CC2 ZINC000571128225 505659361 /nfs/dbraw/zinc/65/93/61/505659361.db2.gz OLBZWXLBPJMVID-IRLDBZIGSA-N 0 3 359.473 3.369 20 30 FGEDHN COc1cc(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)ccc1C#N ZINC000573961104 505660476 /nfs/dbraw/zinc/66/04/76/505660476.db2.gz BJPPPFYDXLLYNR-VGSWGCGISA-N 0 3 366.461 3.109 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCC2 ZINC000574017882 505674657 /nfs/dbraw/zinc/67/46/57/505674657.db2.gz HGVUTVQBGGIZAB-IAGOWNOFSA-N 0 3 373.522 3.374 20 30 FGEDHN Cc1cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)n(CCC#N)n1 ZINC000068218466 493780638 /nfs/dbraw/zinc/78/06/38/493780638.db2.gz ZIIDRANSKCYWEF-KRWDZBQOSA-N 0 3 369.444 3.095 20 30 FGEDHN Cc1cccc(O[C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000068309858 493793963 /nfs/dbraw/zinc/79/39/63/493793963.db2.gz YWJWPTCPVHRLAJ-SFHVURJKSA-N 0 3 365.477 3.224 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNC[C@@H]2SCCc3ccccc32)cc1 ZINC000568381893 505681210 /nfs/dbraw/zinc/68/12/10/505681210.db2.gz DAEKZBMQTULOFV-NQIIRXRSSA-N 0 3 368.502 3.113 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc(F)cc2)C(=S)[N-]C[C@H]2CCCO2)c1 ZINC000028781979 493800856 /nfs/dbraw/zinc/80/08/56/493800856.db2.gz BXNDNJUQUFHXKS-QGZVFWFLSA-O 0 3 373.473 3.129 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000574045469 505681586 /nfs/dbraw/zinc/68/15/86/505681586.db2.gz RYYMCFPTXICPSD-JTSKRJEESA-N 0 3 363.461 3.106 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)CSCC#N)c1ccc(C(F)(F)F)cc1 ZINC000068438315 493820601 /nfs/dbraw/zinc/82/06/01/493820601.db2.gz LHADYESNCUSWQB-HNNXBMFYSA-N 0 3 373.444 3.461 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000068772905 493870803 /nfs/dbraw/zinc/87/08/03/493870803.db2.gz AOJGKMMXGAICPM-UHFFFAOYSA-N 0 3 357.454 3.317 20 30 FGEDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076484633 493902635 /nfs/dbraw/zinc/90/26/35/493902635.db2.gz OJCKEHROUCBXJH-UHFFFAOYSA-N 0 3 369.465 3.390 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@@H](N(C)CCCC(C)(C)C#N)C2=O)c1 ZINC000081518791 493908972 /nfs/dbraw/zinc/90/89/72/493908972.db2.gz SQRVMCGXXGFSCC-GOSISDBHSA-N 0 3 359.470 3.071 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1OC ZINC000060407285 493931248 /nfs/dbraw/zinc/93/12/48/493931248.db2.gz SRXAGOMAIOPINW-UHFFFAOYSA-N 0 3 372.465 3.365 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C(C1CC1)C1CC1 ZINC000050989058 493941999 /nfs/dbraw/zinc/94/19/99/493941999.db2.gz RWIZSFUNPUAJGR-UHFFFAOYSA-N 0 3 372.513 3.072 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000081687384 493942346 /nfs/dbraw/zinc/94/23/46/493942346.db2.gz RJZSNWCKNTYNBP-OAQYLSRUSA-N 0 3 373.516 3.337 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000051405586 493967470 /nfs/dbraw/zinc/96/74/70/493967470.db2.gz SUTJRLIZOTVKHG-SFTDATJTSA-N 0 3 368.452 3.339 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000051472605 493972438 /nfs/dbraw/zinc/97/24/38/493972438.db2.gz SXSAKTGMSYOWFU-PZJWPPBQSA-N 0 3 354.425 3.469 20 30 FGEDHN N#CC(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccn1 ZINC000051898253 493993481 /nfs/dbraw/zinc/99/34/81/493993481.db2.gz YSIBONPVIWRGIO-QGZVFWFLSA-N 0 3 354.431 3.288 20 30 FGEDHN N#Cc1ccsc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000052033514 494001815 /nfs/dbraw/zinc/00/18/15/494001815.db2.gz CBMFEPMBBRQNRX-UHFFFAOYSA-N 0 3 357.504 3.463 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1c(C)noc1C ZINC000052485628 494029095 /nfs/dbraw/zinc/02/90/95/494029095.db2.gz SYNDJJFWIVZYRH-UHFFFAOYSA-N 0 3 361.515 3.390 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCN(CC2CCCCC2)CC1 ZINC000077271602 494045744 /nfs/dbraw/zinc/04/57/44/494045744.db2.gz GQXPWGVGQKHYNL-UHFFFAOYSA-N 0 3 357.498 3.144 20 30 FGEDHN C[C@@H](Sc1ccccn1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000084922432 494105675 /nfs/dbraw/zinc/10/56/75/494105675.db2.gz LVBVFJLDIPWNEI-MRXNPFEDSA-N 0 3 368.506 3.024 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000064130640 494106074 /nfs/dbraw/zinc/10/60/74/494106074.db2.gz WXLQQSIDUHBABE-QFIPXVFZSA-N 0 3 372.553 3.353 20 30 FGEDHN CC(C)CN(C(=O)CSCc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000053232518 494107821 /nfs/dbraw/zinc/10/78/21/494107821.db2.gz IHUKDWWZBHILLO-UHFFFAOYSA-N 0 3 359.539 3.370 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNC[C@@H](CO)c3cccnc3)c2)c1 ZINC000577298503 505702200 /nfs/dbraw/zinc/70/22/00/505702200.db2.gz OSYOAVUJLMMJRC-QFIPXVFZSA-N 0 3 373.456 3.398 20 30 FGEDHN N#CC(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc2ccccc2n1 ZINC000054430239 494235031 /nfs/dbraw/zinc/23/50/31/494235031.db2.gz UWCKCYIYAOSMHG-INIZCTEOSA-N 0 3 358.401 3.289 20 30 FGEDHN COC(=O)[C@H](C)[C@@H](NCCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000089141098 494268405 /nfs/dbraw/zinc/26/84/05/494268405.db2.gz VDTPDKAJCHXWQO-FOIQADDNSA-N 0 3 368.433 3.086 20 30 FGEDHN COc1cc(Cl)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000078675789 494341996 /nfs/dbraw/zinc/34/19/96/494341996.db2.gz IEMSQEKLSYAHKF-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000079154718 494410686 /nfs/dbraw/zinc/41/06/86/494410686.db2.gz RXWWSRKAVMEFSH-UHFFFAOYSA-N 0 3 363.461 3.451 20 30 FGEDHN C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)c1cccc(C#N)c1 ZINC000073725146 494419036 /nfs/dbraw/zinc/41/90/36/494419036.db2.gz HXJQZOBNJCJGHW-MRXNPFEDSA-N 0 3 372.538 3.280 20 30 FGEDHN CC(C)(C)CCN1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000055935761 494430739 /nfs/dbraw/zinc/43/07/39/494430739.db2.gz FHNPLPVKPDHSTC-UHFFFAOYSA-N 0 3 374.554 3.295 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNCCc2nnc3n2CCC3)c1 ZINC000066905035 494435992 /nfs/dbraw/zinc/43/59/92/494435992.db2.gz BDUVCHTXSGUKCM-UHFFFAOYSA-N 0 3 373.460 3.007 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)CC1 ZINC000066921499 494438542 /nfs/dbraw/zinc/43/85/42/494438542.db2.gz LTHYZEYUNUQCFU-UHFFFAOYSA-N 0 3 362.477 3.170 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(C3CCCC3)CC2)c1 ZINC000045753735 494456696 /nfs/dbraw/zinc/45/66/96/494456696.db2.gz NCNMGDJTGPMWHL-UHFFFAOYSA-N 0 3 368.525 3.110 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCN(C3CCCC3)CC2)cc1Cl ZINC000045768575 494458834 /nfs/dbraw/zinc/45/88/34/494458834.db2.gz OPLCPZLBCASMGL-UHFFFAOYSA-N 0 3 360.889 3.100 20 30 FGEDHN N#CCCC1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000571399507 505724176 /nfs/dbraw/zinc/72/41/76/505724176.db2.gz SZFASPQSTDKJGV-FQEVSTJZSA-N 0 3 354.498 3.376 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCCN(Cc2ccccc2)CC1 ZINC000022808454 494535756 /nfs/dbraw/zinc/53/57/56/494535756.db2.gz ULTOXVUQOIKAOK-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN CC(C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Br)cc1 ZINC000079881883 494542189 /nfs/dbraw/zinc/54/21/89/494542189.db2.gz BGQMOQBLLZHVKY-QGZVFWFLSA-N 0 3 364.287 3.082 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)CNc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000079945042 494553803 /nfs/dbraw/zinc/55/38/03/494553803.db2.gz ZFOHFZQPWRFBEJ-UWJYYQICSA-N 0 3 362.477 3.139 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000080070203 494583829 /nfs/dbraw/zinc/58/38/29/494583829.db2.gz NGDBIWFRIBFMKX-LAUBAEHRSA-N 0 3 362.477 3.411 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000080121164 494604921 /nfs/dbraw/zinc/60/49/21/494604921.db2.gz GKNGQPZAXSZNQQ-NRFANRHFSA-N 0 3 371.525 3.070 20 30 FGEDHN C[C@@H]1CN(CC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)C[C@@H](C)O1 ZINC000091478476 494606111 /nfs/dbraw/zinc/60/61/11/494606111.db2.gz DBHYGOYBUWTXGT-IAGOWNOFSA-N 0 3 368.525 3.158 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000024101418 494607021 /nfs/dbraw/zinc/60/70/21/494607021.db2.gz KTQKRJVLAYPQOQ-FQEVSTJZSA-N 0 3 354.425 3.296 20 30 FGEDHN C[C@@H](OCc1ccccc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011848 494616630 /nfs/dbraw/zinc/61/66/30/494616630.db2.gz ZTHYTOMACWZSEJ-GOSISDBHSA-N 0 3 365.477 3.054 20 30 FGEDHN CCOC(=O)[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092456140 494631992 /nfs/dbraw/zinc/63/19/92/494631992.db2.gz OILJTDMLQBYBRN-GOSISDBHSA-N 0 3 366.465 3.239 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000115823652 494633692 /nfs/dbraw/zinc/63/36/92/494633692.db2.gz LDSYZOOANLMICF-OAQYLSRUSA-N 0 3 370.541 3.337 20 30 FGEDHN C[C@H](Cc1ccccc1C(F)(F)F)NCc1cnc2c(C#N)cnn2c1 ZINC000580327228 505734113 /nfs/dbraw/zinc/73/41/13/505734113.db2.gz BVLRUVSFVDKZCU-GFCCVEGCSA-N 0 3 359.355 3.341 20 30 FGEDHN N#Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000047262158 494668594 /nfs/dbraw/zinc/66/85/94/494668594.db2.gz VITWYTSIAPUDRP-INIZCTEOSA-N 0 3 354.841 3.457 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000126213133 494674320 /nfs/dbraw/zinc/67/43/20/494674320.db2.gz MCCFYXCVPIPTER-CQSZACIVSA-N 0 3 359.364 3.388 20 30 FGEDHN Cn1cc(CN2CCCN(c3ccccc3C#N)CC2)c(-c2cccnc2)n1 ZINC000091792365 494680271 /nfs/dbraw/zinc/68/02/71/494680271.db2.gz MRJDGXGSWVEUOE-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN CCC[C@@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000091968169 494738593 /nfs/dbraw/zinc/73/85/93/494738593.db2.gz GLIPKCLCIXCMNU-RDJZCZTQSA-N 0 3 353.388 3.249 20 30 FGEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CCN(c2ccc(F)cc2)CC1 ZINC000092762768 494739722 /nfs/dbraw/zinc/73/97/22/494739722.db2.gz ZJFVJKSUYJVXSE-UHFFFAOYSA-N 0 3 363.440 3.446 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000577501928 505741541 /nfs/dbraw/zinc/74/15/41/505741541.db2.gz DHLFFZXUEWGSIV-BVZFJXPGSA-N 0 3 361.511 3.228 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000092145267 494799469 /nfs/dbraw/zinc/79/94/69/494799469.db2.gz HIOYGWCRLJICJW-UHFFFAOYSA-N 0 3 354.494 3.169 20 30 FGEDHN N#Cc1ccc(CNCCN2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000132091048 494817360 /nfs/dbraw/zinc/81/73/60/494817360.db2.gz WMSMTAPYFHSDSE-UHFFFAOYSA-N 0 3 360.914 3.185 20 30 FGEDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093454606 494892578 /nfs/dbraw/zinc/89/25/78/494892578.db2.gz LFNZCMYOKNAOGP-FQEVSTJZSA-N 0 3 368.481 3.048 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1C ZINC000122091867 494922147 /nfs/dbraw/zinc/92/21/47/494922147.db2.gz YAXYQDYLYGSMQG-HXUWFJFHSA-N 0 3 362.477 3.388 20 30 FGEDHN N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)nc1 ZINC000110289184 494965816 /nfs/dbraw/zinc/96/58/16/494965816.db2.gz NMRYKNCHDFAXOD-GOSISDBHSA-N 0 3 374.366 3.346 20 30 FGEDHN C[C@@H](C#N)CNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000580411100 505753685 /nfs/dbraw/zinc/75/36/85/505753685.db2.gz GIYLROPZLAWPJC-PXNSSMCTSA-N 0 3 368.525 3.478 20 30 FGEDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000097327564 495031999 /nfs/dbraw/zinc/03/19/99/495031999.db2.gz RJIVOKMQYZLBRU-UHFFFAOYSA-N 0 3 353.491 3.484 20 30 FGEDHN CN(c1ccc(NC(=O)c2sccc2C#N)cc1)C1CCN(C)CC1 ZINC000128110868 495046474 /nfs/dbraw/zinc/04/64/74/495046474.db2.gz SHVLUPGKAAWHCN-UHFFFAOYSA-N 0 3 354.479 3.402 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000133698432 495048668 /nfs/dbraw/zinc/04/86/68/495048668.db2.gz NABJMLXFBFDODV-XJKSGUPXSA-N 0 3 362.376 3.250 20 30 FGEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000123327797 495115151 /nfs/dbraw/zinc/11/51/51/495115151.db2.gz RGIWVLUGKLLYOX-WOJBJXKFSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)NC1CCN(CCCOC)CC1 ZINC000112215357 495155945 /nfs/dbraw/zinc/15/59/45/495155945.db2.gz LOMHKMKHBXJUDZ-UHFFFAOYSA-N 0 3 351.535 3.265 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000134914455 495222569 /nfs/dbraw/zinc/22/25/69/495222569.db2.gz UULVFNQMQJMXJF-LPHOPBHVSA-N 0 3 365.502 3.430 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1)CC(F)(F)F ZINC000135121371 495253462 /nfs/dbraw/zinc/25/34/62/495253462.db2.gz BRIFRCSTIBXGPN-OAHLLOKOSA-N 0 3 355.404 3.273 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc(-c2ncccn2)s1)C(C)C ZINC000112919778 495257165 /nfs/dbraw/zinc/25/71/65/495257165.db2.gz GSVNCKZPYPTYLO-OAHLLOKOSA-N 0 3 371.510 3.029 20 30 FGEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000113229624 495287501 /nfs/dbraw/zinc/28/75/01/495287501.db2.gz VPQFFAKTSSODHN-DOTOQJQBSA-N 0 3 365.433 3.039 20 30 FGEDHN N#CCCn1cc(CNC[C@H](O)c2cccc(F)c2)c(-c2ccccc2)n1 ZINC000113329130 495296272 /nfs/dbraw/zinc/29/62/72/495296272.db2.gz VXBXYSQZFUGIQO-FQEVSTJZSA-N 0 3 364.424 3.426 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000120050406 495296840 /nfs/dbraw/zinc/29/68/40/495296840.db2.gz DIQMSSYCYHNLQH-XWRIVVANSA-N 0 3 367.424 3.178 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000120230313 495332091 /nfs/dbraw/zinc/33/20/91/495332091.db2.gz HAVALONUTVCLRR-MRXNPFEDSA-N 0 3 360.458 3.167 20 30 FGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000577684467 505775239 /nfs/dbraw/zinc/77/52/39/505775239.db2.gz HLPUCRTVSNWPJP-VBKZILBWSA-N 0 3 369.490 3.147 20 30 FGEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000124807024 495346818 /nfs/dbraw/zinc/34/68/18/495346818.db2.gz TWTGXMWHEMCWEK-QGZVFWFLSA-N 0 3 351.878 3.207 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000125055326 495383982 /nfs/dbraw/zinc/38/39/82/495383982.db2.gz LDUDZFKYZAUSEW-LJQANCHMSA-N 0 3 370.541 3.218 20 30 FGEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccc(OC)c(OC)c2)CCCCC1 ZINC000114501849 495387189 /nfs/dbraw/zinc/38/71/89/495387189.db2.gz WOMCYDUGOJPEPC-INIZCTEOSA-N 0 3 360.498 3.186 20 30 FGEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000120476808 495387797 /nfs/dbraw/zinc/38/77/97/495387797.db2.gz BWEPGUFCDNZEPA-YJBOKZPZSA-N 0 3 367.449 3.142 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2OCc2cscn2)CC1 ZINC000106038390 495406673 /nfs/dbraw/zinc/40/66/73/495406673.db2.gz DPYQFRTYVYEPJO-UHFFFAOYSA-N 0 3 371.506 3.492 20 30 FGEDHN CCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000114724119 495415840 /nfs/dbraw/zinc/41/58/40/495415840.db2.gz YKTKYQAONCXSFR-UHFFFAOYSA-N 0 3 352.400 3.295 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)CCC)c2)CC1 ZINC000106264154 495440598 /nfs/dbraw/zinc/44/05/98/495440598.db2.gz PICHBJPCZHGCBC-UHFFFAOYSA-N 0 3 372.513 3.265 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(NC(=O)CCC)cc2)CC1 ZINC000106260657 495441211 /nfs/dbraw/zinc/44/12/11/495441211.db2.gz QVBDRTYNMRDOHJ-UHFFFAOYSA-N 0 3 372.513 3.265 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCCc2nc(C)cs2)CC1 ZINC000106269967 495442012 /nfs/dbraw/zinc/44/20/12/495442012.db2.gz LYMXTXSUJTYAFX-UHFFFAOYSA-N 0 3 350.532 3.114 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)N(C)C1CC1 ZINC000115360916 495494827 /nfs/dbraw/zinc/49/48/27/495494827.db2.gz JHXUUDXDAVIACI-MRXNPFEDSA-N 0 3 363.461 3.350 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCOC[C@H]3CCCO3)c2)c1 ZINC000115625355 495521361 /nfs/dbraw/zinc/52/13/61/495521361.db2.gz KCVMPWZBPACQLI-JOCHJYFZSA-N 0 3 366.461 3.422 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)COc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000143258062 495531861 /nfs/dbraw/zinc/53/18/61/495531861.db2.gz NOFLOFIQUHWGRN-NRFANRHFSA-N 0 3 363.461 3.199 20 30 FGEDHN C=CCOCCCC(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000173459350 495538975 /nfs/dbraw/zinc/53/89/75/495538975.db2.gz YWMMMBJQROMQMJ-GOSISDBHSA-N 0 3 358.482 3.074 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176321872 495599954 /nfs/dbraw/zinc/59/99/54/495599954.db2.gz QZKWPXLNEDAALW-UHFFFAOYSA-N 0 3 351.288 3.148 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000568850214 505792708 /nfs/dbraw/zinc/79/27/08/505792708.db2.gz JMIOZSSZHAWQKB-YPVJZLTNSA-N 0 3 359.473 3.441 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCc2ccccc2)[C@H]2CCOC2)CC1 ZINC000176499189 495674634 /nfs/dbraw/zinc/67/46/34/495674634.db2.gz CZEICBZMHQLTNI-NRFANRHFSA-N 0 3 371.525 3.070 20 30 FGEDHN CC(C)Oc1cccc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000179678193 495687310 /nfs/dbraw/zinc/68/73/10/495687310.db2.gz LHDYEXYMPJTPJH-APWZRJJASA-N 0 3 354.450 3.436 20 30 FGEDHN CCCO[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182772342 495697651 /nfs/dbraw/zinc/69/76/51/495697651.db2.gz YKYWTZBNVWZJQD-VQTJNVASSA-N 0 3 355.482 3.335 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H](CO)C/C=C/C)cc1OC ZINC000185821520 495737239 /nfs/dbraw/zinc/73/72/39/495737239.db2.gz XLTIPEHLJSANOB-YVZNUBBCSA-N 0 3 370.287 3.439 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000154920091 495772163 /nfs/dbraw/zinc/77/21/63/495772163.db2.gz YVRQHVZDSHYFDV-UHFFFAOYSA-N 0 3 366.852 3.287 20 30 FGEDHN N#CCCCOc1cccc(CNCc2ccc(Cn3cncn3)cc2)c1 ZINC000171246271 495787426 /nfs/dbraw/zinc/78/74/26/495787426.db2.gz VXMCBLIHDSZMEL-UHFFFAOYSA-N 0 3 361.449 3.299 20 30 FGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)c[nH]1 ZINC000159788955 495809350 /nfs/dbraw/zinc/80/93/50/495809350.db2.gz DNIQUQKVLFJRNG-SFHVURJKSA-N 0 3 374.448 3.091 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000155229771 495883759 /nfs/dbraw/zinc/88/37/59/495883759.db2.gz IWGHLJNONLWOSJ-PMACEKPBSA-N 0 3 369.509 3.251 20 30 FGEDHN Cc1sc(NC(=O)CN2CCN(CCC(C)(C)C)CC2)c(C#N)c1C ZINC000177042046 495897271 /nfs/dbraw/zinc/89/72/71/495897271.db2.gz SAMXESIVFSRWCQ-UHFFFAOYSA-N 0 3 362.543 3.229 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2coc(-c3cccs3)n2)CC1 ZINC000171552188 495924251 /nfs/dbraw/zinc/92/42/51/495924251.db2.gz DOMRZLTWDQPVMA-UHFFFAOYSA-N 0 3 360.483 3.243 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Nc3ccc(F)cc3)CC2)CC1 ZINC000171607165 495946067 /nfs/dbraw/zinc/94/60/67/495946067.db2.gz KCXIUALIUKSETL-UHFFFAOYSA-N 0 3 374.504 3.452 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)CC1 ZINC000171715285 496003075 /nfs/dbraw/zinc/00/30/75/496003075.db2.gz RDCJSUZTQBTHDT-UHFFFAOYSA-N 0 3 359.470 3.253 20 30 FGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)CC1 ZINC000171726503 496009992 /nfs/dbraw/zinc/00/99/92/496009992.db2.gz VJFZEGNUYLITHF-VQHVLOKHSA-N 0 3 358.482 3.262 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000171739550 496014888 /nfs/dbraw/zinc/01/48/88/496014888.db2.gz HIVCSNWQDWEZQN-UHFFFAOYSA-N 0 3 356.239 3.360 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000171738723 496015167 /nfs/dbraw/zinc/01/51/67/496015167.db2.gz RDUNLMBSICSBLI-ZDUSSCGKSA-N 0 3 350.532 3.451 20 30 FGEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3ccccn3)n2)cc1 ZINC000155647322 496023897 /nfs/dbraw/zinc/02/38/97/496023897.db2.gz AXDOFNSUKIYVHN-AWEZNQCLSA-N 0 3 350.403 3.460 20 30 FGEDHN N#Cc1cccc(NCC(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000155820723 496078509 /nfs/dbraw/zinc/07/85/09/496078509.db2.gz VJFPQYQXXPOZKO-UHFFFAOYSA-N 0 3 368.506 3.060 20 30 FGEDHN C=CCC[C@@H](O)CN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000152206648 496080368 /nfs/dbraw/zinc/08/03/68/496080368.db2.gz AUJYNEVZMVACKM-LEWJYISDSA-N 0 3 352.478 3.361 20 30 FGEDHN Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(OCC#N)cc1 ZINC000183752312 496103965 /nfs/dbraw/zinc/10/39/65/496103965.db2.gz ILWOPGPYBXMUFE-QFIPXVFZSA-N 0 3 365.477 3.061 20 30 FGEDHN CS[C@@H](CO)[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000152458686 496159050 /nfs/dbraw/zinc/15/90/50/496159050.db2.gz ALMYXGYMCVNPQR-YWZLYKJASA-N 0 3 356.491 3.339 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)C(C)C ZINC000186913238 496207660 /nfs/dbraw/zinc/20/76/60/496207660.db2.gz OIGHNFDQALNEFJ-HXUWFJFHSA-N 0 3 351.494 3.405 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000177877365 496235137 /nfs/dbraw/zinc/23/51/37/496235137.db2.gz NACABXPFZWFXST-NRFANRHFSA-N 0 3 371.525 3.108 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC(C)(C)C)nc2)CC1 ZINC000181034277 496248185 /nfs/dbraw/zinc/24/81/85/496248185.db2.gz SGMSEWPNUUNTEQ-UHFFFAOYSA-N 0 3 360.502 3.099 20 30 FGEDHN COc1ccc(CNC[C@H]2CSCCS2)cc1OCCCC#N ZINC000152782871 496255418 /nfs/dbraw/zinc/25/54/18/496255418.db2.gz XRLNVUUXAXJUKL-HNNXBMFYSA-N 0 3 352.525 3.316 20 30 FGEDHN CN(C)[C@@H](CNCc1cnc2ccc(C#N)cn12)c1ccccc1Cl ZINC000172338276 496258822 /nfs/dbraw/zinc/25/88/22/496258822.db2.gz NYZYSLVTEIEEQQ-SFHVURJKSA-N 0 3 353.857 3.252 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000181115552 496275656 /nfs/dbraw/zinc/27/56/56/496275656.db2.gz GGFAQFVYWGTOSX-GOSISDBHSA-N 0 3 358.530 3.475 20 30 FGEDHN C=C(C)CN(C)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000181352274 496364363 /nfs/dbraw/zinc/36/43/63/496364363.db2.gz JDFMRVIMQVWDTF-UHFFFAOYSA-N 0 3 359.514 3.275 20 30 FGEDHN C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181421193 496387954 /nfs/dbraw/zinc/38/79/54/496387954.db2.gz SYLPVLSIFQZFAO-AVRDEDQJSA-N 0 3 365.477 3.313 20 30 FGEDHN Cc1ccc([C@H](CN[C@@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)o1 ZINC000181423668 496389327 /nfs/dbraw/zinc/38/93/27/496389327.db2.gz DJSPXXBWQVQRKV-PXNSSMCTSA-N 0 3 369.465 3.215 20 30 FGEDHN Cc1ccc([C@@H](CN[C@@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)o1 ZINC000181423647 496389674 /nfs/dbraw/zinc/38/96/74/496389674.db2.gz DJSPXXBWQVQRKV-FXAWDEMLSA-N 0 3 369.465 3.215 20 30 FGEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)c1ccccc1 ZINC000181526855 496432871 /nfs/dbraw/zinc/43/28/71/496432871.db2.gz ZSHCPYCYSJFFNM-SJORKVTESA-N 0 3 373.460 3.464 20 30 FGEDHN C[C@H](NCCNC(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000181548736 496440656 /nfs/dbraw/zinc/44/06/56/496440656.db2.gz IWJCPHSAUHWBCI-ZDUSSCGKSA-N 0 3 372.266 3.401 20 30 FGEDHN N#CCC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000153426434 496450962 /nfs/dbraw/zinc/45/09/62/496450962.db2.gz IJSPIMPKISEMBQ-IBGZPJMESA-N 0 3 355.482 3.183 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184590167 496454455 /nfs/dbraw/zinc/45/44/55/496454455.db2.gz HHGQXAVWCWTQBE-UHFFFAOYSA-N 0 3 366.849 3.088 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000178669574 496534400 /nfs/dbraw/zinc/53/44/00/496534400.db2.gz QGMNYNHCFAXKOG-OALUTQOASA-N 0 3 363.546 3.406 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000578059861 505852200 /nfs/dbraw/zinc/85/22/00/505852200.db2.gz UAFVWUJROJGOQS-FGZHOGPDSA-N 0 3 374.488 3.222 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000173199489 496589601 /nfs/dbraw/zinc/58/96/01/496589601.db2.gz VYPDGCJKDSTCAC-TZIWHRDSSA-N 0 3 371.525 3.412 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)CNc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000164395828 496609791 /nfs/dbraw/zinc/60/97/91/496609791.db2.gz LWHQKKNHBXOGDO-UWJYYQICSA-N 0 3 362.477 3.139 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000580886315 505860848 /nfs/dbraw/zinc/86/08/48/505860848.db2.gz IVYQYTMYKAEROT-GDBMZVCRSA-N 0 3 354.479 3.082 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC000273283578 496762978 /nfs/dbraw/zinc/76/29/78/496762978.db2.gz HHXXKLWYBVJUMZ-QXAKKESOSA-N 0 3 371.481 3.324 20 30 FGEDHN CC(C)N1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000263951163 496770858 /nfs/dbraw/zinc/77/08/58/496770858.db2.gz YUTJDVIYMYXSFQ-UHFFFAOYSA-N 0 3 362.905 3.003 20 30 FGEDHN COc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000264333881 496874299 /nfs/dbraw/zinc/87/42/99/496874299.db2.gz LMLMLMHSOBBYOU-UHFFFAOYSA-N 0 3 366.421 3.234 20 30 FGEDHN COc1ccc(CNC[C@H](O)Cc2ccccc2)cc1OCCCC#N ZINC000264369451 496883871 /nfs/dbraw/zinc/88/38/71/496883871.db2.gz LJGQOUOTDYILKJ-LJQANCHMSA-N 0 3 354.450 3.071 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000572028964 505873098 /nfs/dbraw/zinc/87/30/98/505873098.db2.gz MBGWWMLYPISFIS-TZIWHRDSSA-N 0 3 371.912 3.420 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000572032513 505873938 /nfs/dbraw/zinc/87/39/38/505873938.db2.gz ALWOYCUXEIDHOG-NSHGMRRFSA-N 0 3 371.525 3.189 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264554035 496927354 /nfs/dbraw/zinc/92/73/54/496927354.db2.gz DFVYWCJEWWTOJX-FPOVZHCZSA-N 0 3 368.525 3.190 20 30 FGEDHN CCN(Cc1ccc(OCC#N)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000264581387 496934586 /nfs/dbraw/zinc/93/45/86/496934586.db2.gz VPZRFONVUVNVFJ-UHFFFAOYSA-N 0 3 351.450 3.313 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000264651842 496953877 /nfs/dbraw/zinc/95/38/77/496953877.db2.gz YJKIDILKSXDNEL-JKSUJKDBSA-N 0 3 360.527 3.045 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000269980813 497036223 /nfs/dbraw/zinc/03/62/23/497036223.db2.gz RADYECXWUMXHQM-IJXRJRJASA-N 0 3 367.493 3.259 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2COc3ccccc32)c(C#N)c1C ZINC000248580812 497047462 /nfs/dbraw/zinc/04/74/62/497047462.db2.gz IOEJMUSPCFXUSQ-GDZNZVCISA-N 0 3 353.422 3.249 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000574912033 505882147 /nfs/dbraw/zinc/88/21/47/505882147.db2.gz MSMRVQSYWOSFNW-VQIMIIECSA-N 0 3 372.852 3.455 20 30 FGEDHN N#CC1(c2ccccc2)CCC(N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000274346093 497075515 /nfs/dbraw/zinc/07/55/15/497075515.db2.gz FDSLVMFDKKPWNZ-SCCNAQOGSA-N 0 3 351.425 3.346 20 30 FGEDHN N#CCOc1cccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000265234622 497078104 /nfs/dbraw/zinc/07/81/04/497078104.db2.gz VPSBWAAHYGEQEJ-LJQANCHMSA-N 0 3 364.449 3.375 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H]3CN3CCCCC3)C2=O)cc1 ZINC000248732603 497092642 /nfs/dbraw/zinc/09/26/42/497092642.db2.gz JXYIYLKUSPMAKP-LEWJYISDSA-N 0 3 366.509 3.004 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000278378604 497093569 /nfs/dbraw/zinc/09/35/69/497093569.db2.gz HKOHRHBKPARZKS-UYAOXDASSA-N 0 3 357.498 3.057 20 30 FGEDHN COc1cccc(/C=N/C[C@@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000192398466 497102245 /nfs/dbraw/zinc/10/22/45/497102245.db2.gz BWIKNJIMAFAXKA-PPRFWAEMSA-N 0 3 354.450 3.111 20 30 FGEDHN C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CCN1CC(C)(C)O ZINC000581008466 505889963 /nfs/dbraw/zinc/88/99/63/505889963.db2.gz IKTBCPGWLBUMSE-ZDUSSCGKSA-N 0 3 358.873 3.041 20 30 FGEDHN CC(C)(C#N)CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000278724925 497201831 /nfs/dbraw/zinc/20/18/31/497201831.db2.gz CSLZHODADNRPSZ-UHFFFAOYSA-N 0 3 363.889 3.239 20 30 FGEDHN CO[C@]1(C)C[C@@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000278990240 497293595 /nfs/dbraw/zinc/29/35/95/497293595.db2.gz BDAOBNDTXKKVBG-WIYYLYMNSA-N 0 3 367.497 3.494 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)COCc1ccccc1 ZINC000279272833 497390148 /nfs/dbraw/zinc/39/01/48/497390148.db2.gz JIYPIXJRJUPDFS-UTKZUKDTSA-N 0 3 361.445 3.210 20 30 FGEDHN CCOc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1F ZINC000279373372 497421033 /nfs/dbraw/zinc/42/10/33/497421033.db2.gz SBMIQQDJLMAKIO-KRWDZBQOSA-N 0 3 351.381 3.095 20 30 FGEDHN C=CCc1cc(CN2CCNC[C@H]2c2cccc(F)c2)cc(OC)c1O ZINC000261735539 497441813 /nfs/dbraw/zinc/44/18/13/497441813.db2.gz OSSYMWDROULJIS-IBGZPJMESA-N 0 3 356.441 3.415 20 30 FGEDHN CO[C@H]1CCC[C@@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000279617958 497487677 /nfs/dbraw/zinc/48/76/77/497487677.db2.gz GMJZCUTWVBSCIW-XLIONFOSSA-N 0 3 357.498 3.044 20 30 FGEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)cc1 ZINC000190603918 497542274 /nfs/dbraw/zinc/54/22/74/497542274.db2.gz PEDGLORWLPTHPB-NHCUHLMSSA-N 0 3 363.461 3.409 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NC3CC(c4ccc(F)cc4)C3)C2=O)cc1 ZINC000190608562 497544305 /nfs/dbraw/zinc/54/43/05/497544305.db2.gz BFWGMKCGYOLPQP-DQVLVPHSSA-N 0 3 363.436 3.334 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245926011 497573573 /nfs/dbraw/zinc/57/35/73/497573573.db2.gz XNMAJJVJCOHZEI-FXAWDEMLSA-N 0 3 351.494 3.463 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000280108248 497651603 /nfs/dbraw/zinc/65/16/03/497651603.db2.gz TURZNFBLDXUXCE-RTBURBONSA-N 0 3 351.450 3.239 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1 ZINC000272527454 497653254 /nfs/dbraw/zinc/65/32/54/497653254.db2.gz ZEDHTFFGCXAIAX-NHYWBVRUSA-N 0 3 352.360 3.135 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000578352270 505920925 /nfs/dbraw/zinc/92/09/25/505920925.db2.gz NRXRNQVYVMMOOP-OXJNMPFZSA-N 0 3 364.424 3.436 20 30 FGEDHN C#CCNC(=O)c1cccc(-c2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)c1 ZINC000276949845 497695579 /nfs/dbraw/zinc/69/55/79/497695579.db2.gz QQEDHLAIJNCZBE-KFWWJZLASA-N 0 3 352.438 3.033 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000272706308 497707481 /nfs/dbraw/zinc/70/74/81/497707481.db2.gz XEJAKUBTDOHVFB-NRFANRHFSA-N 0 3 363.461 3.063 20 30 FGEDHN Cc1ccc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000280408441 497743986 /nfs/dbraw/zinc/74/39/86/497743986.db2.gz LGQXKPZOQDCQAH-RDTXWAMCSA-N 0 3 362.389 3.335 20 30 FGEDHN Cc1ccccc1CN1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268505283 497767775 /nfs/dbraw/zinc/76/77/75/497767775.db2.gz QUIXLDYEYQCEQU-UHFFFAOYSA-N 0 3 351.410 3.246 20 30 FGEDHN COc1cc(C#N)ccc1CN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000569412820 505928229 /nfs/dbraw/zinc/92/82/29/505928229.db2.gz LHLYICXPNZSQCF-ICSRJNTNSA-N 0 3 357.404 3.380 20 30 FGEDHN COc1cccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCCC2)c1 ZINC000194836781 497786431 /nfs/dbraw/zinc/78/64/31/497786431.db2.gz RXUVESPQORKIEF-OAQYLSRUSA-N 0 3 363.461 3.063 20 30 FGEDHN CC[C@@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccccc1 ZINC000299527834 497835934 /nfs/dbraw/zinc/83/59/34/497835934.db2.gz BJIFWKIJYCJWHI-CQSZACIVSA-O 0 3 355.483 3.331 20 30 FGEDHN N#Cc1cc(F)ccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000578388826 505928474 /nfs/dbraw/zinc/92/84/74/505928474.db2.gz UNKCYWAXPNBARN-OAQYLSRUSA-N 0 3 364.468 3.094 20 30 FGEDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2ccccc2C#N)c1 ZINC000299664497 497886999 /nfs/dbraw/zinc/88/69/99/497886999.db2.gz LVHJTNORMJYREE-AWEZNQCLSA-N 0 3 350.422 3.196 20 30 FGEDHN CN1CCC2(CCCN2C(=O)NCc2ncc(-c3ccccc3)cn2)CC1 ZINC000329746816 497887240 /nfs/dbraw/zinc/88/72/40/497887240.db2.gz RZDHSRCXFKHXRT-UHFFFAOYSA-N 0 3 365.481 3.118 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000329771396 497896694 /nfs/dbraw/zinc/89/66/94/497896694.db2.gz JUKPZPIEGORBOW-ZIAGYGMSSA-N 0 3 361.442 3.470 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000364334486 497905191 /nfs/dbraw/zinc/90/51/91/497905191.db2.gz FXAJHTOIYPVYFH-HXUWFJFHSA-N 0 3 367.474 3.470 20 30 FGEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCOc2ccccc2C#N)cc1 ZINC000284924558 497943675 /nfs/dbraw/zinc/94/36/75/497943675.db2.gz XZCHVUKLWKFWPU-OAHLLOKOSA-N 0 3 358.463 3.081 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000292310650 497965526 /nfs/dbraw/zinc/96/55/26/497965526.db2.gz OEDRMPOOSGZWSP-KBXCAEBGSA-N 0 3 363.527 3.090 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC[C@](C)(O)CC2)CCCN1Cc1ccccc1 ZINC000329983639 497979761 /nfs/dbraw/zinc/97/97/61/497979761.db2.gz PSQLWXJHKAVFDA-RTWAWAEBSA-N 0 3 359.514 3.192 20 30 FGEDHN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H](C)N2CCCCCC2)on1 ZINC000329989230 497983254 /nfs/dbraw/zinc/98/32/54/497983254.db2.gz VANFJDAUGQHTDG-IKGGRYGDSA-N 0 3 366.481 3.116 20 30 FGEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000285071117 497986685 /nfs/dbraw/zinc/98/66/85/497986685.db2.gz KCOHLAOYYQZHEP-WMZOPIPTSA-N 0 3 366.461 3.255 20 30 FGEDHN CC(C(=O)NC1(c2ccccc2)CCC1)S(=O)(=O)C1CCOCC1 ZINC000330039226 497999164 /nfs/dbraw/zinc/99/91/64/497999164.db2.gz FFPQMGUEKFJERV-CQSZACIVSA-N 0 3 351.468 3.005 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000330080955 498013216 /nfs/dbraw/zinc/01/32/16/498013216.db2.gz GQBHLAOEHPEUCR-ZWKOTPCHSA-N 0 3 361.534 3.089 20 30 FGEDHN C=CCNC(=O)c1ccc(NCC2(N3CCSCC3)CCCCC2)nc1 ZINC000301241541 498016243 /nfs/dbraw/zinc/01/62/43/498016243.db2.gz OEGWKPWDKQLJBY-UHFFFAOYSA-N 0 3 374.554 3.161 20 30 FGEDHN O[C@H](CNCC#Cc1cccc(F)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000569569271 505967107 /nfs/dbraw/zinc/96/71/07/505967107.db2.gz UHHGWMFSUKEVRZ-SFHVURJKSA-N 0 3 351.343 3.389 20 30 FGEDHN C[C@H]1CCN(c2nc3c(cc2C#N)COCC3)CCN1Cc1ccccc1 ZINC000581351267 505968181 /nfs/dbraw/zinc/96/81/81/505968181.db2.gz RZABCOZRTKWYSQ-KRWDZBQOSA-N 0 3 362.477 3.127 20 30 FGEDHN O=C(NC[C@@H]1CCC2(CCCCC2)O1)[C@H]1CCCN1C1CCOCC1 ZINC000330145296 498038407 /nfs/dbraw/zinc/03/84/07/498038407.db2.gz LALBQBSEFGOZLK-ZWKOTPCHSA-N 0 3 350.503 3.468 20 30 FGEDHN C[C@@H]1CCCCCN1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000330191243 498055248 /nfs/dbraw/zinc/05/52/48/498055248.db2.gz WWQJTJXETHEDRV-QGZVFWFLSA-N 0 3 359.514 3.322 20 30 FGEDHN CS[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H]1N(C)C ZINC000569602290 505973963 /nfs/dbraw/zinc/97/39/63/505973963.db2.gz OJFWUELRQMINRM-CHWSQXEVSA-N 0 3 366.412 3.006 20 30 FGEDHN Cn1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)n1 ZINC000292876433 498179864 /nfs/dbraw/zinc/17/98/64/498179864.db2.gz XABFNKREFSGCIB-IBGZPJMESA-N 0 3 359.433 3.007 20 30 FGEDHN Cc1nc(SCC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C#N)c(C)c1C ZINC000330724413 498181390 /nfs/dbraw/zinc/18/13/90/498181390.db2.gz DEPDZMBVWMCPRP-INIZCTEOSA-N 0 3 374.554 3.159 20 30 FGEDHN O[C@H](CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)F ZINC000572538408 505993118 /nfs/dbraw/zinc/99/31/18/505993118.db2.gz IABQIQPYBXOIDL-KOLCDFICSA-N 0 3 367.236 3.274 20 30 FGEDHN Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1NC(=O)NC(C)(C)C ZINC000330923661 498218729 /nfs/dbraw/zinc/21/87/29/498218729.db2.gz DMVVOZDYVGTYDH-MRXNPFEDSA-N 0 3 360.502 3.095 20 30 FGEDHN C[C@H](C#N)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000575764197 505999765 /nfs/dbraw/zinc/99/97/65/505999765.db2.gz XUVBXMONMFJQHX-GFCCVEGCSA-N 0 3 350.850 3.094 20 30 FGEDHN Cc1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c(OCCN(C)C)c1 ZINC000293084749 498262412 /nfs/dbraw/zinc/26/24/12/498262412.db2.gz FGXZPNJRAGIJKZ-UHFFFAOYSA-N 0 3 366.465 3.125 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CCCC23CCOCC3)c1 ZINC000282051333 498371338 /nfs/dbraw/zinc/37/13/38/498371338.db2.gz MDNLVBRXHYHYNB-FQEVSTJZSA-N 0 3 369.509 3.489 20 30 FGEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000365333775 498410262 /nfs/dbraw/zinc/41/02/62/498410262.db2.gz HFSRDLCGXKXOIJ-PWIZWCRZSA-N 0 3 373.497 3.262 20 30 FGEDHN Cn1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000293623822 498431833 /nfs/dbraw/zinc/43/18/33/498431833.db2.gz KYBPYVFCOFOUOG-NRFANRHFSA-N 0 3 362.477 3.350 20 30 FGEDHN C[C@H](N[C@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccc(C#N)s1 ZINC000362037509 498455769 /nfs/dbraw/zinc/45/57/69/498455769.db2.gz IXPCIXDRFWVWOJ-KBPBESRZSA-N 0 3 354.479 3.038 20 30 FGEDHN CCc1cc(N2CCC(NCc3ccc(F)c(C#N)c3Cl)CC2)ncn1 ZINC000365427436 498461561 /nfs/dbraw/zinc/46/15/61/498461561.db2.gz KBQAMQLCNCRRDL-UHFFFAOYSA-N 0 3 373.863 3.462 20 30 FGEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cccc(C#N)c1Br ZINC000331905746 498495205 /nfs/dbraw/zinc/49/52/05/498495205.db2.gz AEVAKTKLMRCIQQ-ZDUSSCGKSA-N 0 3 364.287 3.315 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000297591052 498504544 /nfs/dbraw/zinc/50/45/44/498504544.db2.gz VCEKKEHQDRDATR-KRWDZBQOSA-N 0 3 360.527 3.346 20 30 FGEDHN N#CC1(CCCN2CCN(c3ccnc4ccccc43)CC2)CCOCC1 ZINC000297622007 498515417 /nfs/dbraw/zinc/51/54/17/498515417.db2.gz LKHMXKPVXRXCAG-UHFFFAOYSA-N 0 3 364.493 3.457 20 30 FGEDHN C[C@@H]1CN2CCCC[C@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063110 498547367 /nfs/dbraw/zinc/54/73/67/498547367.db2.gz ZEYPQFDCXPZMME-PBHICJAKSA-N 0 3 360.889 3.099 20 30 FGEDHN N#Cc1csc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000365741845 498620129 /nfs/dbraw/zinc/62/01/29/498620129.db2.gz IFORZEXGDCEPBA-ROUUACIJSA-N 0 3 351.475 3.214 20 30 FGEDHN COC(=O)[C@]1(C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000282750541 498639323 /nfs/dbraw/zinc/63/93/23/498639323.db2.gz NZVHAUSNZIFGQP-IIBYNOLFSA-N 0 3 366.465 3.095 20 30 FGEDHN C=CCN(Cc1ncc([C@H](C)O)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000366001933 498726429 /nfs/dbraw/zinc/72/64/29/498726429.db2.gz AXZCQDLCSXZADQ-WMZOPIPTSA-N 0 3 357.523 3.459 20 30 FGEDHN C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1=CCN(C)CC1 ZINC000283048590 498759170 /nfs/dbraw/zinc/75/91/70/498759170.db2.gz QTKHAVCDCAUDED-NSHDSACASA-N 0 3 368.359 3.229 20 30 FGEDHN COc1cccc(C2(CNC(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1 ZINC000291210319 498844229 /nfs/dbraw/zinc/84/42/29/498844229.db2.gz MBOOWKDGQLPGED-SFHVURJKSA-N 0 3 359.429 3.097 20 30 FGEDHN N#Cc1cccc(OCCN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000298721275 498859498 /nfs/dbraw/zinc/85/94/98/498859498.db2.gz OHCITJRHBXRISD-SFHVURJKSA-N 0 3 365.481 3.135 20 30 FGEDHN N#Cc1cnn2cc(CN[C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)cnc12 ZINC000570162637 506104852 /nfs/dbraw/zinc/10/48/52/506104852.db2.gz UOQWKGZYUCZSCQ-DLBZAZTESA-N 0 3 371.803 3.013 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)Nc2cc(C)ccn2)[C@@H]1c1cnn(C)c1 ZINC000328617011 498875406 /nfs/dbraw/zinc/87/54/06/498875406.db2.gz CHACKJQAUXERHL-QFBILLFUSA-N 0 3 370.501 3.074 20 30 FGEDHN Cc1cc(C=C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)no1 ZINC000366345523 498883261 /nfs/dbraw/zinc/88/32/61/498883261.db2.gz XZFRUROYGRWCHD-IBGZPJMESA-N 0 3 360.417 3.243 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000298815199 498886477 /nfs/dbraw/zinc/88/64/77/498886477.db2.gz AYMGOIXZIHLFHB-AWEZNQCLSA-N 0 3 353.470 3.498 20 30 FGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291332126 498897559 /nfs/dbraw/zinc/89/75/59/498897559.db2.gz VVDBCAWNYHLEKW-INIZCTEOSA-N 0 3 364.449 3.208 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000328677300 498898228 /nfs/dbraw/zinc/89/82/28/498898228.db2.gz LWXIFIFHOUHREG-DABHTEOTSA-N 0 3 369.509 3.283 20 30 FGEDHN N#C[C@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC12CCCC2 ZINC000573070765 506111127 /nfs/dbraw/zinc/11/11/27/506111127.db2.gz PJRUOKJQGMPJBG-NRFANRHFSA-N 0 3 353.466 3.056 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccnc(OCc4ccccc4)c3)[C@@H]2C1 ZINC000328733210 498919477 /nfs/dbraw/zinc/91/94/77/498919477.db2.gz XWVOJCKSCVOPBF-IEBWSBKVSA-N 0 3 366.465 3.232 20 30 FGEDHN N#Cc1ccc(OCC(=O)N(CCN2CCCCCC2)C2CCC2)cc1 ZINC000576256492 506114708 /nfs/dbraw/zinc/11/47/08/506114708.db2.gz ZEHULLRGLYWCRS-UHFFFAOYSA-N 0 3 355.482 3.194 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000576268497 506117108 /nfs/dbraw/zinc/11/71/08/506117108.db2.gz ZTCPFPTYIZJYTL-QUCCMNQESA-N 0 3 368.868 3.185 20 30 FGEDHN COCC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000299089850 498962037 /nfs/dbraw/zinc/96/20/37/498962037.db2.gz UKPGMFHTDKLYHX-HNNXBMFYSA-N 0 3 373.478 3.397 20 30 FGEDHN COc1ccc(C)cc1C(=O)C(C(=S)[N-]C1(C)CC1)[n+]1ccccc1 ZINC000283762057 498977091 /nfs/dbraw/zinc/97/70/91/498977091.db2.gz BBMXPOSADOVYHP-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN C[C@H]1[C@H](NC(=O)Nc2cccc(OCC#N)c2)CCN1Cc1ccccc1 ZINC000288336139 498998260 /nfs/dbraw/zinc/99/82/60/498998260.db2.gz ZWVABXOBGKWFLM-OXJNMPFZSA-N 0 3 364.449 3.373 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000295467361 499026164 /nfs/dbraw/zinc/02/61/64/499026164.db2.gz OTLYHMASGMRMEH-IIBYNOLFSA-N 0 3 352.482 3.197 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000366671799 499027943 /nfs/dbraw/zinc/02/79/43/499027943.db2.gz UWAGZNGZQVYGJB-HBFSDRIKSA-N 0 3 355.482 3.421 20 30 FGEDHN Cc1ccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)[NH+]2CCCC2)cc1 ZINC000299387965 499044494 /nfs/dbraw/zinc/04/44/94/499044494.db2.gz BSBVBXJJPIMISW-XLKWYTADSA-N 0 3 353.466 3.152 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)[N-]C2CC2)cc1 ZINC000299395560 499046760 /nfs/dbraw/zinc/04/67/60/499046760.db2.gz TYTZXXKEEAUREV-UHFFFAOYSA-O 0 3 367.494 3.258 20 30 FGEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000329172133 499062409 /nfs/dbraw/zinc/06/24/09/499062409.db2.gz KIVTVQUWDJOCGU-OALUTQOASA-N 0 3 371.481 3.010 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cnc1N1CCCC[C@H]1C ZINC000329262979 499086988 /nfs/dbraw/zinc/08/69/88/499086988.db2.gz BJBOPBABORRUGL-QRQLOZEOSA-N 0 3 371.529 3.483 20 30 FGEDHN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@@H]3CCN(C4CC4)C3)nc2c1 ZINC000329284857 499091212 /nfs/dbraw/zinc/09/12/12/499091212.db2.gz GEQXKSUYMACVNH-KDOFPFPSSA-N 0 3 353.470 3.159 20 30 FGEDHN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H]3CCN(C4CC4)C3)[nH]c2c1 ZINC000329284857 499091216 /nfs/dbraw/zinc/09/12/16/499091216.db2.gz GEQXKSUYMACVNH-KDOFPFPSSA-N 0 3 353.470 3.159 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)NCC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000366872961 499102364 /nfs/dbraw/zinc/10/23/64/499102364.db2.gz GZABOPGSNJTWSM-PKOBYXMFSA-N 0 3 354.498 3.375 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)no1 ZINC000329394834 499114247 /nfs/dbraw/zinc/11/42/47/499114247.db2.gz TVGXRBJHEXHPEH-QGTPRVQTSA-N 0 3 369.469 3.092 20 30 FGEDHN CC[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)CC(=O)N1 ZINC000329419175 499118086 /nfs/dbraw/zinc/11/80/86/499118086.db2.gz GWGTVOMNCXEECN-ZWKOTPCHSA-N 0 3 373.497 3.245 20 30 FGEDHN C[C@@]1(F)CNCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000576332017 506132509 /nfs/dbraw/zinc/13/25/09/506132509.db2.gz IVTHVSPOPFYAKV-MRXNPFEDSA-N 0 3 363.234 3.007 20 30 FGEDHN Cc1ccc2c(c1)[nH]cc2C1=CCN(CCC(=O)N(C)CCC#N)CC1 ZINC000367486759 499205078 /nfs/dbraw/zinc/20/50/78/499205078.db2.gz UPUWSJWCZBJBHO-UHFFFAOYSA-N 0 3 350.466 3.328 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CNC2(C3CC3)CCOCC2)c1C ZINC000367566263 499213273 /nfs/dbraw/zinc/21/32/73/499213273.db2.gz PJWNJVLPUOAEJS-UHFFFAOYSA-N 0 3 355.482 3.099 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000370387286 499215534 /nfs/dbraw/zinc/21/55/34/499215534.db2.gz KJNJNXBDRJXLDT-QGZVFWFLSA-N 0 3 351.410 3.186 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000370556971 499231432 /nfs/dbraw/zinc/23/14/32/499231432.db2.gz IZMXKPJSNMZUNA-UHFFFAOYSA-N 0 3 370.478 3.134 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000370564610 499232082 /nfs/dbraw/zinc/23/20/82/499232082.db2.gz BYYPEGNVSOXWBM-NHCUHLMSSA-N 0 3 361.445 3.040 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000573197473 506141439 /nfs/dbraw/zinc/14/14/39/506141439.db2.gz ARQLEDSOBDBEPK-LYRGGWFBSA-N 0 3 357.281 3.494 20 30 FGEDHN Cc1ccc2ncc(C#N)c(N3CCN(C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000368184635 499272468 /nfs/dbraw/zinc/27/24/68/499272468.db2.gz KTXFKVFJKBKVGS-KRWDZBQOSA-N 0 3 363.509 3.020 20 30 FGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCc3cnn(CCOC)c32)cc1 ZINC000368357736 499288669 /nfs/dbraw/zinc/28/86/69/499288669.db2.gz NDVFONZTYXQRAZ-OXJNMPFZSA-N 0 3 353.466 3.270 20 30 FGEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1[C@@H]1CCCO1 ZINC000368585971 499310174 /nfs/dbraw/zinc/31/01/74/499310174.db2.gz VJKUAKQGXDQBFH-MAUKXSAKSA-N 0 3 373.522 3.326 20 30 FGEDHN Cn1cc(Cl)cc1C(=O)N1CCCN(CC(C)(C)CCC#N)CC1 ZINC000371415904 499323478 /nfs/dbraw/zinc/32/34/78/499323478.db2.gz HRQXUMMUVLEIRP-UHFFFAOYSA-N 0 3 350.894 3.156 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368805302 499334655 /nfs/dbraw/zinc/33/46/55/499334655.db2.gz MCUYDKFUXKCVPD-OAHLLOKOSA-N 0 3 369.490 3.168 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000369343103 499393672 /nfs/dbraw/zinc/39/36/72/499393672.db2.gz LNEOCHCMDXRSRE-NRFANRHFSA-N 0 3 371.525 3.494 20 30 FGEDHN C#CC[C@@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372080542 499396860 /nfs/dbraw/zinc/39/68/60/499396860.db2.gz PZJCFJLWLKEXOI-VQIMIIECSA-N 0 3 365.481 3.172 20 30 FGEDHN C=CCN(C(=O)NCCc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372174030 499405632 /nfs/dbraw/zinc/40/56/32/499405632.db2.gz VJSWNXDNXHYMLK-NRFANRHFSA-N 0 3 364.493 3.096 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000372240156 499412075 /nfs/dbraw/zinc/41/20/75/499412075.db2.gz GZWGEFIHQQLMRE-QFIPXVFZSA-N 0 3 369.509 3.258 20 30 FGEDHN CN1CC[C@@H](CNC(=O)/C=C/c2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000369568815 499419648 /nfs/dbraw/zinc/41/96/48/499419648.db2.gz MLAOXUXJEIKEMQ-DZCMZPKPSA-N 0 3 351.475 3.442 20 30 FGEDHN N#Cc1csc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373429260 499469355 /nfs/dbraw/zinc/46/93/55/499469355.db2.gz WZBORDGYYFWKEQ-UHFFFAOYSA-N 0 3 357.401 3.155 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nnc(-c3ccccc3)s2)cc1 ZINC000373432366 499469447 /nfs/dbraw/zinc/46/94/47/499469447.db2.gz QEVRIUMCRXPRFK-KRWDZBQOSA-N 0 3 373.441 3.075 20 30 FGEDHN C=CCc1cc(C(=O)N2CCCC23CCN(C)CC3)cc(OC)c1OC ZINC000378338550 499503297 /nfs/dbraw/zinc/50/32/97/499503297.db2.gz YWUWYHDOZKOJCX-UHFFFAOYSA-N 0 3 358.482 3.133 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2NCc2ccn(Cc3ccccc3)n2)O1 ZINC000375314657 499506671 /nfs/dbraw/zinc/50/66/71/499506671.db2.gz VBUFXTIYDDFGIK-MXEMCNAFSA-N 0 3 350.466 3.261 20 30 FGEDHN C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000375381340 499512360 /nfs/dbraw/zinc/51/23/60/499512360.db2.gz SDSXISMZNRVGPN-YOEHRIQHSA-N 0 3 366.431 3.039 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2NCc2nccn2CCc2ccccc2)O1 ZINC000378452483 499518588 /nfs/dbraw/zinc/51/85/88/499518588.db2.gz GZEDDSYETQHSNA-NCYKPQTJSA-N 0 3 364.493 3.455 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000378487796 499523097 /nfs/dbraw/zinc/52/30/97/499523097.db2.gz KBZUJJPLEZYNAQ-SIXWZSSISA-N 0 3 363.889 3.015 20 30 FGEDHN COc1ccc2c(c1)[C@H](C)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000375664506 499542574 /nfs/dbraw/zinc/54/25/74/499542574.db2.gz NBGAVYNGABMGLO-UZLBHIALSA-N 0 3 373.456 3.438 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)COc2ccc(C#N)cc2)CCC1 ZINC000386702490 499549256 /nfs/dbraw/zinc/54/92/56/499549256.db2.gz VETGGDPZLRLYPS-UHFFFAOYSA-N 0 3 363.461 3.108 20 30 FGEDHN CN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388135352 499550136 /nfs/dbraw/zinc/55/01/36/499550136.db2.gz CFNNKQNEGDCXEU-OAQYLSRUSA-N 0 3 362.477 3.093 20 30 FGEDHN COC(=O)c1csc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000375804439 499557140 /nfs/dbraw/zinc/55/71/40/499557140.db2.gz IDHJBUKKKHKKNY-CYBMUJFWSA-N 0 3 370.478 3.121 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)c1ccccc1 ZINC000376340340 499601768 /nfs/dbraw/zinc/60/17/68/499601768.db2.gz WKGZOFTUHCLKFD-FGZHOGPDSA-N 0 3 369.553 3.363 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C3CCCC3)C2)cc1 ZINC000376584818 499620708 /nfs/dbraw/zinc/62/07/08/499620708.db2.gz RKFGSMQLCBPWRO-CYBMUJFWSA-N 0 3 361.467 3.026 20 30 FGEDHN N#CC1(CCCN2CCN(C/C=C\c3ccccc3)CC2)CCOCC1 ZINC000410314555 499654159 /nfs/dbraw/zinc/65/41/59/499654159.db2.gz ARJNOGOLUVGJBV-YWEYNIOJSA-N 0 3 353.510 3.418 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000377358634 499682834 /nfs/dbraw/zinc/68/28/34/499682834.db2.gz PFBFLHGXFMQFKM-HXUWFJFHSA-N 0 3 360.461 3.215 20 30 FGEDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(C#N)c2)CC1 ZINC000579366468 506157220 /nfs/dbraw/zinc/15/72/20/506157220.db2.gz ZPLLNQVOXPVKGP-CQSZACIVSA-N 0 3 364.405 3.462 20 30 FGEDHN CCCCNC(=O)C1(NCCC(=O)Nc2ccccc2C#N)CCCCC1 ZINC000411384762 499732248 /nfs/dbraw/zinc/73/22/48/499732248.db2.gz FXBHMEGZPKHQMZ-UHFFFAOYSA-N 0 3 370.497 3.096 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn2ccc(Br)cc2n1 ZINC000576436510 506158085 /nfs/dbraw/zinc/15/80/85/506158085.db2.gz VLNSSBAABGSEJW-WBMJQRKESA-N 0 3 350.260 3.168 20 30 FGEDHN NC(=O)[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000411968383 499807236 /nfs/dbraw/zinc/80/72/36/499807236.db2.gz GJXPKOPZWLOORQ-RBUKOAKNSA-N 0 3 372.390 3.258 20 30 FGEDHN CSc1ccccc1OC[C@H](O)CN(Cc1cc(C#N)n(C)c1)C(C)C ZINC000414555715 499808339 /nfs/dbraw/zinc/80/83/39/499808339.db2.gz MDDRIPSWJNFNHZ-GOSISDBHSA-N 0 3 373.522 3.269 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415156430 499871298 /nfs/dbraw/zinc/87/12/98/499871298.db2.gz GJDJIIPIJKKTLR-NFAWXSAZSA-N 0 3 362.499 3.315 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000415398030 499891428 /nfs/dbraw/zinc/89/14/28/499891428.db2.gz WMLGEIFPZCVHLM-LJQANCHMSA-N 0 3 365.477 3.293 20 30 FGEDHN Cc1cc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413116298 499915805 /nfs/dbraw/zinc/91/58/05/499915805.db2.gz PDQFAQINPPGUDL-HOTGVXAUSA-N 0 3 372.469 3.101 20 30 FGEDHN C=CCCn1cc(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)nn1 ZINC000424840393 499952221 /nfs/dbraw/zinc/95/22/21/499952221.db2.gz CSTWIZBJCQOMAA-HXUWFJFHSA-N 0 3 369.513 3.085 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429271654 500038806 /nfs/dbraw/zinc/03/88/06/500038806.db2.gz JHAMLUZGHAVOBM-XHDPSFHLSA-N 0 3 351.288 3.353 20 30 FGEDHN C=CCN(C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000429319867 500051565 /nfs/dbraw/zinc/05/15/65/500051565.db2.gz TVXRNYLNZATMJA-GOSISDBHSA-N 0 3 353.470 3.288 20 30 FGEDHN COC(=O)[C@@H]1CN([C@H](C)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425508287 500127973 /nfs/dbraw/zinc/12/79/73/500127973.db2.gz HHQRBILJKQTENC-UHOFOFEASA-N 0 3 365.271 3.330 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425514754 500129630 /nfs/dbraw/zinc/12/96/30/500129630.db2.gz VIERBQBXEBXJEV-GHTZIAJQSA-N 0 3 362.433 3.173 20 30 FGEDHN C=CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000425532965 500135450 /nfs/dbraw/zinc/13/54/50/500135450.db2.gz PCKVJWJLRIADGV-QUCCMNQESA-N 0 3 356.510 3.386 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000425652272 500171538 /nfs/dbraw/zinc/17/15/38/500171538.db2.gz YRVPYCDSLVEITL-DYESRHJHSA-N 0 3 364.493 3.434 20 30 FGEDHN COC(=O)[C@H]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)[C@H]1C(C)C ZINC000430133787 500197492 /nfs/dbraw/zinc/19/74/92/500197492.db2.gz ZBQMCPKSVMARJS-PXNSSMCTSA-N 0 3 374.481 3.397 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000425860571 500205950 /nfs/dbraw/zinc/20/59/50/500205950.db2.gz UEIIMXNNMHMTJO-PMXSJFBMSA-N 0 3 371.525 3.445 20 30 FGEDHN C=C(C)[C@@H](NC(=O)NCCCNCc1cccnc1)c1ccc(F)c(F)c1 ZINC000418024649 500215998 /nfs/dbraw/zinc/21/59/98/500215998.db2.gz DUOACLOLBPODKI-LJQANCHMSA-N 0 3 374.435 3.456 20 30 FGEDHN Cc1cccn2c1ncc(C(=O)C(C#N)c1ncc(C(C)(C)C)s1)c2=O ZINC000430594611 500260413 /nfs/dbraw/zinc/26/04/13/500260413.db2.gz RXHJOWNGSNQLLH-GFCCVEGCSA-N 0 3 366.446 3.247 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(CNC(N)=O)cc2)s1 ZINC000430641292 500265037 /nfs/dbraw/zinc/26/50/37/500265037.db2.gz LWSMGOSAZARKPC-ZDUSSCGKSA-N 0 3 356.451 3.099 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2c(F)cc(F)c(F)c2F)cc1 ZINC000430807169 500288235 /nfs/dbraw/zinc/28/82/35/500288235.db2.gz OZPRMBWFNUGLRQ-LBPRGKRZSA-N 0 3 361.298 3.113 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)CN(Cc2ccc(F)cc2)C1=O)C(C)C ZINC000430909231 500305202 /nfs/dbraw/zinc/30/52/02/500305202.db2.gz ZQPPUBYHBHCHNL-IBGZPJMESA-N 0 3 373.472 3.289 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 ZINC000426814908 500324035 /nfs/dbraw/zinc/32/40/35/500324035.db2.gz IUZVVRJFNCCLFN-CALCHBBNSA-N 0 3 359.489 3.409 20 30 FGEDHN N#Cc1ccc([C@@H](NCC[C@@H](c2ccccc2)C(F)(F)F)C(N)=O)cc1 ZINC000419164563 500342183 /nfs/dbraw/zinc/34/21/83/500342183.db2.gz AABPYBGOLLEWMU-DLBZAZTESA-N 0 3 361.367 3.410 20 30 FGEDHN C[C@@]1(CNC(=O)C(C#N)CCc2ccccc2)OCCc2sccc21 ZINC000427211447 500368118 /nfs/dbraw/zinc/36/81/18/500368118.db2.gz WRGMCOKBMREZTN-UZLBHIALSA-N 0 3 354.475 3.425 20 30 FGEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419837806 500404265 /nfs/dbraw/zinc/40/42/65/500404265.db2.gz MRLDOQNVUCGZAY-LBPRGKRZSA-N 0 3 357.435 3.473 20 30 FGEDHN COc1cc(Cl)cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000431824852 500429789 /nfs/dbraw/zinc/42/97/89/500429789.db2.gz RVFZEQNOHRZEHL-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN C=CCOc1cccc(NC(=O)N2CCN(c3ccncc3OC)CC2)c1 ZINC000431981660 500451165 /nfs/dbraw/zinc/45/11/65/500451165.db2.gz PDUFWDKKCGSDSL-UHFFFAOYSA-N 0 3 368.437 3.009 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000424098223 500453008 /nfs/dbraw/zinc/45/30/08/500453008.db2.gz SLKUIQBPJNCRMU-CYBMUJFWSA-N 0 3 361.339 3.063 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000424100010 500453019 /nfs/dbraw/zinc/45/30/19/500453019.db2.gz KDFJWPBVDSIFJT-OAHLLOKOSA-N 0 3 364.287 3.008 20 30 FGEDHN COc1ccc(C2(CNC(=O)[C@@H](N)CCCC#N)CCCCC2)cc1OC ZINC000424122509 500457318 /nfs/dbraw/zinc/45/73/18/500457318.db2.gz JNLUBNUSAPGZPD-KRWDZBQOSA-N 0 3 373.497 3.043 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000424144248 500460078 /nfs/dbraw/zinc/46/00/78/500460078.db2.gz KVVNJIHQFMGSTN-LJQANCHMSA-N 0 3 362.477 3.451 20 30 FGEDHN CC(C)Oc1cc(Br)cc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424159137 500462099 /nfs/dbraw/zinc/46/20/99/500462099.db2.gz UUVIRVZGJQSMMH-CQSZACIVSA-N 0 3 354.248 3.196 20 30 FGEDHN Cc1cc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)ccc1Br ZINC000424179233 500463987 /nfs/dbraw/zinc/46/39/87/500463987.db2.gz YLTAHVSNIGIBSF-HOTGVXAUSA-N 0 3 364.287 3.442 20 30 FGEDHN CN(C)CCOC1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428104880 500469723 /nfs/dbraw/zinc/46/97/23/500469723.db2.gz YQMFPTRGQBGVPX-UHFFFAOYSA-N 0 3 356.514 3.114 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000576606900 506197596 /nfs/dbraw/zinc/19/75/96/506197596.db2.gz VWOMYFVVTSDHMA-APWZRJJASA-N 0 3 372.465 3.458 20 30 FGEDHN C=CCn1cc(CN[C@H](Cc2ccccc2Br)C2CC2)nn1 ZINC000424291966 500482642 /nfs/dbraw/zinc/48/26/42/500482642.db2.gz FSAIFPADTIOXLH-QGZVFWFLSA-N 0 3 361.287 3.338 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000420823277 500510207 /nfs/dbraw/zinc/51/02/07/500510207.db2.gz PIEJSOGSPCHLBG-INIZCTEOSA-N 0 3 354.479 3.084 20 30 FGEDHN N#Cc1nnc2ccccc2c1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428662640 500540027 /nfs/dbraw/zinc/54/00/27/500540027.db2.gz CNZMDAPLDCAUFG-GOSISDBHSA-N 0 3 373.460 3.204 20 30 FGEDHN Cc1c(Cl)cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1C#N ZINC000428669530 500540897 /nfs/dbraw/zinc/54/08/97/500540897.db2.gz ARLFYIYALDSGSE-QGZVFWFLSA-N 0 3 370.884 3.040 20 30 FGEDHN CO[C@@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1 ZINC000428784189 500556924 /nfs/dbraw/zinc/55/69/24/500556924.db2.gz OKSFLDJRVOSCFE-MSOLQXFVSA-N 0 3 357.841 3.447 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000576641285 506203911 /nfs/dbraw/zinc/20/39/11/506203911.db2.gz FJBHOMRXNUKIRL-UHFFFAOYSA-N 0 3 373.403 3.314 20 30 FGEDHN CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433001146 500604178 /nfs/dbraw/zinc/60/41/78/500604178.db2.gz QXBKHXMHTQXUAR-UHFFFAOYSA-N 0 3 351.516 3.089 20 30 FGEDHN C=CC[C@@H]1N(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CCCC1(C)C ZINC000447430946 500604935 /nfs/dbraw/zinc/60/49/35/500604935.db2.gz KKPSXISAMFCOKX-SFHVURJKSA-N 0 3 357.498 3.280 20 30 FGEDHN CS(=O)(=O)c1ccc(OCCN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433012640 500606118 /nfs/dbraw/zinc/60/61/18/500606118.db2.gz UILREOIFLLUILS-HXUWFJFHSA-N 0 3 372.490 3.494 20 30 FGEDHN CS(=O)(=O)c1cccc(OCCN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433011871 500606629 /nfs/dbraw/zinc/60/66/29/500606629.db2.gz QGJCTPDRZWZHHZ-FQEVSTJZSA-N 0 3 372.490 3.494 20 30 FGEDHN N#CCCC[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000433015261 500606799 /nfs/dbraw/zinc/60/67/99/500606799.db2.gz JSBSZIDDFSQUKM-PKOBYXMFSA-N 0 3 368.433 3.180 20 30 FGEDHN COC(=O)c1coc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000447533189 500618713 /nfs/dbraw/zinc/61/87/13/500618713.db2.gz WXUXXXNAWQIADX-CZUORRHYSA-N 0 3 371.412 3.397 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1Cn1cccn1 ZINC000433220618 500649867 /nfs/dbraw/zinc/64/98/67/500649867.db2.gz QLERHEPBQNBOPH-IBGZPJMESA-N 0 3 358.445 3.320 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000437493923 500650944 /nfs/dbraw/zinc/65/09/44/500650944.db2.gz LISQEHHXTKMJPU-BWAGFHJFSA-N 0 3 370.537 3.427 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443030083 500665996 /nfs/dbraw/zinc/66/59/96/500665996.db2.gz YSMJOGHIHJNNHI-CYBMUJFWSA-N 0 3 369.918 3.000 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433310299 500669026 /nfs/dbraw/zinc/66/90/26/500669026.db2.gz BFIOGXJNPSJFDH-HKUYNNGSSA-N 0 3 356.853 3.441 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000437614564 500669345 /nfs/dbraw/zinc/66/93/45/500669345.db2.gz FMWDSUOKMBAYSI-FPOVZHCZSA-N 0 3 371.525 3.453 20 30 FGEDHN C[C@H](O)C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433383284 500685361 /nfs/dbraw/zinc/68/53/61/500685361.db2.gz HDTRUBVUXINBPO-WMQCIHAUSA-N 0 3 350.462 3.430 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CCN2CCCC2)cc1 ZINC000437853457 500707058 /nfs/dbraw/zinc/70/70/58/500707058.db2.gz SERPNGVZVLBUPN-UHFFFAOYSA-N 0 3 370.497 3.060 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(N2CCC2=O)c1)C(C)C ZINC000448057579 500713105 /nfs/dbraw/zinc/71/31/05/500713105.db2.gz YMTCQGQAVQEVEN-LJQANCHMSA-N 0 3 370.497 3.243 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)COc2cccc(OCC(C)C)c2)CC1 ZINC000448086381 500716013 /nfs/dbraw/zinc/71/60/13/500716013.db2.gz ZCXJUEAIAZWOEE-UHFFFAOYSA-N 0 3 360.498 3.257 20 30 FGEDHN Cc1cc(CNCCNC(=O)c2ccc(Br)cc2)ccc1C#N ZINC000443981339 500786818 /nfs/dbraw/zinc/78/68/18/500786818.db2.gz SRSMGZXQGFDVNM-UHFFFAOYSA-N 0 3 372.266 3.149 20 30 FGEDHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000588135242 506216631 /nfs/dbraw/zinc/21/66/31/506216631.db2.gz VYRFPVCUZKALRH-UHFFFAOYSA-N 0 3 363.527 3.028 20 30 FGEDHN C=CCC1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CCCCC1 ZINC000448885184 500860522 /nfs/dbraw/zinc/86/05/22/500860522.db2.gz RJGXRPTUBHTGSJ-UHFFFAOYSA-N 0 3 371.525 3.121 20 30 FGEDHN N#Cc1cccc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1Br ZINC000448933600 500873418 /nfs/dbraw/zinc/87/34/18/500873418.db2.gz QYSUMKJIPNROTI-AWEZNQCLSA-N 0 3 362.271 3.021 20 30 FGEDHN N#CC(CCN1CCC[C@@]2(CNC(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000444661045 500874349 /nfs/dbraw/zinc/87/43/49/500874349.db2.gz KVBDZLWMMXHDTQ-HSZRJFAPSA-N 0 3 373.500 3.488 20 30 FGEDHN CO[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1OC ZINC000444690250 500879253 /nfs/dbraw/zinc/87/92/53/500879253.db2.gz JFMONLWQWOINJR-OYRHEFFESA-N 0 3 350.462 3.232 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](CO)C(C)(C)C)c1C#N ZINC000444700240 500882819 /nfs/dbraw/zinc/88/28/19/500882819.db2.gz FUJVPYGSYDZIME-KRWDZBQOSA-N 0 3 360.502 3.027 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2cccc(C#N)c2F)[C@@H]1c1cnn(C)c1 ZINC000434750641 500889095 /nfs/dbraw/zinc/88/90/95/500889095.db2.gz XUUADEYFWURXIU-GHTZIAJQSA-N 0 3 369.488 3.336 20 30 FGEDHN Cc1ccc([C@@]2(C)CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000434749978 500889314 /nfs/dbraw/zinc/88/93/14/500889314.db2.gz ZUVZDEMQIKAVAR-UNMCSNQZSA-N 0 3 350.462 3.270 20 30 FGEDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000439486478 500904494 /nfs/dbraw/zinc/90/44/94/500904494.db2.gz NXARRPNYESJCLN-NRFANRHFSA-N 0 3 358.482 3.279 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000439915636 500954746 /nfs/dbraw/zinc/95/47/46/500954746.db2.gz PEDGUDPQSFIWGD-RTWAWAEBSA-N 0 3 352.478 3.341 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(N2CCC2=O)cc1)C(C)C ZINC000439958756 500959837 /nfs/dbraw/zinc/95/98/37/500959837.db2.gz OKWJJTKKISCLDF-LJQANCHMSA-N 0 3 370.497 3.243 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)s1 ZINC000435423112 500971861 /nfs/dbraw/zinc/97/18/61/500971861.db2.gz RSPBSTOHOIACBL-UHFFFAOYSA-N 0 3 367.540 3.087 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000440144851 500980357 /nfs/dbraw/zinc/98/03/57/500980357.db2.gz SYEAGUWEFABAIX-LJQANCHMSA-N 0 3 357.523 3.315 20 30 FGEDHN CS[C@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1N1CCCC1 ZINC000445608803 501009770 /nfs/dbraw/zinc/00/97/70/501009770.db2.gz DXEMHNAKJAOXFP-CVEARBPZSA-N 0 3 366.328 3.337 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H](CC)[C@@H](C)O)cc1OC ZINC000449532858 501027209 /nfs/dbraw/zinc/02/72/09/501027209.db2.gz ARAXQRVJZYUXGI-BXUZGUMPSA-N 0 3 358.276 3.272 20 30 FGEDHN C[C@@H]1OCC[C@H]1N(CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449675529 501059507 /nfs/dbraw/zinc/05/95/07/501059507.db2.gz AIGPNBAOFUCUEN-HTAPYJJXSA-N 0 3 366.461 3.109 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)C2CCC2)cc1OC ZINC000449739168 501071920 /nfs/dbraw/zinc/07/19/20/501071920.db2.gz JAWSOSZGAMTDEC-OAHLLOKOSA-N 0 3 370.287 3.273 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@H](O)C2CCC2)cc1OC ZINC000449739167 501072137 /nfs/dbraw/zinc/07/21/37/501072137.db2.gz JAWSOSZGAMTDEC-HNNXBMFYSA-N 0 3 370.287 3.273 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H](C)CC2(C#N)CCOCC2)[C@@H]1Oc1ccccc1 ZINC000602622469 506235072 /nfs/dbraw/zinc/23/50/72/506235072.db2.gz UQVQZFLKIJGZMZ-MDNKFWRPSA-N 0 3 358.482 3.300 20 30 FGEDHN C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436552445 501155001 /nfs/dbraw/zinc/15/50/01/501155001.db2.gz WRIBVODQIPYQMF-UHFFFAOYSA-N 0 3 367.449 3.492 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)CCCCC1 ZINC000450131885 501190098 /nfs/dbraw/zinc/19/00/98/501190098.db2.gz GZDAPGRDXRGHSU-SFHVURJKSA-N 0 3 360.498 3.453 20 30 FGEDHN COc1ccc([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])N(C)C)cc1OC ZINC000450214114 501211760 /nfs/dbraw/zinc/21/17/60/501211760.db2.gz HRAGFQXHZOLQGA-INIZCTEOSA-N 0 3 370.409 3.198 20 30 FGEDHN C[C@H](CCC#N)CN[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602638946 506241446 /nfs/dbraw/zinc/24/14/46/506241446.db2.gz YTZDHUUTQQLPFA-IUODEOHRSA-N 0 3 350.260 3.084 20 30 FGEDHN CC(C)(C)CC(C)(C)N1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000450883814 501224151 /nfs/dbraw/zinc/22/41/51/501224151.db2.gz QRCLRJQQTOGLPI-UHFFFAOYSA-N 0 3 356.514 3.363 20 30 FGEDHN Cn1c(C#N)ccc1-c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000453115074 501272429 /nfs/dbraw/zinc/27/24/29/501272429.db2.gz UWAZLUOAUIWNHE-UHFFFAOYSA-N 0 3 363.421 3.088 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](OC)C(C)(C)C1)C(C)C ZINC000457745733 501299587 /nfs/dbraw/zinc/29/95/87/501299587.db2.gz LFYKKTDYCNGQLE-ROUUACIJSA-N 0 3 351.535 3.142 20 30 FGEDHN CCO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C ZINC000451540868 501317554 /nfs/dbraw/zinc/31/75/54/501317554.db2.gz LEEQXLHUURGUHC-BBRMVZONSA-N 0 3 361.511 3.184 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453424335 501328794 /nfs/dbraw/zinc/32/87/94/501328794.db2.gz IRYHTPAWIPNDBD-HKUYNNGSSA-N 0 3 367.497 3.059 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)C)CC1 ZINC000453425689 501328971 /nfs/dbraw/zinc/32/89/71/501328971.db2.gz ODRNEHMFCSCRDD-UHFFFAOYSA-N 0 3 369.513 3.006 20 30 FGEDHN CC(C)[C@@H](CO)[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000451602376 501334621 /nfs/dbraw/zinc/33/46/21/501334621.db2.gz VLFLKXHOXMLIQU-CRAIPNDOSA-N 0 3 351.878 3.029 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453448525 501334663 /nfs/dbraw/zinc/33/46/63/501334663.db2.gz CQXCQESXQJILMV-QGZVFWFLSA-N 0 3 369.513 3.450 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000451607361 501335826 /nfs/dbraw/zinc/33/58/26/501335826.db2.gz KOMYLZBZFLVCGB-LVCYWYKZSA-N 0 3 368.502 3.155 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453469411 501340879 /nfs/dbraw/zinc/34/08/79/501340879.db2.gz WMCWMPLDSZUMAZ-MKXGPGLRSA-N 0 3 373.545 3.262 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451695681 501353163 /nfs/dbraw/zinc/35/31/63/501353163.db2.gz NVXPKEBTIPKBTH-BSDSXHPESA-N 0 3 362.539 3.134 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@H]2O)cc1OCC ZINC000453615127 501362150 /nfs/dbraw/zinc/36/21/50/501362150.db2.gz OBJFZMMYBFJRGG-HUUCEWRRSA-N 0 3 370.287 3.416 20 30 FGEDHN C[C@@H]1CN(CCCCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000455913293 501413775 /nfs/dbraw/zinc/41/37/75/501413775.db2.gz XDKPHHNQJORUFN-HDICACEKSA-N 0 3 371.525 3.133 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](CCCO)C2)c1 ZINC000452128785 501442330 /nfs/dbraw/zinc/44/23/30/501442330.db2.gz YLUJULMMJIOQRM-MOPGFXCFSA-N 0 3 357.498 3.033 20 30 FGEDHN C=CCCSCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000596093155 506253752 /nfs/dbraw/zinc/25/37/52/506253752.db2.gz SRTQNCZIWBUDQM-OAHLLOKOSA-N 0 3 353.557 3.494 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)NCc2cccc(C#N)c2)CCC1 ZINC000454317223 501511615 /nfs/dbraw/zinc/51/16/15/501511615.db2.gz KVMCMZIETZWIHJ-UHFFFAOYSA-N 0 3 362.477 3.412 20 30 FGEDHN C[C@H]1CN(CCCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCCO1 ZINC000458707783 501512212 /nfs/dbraw/zinc/51/22/12/501512212.db2.gz BAXMOLFXDYQWNZ-AZUAARDMSA-N 0 3 372.513 3.222 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccc(Cl)c(F)c2)CC1 ZINC000454454068 501549295 /nfs/dbraw/zinc/54/92/95/501549295.db2.gz AECMSPCBRJJSGL-UHFFFAOYSA-N 0 3 369.868 3.198 20 30 FGEDHN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456642086 501564768 /nfs/dbraw/zinc/56/47/68/501564768.db2.gz HIDYKHOTGYSJHP-RDJZCZTQSA-N 0 3 367.415 3.102 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000454544464 501573886 /nfs/dbraw/zinc/57/38/86/501573886.db2.gz MMIYBDJWTUSCBM-UHFFFAOYSA-N 0 3 372.296 3.322 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452978191 501595820 /nfs/dbraw/zinc/59/58/20/501595820.db2.gz QRLKBRLONFFFSE-ONTIZHBOSA-N 0 3 366.436 3.086 20 30 FGEDHN CN(Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459375268 501641744 /nfs/dbraw/zinc/64/17/44/501641744.db2.gz YSPIVFZNFKULHG-GOSISDBHSA-N 0 3 350.422 3.173 20 30 FGEDHN N#CCCCN1C(=O)CCc2cc(NC3CCN(C4CC4)CC3)ccc21 ZINC000459495044 501664086 /nfs/dbraw/zinc/66/40/86/501664086.db2.gz LCRDBOZWHMAWJD-UHFFFAOYSA-N 0 3 352.482 3.308 20 30 FGEDHN CN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470669951 501760029 /nfs/dbraw/zinc/76/00/29/501760029.db2.gz SLHLVFCYDHTXFD-OAQYLSRUSA-N 0 3 362.477 3.093 20 30 FGEDHN CN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470669950 501760053 /nfs/dbraw/zinc/76/00/53/501760053.db2.gz SLHLVFCYDHTXFD-NRFANRHFSA-N 0 3 362.477 3.093 20 30 FGEDHN CCN(CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470729640 501784071 /nfs/dbraw/zinc/78/40/71/501784071.db2.gz JIALSQADTIFREF-HXUWFJFHSA-N 0 3 360.461 3.273 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000470758943 501794008 /nfs/dbraw/zinc/79/40/08/501794008.db2.gz ZNPNJRKRKSHNAR-MRXNPFEDSA-N 0 3 353.809 3.089 20 30 FGEDHN CCN(CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(C)c1 ZINC000470758924 501794317 /nfs/dbraw/zinc/79/43/17/501794317.db2.gz ZHLIGCRJSWBNKN-HXUWFJFHSA-N 0 3 360.461 3.192 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CN1Cc1ccccc1 ZINC000467465305 501801009 /nfs/dbraw/zinc/80/10/09/501801009.db2.gz FLZCSULLYMFVSZ-RDTXWAMCSA-N 0 3 352.413 3.482 20 30 FGEDHN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460389628 501812320 /nfs/dbraw/zinc/81/23/20/501812320.db2.gz UONWYMNDEKBBTG-QGZVFWFLSA-N 0 3 355.486 3.404 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1SC[C@H](C)N(C)C ZINC000460453677 501828009 /nfs/dbraw/zinc/82/80/09/501828009.db2.gz ZZNDPMSFAPUNHW-ZDUSSCGKSA-N 0 3 350.463 3.224 20 30 FGEDHN CC(C)(C)c1csc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000470878085 501840579 /nfs/dbraw/zinc/84/05/79/501840579.db2.gz SYRVRILMVXSKHV-INIZCTEOSA-N 0 3 366.490 3.353 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2coc(-c3ccccc3)n2)cc1 ZINC000470969752 501875700 /nfs/dbraw/zinc/87/57/00/501875700.db2.gz UEDYJOPQYRSSJB-GOSISDBHSA-N 0 3 356.385 3.212 20 30 FGEDHN CC(C)(C)[C@@](C)(C#N)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000464159481 501910768 /nfs/dbraw/zinc/91/07/68/501910768.db2.gz SMNOCVDNYPXMQM-OAQYLSRUSA-N 0 3 356.514 3.033 20 30 FGEDHN CC(C)(C)Oc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000471106974 501921932 /nfs/dbraw/zinc/92/19/32/501921932.db2.gz DTAZBCBPCXYKOE-GOSISDBHSA-N 0 3 362.433 3.129 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1OC ZINC000478367863 501957378 /nfs/dbraw/zinc/95/73/78/501957378.db2.gz GFHOMESCQLEBRF-RBUKOAKNSA-N 0 3 366.461 3.088 20 30 FGEDHN N#CC(C(=O)c1ccnc(-n2cccn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464479023 502001110 /nfs/dbraw/zinc/00/11/10/502001110.db2.gz VPNOMBIKTKMLSN-ZDUSSCGKSA-N 0 3 357.295 3.171 20 30 FGEDHN N#Cc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461436581 502113013 /nfs/dbraw/zinc/11/30/13/502113013.db2.gz CSRYSTUXUYWOCK-DLBZAZTESA-N 0 3 351.475 3.214 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@H](c2cccs2)N2CCCC2)nc1 ZINC000486417297 502147795 /nfs/dbraw/zinc/14/77/95/502147795.db2.gz OOLNKICHOFBAOX-MRXNPFEDSA-N 0 3 356.495 3.308 20 30 FGEDHN CCO[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C1=CCCC1 ZINC000465119304 502195599 /nfs/dbraw/zinc/19/55/99/502195599.db2.gz HVFHLWLSSIYBSD-OAQYLSRUSA-N 0 3 369.509 3.354 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC000588672778 506301359 /nfs/dbraw/zinc/30/13/59/506301359.db2.gz YMXROLXZXPRFKP-KMEYYKJISA-N 0 3 354.498 3.279 20 30 FGEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](C)CCc2ccc(Br)cc21 ZINC000479421579 502253555 /nfs/dbraw/zinc/25/35/55/502253555.db2.gz NGFBGAOMRZLANS-BLLLJJGKSA-N 0 3 351.288 3.354 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)CC1 ZINC000462046155 502285219 /nfs/dbraw/zinc/28/52/19/502285219.db2.gz HXCDZCSCEWKRGI-KRWDZBQOSA-N 0 3 356.514 3.088 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCS[C@H](C(C)C)C1)C(C)C ZINC000465543513 502299179 /nfs/dbraw/zinc/29/91/79/502299179.db2.gz KREKWYPUUUFKOT-ROUUACIJSA-N 0 3 353.576 3.468 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@]2(CCCOC2)C1)C(C)C ZINC000476062166 502374386 /nfs/dbraw/zinc/37/43/86/502374386.db2.gz JLIRHJCSUJSZLZ-TZIWHRDSSA-N 0 3 363.546 3.287 20 30 FGEDHN CN(C)C1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)Cc2ccccc2C1 ZINC000476125808 502392738 /nfs/dbraw/zinc/39/27/38/502392738.db2.gz AJMRMZGWTOCAKD-UHFFFAOYSA-N 0 3 361.489 3.317 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000465868577 502408115 /nfs/dbraw/zinc/40/81/15/502408115.db2.gz WDHUIUYQQWRASQ-GOSISDBHSA-N 0 3 365.905 3.367 20 30 FGEDHN C=CCN(CCOc1ccccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211000 506313433 /nfs/dbraw/zinc/31/34/33/506313433.db2.gz HSZDGELJUIXICX-MRXNPFEDSA-N 0 3 367.428 3.429 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCN1C ZINC000466034001 502460464 /nfs/dbraw/zinc/46/04/64/502460464.db2.gz DRANXCSINANOGW-SMDDNHRTSA-N 0 3 370.375 3.104 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCN1C ZINC000466033992 502460787 /nfs/dbraw/zinc/46/07/87/502460787.db2.gz DRANXCSINANOGW-BXUZGUMPSA-N 0 3 370.375 3.104 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000469638817 502488601 /nfs/dbraw/zinc/48/86/01/502488601.db2.gz YQOCIGGGGCCIMF-UHFFFAOYSA-N 0 3 353.441 3.334 20 30 FGEDHN COC(=O)c1cc(CNCCSCc2ccccc2C#N)n(C)c1C ZINC000462776795 502566418 /nfs/dbraw/zinc/56/64/18/502566418.db2.gz FZNLSQYGYZFCKL-UHFFFAOYSA-N 0 3 357.479 3.015 20 30 FGEDHN COc1ccc([C@@H](CNc2ccc(C#N)c(C)n2)N2CCCCC2)cc1 ZINC000487935861 502572287 /nfs/dbraw/zinc/57/22/87/502572287.db2.gz SRWBYGCZTVNIGF-HXUWFJFHSA-N 0 3 350.466 3.331 20 30 FGEDHN N#Cc1cccc(CN2CCC(N=c3[nH]c4cccc(F)c4o3)CC2)c1 ZINC000599097469 506322629 /nfs/dbraw/zinc/32/26/29/506322629.db2.gz IXGWIDBMSPUXQY-UHFFFAOYSA-N 0 3 350.397 3.337 20 30 FGEDHN C=CCN(CC(=O)NC1(C(=O)OC)CCCCC1)CC1CCCCC1 ZINC000484513166 502658275 /nfs/dbraw/zinc/65/82/75/502658275.db2.gz IQXDGTGRDYGBOO-UHFFFAOYSA-N 0 3 350.503 3.047 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000484646107 502694802 /nfs/dbraw/zinc/69/48/02/502694802.db2.gz ODWXGLBZVHCIOT-YFVAEKQCSA-N 0 3 355.482 3.083 20 30 FGEDHN C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000477196997 502705320 /nfs/dbraw/zinc/70/53/20/502705320.db2.gz UMKIBWJAKSWPBH-FQEVSTJZSA-N 0 3 371.525 3.000 20 30 FGEDHN N#C[C@H]1CCC[C@@H](NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000463298081 502748080 /nfs/dbraw/zinc/74/80/80/502748080.db2.gz UNASCDOEKXTFNS-WCQYABFASA-N 0 3 351.244 3.392 20 30 FGEDHN N#C[C@H]1CCC[C@H](NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000463298079 502748141 /nfs/dbraw/zinc/74/81/41/502748141.db2.gz UNASCDOEKXTFNS-AAEUAGOBSA-N 0 3 351.244 3.392 20 30 FGEDHN C=CCn1cccc1C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000488576415 502755765 /nfs/dbraw/zinc/75/57/65/502755765.db2.gz NISCNRLZSBHUGA-FQEVSTJZSA-N 0 3 355.482 3.496 20 30 FGEDHN CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C(C)(C)C ZINC000602874458 506333839 /nfs/dbraw/zinc/33/38/39/506333839.db2.gz QLLXUPCFJVMSEZ-QGZVFWFLSA-N 0 3 374.554 3.099 20 30 FGEDHN CC1CCC(N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CC1 ZINC000512960963 502822018 /nfs/dbraw/zinc/82/20/18/502822018.db2.gz FEQHQNWXEXTURF-UHFFFAOYSA-N 0 3 369.484 3.452 20 30 FGEDHN C=CCOc1ccc(CN[C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1 ZINC000513060312 502841889 /nfs/dbraw/zinc/84/18/89/502841889.db2.gz ZNOMVIFELQZAID-UONOGXRCSA-N 0 3 374.510 3.418 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000505081233 502849684 /nfs/dbraw/zinc/84/96/84/502849684.db2.gz JAZYOUQVFDSOBZ-QGZVFWFLSA-N 0 3 357.479 3.059 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC(C)(C)CCC#N ZINC000513125056 502857795 /nfs/dbraw/zinc/85/77/95/502857795.db2.gz ZPJMAWOBHCCBBZ-UHFFFAOYSA-N 0 3 366.456 3.368 20 30 FGEDHN N#CCCN(CCCN1CCN(c2ccccc2)CC1)Cc1ccco1 ZINC000509663025 502961857 /nfs/dbraw/zinc/96/18/57/502961857.db2.gz BCLHBYVKENZOPC-UHFFFAOYSA-N 0 3 352.482 3.208 20 30 FGEDHN Cn1c2ccc(CNCCSCc3ccccc3C#N)cc2oc1=O ZINC000509679816 502966269 /nfs/dbraw/zinc/96/62/69/502966269.db2.gz JCEPJCNRWZWEQA-UHFFFAOYSA-N 0 3 353.447 3.026 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNc2ncc(C#N)cc2Cl)CC1 ZINC000513618439 502982444 /nfs/dbraw/zinc/98/24/44/502982444.db2.gz GCUFYLZUOPHDKH-UHFFFAOYSA-N 0 3 369.900 3.356 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](CO)c1ccccc1Cl ZINC000489690120 503012492 /nfs/dbraw/zinc/01/24/92/503012492.db2.gz KJRLKDJHALRWKU-DLBZAZTESA-N 0 3 356.853 3.305 20 30 FGEDHN COc1cc(CN2CC[C@@H]([C@@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000506036531 503033680 /nfs/dbraw/zinc/03/36/80/503033680.db2.gz NHXDAGKUFKPVNJ-OXQOHEQNSA-N 0 3 366.461 3.349 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000506203430 503068428 /nfs/dbraw/zinc/06/84/28/503068428.db2.gz MATHWRLIHVGXGT-IRXDYDNUSA-N 0 3 367.415 3.427 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000514213201 503114212 /nfs/dbraw/zinc/11/42/12/503114212.db2.gz IJKSIIHIDOJANN-KGLIPLIRSA-N 0 3 372.538 3.403 20 30 FGEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1(C)CCCC1 ZINC000490213986 503133113 /nfs/dbraw/zinc/13/31/13/503133113.db2.gz BWZDREIZSHPWPR-UHFFFAOYSA-N 0 3 352.400 3.438 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)N(C)C ZINC000510528585 503134970 /nfs/dbraw/zinc/13/49/70/503134970.db2.gz XQSXASHMVRSJJF-LZJOCLMNSA-N 0 3 365.477 3.442 20 30 FGEDHN C[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@H]1C ZINC000514567570 503138482 /nfs/dbraw/zinc/13/84/82/503138482.db2.gz VPPFJVWVFJKASN-UWVAXJGDSA-N 0 3 356.514 3.456 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502165699 503154468 /nfs/dbraw/zinc/15/44/68/503154468.db2.gz GEJUIFWPZYZVAD-QGZVFWFLSA-N 0 3 352.482 3.231 20 30 FGEDHN N#CCSCCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510607541 503154595 /nfs/dbraw/zinc/15/45/95/503154595.db2.gz HBVHXGHYYSROOC-LJQANCHMSA-N 0 3 359.539 3.237 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000498363643 503169478 /nfs/dbraw/zinc/16/94/78/503169478.db2.gz KVNMOXXDDQYGMQ-RTWAWAEBSA-N 0 3 363.461 3.142 20 30 FGEDHN C[C@H](NC(=O)NCc1cc(C#N)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC000498410112 503181268 /nfs/dbraw/zinc/18/12/68/503181268.db2.gz QBHLBDMWQQJDSM-LIRRHRJNSA-N 0 3 354.429 3.188 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1CC(C)C)C(C)C ZINC000506912925 503193463 /nfs/dbraw/zinc/19/34/63/503193463.db2.gz CVZRAYBXRXSOLD-RBUKOAKNSA-N 0 3 351.535 3.142 20 30 FGEDHN N#CCc1ccc(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1 ZINC000510939222 503221185 /nfs/dbraw/zinc/22/11/85/503221185.db2.gz WQGXGULTMKJSPY-INIZCTEOSA-N 0 3 353.388 3.033 20 30 FGEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000507085823 503227504 /nfs/dbraw/zinc/22/75/04/503227504.db2.gz FZTABVSYNWAVSL-FQEVSTJZSA-N 0 3 359.470 3.257 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)Cc1c(F)cccc1C#N)c1ccccc1 ZINC000511181040 503275364 /nfs/dbraw/zinc/27/53/64/503275364.db2.gz DBMWLOJWXSEQKW-HNNXBMFYSA-N 0 3 353.441 3.485 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(C#N)c2ccccc2n1 ZINC000491171561 503281945 /nfs/dbraw/zinc/28/19/45/503281945.db2.gz KUEUFZMFATZFGP-QHCPKHFHSA-N 0 3 372.472 3.180 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1OC1CC1 ZINC000515304416 503310662 /nfs/dbraw/zinc/31/06/62/503310662.db2.gz LVLPUXJCSTXOHQ-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN Cc1cccc(C)c1OCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000515414703 503333559 /nfs/dbraw/zinc/33/35/59/503333559.db2.gz MQPHVLQQJOVNNO-UHFFFAOYSA-N 0 3 372.490 3.008 20 30 FGEDHN Cn1cc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000499253430 503365844 /nfs/dbraw/zinc/36/58/44/503365844.db2.gz HYYHNVCNDXKPEK-MOPGFXCFSA-N 0 3 352.482 3.188 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000499439239 503404884 /nfs/dbraw/zinc/40/48/84/503404884.db2.gz AAROUGXDKQPDOE-UHFFFAOYSA-N 0 3 374.488 3.360 20 30 FGEDHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000503521272 503428282 /nfs/dbraw/zinc/42/82/82/503428282.db2.gz CDXSGQLIOSOWPL-NUEKZKHPSA-N 0 3 351.397 3.072 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494497891 503552549 /nfs/dbraw/zinc/55/25/49/503552549.db2.gz SWOOWZLPLSCOEA-CZANMRCUSA-N 0 3 363.889 3.203 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccco1 ZINC000504419589 503571732 /nfs/dbraw/zinc/57/17/32/503571732.db2.gz PHRMPAIAONJFEZ-QAPCUYQASA-N 0 3 357.429 3.199 20 30 FGEDHN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC2CC2)CC1 ZINC000508864388 503581884 /nfs/dbraw/zinc/58/18/84/503581884.db2.gz OIBAYLRKOUVPRQ-UHFFFAOYSA-N 0 3 363.465 3.409 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000494684113 503591436 /nfs/dbraw/zinc/59/14/36/503591436.db2.gz HTQGZRLTFZSPOO-RTWAWAEBSA-N 0 3 370.541 3.115 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(C(=O)OCC)c(C)cc2F)CC1 ZINC000500264881 503591629 /nfs/dbraw/zinc/59/16/29/503591629.db2.gz AANWSCFOAOFKIX-UHFFFAOYSA-N 0 3 363.433 3.083 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](OCC3CC3)C2)cc1Cl ZINC000494686749 503592355 /nfs/dbraw/zinc/59/23/55/503592355.db2.gz AVVBYTAKIFWOHK-KRWDZBQOSA-N 0 3 361.873 3.431 20 30 FGEDHN CC(C)(C(=O)NC[C@H]1CCN1C1CCCCC1)c1cc(F)cc(C#N)c1 ZINC000529715393 503673602 /nfs/dbraw/zinc/67/36/02/503673602.db2.gz FSRNFIVEYAJSCN-LJQANCHMSA-N 0 3 357.473 3.498 20 30 FGEDHN C[C@@]1(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO[C@H]1C1CC1 ZINC000543239648 503693165 /nfs/dbraw/zinc/69/31/65/503693165.db2.gz RGCJUTITVKPEBD-AZUAARDMSA-N 0 3 373.522 3.374 20 30 FGEDHN N#Cc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1F ZINC000517442149 503746441 /nfs/dbraw/zinc/74/64/41/503746441.db2.gz MFZQBXJRFWCYFD-GOSISDBHSA-N 0 3 352.413 3.483 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000537068378 503793659 /nfs/dbraw/zinc/79/36/59/503793659.db2.gz AOPHIJBFLFTXGU-IBGZPJMESA-N 0 3 369.440 3.298 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1 ZINC000530051943 503815122 /nfs/dbraw/zinc/81/51/22/503815122.db2.gz SSTFIBXKHPXUNN-SIKIZQCASA-N 0 3 361.832 3.348 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000533368267 503819074 /nfs/dbraw/zinc/81/90/74/503819074.db2.gz ZOVNGSLPDCHDNK-OAQYLSRUSA-N 0 3 351.425 3.445 20 30 FGEDHN C=CCC[C@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1ccccc1 ZINC000537155213 503819873 /nfs/dbraw/zinc/81/98/73/503819873.db2.gz ANGCIBLQTAFFLK-NRFANRHFSA-N 0 3 367.493 3.221 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000546707840 503846440 /nfs/dbraw/zinc/84/64/40/503846440.db2.gz YLNYIXWOJQDEAJ-GOSISDBHSA-N 0 3 352.438 3.300 20 30 FGEDHN COc1cc(CN2CCN(C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000533441733 503847103 /nfs/dbraw/zinc/84/71/03/503847103.db2.gz XLLRWFVYNGKMKI-KRWDZBQOSA-N 0 3 365.477 3.282 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccncn1 ZINC000546859147 503904686 /nfs/dbraw/zinc/90/46/86/503904686.db2.gz BJBBUZLJVRCXNH-CYBMUJFWSA-N 0 3 357.295 3.171 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)CC1 ZINC000527730421 503918978 /nfs/dbraw/zinc/91/89/78/503918978.db2.gz OPNFTSMJPKHPIV-QXAKKESOSA-N 0 3 359.901 3.318 20 30 FGEDHN C=CCOc1ccccc1CNC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000518248602 503935851 /nfs/dbraw/zinc/93/58/51/503935851.db2.gz SILIVHYNNFJTMK-IBGZPJMESA-N 0 3 371.550 3.391 20 30 FGEDHN COc1cc(CN2C[C@H](O)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000530360861 503937641 /nfs/dbraw/zinc/93/76/41/503937641.db2.gz XBXRWMJSNFWXTN-HNAYVOBHSA-N 0 3 352.434 3.101 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cn2c(cccc2C)n1)C(C)C ZINC000537595946 503967502 /nfs/dbraw/zinc/96/75/02/503967502.db2.gz DZXBMGFCETUJFB-IBGZPJMESA-N 0 3 369.513 3.141 20 30 FGEDHN N#Cc1ccccc1OCCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541021873 503977069 /nfs/dbraw/zinc/97/70/69/503977069.db2.gz SWJUZUCSYHLNQW-MRXNPFEDSA-N 0 3 350.340 3.279 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1cccc(N(C)C)c1 ZINC000534106399 504041844 /nfs/dbraw/zinc/04/18/44/504041844.db2.gz MNGPZKBXJDBXFX-NRFANRHFSA-N 0 3 354.494 3.353 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(OC(C)C)CC1)C(C)C ZINC000530678004 504050123 /nfs/dbraw/zinc/05/01/23/504050123.db2.gz VULLAYMVBAMXFO-LJQANCHMSA-N 0 3 351.535 3.284 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518984444 504111218 /nfs/dbraw/zinc/11/12/18/504111218.db2.gz VYWZAEKUTCUNJQ-GOSISDBHSA-N 0 3 364.449 3.350 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C2CCOCC2)C1 ZINC000534381620 504126361 /nfs/dbraw/zinc/12/63/61/504126361.db2.gz AZGJFWAXFMDIGZ-WMZOPIPTSA-N 0 3 362.539 3.400 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)nc1 ZINC000538096857 504131795 /nfs/dbraw/zinc/13/17/95/504131795.db2.gz WUEJVJNTJZXDGJ-QFBILLFUSA-N 0 3 350.466 3.245 20 30 FGEDHN Cn1cc(CN2CCC(OC3CCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000519119944 504145154 /nfs/dbraw/zinc/14/51/54/504145154.db2.gz ATBVGMHJGNOVOB-UHFFFAOYSA-N 0 3 350.466 3.492 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000528352291 504182795 /nfs/dbraw/zinc/18/27/95/504182795.db2.gz BWXFFVXDMXJXNA-PMACEKPBSA-N 0 3 354.425 3.144 20 30 FGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)COc1ccccc1C#N ZINC000528391277 504202897 /nfs/dbraw/zinc/20/28/97/504202897.db2.gz XLKUREVXOXXFHT-ZTNFWEORSA-N 0 3 354.425 3.315 20 30 FGEDHN CN1CCN(CC2(C)CCN(CC#Cc3ccccc3Cl)CC2)CC1 ZINC000541664884 504215053 /nfs/dbraw/zinc/21/50/53/504215053.db2.gz DKTXYJOAYMLVND-UHFFFAOYSA-N 0 3 359.945 3.041 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2cccc(C)c2Br)CC1 ZINC000528449841 504229337 /nfs/dbraw/zinc/22/93/37/504229337.db2.gz RLLQXFGOWUOVRF-UHFFFAOYSA-N 0 3 351.288 3.067 20 30 FGEDHN CCOC(=O)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000538403873 504236572 /nfs/dbraw/zinc/23/65/72/504236572.db2.gz FUWYYIKTLCEMLR-OAHLLOKOSA-N 0 3 371.412 3.226 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000528487756 504244147 /nfs/dbraw/zinc/24/41/47/504244147.db2.gz LDLVVFHFAVVIOX-RDJZCZTQSA-N 0 3 368.399 3.352 20 30 FGEDHN COCCc1noc(CC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000528626103 504301191 /nfs/dbraw/zinc/30/11/91/504301191.db2.gz IUTRREGDFMEJTB-HNNXBMFYSA-N 0 3 354.454 3.146 20 30 FGEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000541921535 504302726 /nfs/dbraw/zinc/30/27/26/504302726.db2.gz LLRKTEKTCLAMSS-INIZCTEOSA-N 0 3 373.497 3.066 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000519857514 504366837 /nfs/dbraw/zinc/36/68/37/504366837.db2.gz FKFDQMLSGMLEHN-HNNXBMFYSA-N 0 3 365.437 3.209 20 30 FGEDHN C=CCCOCCNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000535252534 504383748 /nfs/dbraw/zinc/38/37/48/504383748.db2.gz QHYHTGLGPQQUHT-FQEVSTJZSA-N 0 3 359.514 3.352 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)CC1 ZINC000542264509 504429582 /nfs/dbraw/zinc/42/95/82/504429582.db2.gz YQRVNMGOWYUSKX-JXFKEZNVSA-N 0 3 357.498 3.438 20 30 FGEDHN N#Cc1ccccc1COc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000545445972 504489568 /nfs/dbraw/zinc/48/95/68/504489568.db2.gz PHHAZRGYQOYWMD-IBGZPJMESA-N 0 3 354.369 3.417 20 30 FGEDHN C[C@](C#N)(NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21)C1CC1 ZINC000548603607 504492077 /nfs/dbraw/zinc/49/20/77/504492077.db2.gz ZCAHJBDAZSKPKD-NXLVEIQXSA-N 0 3 351.494 3.453 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(F)(F)C[C@H]2C)cc1 ZINC000529081243 504524370 /nfs/dbraw/zinc/52/43/70/504524370.db2.gz LKVHHTFGIWOGPT-NEPJUHHUSA-N 0 3 371.409 3.024 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3NCCc4ccccc43)CC2)cc1 ZINC000520548729 504525664 /nfs/dbraw/zinc/52/56/64/504525664.db2.gz LCLXVBLOMSIWAN-QFIPXVFZSA-N 0 3 372.472 3.244 20 30 FGEDHN N#CCNC(=O)CN[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000542530045 504528697 /nfs/dbraw/zinc/52/86/97/504528697.db2.gz CWVKBKWJRRFBDL-GDBMZVCRSA-N 0 3 353.388 3.351 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC(=O)NC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000539329382 504531851 /nfs/dbraw/zinc/53/18/51/504531851.db2.gz HNXUMRPUMUANCB-OAHLLOKOSA-N 0 3 369.387 3.291 20 30 FGEDHN C=CCC[C@H](NCCNS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331946 504532557 /nfs/dbraw/zinc/53/25/57/504532557.db2.gz RPRHLCLUPZVYJK-HNNXBMFYSA-N 0 3 364.433 3.242 20 30 FGEDHN C[C@@H](CCN1C(=O)c2ccccc2C1=O)NC1(c2cccc(C#N)c2)CC1 ZINC000520778693 504579613 /nfs/dbraw/zinc/57/96/13/504579613.db2.gz MEGJGCZQRJMNCM-HNNXBMFYSA-N 0 3 359.429 3.212 20 30 FGEDHN COc1ccc(NC(=O)C2(NCCC(C)(C)C#N)CCCC2)cc1OC ZINC000539567438 504611195 /nfs/dbraw/zinc/61/11/95/504611195.db2.gz CBHILJMBOSMOCH-UHFFFAOYSA-N 0 3 359.470 3.485 20 30 FGEDHN C=CCN(CCOc1ccccc1C#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520939385 504612603 /nfs/dbraw/zinc/61/26/03/504612603.db2.gz ULPQZBIBVKQOLF-KRWDZBQOSA-N 0 3 374.448 3.162 20 30 FGEDHN CC(C)(C)c1ccc(CCNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000548908181 504614764 /nfs/dbraw/zinc/61/47/64/504614764.db2.gz DWZIXDKOTWKECG-UHFFFAOYSA-N 0 3 370.518 3.462 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000532504818 504674028 /nfs/dbraw/zinc/67/40/28/504674028.db2.gz DFBQTAVKLVWJBI-UTKZUKDTSA-N 0 3 359.473 3.369 20 30 FGEDHN C[C@H](NC(=O)NCc1ccccc1OCCN(C)C)c1ccc(C#N)cc1 ZINC000521215957 504683075 /nfs/dbraw/zinc/68/30/75/504683075.db2.gz UESJOPGBXNJOAY-INIZCTEOSA-N 0 3 366.465 3.059 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000521285868 504701844 /nfs/dbraw/zinc/70/18/44/504701844.db2.gz XFDYRPCGOLEGHO-QGZVFWFLSA-N 0 3 371.868 3.052 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCn2ccc3cc(Cl)ccc32)CC1 ZINC000565295945 504846565 /nfs/dbraw/zinc/84/65/65/504846565.db2.gz BTZAEQJZXUJVEM-UHFFFAOYSA-N 0 3 360.889 3.244 20 30 FGEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCNC2=O)cc1 ZINC000562679968 504906509 /nfs/dbraw/zinc/90/65/09/504906509.db2.gz OUWDIRHUBDRBJE-LJQANCHMSA-N 0 3 351.425 3.226 20 30 FGEDHN C[C@H](N[C@@H]1CCOC[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000565517846 504910116 /nfs/dbraw/zinc/91/01/16/504910116.db2.gz SIFRPJKNIVSHFA-DVOMOZLQSA-N 0 3 361.511 3.230 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000565536233 504915997 /nfs/dbraw/zinc/91/59/97/504915997.db2.gz ZELXCLXXNPVJIC-LEWJYISDSA-N 0 3 373.447 3.045 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(c4ccc(F)cc4Cl)CC3)cnc12 ZINC000565540530 504917326 /nfs/dbraw/zinc/91/73/26/504917326.db2.gz ZUYOVMVYMFKGHW-UHFFFAOYSA-N 0 3 355.804 3.215 20 30 FGEDHN C[C@@H]([NH2+]C1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCC1)c1ccccc1 ZINC000553494492 504930695 /nfs/dbraw/zinc/93/06/95/504930695.db2.gz GBTSWZRYNVJKMJ-OAHLLOKOSA-N 0 3 373.478 3.093 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000562900434 504980408 /nfs/dbraw/zinc/98/04/08/504980408.db2.gz ROOVOUSRKPTCDL-UXHICEINSA-N 0 3 372.513 3.063 20 30 FGEDHN Cc1cccc(COc2ccc([C@@H](C)NCCn3cnc(C#N)n3)cc2)c1 ZINC000556921859 505017892 /nfs/dbraw/zinc/01/78/92/505017892.db2.gz YFAABQMQXNMBBL-QGZVFWFLSA-N 0 3 361.449 3.388 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCc3sc(Cl)cc32)cc1 ZINC000563013026 505020362 /nfs/dbraw/zinc/02/03/62/505020362.db2.gz ZELFWSYYSQYNRA-CJNGLKHVSA-N 0 3 362.882 3.484 20 30 FGEDHN COC(=O)C1CCN(CCCNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000553825804 505020621 /nfs/dbraw/zinc/02/06/21/505020621.db2.gz USGLMNGMMMNIHY-UHFFFAOYSA-N 0 3 369.387 3.264 20 30 FGEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C12CCCC2 ZINC000565977061 505043556 /nfs/dbraw/zinc/04/35/56/505043556.db2.gz UYIVKLROKIWJOU-SJORKVTESA-N 0 3 361.873 3.478 20 30 FGEDHN Cc1cccc(O[C@H]2CCCC[C@@H]2NCc2cnc3c(C#N)cnn3c2)c1 ZINC000563150739 505060704 /nfs/dbraw/zinc/06/07/04/505060704.db2.gz QSFDYIWTUHGPIA-PMACEKPBSA-N 0 3 361.449 3.389 20 30 FGEDHN C[C@@H]1[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000566045022 505063159 /nfs/dbraw/zinc/06/31/59/505063159.db2.gz DOPYZSVFPDXEAT-JJCGOBCMSA-N 0 3 359.473 3.441 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)N2CCC(CCC#N)CC2)CCN1Cc1ccccc1 ZINC000566153370 505099653 /nfs/dbraw/zinc/09/96/53/505099653.db2.gz NZNWITJSTNCNBB-XLIONFOSSA-N 0 3 354.498 3.375 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1C#N ZINC000560484784 505099632 /nfs/dbraw/zinc/09/96/32/505099632.db2.gz QLTHYDJGNRKQOE-AWEZNQCLSA-N 0 3 358.511 3.107 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2ccnc(C#N)c2)N(CC)CC)cc1 ZINC000566315960 505142430 /nfs/dbraw/zinc/14/24/30/505142430.db2.gz DVHPHHDDQLLQQM-HXUWFJFHSA-N 0 3 350.466 3.329 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000557537892 505161142 /nfs/dbraw/zinc/16/11/42/505161142.db2.gz KCFFZYIPGKSHQM-XJKSGUPXSA-N 0 3 351.410 3.296 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@@H]2c2ccccc2)nc1 ZINC000563564791 505178177 /nfs/dbraw/zinc/17/81/77/505178177.db2.gz LPTORNDLPDCFMA-RTBURBONSA-N 0 3 369.490 3.043 20 30 FGEDHN Cc1cc(NC(=O)c2ncc(C#N)cc2C)ccc1OCCN1CCCC1 ZINC000551300296 505196124 /nfs/dbraw/zinc/19/61/24/505196124.db2.gz JQPHMFZBQYBQQM-UHFFFAOYSA-N 0 3 364.449 3.297 20 30 FGEDHN CSC1c2cc(-c3noc(-c4ncc(C#N)cc4C)n3)ccc2NC1=O ZINC000551353953 505207553 /nfs/dbraw/zinc/20/75/53/505207553.db2.gz NQNSFJZUARHWIH-OAHLLOKOSA-N 0 3 363.402 3.335 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CNCc1ccccc1-c1ccc(Cl)cc1 ZINC000563805165 505244015 /nfs/dbraw/zinc/24/40/15/505244015.db2.gz ALRKUSOSBGZPDP-IBGZPJMESA-N 0 3 357.885 3.303 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)s1 ZINC000563848802 505256086 /nfs/dbraw/zinc/25/60/86/505256086.db2.gz IOYUNJREVWIISJ-AWEZNQCLSA-N 0 3 374.535 3.393 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)N(C)C)cc1 ZINC000563908849 505273144 /nfs/dbraw/zinc/27/31/44/505273144.db2.gz ACEFZBQZPHHHSP-GOSISDBHSA-N 0 3 369.425 3.363 20 30 FGEDHN CCN(Cc1ccc(C(=O)NCC(=O)c2ccc(C#N)cc2)cc1)C1CC1 ZINC000566931670 505313990 /nfs/dbraw/zinc/31/39/90/505313990.db2.gz XXUKRQDCGAZJJK-UHFFFAOYSA-N 0 3 361.445 3.155 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551992155 505365249 /nfs/dbraw/zinc/36/52/49/505365249.db2.gz IZKPFMDRSLOMPE-DLBZAZTESA-N 0 3 350.422 3.035 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCN2CCC[C@@H]2C1 ZINC000555243437 505389293 /nfs/dbraw/zinc/38/92/93/505389293.db2.gz TZHFAUFPUBYWJV-QGZVFWFLSA-N 0 3 371.916 3.383 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000552214847 505431124 /nfs/dbraw/zinc/43/11/24/505431124.db2.gz OQEYJSPBJXIRIY-XLIONFOSSA-N 0 3 370.424 3.135 20 30 FGEDHN C[C@H](N[C@@H]1CCCC12CCOCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000558629006 505444667 /nfs/dbraw/zinc/44/46/67/505444667.db2.gz GSAPOYMUAMQUGI-SUMWQHHRSA-N 0 3 373.522 3.374 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)nc1 ZINC000555674303 505490585 /nfs/dbraw/zinc/49/05/85/505490585.db2.gz XZABZEYBUSWSSW-QGZVFWFLSA-N 0 3 350.470 3.499 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)nc1 ZINC000555674303 505490588 /nfs/dbraw/zinc/49/05/88/505490588.db2.gz XZABZEYBUSWSSW-QGZVFWFLSA-N 0 3 350.470 3.499 20 30 FGEDHN COc1cc(CN2CCC[C@@H](O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000555774826 505512861 /nfs/dbraw/zinc/51/28/61/505512861.db2.gz HCIYWXDCXAETNE-HXUWFJFHSA-N 0 3 366.461 3.493 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000555843406 505525118 /nfs/dbraw/zinc/52/51/18/505525118.db2.gz IYOIAQCFKBRAAQ-UHFFFAOYSA-N 0 3 373.460 3.152 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(Cl)c1F ZINC000562239118 505548720 /nfs/dbraw/zinc/54/87/20/505548720.db2.gz IIRPGAPNCONXIW-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN COc1ccc2oc(N3CCCN(Cc4ccc(C#N)cc4)CC3)nc2c1 ZINC000567751621 505556512 /nfs/dbraw/zinc/55/65/12/505556512.db2.gz IMNQYQABMGMZQQ-UHFFFAOYSA-N 0 3 362.433 3.420 20 30 FGEDHN COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(CCC#N)CC2)cc1F ZINC000567791370 505563164 /nfs/dbraw/zinc/56/31/64/505563164.db2.gz OZMKYYPSGJYTHV-HNNXBMFYSA-N 0 3 361.461 3.197 20 30 FGEDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599252355 506386609 /nfs/dbraw/zinc/38/66/09/506386609.db2.gz OEPDRTBAEPWWCU-INIZCTEOSA-N 0 3 362.376 3.031 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000599260591 506387697 /nfs/dbraw/zinc/38/76/97/506387697.db2.gz CDOIWNRNOFTJBO-QZTJIDSGSA-N 0 3 372.490 3.041 20 30 FGEDHN Cc1ccccc1[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000582748965 506395373 /nfs/dbraw/zinc/39/53/73/506395373.db2.gz PIUYKDRFQJYHJJ-LJQANCHMSA-N 0 3 371.506 3.412 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596423654 506399615 /nfs/dbraw/zinc/39/96/15/506399615.db2.gz NPGDFOZYETUDTJ-HXUWFJFHSA-N 0 3 372.472 3.016 20 30 FGEDHN C=CCn1c(CC(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000582755081 506399662 /nfs/dbraw/zinc/39/96/62/506399662.db2.gz VUUKZHYTCAQDRC-IBGZPJMESA-N 0 3 353.514 3.373 20 30 FGEDHN CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)CC2(C#N)CCOCC2)s1 ZINC000599299226 506403217 /nfs/dbraw/zinc/40/32/17/506403217.db2.gz IGYSIGUSFPKNCR-GJZGRUSLSA-N 0 3 351.516 3.078 20 30 FGEDHN CC(C)Oc1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2C#N)cc1 ZINC000599348771 506423072 /nfs/dbraw/zinc/42/30/72/506423072.db2.gz LOMNBOGPRVEIBC-VQIMIIECSA-N 0 3 354.450 3.436 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2ccnc(C#N)c2)[C@H]1c1cccs1 ZINC000603129815 506432372 /nfs/dbraw/zinc/43/23/72/506432372.db2.gz PEEZNPCZGWXDJU-DYVFJYSZSA-N 0 3 355.467 3.219 20 30 FGEDHN N#CC1(CCCN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CCOCC1 ZINC000603146355 506435915 /nfs/dbraw/zinc/43/59/15/506435915.db2.gz RBYBYKQRSXDBMM-IAGOWNOFSA-N 0 3 370.415 3.211 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3nc4ccc(N)cc4s3)CC2)cc1 ZINC000589104505 506442203 /nfs/dbraw/zinc/44/22/03/506442203.db2.gz MKVFPDAOKMMOTJ-UHFFFAOYSA-N 0 3 363.490 3.462 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)CCN1Cc1ccccc1 ZINC000612135349 506453901 /nfs/dbraw/zinc/45/39/01/506453901.db2.gz FIIBMAMPKMDYSJ-QFUCXCTJSA-N 0 3 354.498 3.375 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612134944 506453960 /nfs/dbraw/zinc/45/39/60/506453960.db2.gz KTLMUGLCBNXAEF-QFUCXCTJSA-N 0 3 354.498 3.232 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000599570053 506503865 /nfs/dbraw/zinc/50/38/65/506503865.db2.gz SSMDBEDNUXRNJS-WIYYLYMNSA-N 0 3 351.450 3.018 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1F ZINC000596675794 506526294 /nfs/dbraw/zinc/52/62/94/506526294.db2.gz ZYXYVJRSAKZGAX-LJQANCHMSA-N 0 3 355.388 3.403 20 30 FGEDHN COC(=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599631307 506540783 /nfs/dbraw/zinc/54/07/83/506540783.db2.gz QYTAUGWAKKPOCN-UHFFFAOYSA-N 0 3 350.418 3.140 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)N2CCCC2)cc1 ZINC000612362856 506545049 /nfs/dbraw/zinc/54/50/49/506545049.db2.gz IMENUDNIFZOCCN-CTNGQTDRSA-N 0 3 354.498 3.467 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000596723075 506560925 /nfs/dbraw/zinc/56/09/25/506560925.db2.gz GSANFCLFBFVZDG-GFCCVEGCSA-N 0 3 352.385 3.154 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000589634262 506613635 /nfs/dbraw/zinc/61/36/35/506613635.db2.gz CNCOYYHTFCNWPS-LPHOPBHVSA-N 0 3 368.477 3.268 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC000596829312 506622909 /nfs/dbraw/zinc/62/29/09/506622909.db2.gz SFBDSDSZCJZWFK-NRFANRHFSA-N 0 3 365.452 3.318 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000604124437 506723455 /nfs/dbraw/zinc/72/34/55/506723455.db2.gz FUAAZXCTLWZVBR-CYBMUJFWSA-N 0 3 366.303 3.282 20 30 FGEDHN N#Cc1cccc(OCc2ccoc2C(=O)NCCN2CCCCCC2)c1 ZINC000608839001 506724111 /nfs/dbraw/zinc/72/41/11/506724111.db2.gz KMZUVWOVZVNFJI-UHFFFAOYSA-N 0 3 367.449 3.336 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)N2CC[C@](F)(C#N)C2)N(CC)CC)cc1 ZINC000590100140 506733999 /nfs/dbraw/zinc/73/39/99/506733999.db2.gz INOMFHRFSCEXGQ-QUCCMNQESA-N 0 3 360.477 3.279 20 30 FGEDHN Cn1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c(C(C)(C)C)n1 ZINC000593692564 506734105 /nfs/dbraw/zinc/73/41/05/506734105.db2.gz FUPMBYOUBXAFDL-UHFFFAOYSA-N 0 3 365.525 3.343 20 30 FGEDHN COc1ccc(F)cc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593691588 506734950 /nfs/dbraw/zinc/73/49/50/506734950.db2.gz DWSAVUZQRDSALI-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN Cn1c(=O)ccc2c1CCC[C@H]2NCc1cccc(OCCCC#N)c1 ZINC000593694027 506736368 /nfs/dbraw/zinc/73/63/68/506736368.db2.gz HYQWTQMYZKMKAV-LJQANCHMSA-N 0 3 351.450 3.235 20 30 FGEDHN CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CCN(C)CC1 ZINC000599986469 506736500 /nfs/dbraw/zinc/73/65/00/506736500.db2.gz UIWGQTHKTQZWHL-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN CN(C)CCn1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000590121150 506742445 /nfs/dbraw/zinc/74/24/45/506742445.db2.gz KNGYGGYYMHNPBD-SFHVURJKSA-N 0 3 354.458 3.001 20 30 FGEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2n1CC#N ZINC000609165070 506800097 /nfs/dbraw/zinc/80/00/97/506800097.db2.gz FIGVJDCMNLOWFA-LJQANCHMSA-N 0 3 360.461 3.068 20 30 FGEDHN N#CCCN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc(F)cc1 ZINC000597178682 506816187 /nfs/dbraw/zinc/81/61/87/506816187.db2.gz AANTYGRPHWJPKF-HUUCEWRRSA-N 0 3 374.334 3.056 20 30 FGEDHN CN1C[C@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@@H]2C1 ZINC000590445637 506826571 /nfs/dbraw/zinc/82/65/71/506826571.db2.gz QFZNEZWUGKXNJT-DNVCBOLYSA-N 0 3 365.408 3.266 20 30 FGEDHN Cc1ccccc1CN(C[C@@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000604501255 506853308 /nfs/dbraw/zinc/85/33/08/506853308.db2.gz MDXVPOGOSKMRCI-OAQYLSRUSA-N 0 3 350.462 3.465 20 30 FGEDHN C[C@@H](O)[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000597249345 506860460 /nfs/dbraw/zinc/86/04/60/506860460.db2.gz QMXGVCFHIZXBMV-OXQOHEQNSA-N 0 3 361.449 3.070 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521381 506861085 /nfs/dbraw/zinc/86/10/85/506861085.db2.gz GTVKGACSGKPTNT-QFUCXCTJSA-N 0 3 357.498 3.094 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000593991735 506870491 /nfs/dbraw/zinc/87/04/91/506870491.db2.gz KFXLSCXDIOWWPE-LPHOPBHVSA-N 0 3 363.461 3.093 20 30 FGEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597322049 506896022 /nfs/dbraw/zinc/89/60/22/506896022.db2.gz YWULYLLMKZRTMN-INIZCTEOSA-N 0 3 369.415 3.431 20 30 FGEDHN COc1ccc(COC[C@H](O)CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594033159 506897542 /nfs/dbraw/zinc/89/75/42/506897542.db2.gz XGCOLINHQVZKFS-HXUWFJFHSA-N 0 3 366.461 3.113 20 30 FGEDHN CC(C)(C)N1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000609520540 506908024 /nfs/dbraw/zinc/90/80/24/506908024.db2.gz RBBGDSKQUFFYAH-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN O=C(CN1CCC[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000590787971 506957270 /nfs/dbraw/zinc/95/72/70/506957270.db2.gz PFJRNOHTEUCYGJ-QGZVFWFLSA-N 0 3 350.384 3.048 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594284039 507062956 /nfs/dbraw/zinc/06/29/56/507062956.db2.gz QDYLRJVMVKNYQP-ANULTFPQSA-N 0 3 366.509 3.485 20 30 FGEDHN CC(C)N1C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000610009943 507070955 /nfs/dbraw/zinc/07/09/55/507070955.db2.gz HKKUHHLICHPSRL-FQEVSTJZSA-N 0 3 363.461 3.236 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccc(F)cc1C(F)(F)F ZINC000600715237 507078660 /nfs/dbraw/zinc/07/86/60/507078660.db2.gz AODYUTIOVQRODX-OAHLLOKOSA-N 0 3 368.330 3.246 20 30 FGEDHN CC[C@H](C)Oc1cc(C)ccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600729445 507087256 /nfs/dbraw/zinc/08/72/56/507087256.db2.gz HAZBHRFUYLFNOV-HKUYNNGSSA-N 0 3 360.498 3.333 20 30 FGEDHN CC1(C)CN(c2cncc(C#N)n2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000583987737 507087359 /nfs/dbraw/zinc/08/73/59/507087359.db2.gz MDXBNESFFACIQU-OAQYLSRUSA-N 0 3 361.493 3.475 20 30 FGEDHN CC(C)(C)OC(=O)C1CCC(O)(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000600735488 507090324 /nfs/dbraw/zinc/09/03/24/507090324.db2.gz JTQVUWWTBNJCQA-UHFFFAOYSA-N 0 3 362.445 3.050 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000594361042 507092776 /nfs/dbraw/zinc/09/27/76/507092776.db2.gz MWZWTSMMXQSYBZ-QRWLVFNGSA-N 0 3 353.441 3.295 20 30 FGEDHN COc1ccc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000591053743 507093414 /nfs/dbraw/zinc/09/34/14/507093414.db2.gz KLUSRUZNLCHMMA-KRWDZBQOSA-N 0 3 374.868 3.286 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594410892 507119275 /nfs/dbraw/zinc/11/92/75/507119275.db2.gz FJBNHGNSNVCKLZ-JYJNAYRXSA-N 0 3 354.372 3.375 20 30 FGEDHN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594429990 507128899 /nfs/dbraw/zinc/12/88/99/507128899.db2.gz YSZVIRAGIBHXTM-CRAIPNDOSA-N 0 3 373.501 3.149 20 30 FGEDHN COc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)c2ccc(F)cc2)cc1 ZINC000594431688 507129133 /nfs/dbraw/zinc/12/91/33/507129133.db2.gz PSJFWAODJMEZEE-PMACEKPBSA-N 0 3 369.440 3.451 20 30 FGEDHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594433656 507130708 /nfs/dbraw/zinc/13/07/08/507130708.db2.gz QEPJWVSJDCCZFJ-SFHVURJKSA-N 0 3 353.470 3.023 20 30 FGEDHN COc1cccc(CNC(=O)[C@@H](N)CCCCC#N)c1OC1CCCC1 ZINC000594434649 507131248 /nfs/dbraw/zinc/13/12/48/507131248.db2.gz QSIWKKGPJPPQBZ-KRWDZBQOSA-N 0 3 359.470 3.044 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000594453176 507140760 /nfs/dbraw/zinc/14/07/60/507140760.db2.gz LHDYLJMLFJSDGD-ZDUSSCGKSA-N 0 3 370.316 3.413 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC000594454004 507141007 /nfs/dbraw/zinc/14/10/07/507141007.db2.gz QZLDFCKIGLOVFA-QGZVFWFLSA-N 0 3 356.401 3.040 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000594457342 507142184 /nfs/dbraw/zinc/14/21/84/507142184.db2.gz YIHFQMLWIMKGMY-OAHLLOKOSA-N 0 3 371.378 3.404 20 30 FGEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000610224060 507146177 /nfs/dbraw/zinc/14/61/77/507146177.db2.gz HMOZXOITTIOVGD-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000597914366 507171410 /nfs/dbraw/zinc/17/14/10/507171410.db2.gz UXWGQAXEKLUFLL-RXVVDRJESA-N 0 3 353.510 3.482 20 30 FGEDHN Cc1nc2ccc(Br)cc2c(NC2CCN(CC#N)CC2)c1C ZINC000610277374 507173109 /nfs/dbraw/zinc/17/31/09/507173109.db2.gz YYQMHGKNRNPQFL-UHFFFAOYSA-N 0 3 373.298 3.436 20 30 FGEDHN CN(CCN1CCN(c2ccccc2)CC1)c1cc(C#N)nc2ccccc21 ZINC000610278687 507175182 /nfs/dbraw/zinc/17/51/82/507175182.db2.gz INHSWCGWONUMQT-UHFFFAOYSA-N 0 3 371.488 3.365 20 30 FGEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000597926049 507177313 /nfs/dbraw/zinc/17/73/13/507177313.db2.gz ZVEHOWPAZVBMAZ-QGZVFWFLSA-N 0 3 365.481 3.066 20 30 FGEDHN C[C@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351816 507207132 /nfs/dbraw/zinc/20/71/32/507207132.db2.gz GZXIHECQRQUVMW-IRXDYDNUSA-N 0 3 350.466 3.439 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3ccc(C#N)cn3)sc2c1)C1CC1 ZINC000598026863 507225029 /nfs/dbraw/zinc/22/50/29/507225029.db2.gz HMHBQVDDUNJJOT-UHFFFAOYSA-N 0 3 363.446 3.409 20 30 FGEDHN C[C@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCN(C2CC2)C1 ZINC000591406499 507238324 /nfs/dbraw/zinc/23/83/24/507238324.db2.gz KLAFRKYYVCSJKT-QRWLVFNGSA-N 0 3 352.482 3.061 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CNc1ccc(C#N)cc1 ZINC000610446380 507244197 /nfs/dbraw/zinc/24/41/97/507244197.db2.gz VSZHIACBPGASLZ-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1sccc1C#N ZINC000610451857 507245939 /nfs/dbraw/zinc/24/59/39/507245939.db2.gz LDVKZDDKULMXJD-INIZCTEOSA-N 0 3 368.506 3.155 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C12CCC2 ZINC000594717403 507252196 /nfs/dbraw/zinc/25/21/96/507252196.db2.gz KIYKNELEMPTTOG-OWCLPIDISA-N 0 3 373.522 3.441 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000591475749 507265333 /nfs/dbraw/zinc/26/53/33/507265333.db2.gz KDPSYGHFGRNMDY-CVEARBPZSA-N 0 3 356.388 3.157 20 30 FGEDHN C[C@H](Cn1ncc2ccccc2c1=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594940026 507323444 /nfs/dbraw/zinc/32/34/44/507323444.db2.gz XQTOMXDMCDAXFI-MRXNPFEDSA-N 0 3 358.445 3.130 20 30 FGEDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594964700 507335470 /nfs/dbraw/zinc/33/54/70/507335470.db2.gz MHUYQUFXYYRGHU-MVYHEMRASA-N 0 3 370.522 3.243 20 30 FGEDHN Cc1[nH]c2c(cc(C)cc2CNC[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000591728480 507341815 /nfs/dbraw/zinc/34/18/15/507341815.db2.gz JXZGVIXOQPQNTR-IBGZPJMESA-N 0 3 363.461 3.494 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000610676969 507343602 /nfs/dbraw/zinc/34/36/02/507343602.db2.gz KRLYUUUWYSLCEP-QUCCMNQESA-N 0 3 354.425 3.121 20 30 FGEDHN Cc1cc2ncn(C[C@H](O)CNCc3ccc(C#N)c(Cl)c3)c2cc1C ZINC000591765833 507352270 /nfs/dbraw/zinc/35/22/70/507352270.db2.gz KPZVIANCCMQYQX-QGZVFWFLSA-N 0 3 368.868 3.329 20 30 FGEDHN C=CC[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595030762 507360517 /nfs/dbraw/zinc/36/05/17/507360517.db2.gz AJWQTMPZVOOHPV-YOEHRIQHSA-N 0 3 352.456 3.093 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000598298017 507363341 /nfs/dbraw/zinc/36/33/41/507363341.db2.gz WWJAHSQEMSXBDU-CEXWTWQISA-N 0 3 365.477 3.483 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000598298018 507363374 /nfs/dbraw/zinc/36/33/74/507363374.db2.gz WWJAHSQEMSXBDU-GBESFXJTSA-N 0 3 365.477 3.483 20 30 FGEDHN CCCN1CC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000598341426 507384814 /nfs/dbraw/zinc/38/48/14/507384814.db2.gz BHPIOMSVGBHHBK-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN N#CCN1CCC(N[C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000610813005 507399286 /nfs/dbraw/zinc/39/92/86/507399286.db2.gz UVAGHZUBFUXISK-INIZCTEOSA-N 0 3 364.287 3.240 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000610831073 507407413 /nfs/dbraw/zinc/40/74/13/507407413.db2.gz NZFWTXSJTPEPAF-OAQYLSRUSA-N 0 3 366.509 3.004 20 30 FGEDHN CCOC(=O)c1ccc(-c2ccc(CNC3CCN(CC#N)CC3)o2)cc1 ZINC000614240173 507422419 /nfs/dbraw/zinc/42/24/19/507422419.db2.gz JBCSNKWYWLSMSB-UHFFFAOYSA-N 0 3 367.449 3.201 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](CC(F)(F)F)O1 ZINC000598506319 507463598 /nfs/dbraw/zinc/46/35/98/507463598.db2.gz DYDXUDFCMCBVEJ-FVQBIDKESA-N 0 3 354.372 3.327 20 30 FGEDHN N#Cc1ccc(CCN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000595360072 507471235 /nfs/dbraw/zinc/47/12/35/507471235.db2.gz XKHXGHQEKQPGNA-QGZVFWFLSA-N 0 3 368.868 3.500 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCC[C@@H]2CCOC2)CC1 ZINC000592066016 507473095 /nfs/dbraw/zinc/47/30/95/507473095.db2.gz CWLVRZLVLYVSOA-QGZVFWFLSA-N 0 3 350.466 3.045 20 30 FGEDHN C=CCN1CCC(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000592069448 507474722 /nfs/dbraw/zinc/47/47/22/507474722.db2.gz MYVJYHTVQKEYSS-UHFFFAOYSA-N 0 3 368.477 3.457 20 30 FGEDHN CC[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)N1 ZINC000598535516 507475286 /nfs/dbraw/zinc/47/52/86/507475286.db2.gz FDUMHLPAGYGXFL-OXJNMPFZSA-N 0 3 363.461 3.350 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000614403200 507498231 /nfs/dbraw/zinc/49/82/31/507498231.db2.gz KBVUPCJPWVKNCM-FQEVSTJZSA-N 0 3 351.494 3.481 20 30 FGEDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598596408 507512307 /nfs/dbraw/zinc/51/23/07/507512307.db2.gz PPYKITQPIAFOJD-MJGOQNOKSA-N 0 3 372.513 3.129 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611108189 507518243 /nfs/dbraw/zinc/51/82/43/507518243.db2.gz BQPHNZXAHKYZSY-MJGOQNOKSA-N 0 3 357.816 3.412 20 30 FGEDHN N#Cc1c(F)cccc1CNC1CCN(C(=O)c2ccccc2F)CC1 ZINC000602002121 507548477 /nfs/dbraw/zinc/54/84/77/507548477.db2.gz AYMOKCUVFZGWKO-UHFFFAOYSA-N 0 3 355.388 3.231 20 30 FGEDHN C=CCCCCCN(C)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000606902696 507549326 /nfs/dbraw/zinc/54/93/26/507549326.db2.gz RSOUKUJABNVXMN-UHFFFAOYSA-N 0 3 360.498 3.267 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000598718744 507566811 /nfs/dbraw/zinc/56/68/11/507566811.db2.gz CXWBFMKFHQBKKE-IBGZPJMESA-N 0 3 369.440 3.468 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000598723409 507567617 /nfs/dbraw/zinc/56/76/17/507567617.db2.gz HBQQLHCWOCSFME-IBGZPJMESA-N 0 3 369.440 3.468 20 30 FGEDHN N#Cc1ccc(-c2cc(N3CCN(CC[C@H]4CCCCO4)CC3)n[nH]2)cc1 ZINC000595732815 507653897 /nfs/dbraw/zinc/65/38/97/507653897.db2.gz KIOVFPWSZOUPJY-LJQANCHMSA-N 0 3 365.481 3.030 20 30 FGEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393162 507659214 /nfs/dbraw/zinc/65/92/14/507659214.db2.gz MBQZXKQXDZRLPP-YADHBBJMSA-N 0 3 372.472 3.364 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000586756924 507659918 /nfs/dbraw/zinc/65/99/18/507659918.db2.gz NPVLHEIFKFKALH-SFHVURJKSA-N 0 3 365.452 3.268 20 30 FGEDHN Cn1ccnc1[C@@H](NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1 ZINC000611410115 507669511 /nfs/dbraw/zinc/66/95/11/507669511.db2.gz IXNCVPVYLCVLQM-TVPLGVNVSA-N 0 3 351.454 3.118 20 30 FGEDHN N#Cc1ccc2ncc(CN(Cc3ccccc3)[C@@H](CO)C3CCC3)n2c1 ZINC000592520325 507691870 /nfs/dbraw/zinc/69/18/70/507691870.db2.gz LDUFYYSWYUNVQE-NRFANRHFSA-N 0 3 360.461 3.369 20 30 FGEDHN CCO[C@@H](C)c1nc(CN2CCN(C[C@@H](C)CCC#N)CC2)cs1 ZINC000602480778 507720999 /nfs/dbraw/zinc/72/09/99/507720999.db2.gz BVBBQLNPEAZODP-HOTGVXAUSA-N 0 3 350.532 3.298 20 30 FGEDHN N#CC(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc2ccccc2n1 ZINC000611521777 507721774 /nfs/dbraw/zinc/72/17/74/507721774.db2.gz AWVRZYXHENOVTF-CYBMUJFWSA-N 0 3 361.313 3.362 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000602488639 507724563 /nfs/dbraw/zinc/72/45/63/507724563.db2.gz WXOVMQJWHOCBED-QGZVFWFLSA-N 0 3 357.498 3.154 20 30 FGEDHN COc1ccc([C@H](CNCc2cccc(C#N)n2)N2CCCCC2)cc1 ZINC000602500255 507729568 /nfs/dbraw/zinc/72/95/68/507729568.db2.gz XTQGWMKEXNAVNQ-NRFANRHFSA-N 0 3 350.466 3.279 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000602535397 507739873 /nfs/dbraw/zinc/73/98/73/507739873.db2.gz ZZGKYWTZANQUHZ-QQNRWZHASA-N 0 3 364.287 3.380 20 30 FGEDHN COC1(c2noc(CC3CCN([C@H]4CC[C@H](C#N)C4)CC3)n2)CCCC1 ZINC000595914122 507740787 /nfs/dbraw/zinc/74/07/87/507740787.db2.gz AZFTUSIDSDJJHV-IRXDYDNUSA-N 0 3 358.486 3.432 20 30 FGEDHN N#CCCCC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737688057 598729226 /nfs/dbraw/zinc/72/92/26/598729226.db2.gz OYFQWATVUGXYRR-UHFFFAOYSA-N 0 3 362.437 3.229 20 30 FGEDHN N#CCCCC[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737688057 598729228 /nfs/dbraw/zinc/72/92/28/598729228.db2.gz OYFQWATVUGXYRR-UHFFFAOYSA-N 0 3 362.437 3.229 20 30 FGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823888441 608287367 /nfs/dbraw/zinc/28/73/67/608287367.db2.gz MMHNDOYYOQMFME-HOBHPSKFSA-N 0 3 356.474 3.142 20 30 FGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823888441 608287368 /nfs/dbraw/zinc/28/73/68/608287368.db2.gz MMHNDOYYOQMFME-HOBHPSKFSA-N 0 3 356.474 3.142 20 30 FGEDHN C=CCCC[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894648 608401806 /nfs/dbraw/zinc/40/18/06/608401806.db2.gz VMOQECTWYJSSQI-HNNXBMFYSA-N 0 3 368.485 3.262 20 30 FGEDHN C=CCCC[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823894648 608401808 /nfs/dbraw/zinc/40/18/08/608401808.db2.gz VMOQECTWYJSSQI-HNNXBMFYSA-N 0 3 368.485 3.262 20 30 FGEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCc3noc(C)n3)cc2)n1 ZINC000041517525 695762880 /nfs/dbraw/zinc/76/28/80/695762880.db2.gz GOXGSBHFCPZCAY-CQSZACIVSA-N 0 3 354.391 3.212 20 30 FGEDHN C=CCc1cc(OCC)cc(CN2CCC(O)(C(F)(F)F)CC2)c1O ZINC000089651754 700393379 /nfs/dbraw/zinc/39/33/79/700393379.db2.gz XGOYVXQUNDNKFQ-UHFFFAOYSA-N 0 3 359.388 3.409 20 30 FGEDHN C[C@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000120269893 700651820 /nfs/dbraw/zinc/65/18/20/700651820.db2.gz PSALWBWOBAAMSH-XPTSAGLGSA-N 0 3 355.221 3.456 20 30 FGEDHN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124846536 700725939 /nfs/dbraw/zinc/72/59/39/700725939.db2.gz MQHXXDSJBXKYCD-PWSUYJOCSA-N 0 3 355.221 3.092 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNC[C@](C)(O)c1ccco1 ZINC000174526677 705507004 /nfs/dbraw/zinc/50/70/04/705507004.db2.gz GVTZUGSMSCXRML-KRWDZBQOSA-N 0 3 364.239 3.051 20 30 FGEDHN CCO[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000249725281 713669473 /nfs/dbraw/zinc/66/94/73/713669473.db2.gz PKDCXZHPGZLMOP-RWMBFGLXSA-N 0 3 354.378 3.074 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@H](COC)[C@@H]2CCCO2)cc1OC ZINC000623510100 715351223 /nfs/dbraw/zinc/35/12/23/715351223.db2.gz GXZKSNAOYIPPTH-CVEARBPZSA-N 0 3 355.862 3.197 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H](COC)[C@H]2CCCO2)cc1OC ZINC000623510103 715351344 /nfs/dbraw/zinc/35/13/44/715351344.db2.gz GXZKSNAOYIPPTH-JKSUJKDBSA-N 0 3 355.862 3.197 20 30 FGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)sc2nccn12 ZINC000780306240 724457281 /nfs/dbraw/zinc/45/72/81/724457281.db2.gz SPNISDSUIWHQET-JTQLQIEISA-N 0 3 358.810 3.319 20 30 FGEDHN C=CCSc1ccccc1NC(=O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640860430 717821541 /nfs/dbraw/zinc/82/15/41/717821541.db2.gz LFHKBVIHBUIYDU-QGZVFWFLSA-N 0 3 359.499 3.241 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC[C@H](C)OC ZINC000782581792 724684174 /nfs/dbraw/zinc/68/41/74/724684174.db2.gz QPVALMYTECAOEG-RYUDHWBXSA-N 0 3 352.818 3.120 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CCC1=O ZINC000783352940 724748617 /nfs/dbraw/zinc/74/86/17/724748617.db2.gz NEORULRVVUIECK-CKYFFXLPSA-N 0 3 350.777 3.132 20 30 FGEDHN N#Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899272 721508037 /nfs/dbraw/zinc/50/80/37/721508037.db2.gz KTDBLMZXNXDJGP-DOTOQJQBSA-N 0 3 372.831 3.088 20 30 FGEDHN CCCC(=O)NCC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000729891410 722463372 /nfs/dbraw/zinc/46/33/72/722463372.db2.gz IAQIAOYDBZINJH-SNVBAGLBSA-N 0 3 369.368 3.408 20 30 FGEDHN C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417593 722468282 /nfs/dbraw/zinc/46/82/82/722468282.db2.gz QMTITBHWQBERFC-CABZTGNLSA-N 0 3 357.366 3.023 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000730436946 722468511 /nfs/dbraw/zinc/46/85/11/722468511.db2.gz TYLYLUQYUIVSLS-UHFFFAOYSA-N 0 3 373.913 3.367 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000750687882 722777640 /nfs/dbraw/zinc/77/76/40/722777640.db2.gz QEWKAJRPZYIKHX-LKFCYVNXSA-N 0 3 365.220 3.178 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(Cl)cs2)cc1OC ZINC000759432769 723004444 /nfs/dbraw/zinc/00/44/44/723004444.db2.gz ZLLZTJHYSLAOCN-LLVKDONJSA-N 0 3 364.810 3.380 20 30 FGEDHN CON(C)C(=O)[C@H](CCSC)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795806444 723610304 /nfs/dbraw/zinc/61/03/04/723610304.db2.gz WKYOSQAPVSAIMQ-MSOLQXFVSA-N 0 3 361.511 3.057 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000769400589 723684476 /nfs/dbraw/zinc/68/44/76/723684476.db2.gz VMNFACZLBBJRGT-UHFFFAOYSA-N 0 3 374.282 3.495 20 30 FGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCc1nc(C)cs1)c1ccccc1 ZINC000774260880 723875686 /nfs/dbraw/zinc/87/56/86/723875686.db2.gz SAPDJHOECJFHCH-HOTGVXAUSA-N 0 3 355.463 3.361 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000797878374 723877350 /nfs/dbraw/zinc/87/73/50/723877350.db2.gz UVLXBNGAHZNFLM-ZBEGNZNMSA-N 0 3 356.260 3.234 20 30 FGEDHN COc1cc(CNC[C@H](O)c2ccccc2C(F)(F)F)ccc1C#N ZINC000799335327 724013193 /nfs/dbraw/zinc/01/31/93/724013193.db2.gz YIBQGKNHEXETIY-INIZCTEOSA-N 0 3 350.340 3.409 20 30 FGEDHN CN1C(=O)CC[C@H]1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000784833517 724880126 /nfs/dbraw/zinc/88/01/26/724880126.db2.gz MSOLXCZRYBFOIJ-OCCSQVGLSA-N 0 3 359.838 3.261 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn(CCF)c1 ZINC000808978695 725221797 /nfs/dbraw/zinc/22/17/97/725221797.db2.gz ADGZZZYSDQNQSB-NSHDSACASA-N 0 3 369.183 3.121 20 30 FGEDHN N#CC(C(=O)Cn1cc(Cl)cn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000808980189 725222059 /nfs/dbraw/zinc/22/20/59/725222059.db2.gz WCKQADFVJXVFAD-GFCCVEGCSA-N 0 3 371.611 3.191 20 30 FGEDHN C#C[C@H](NCc1ccc(Br)cc1N1CCOCC1)C(C)C ZINC000809685785 725258628 /nfs/dbraw/zinc/25/86/28/725258628.db2.gz QQMWMBYIICZEJT-INIZCTEOSA-N 0 3 351.288 3.033 20 30 FGEDHN COc1ccccc1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214051 726851261 /nfs/dbraw/zinc/85/12/61/726851261.db2.gz OLTQUXLREIYPRY-LBPRGKRZSA-N 0 3 350.296 3.364 20 30 FGEDHN COc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813217923 726851588 /nfs/dbraw/zinc/85/15/88/726851588.db2.gz QKRCUBNUJWDFIF-AWEZNQCLSA-N 0 3 350.296 3.364 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCN(CC)CC2)s1 ZINC000819257452 727361985 /nfs/dbraw/zinc/36/19/85/727361985.db2.gz CTKVGAMXZGAWFL-UHFFFAOYSA-N 0 3 373.975 3.393 20 30 FGEDHN COc1ccccc1N1CC[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000876998625 736173417 /nfs/dbraw/zinc/17/34/17/736173417.db2.gz LCUXDSYTXMBLJF-CQSZACIVSA-N 0 3 356.857 3.231 20 30 FGEDHN C#CCCN(CCOC)Cc1cc(Br)c(O)c(OCC)c1 ZINC000827827786 729435681 /nfs/dbraw/zinc/43/56/81/729435681.db2.gz YHXBFQJEKLPXEJ-UHFFFAOYSA-N 0 3 356.260 3.025 20 30 FGEDHN CO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1(C)C ZINC000831547766 729650150 /nfs/dbraw/zinc/65/01/50/729650150.db2.gz VWKSTFUMOLSZHF-CXAGYDPISA-N 0 3 357.479 3.219 20 30 FGEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000835062555 729854399 /nfs/dbraw/zinc/85/43/99/729854399.db2.gz CYTQPXPBYTWAEC-FZMZJTMJSA-N 0 3 352.818 3.120 20 30 FGEDHN COC[C@@]1(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)CCOC1 ZINC000835067492 729855177 /nfs/dbraw/zinc/85/51/77/729855177.db2.gz HIGRUMBMSMHDLG-BEFAXECRSA-N 0 3 356.447 3.348 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000836488057 729957522 /nfs/dbraw/zinc/95/75/22/729957522.db2.gz FJEMLGKTDCQDOV-OAHLLOKOSA-N 0 3 359.367 3.074 20 30 FGEDHN CSc1ccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)[NH+](C)C)cc1 ZINC000840706956 730164615 /nfs/dbraw/zinc/16/46/15/730164615.db2.gz QFKZULBZKKFGSW-SVYXSEEQSA-N 0 3 359.495 3.032 20 30 FGEDHN C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@@H](C)CN1 ZINC000841831567 730279820 /nfs/dbraw/zinc/27/98/20/730279820.db2.gz WLSPXFJSXDZVSZ-KGLIPLIRSA-N 0 3 354.479 3.179 20 30 FGEDHN CCn1ccc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000842684838 730530446 /nfs/dbraw/zinc/53/04/46/730530446.db2.gz PCHSUCWFSRMNLV-GFCCVEGCSA-N 0 3 364.377 3.179 20 30 FGEDHN N#CC(C(=O)c1ccc(N2CCOCC2)cc1)c1nc(C2CC2)cs1 ZINC000842940354 730560210 /nfs/dbraw/zinc/56/02/10/730560210.db2.gz BWQFDWLKNVINBS-MRXNPFEDSA-N 0 3 353.447 3.347 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)CC1 ZINC000843685385 730643585 /nfs/dbraw/zinc/64/35/85/730643585.db2.gz OSXWAFRPPABPSD-UHFFFAOYSA-N 0 3 351.328 3.130 20 30 FGEDHN Cc1nscc1C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847747412 731086733 /nfs/dbraw/zinc/08/67/33/731086733.db2.gz HDBLIFKCSSXOMN-UHFFFAOYSA-N 0 3 355.463 3.414 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848572573 731184069 /nfs/dbraw/zinc/18/40/69/731184069.db2.gz ZSKZHQRRNKOIEK-SUMWQHHRSA-N 0 3 350.846 3.452 20 30 FGEDHN C=CCN(C(=S)NC1CCN(Cc2ccccc2)CC1)[C@@H](C)COC ZINC000849277213 731240853 /nfs/dbraw/zinc/24/08/53/731240853.db2.gz RUXAKBDCTMMQEF-KRWDZBQOSA-N 0 3 361.555 3.048 20 30 FGEDHN N#CC(C(=O)CCCc1cccnc1)C(=O)NCc1cccc(Cl)c1 ZINC000850976323 731408315 /nfs/dbraw/zinc/40/83/15/731408315.db2.gz AHJIWIFWOBCQIU-QGZVFWFLSA-N 0 3 355.825 3.083 20 30 FGEDHN C=C(Br)CN1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856598205 732041032 /nfs/dbraw/zinc/04/10/32/732041032.db2.gz GJNKUPFBDNAPBI-QGZVFWFLSA-N 0 3 368.319 3.284 20 30 FGEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000858296313 732201316 /nfs/dbraw/zinc/20/13/16/732201316.db2.gz SIKHMYOETNHIBX-DOTOQJQBSA-N 0 3 350.256 3.118 20 30 FGEDHN C#CC[C@H](COC)NCc1cn(-c2ccccc2Br)nc1C ZINC000858335484 732204780 /nfs/dbraw/zinc/20/47/80/732204780.db2.gz ZNEBLUZUTNLMIJ-OAHLLOKOSA-N 0 3 362.271 3.071 20 30 FGEDHN C=CCOc1c(Cl)cc(CNc2cc3n(n2)CCN(C)C3)cc1OC ZINC000865845539 733280676 /nfs/dbraw/zinc/28/06/76/733280676.db2.gz CLGXYAGYWPWJFZ-UHFFFAOYSA-N 0 3 362.861 3.167 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000870135822 733815288 /nfs/dbraw/zinc/81/52/88/733815288.db2.gz FEBPZOCKAGCFJS-YVECIDJPSA-N 0 3 364.829 3.118 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872314932 735615081 /nfs/dbraw/zinc/61/50/81/735615081.db2.gz IPEHDMJLSVHNBU-BJZITVGISA-N 0 3 359.495 3.178 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000876618607 736122582 /nfs/dbraw/zinc/12/25/82/736122582.db2.gz ZWCKGGGOJPIUQJ-ZWNOBZJWSA-N 0 3 350.768 3.275 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000876898871 736160238 /nfs/dbraw/zinc/16/02/38/736160238.db2.gz XCAKRLMYJDZGLU-ZIAGYGMSSA-N 0 3 362.779 3.075 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(Cl)ccc1Br ZINC000876933919 736164616 /nfs/dbraw/zinc/16/46/16/736164616.db2.gz BGQFRMURIGXMBY-LLVKDONJSA-N 0 3 352.059 3.189 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000876995994 736172784 /nfs/dbraw/zinc/17/27/84/736172784.db2.gz ZFHYDDYDVRVPJC-CYBMUJFWSA-N 0 3 364.877 3.343 20 30 FGEDHN C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)[C@H](N)CCCC#N ZINC000877256354 736201670 /nfs/dbraw/zinc/20/16/70/736201670.db2.gz SYJRVWHUIHTISF-AEFFLSMTSA-N 0 3 351.853 3.424 20 30 FGEDHN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1cc(C#N)cnc1Cl ZINC000877603989 736691669 /nfs/dbraw/zinc/69/16/69/736691669.db2.gz VKBGZWYPAGWYFQ-RYUDHWBXSA-N 0 3 352.866 3.388 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC000880027743 737102844 /nfs/dbraw/zinc/10/28/44/737102844.db2.gz WWKZHVPGVSMABK-DGAVXFQQSA-N 0 3 361.408 3.314 20 30 FGEDHN CC(C)c1nc2ccc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)cc2s1 ZINC000884106194 737633932 /nfs/dbraw/zinc/63/39/32/737633932.db2.gz JUANTGORLCWBEJ-MLZJXEJWSA-N 0 3 354.479 3.498 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N1CC=C(c3ccc(Cl)cc3)CC1)C2 ZINC000884380901 737659528 /nfs/dbraw/zinc/65/95/28/737659528.db2.gz PGRARIJDHDNPGW-GNZRSQJKSA-N 0 3 355.869 3.095 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCOc3c(Br)cccc32)CCC1 ZINC000886190402 739227448 /nfs/dbraw/zinc/22/74/48/739227448.db2.gz PKEDUMPZNWGLEM-DOMZBBRYSA-N 0 3 365.271 3.307 20 30 FGEDHN C#CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)C1CCN(C)CC1 ZINC000886583211 739272485 /nfs/dbraw/zinc/27/24/85/739272485.db2.gz GPHNVKOYEMVSMQ-UHFFFAOYSA-N 0 3 357.479 3.190 20 30 FGEDHN CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000891544530 739913972 /nfs/dbraw/zinc/91/39/72/739913972.db2.gz WSQPJALWSAKNOE-QGZVFWFLSA-N 0 3 354.479 3.036 20 30 FGEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000892491067 740006081 /nfs/dbraw/zinc/00/60/81/740006081.db2.gz CUNNMOOTDJEMRZ-HNNXBMFYSA-N 0 3 359.495 3.419 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CC(C)(C)CO2)cc1Cl ZINC000892498458 740007324 /nfs/dbraw/zinc/00/73/24/740007324.db2.gz JDPBUBQCNPWHFL-OLZOCXBDSA-N 0 3 364.829 3.201 20 30 FGEDHN C=C(CCN(C)C)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000908397191 744286366 /nfs/dbraw/zinc/28/63/66/744286366.db2.gz LJYRULNZDOAXLT-UHFFFAOYSA-N 0 3 364.511 3.239 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccsc2)CC1(C)C ZINC000941093285 762175885 /nfs/dbraw/zinc/17/58/85/762175885.db2.gz MFBYJBGARAEJJK-KSZLIROESA-N 0 3 362.539 3.446 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000948385914 762327259 /nfs/dbraw/zinc/32/72/59/762327259.db2.gz RFEJGJUELZNSTE-OAGGEKHMSA-N 0 3 362.436 3.233 20 30 FGEDHN N#Cc1ccc(Br)c(CNCC2(O)CCC(F)(F)CC2)c1 ZINC000922262598 758881595 /nfs/dbraw/zinc/88/15/95/758881595.db2.gz JHFGTEMHSSWIHC-UHFFFAOYSA-N 0 3 359.214 3.351 20 30 FGEDHN CC(C)(O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945083 761282667 /nfs/dbraw/zinc/28/26/67/761282667.db2.gz QWPPDZVSFQBKAS-HTQZYQBOSA-N 0 3 355.269 3.250 20 30 FGEDHN CN(Cc1cc(C#N)cs1)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000933770777 761470034 /nfs/dbraw/zinc/47/00/34/761470034.db2.gz SJUSDDHPIMAIHG-UHFFFAOYSA-N 0 3 364.511 3.315 20 30 FGEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C[C@]2(C)C1 ZINC000982629901 763588649 /nfs/dbraw/zinc/58/86/49/763588649.db2.gz GRKZJZSDTTWXPJ-DGQTTZFYSA-N 0 3 356.535 3.354 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC000990734992 764559586 /nfs/dbraw/zinc/55/95/86/764559586.db2.gz BOJMPXSDLZVYCI-JYYAWHABSA-N 0 3 360.420 3.033 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC000999192229 765144698 /nfs/dbraw/zinc/14/46/98/765144698.db2.gz FWYKEYZLIQRSRN-LZWOXQAQSA-N 0 3 368.930 3.463 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(Cc2cc(C)sc2C)CC1 ZINC001002847386 765347280 /nfs/dbraw/zinc/34/72/80/765347280.db2.gz SHSSWSJYGRQFHU-MOPGFXCFSA-N 0 3 362.539 3.427 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)c2Cl)C1 ZINC001022736906 766020171 /nfs/dbraw/zinc/02/01/71/766020171.db2.gz JGLUEPDEDPCUFE-CTASWTNQSA-N 0 3 369.292 3.321 20 30 FGEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001028545412 766121986 /nfs/dbraw/zinc/12/19/86/766121986.db2.gz PRPAVIYNDBJEQJ-VMAZRHSESA-N 0 3 356.432 3.063 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001028863867 766140500 /nfs/dbraw/zinc/14/05/00/766140500.db2.gz FPGQHLSPSFXHGW-WDSOQIARSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033086984 766204548 /nfs/dbraw/zinc/20/45/48/766204548.db2.gz NPPBDMHMUASJSP-OTWHNJEPSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001035057039 766254321 /nfs/dbraw/zinc/25/43/21/766254321.db2.gz KNXOBHWUIFWXGO-NFAWXSAZSA-N 0 3 354.903 3.073 20 30 FGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1 ZINC001039145453 766292732 /nfs/dbraw/zinc/29/27/32/766292732.db2.gz BHQVQUJDBUYVPN-KSZLIROESA-N 0 3 354.922 3.115 20 30 FGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC001040261770 766301941 /nfs/dbraw/zinc/30/19/41/766301941.db2.gz AJIBLKONYHBMIF-NUJGCVRESA-N 0 3 354.416 3.079 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cccc(Cl)c2)CC1 ZINC001052723087 766916093 /nfs/dbraw/zinc/91/60/93/766916093.db2.gz PNTPAVWEJPSGSQ-QRVBRYPASA-N 0 3 362.901 3.402 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@H]2OCC)cc1OC ZINC000568171027 505633209 /nfs/dbraw/zinc/63/32/09/505633209.db2.gz MKIBPLABTFTIKP-UONOGXRCSA-N 0 3 356.260 3.290 20 30 FGEDHN N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000057554201 493772691 /nfs/dbraw/zinc/77/26/91/493772691.db2.gz PXUGXAPZABGXGA-LJQANCHMSA-N 0 3 361.445 3.104 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000028917780 493807114 /nfs/dbraw/zinc/80/71/14/493807114.db2.gz KACYCAIWNUKWNV-HRAATJIYSA-N 0 3 368.477 3.464 20 30 FGEDHN COc1cc(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)ccc1C#N ZINC000568385243 505681876 /nfs/dbraw/zinc/68/18/76/505681876.db2.gz WBYDLMFEGPITAF-PZJWPPBQSA-N 0 3 366.461 3.112 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000081124521 493836145 /nfs/dbraw/zinc/83/61/45/493836145.db2.gz LHNMVYKYJDTINT-IBGZPJMESA-N 0 3 365.502 3.383 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000058452136 493855198 /nfs/dbraw/zinc/85/51/98/493855198.db2.gz GVDNDZNFFFHSSV-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000030231816 493880974 /nfs/dbraw/zinc/88/09/74/493880974.db2.gz XJGFSPPKIUVOAG-XLIONFOSSA-N 0 3 363.461 3.279 20 30 FGEDHN C[C@@H]1CCCN(Cc2ccccc2CNS(=O)(=O)CCCCC#N)C1 ZINC000068880777 493887532 /nfs/dbraw/zinc/88/75/32/493887532.db2.gz VJQVARANTYTUBW-QGZVFWFLSA-N 0 3 363.527 3.032 20 30 FGEDHN CC(C)C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)N(C)C ZINC000076484164 493902804 /nfs/dbraw/zinc/90/28/04/493902804.db2.gz GJTSZJPBGCEBSQ-KRWDZBQOSA-N 0 3 369.465 3.436 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3csc([N+](=O)[O-])c3)C2)c(F)c1 ZINC000068991088 493903246 /nfs/dbraw/zinc/90/32/46/493903246.db2.gz GPTWIIKUHAEMBZ-CQSZACIVSA-N 0 3 360.414 3.426 20 30 FGEDHN Cn1c(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc2ccccc21 ZINC000068991602 493903267 /nfs/dbraw/zinc/90/32/67/493903267.db2.gz HRANSURWYCTKIL-INIZCTEOSA-N 0 3 363.440 3.343 20 30 FGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081533051 493911298 /nfs/dbraw/zinc/91/12/98/493911298.db2.gz IJOKYHZJNVVGJK-PXNSSMCTSA-N 0 3 362.477 3.092 20 30 FGEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C1CC1)C1CC1 ZINC000050988898 493940371 /nfs/dbraw/zinc/94/03/71/493940371.db2.gz ZRRXSTQRTNQFGB-UHFFFAOYSA-N 0 3 364.411 3.294 20 30 FGEDHN Cc1c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000051180998 493953206 /nfs/dbraw/zinc/95/32/06/493953206.db2.gz URGAMNKSYWQVRD-UHFFFAOYSA-N 0 3 364.449 3.483 20 30 FGEDHN N#CC(C(=O)c1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2 ZINC000060851488 493956812 /nfs/dbraw/zinc/95/68/12/493956812.db2.gz KINKWKDZASNSOB-CYBMUJFWSA-N 0 3 364.327 3.393 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000062379274 494011394 /nfs/dbraw/zinc/01/13/94/494011394.db2.gz GMKXKKCFAWUJTR-UHFFFAOYSA-N 0 3 354.429 3.487 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNc1ccccc1Cl ZINC000063646646 494073618 /nfs/dbraw/zinc/07/36/18/494073618.db2.gz PAYVLTFPOVFYII-UHFFFAOYSA-N 0 3 370.884 3.214 20 30 FGEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000085389058 494119716 /nfs/dbraw/zinc/11/97/16/494119716.db2.gz DROVVZOCWWAMAT-YOEHRIQHSA-N 0 3 367.415 3.039 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000053398800 494125414 /nfs/dbraw/zinc/12/54/14/494125414.db2.gz JLXBXFPXFWDRJM-RXVVDRJESA-N 0 3 352.434 3.144 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(Oc2ccccc2)CC1 ZINC000064793715 494149009 /nfs/dbraw/zinc/14/90/09/494149009.db2.gz TYALULOBKWUQPU-UHFFFAOYSA-N 0 3 355.463 3.492 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000571307564 505703618 /nfs/dbraw/zinc/70/36/18/505703618.db2.gz FJYLGQBUDRTFLV-SFHVURJKSA-N 0 3 357.841 3.254 20 30 FGEDHN N#CC(C(=O)c1cccc(Br)c1)c1nnc2n1CCCCC2 ZINC000072678671 494231390 /nfs/dbraw/zinc/23/13/90/494231390.db2.gz HKBRXKFTMGPWGV-ZDUSSCGKSA-N 0 3 359.227 3.257 20 30 FGEDHN COc1cc(CN(C)CC[C@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000072712952 494237490 /nfs/dbraw/zinc/23/74/90/494237490.db2.gz GIEZHPFHOQYQBV-INIZCTEOSA-N 0 3 354.450 3.349 20 30 FGEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)N(CCC#N)CCC#N)cc1 ZINC000072761368 494246578 /nfs/dbraw/zinc/24/65/78/494246578.db2.gz IPIHHSYDWWWMGQ-PMACEKPBSA-N 0 3 352.482 3.219 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cl)c1 ZINC000042932462 494253563 /nfs/dbraw/zinc/25/35/63/494253563.db2.gz SIKKBTXOEMFYCD-UHFFFAOYSA-N 0 3 370.884 3.485 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000074130246 494486022 /nfs/dbraw/zinc/48/60/22/494486022.db2.gz QRYLVSFTALCGJP-UHFFFAOYSA-N 0 3 368.481 3.490 20 30 FGEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000577430091 505724902 /nfs/dbraw/zinc/72/49/02/505724902.db2.gz ZQLUOWILAMLXTK-UONOGXRCSA-N 0 3 360.401 3.022 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000079803820 494528023 /nfs/dbraw/zinc/52/80/23/494528023.db2.gz SEOIKIRMEJJIGF-UHFFFAOYSA-N 0 3 369.494 3.408 20 30 FGEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000046529394 494536423 /nfs/dbraw/zinc/53/64/23/494536423.db2.gz OPOAPWJZAIKPDN-UHFFFAOYSA-N 0 3 352.394 3.236 20 30 FGEDHN COC(=O)c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022850409 494539120 /nfs/dbraw/zinc/53/91/20/494539120.db2.gz KBDBONBOIVZSFA-UHFFFAOYSA-N 0 3 363.461 3.053 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000080079282 494589420 /nfs/dbraw/zinc/58/94/20/494589420.db2.gz OIPPOTJCZGUPQD-UHFFFAOYSA-N 0 3 354.292 3.212 20 30 FGEDHN Cc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000568592454 505730391 /nfs/dbraw/zinc/73/03/91/505730391.db2.gz YUXHSCWNDCSIOM-KLHJMIIUSA-N 0 3 363.465 3.127 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2ncsc2c1 ZINC000047010752 494616185 /nfs/dbraw/zinc/61/61/85/494616185.db2.gz YTPVJFVMZDVJFU-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000047011640 494616919 /nfs/dbraw/zinc/61/69/19/494616919.db2.gz WEBORGQAQHQQNH-RTWAWAEBSA-N 0 3 365.452 3.391 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000115791890 494623892 /nfs/dbraw/zinc/62/38/92/494623892.db2.gz DRDSXDMKEYCHOW-MRXNPFEDSA-N 0 3 367.415 3.040 20 30 FGEDHN N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000115901676 494660552 /nfs/dbraw/zinc/66/05/52/494660552.db2.gz WAGBGODBJPTRNK-AWEZNQCLSA-N 0 3 357.295 3.171 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2cncn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000115901676 494660558 /nfs/dbraw/zinc/66/05/58/494660558.db2.gz WAGBGODBJPTRNK-AWEZNQCLSA-N 0 3 357.295 3.171 20 30 FGEDHN O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057173184 494667268 /nfs/dbraw/zinc/66/72/68/494667268.db2.gz YNXTZOVOKQCJHI-INIZCTEOSA-N 0 3 362.437 3.367 20 30 FGEDHN O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057173184 494667274 /nfs/dbraw/zinc/66/72/74/494667274.db2.gz YNXTZOVOKQCJHI-INIZCTEOSA-N 0 3 362.437 3.367 20 30 FGEDHN O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057173184 494667282 /nfs/dbraw/zinc/66/72/82/494667282.db2.gz YNXTZOVOKQCJHI-INIZCTEOSA-N 0 3 362.437 3.367 20 30 FGEDHN O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057173184 494667291 /nfs/dbraw/zinc/66/72/91/494667291.db2.gz YNXTZOVOKQCJHI-INIZCTEOSA-N 0 3 362.437 3.367 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CC1 ZINC000067859196 494668917 /nfs/dbraw/zinc/66/89/17/494668917.db2.gz ZCPURCTXHQFIPF-UHFFFAOYSA-N 0 3 357.454 3.175 20 30 FGEDHN COc1ccc([C@@H](CNc2snc(Cl)c2C#N)N(C)C)cc1OC ZINC000092582677 494675047 /nfs/dbraw/zinc/67/50/47/494675047.db2.gz QRAVQWOJDGUYNN-GFCCVEGCSA-N 0 3 366.874 3.400 20 30 FGEDHN CC(C)CN1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000108357206 494688824 /nfs/dbraw/zinc/68/88/24/494688824.db2.gz AFIOPLIFHVCUHS-QGZVFWFLSA-N 0 3 374.554 3.150 20 30 FGEDHN CC(C)CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000126333008 494713909 /nfs/dbraw/zinc/71/39/09/494713909.db2.gz UFAOORFPRLTHCC-UHFFFAOYSA-N 0 3 354.401 3.211 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3sccc3C#N)cc2)CC1 ZINC000116172101 494723590 /nfs/dbraw/zinc/72/35/90/494723590.db2.gz STECGWMUTJTMBT-UHFFFAOYSA-N 0 3 354.479 3.402 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000574288001 505739101 /nfs/dbraw/zinc/73/91/01/505739101.db2.gz WVGQILROIGGWAL-OAQYLSRUSA-N 0 3 359.473 3.444 20 30 FGEDHN CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080664316 494760296 /nfs/dbraw/zinc/76/02/96/494760296.db2.gz UGEIXFVJXXWUFK-NRFANRHFSA-N 0 3 362.477 3.364 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000092144854 494799421 /nfs/dbraw/zinc/79/94/21/494799421.db2.gz QPIPZTBJORXNEX-SFHVURJKSA-N 0 3 369.509 3.448 20 30 FGEDHN C=CCOc1ccc(CN2CCC(OC3CCOCC3)CC2)cc1OC ZINC000093140680 494833288 /nfs/dbraw/zinc/83/32/88/494833288.db2.gz GFVAOXKHPSIFED-UHFFFAOYSA-N 0 3 361.482 3.420 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)cc2)CC1 ZINC000116804697 494854919 /nfs/dbraw/zinc/85/49/19/494854919.db2.gz MOJMATLFAAZENJ-PGRDOPGGSA-N 0 3 368.525 3.419 20 30 FGEDHN C=CC[C@H](C)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000116907807 494869492 /nfs/dbraw/zinc/86/94/92/494869492.db2.gz ISZADNWUZHDWFU-YWZLYKJASA-N 0 3 352.434 3.327 20 30 FGEDHN C=CCOc1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1OC ZINC000093532176 494898688 /nfs/dbraw/zinc/89/86/88/494898688.db2.gz SVEHGPMHNVHCHW-UHFFFAOYSA-N 0 3 372.509 3.485 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093611342 494904034 /nfs/dbraw/zinc/90/40/34/494904034.db2.gz PIERLYZQNITXAE-GOSISDBHSA-N 0 3 359.477 3.302 20 30 FGEDHN CCCCNC(=O)C1(NCCC(=O)Nc2ccc(C#N)cc2)CCCCC1 ZINC000132805933 494927196 /nfs/dbraw/zinc/92/71/96/494927196.db2.gz VHWWYXCKGYPMJN-UHFFFAOYSA-N 0 3 370.497 3.096 20 30 FGEDHN CSCC[C@H](CO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000133186723 494981620 /nfs/dbraw/zinc/98/16/20/494981620.db2.gz UFURFCBVWFJXFK-LJQANCHMSA-N 0 3 356.491 3.341 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCC[C@H](N3CCCC3)C2)c2ccccc21 ZINC000118829190 495043722 /nfs/dbraw/zinc/04/37/22/495043722.db2.gz VUYUETOYNQTMJX-SFHVURJKSA-N 0 3 364.493 3.298 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000133698625 495048696 /nfs/dbraw/zinc/04/86/96/495048696.db2.gz NABJMLXFBFDODV-CZUORRHYSA-N 0 3 362.376 3.250 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000577593906 505761164 /nfs/dbraw/zinc/76/11/64/505761164.db2.gz AQJGHYAPOJJYMY-HBFSDRIKSA-N 0 3 352.482 3.204 20 30 FGEDHN O=C(c1ccccc1)C(C(=S)[N-]C[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134216434 495122500 /nfs/dbraw/zinc/12/25/00/495122500.db2.gz NGAGUUKZUVPFNS-KRWDZBQOSA-O 0 3 355.483 3.072 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3coc(-c4ccc(F)cc4)n3)n2c1 ZINC000123649717 495166523 /nfs/dbraw/zinc/16/65/23/495166523.db2.gz UQOCFJYPYLSDBS-UHFFFAOYSA-N 0 3 361.380 3.332 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000134551873 495167026 /nfs/dbraw/zinc/16/70/26/495167026.db2.gz LZTKUYNTHIYDLK-LJQANCHMSA-N 0 3 355.482 3.250 20 30 FGEDHN C[C@@H](N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)CCC#N ZINC000112532453 495202211 /nfs/dbraw/zinc/20/22/11/495202211.db2.gz VQGXKQMWKKVYOV-DLBZAZTESA-N 0 3 366.465 3.072 20 30 FGEDHN C[C@@H](NC1(CNC(=O)C2(C#N)CCCC2)CCOCC1)c1ccccc1 ZINC000113236925 495288290 /nfs/dbraw/zinc/28/82/90/495288290.db2.gz JKQOXTQLHWPACZ-QGZVFWFLSA-N 0 3 355.482 3.087 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCc2c1cnn2C ZINC000135635813 495321516 /nfs/dbraw/zinc/32/15/16/495321516.db2.gz WONDJITUJQRPBR-KRWDZBQOSA-N 0 3 371.872 3.283 20 30 FGEDHN N#CC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000105025665 495328139 /nfs/dbraw/zinc/32/81/39/495328139.db2.gz LWESKBJYPFNRQW-UHFFFAOYSA-N 0 3 358.511 3.045 20 30 FGEDHN C[C@H](NCc1cccc(C#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000105462899 495365777 /nfs/dbraw/zinc/36/57/77/495365777.db2.gz SFCRDLOSGFHLCT-INIZCTEOSA-N 0 3 352.457 3.300 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1noc2c1CCCCC2 ZINC000130350537 495378355 /nfs/dbraw/zinc/37/83/55/495378355.db2.gz HCDDYOJJOAJVGQ-UHFFFAOYSA-N 0 3 366.465 3.019 20 30 FGEDHN O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(N2CC=CC2)CC1 ZINC000136822805 495403461 /nfs/dbraw/zinc/40/34/61/495403461.db2.gz YFHKLHPDFCUUIN-UHFFFAOYSA-N 0 3 372.472 3.350 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(=O)N(CC)CCC)cc2)CC1 ZINC000106035095 495406379 /nfs/dbraw/zinc/40/63/79/495406379.db2.gz FMXCCGKHUDVCLL-UHFFFAOYSA-N 0 3 371.525 3.329 20 30 FGEDHN N#Cc1ccccc1OCc1cccc(C(=O)NCCN2CCCCC2)c1 ZINC000114679259 495408319 /nfs/dbraw/zinc/40/83/19/495408319.db2.gz HKJNPGMXPUHPGU-UHFFFAOYSA-N 0 3 363.461 3.353 20 30 FGEDHN CC(C)Oc1cccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000120587399 495411383 /nfs/dbraw/zinc/41/13/83/495411383.db2.gz VJCBMUIKGWTBPO-LJQANCHMSA-N 0 3 354.450 3.217 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1ccc(C#N)cc1C)c1ccccc1 ZINC000120615165 495418157 /nfs/dbraw/zinc/41/81/57/495418157.db2.gz QYEFBBLEOWSDOM-OAQYLSRUSA-N 0 3 365.477 3.306 20 30 FGEDHN CSC[C@@](C)(O)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000120692945 495436205 /nfs/dbraw/zinc/43/62/05/495436205.db2.gz HPJCYCCIIBXCRS-FQEVSTJZSA-N 0 3 356.491 3.341 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-c3noc(C)n3)c2)CC1 ZINC000106323692 495444990 /nfs/dbraw/zinc/44/49/90/495444990.db2.gz UGRZOJBTRLXDHJ-UHFFFAOYSA-N 0 3 355.442 3.207 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CC(C)C)c2C(F)F)CC1 ZINC000130896271 495462824 /nfs/dbraw/zinc/46/28/24/495462824.db2.gz ZVWZECSREIOIBY-UHFFFAOYSA-N 0 3 354.445 3.247 20 30 FGEDHN N#Cc1cccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000138707979 495466463 /nfs/dbraw/zinc/46/64/63/495466463.db2.gz BYPWJHCIYOCMTC-UHFFFAOYSA-N 0 3 351.475 3.402 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000139061392 495472094 /nfs/dbraw/zinc/47/20/94/495472094.db2.gz HALHBBXXTQASLD-ZWKOTPCHSA-N 0 3 351.535 3.262 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)N(C)C1CC1 ZINC000115360898 495495004 /nfs/dbraw/zinc/49/50/04/495495004.db2.gz LPMJTMNAMMOTBO-MRXNPFEDSA-N 0 3 363.461 3.350 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCCO[C@H](C)C3)sc2C1 ZINC000170768623 495596863 /nfs/dbraw/zinc/59/68/63/495596863.db2.gz BQCUNZJJKUMLNV-UONOGXRCSA-N 0 3 361.511 3.184 20 30 FGEDHN COc1ccccc1N1CC[C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000154406968 495606859 /nfs/dbraw/zinc/60/68/59/495606859.db2.gz RHFMJABFTPZIGX-FUHWJXTLSA-N 0 3 351.450 3.355 20 30 FGEDHN CCN(CC)C(=O)CCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000182561050 495616103 /nfs/dbraw/zinc/61/61/03/495616103.db2.gz BFOSTAFHITXFOA-UHFFFAOYSA-N 0 3 357.498 3.427 20 30 FGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c[nH]c(C#N)c1 ZINC000182565506 495618348 /nfs/dbraw/zinc/61/83/48/495618348.db2.gz OCSLPSJAJLYJAW-IBGZPJMESA-N 0 3 374.448 3.091 20 30 FGEDHN CCn1c(NC(=O)C2Oc3ccccc3O[C@H]2C)nc2cc(C#N)ccc21 ZINC000179534244 495631612 /nfs/dbraw/zinc/63/16/12/495631612.db2.gz GZTYUSKVXZWHRF-KPZWWZAWSA-N 0 3 362.389 3.095 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000170935092 495658293 /nfs/dbraw/zinc/65/82/93/495658293.db2.gz DEIXWSGSWWWOFY-FQEVSTJZSA-N 0 3 366.440 3.334 20 30 FGEDHN C[C@@H]1CCc2ccccc2[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000568873189 505797532 /nfs/dbraw/zinc/79/75/32/505797532.db2.gz MXEWBVUVUWXBIO-QRWLVFNGSA-N 0 3 354.475 3.245 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185764040 495716408 /nfs/dbraw/zinc/71/64/08/495716408.db2.gz CUCBFLOCLQWUTE-SOLBZPMBSA-N 0 3 363.527 3.450 20 30 FGEDHN CCOc1ccccc1[C@@H](CC)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000179748993 495717249 /nfs/dbraw/zinc/71/72/49/495717249.db2.gz JJPYVOYQXPSWFC-YLJYHZDGSA-N 0 3 354.450 3.438 20 30 FGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000151062445 495728165 /nfs/dbraw/zinc/72/81/65/495728165.db2.gz WIDFDUDGOUVKTL-GOSISDBHSA-N 0 3 350.462 3.386 20 30 FGEDHN N#C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000176634212 495729110 /nfs/dbraw/zinc/72/91/10/495729110.db2.gz DFYSZSKBJYCRHF-OAQYLSRUSA-N 0 3 368.525 3.177 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000171140357 495741449 /nfs/dbraw/zinc/74/14/49/495741449.db2.gz RXNKBNKWDCGJGF-UHFFFAOYSA-N 0 3 353.470 3.498 20 30 FGEDHN C[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCOCC1 ZINC000179858329 495761767 /nfs/dbraw/zinc/76/17/67/495761767.db2.gz OOKXYEJIJHXBII-LSDHHAIUSA-N 0 3 361.511 3.282 20 30 FGEDHN CC(C)Cn1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000183008069 495796447 /nfs/dbraw/zinc/79/64/47/495796447.db2.gz CWUOONYZUUOQFY-UHFFFAOYSA-N 0 3 351.498 3.119 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000180013575 495822223 /nfs/dbraw/zinc/82/22/23/495822223.db2.gz FVIZXBBPWNSSEO-HNNXBMFYSA-N 0 3 356.426 3.166 20 30 FGEDHN Cn1cc(CNCc2ccc3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000180031138 495830549 /nfs/dbraw/zinc/83/05/49/495830549.db2.gz RZINSVSKBGDWBF-UHFFFAOYSA-N 0 3 360.417 3.020 20 30 FGEDHN CC[C@H]1Oc2cc([C@H](C)NC[C@H](O)c3ccc(C#N)cc3)ccc2NC1=O ZINC000180033669 495831107 /nfs/dbraw/zinc/83/11/07/495831107.db2.gz MFFNPDDSGRXDBF-FASAQXTFSA-N 0 3 365.433 3.052 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000159955773 495849306 /nfs/dbraw/zinc/84/93/06/495849306.db2.gz XZUSVWQYFYTKFT-DYESRHJHSA-N 0 3 362.477 3.363 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174244139 495879970 /nfs/dbraw/zinc/87/99/70/495879970.db2.gz AULLRLMUTSFCNX-UHFFFAOYSA-N 0 3 367.405 3.389 20 30 FGEDHN O=C(NCCN[C@@H](c1ccccc1F)C1CCCC1)C1N=CC=CC1=O ZINC000180177099 495893448 /nfs/dbraw/zinc/89/34/48/495893448.db2.gz YSJVTKRKYPDRGR-PXBNPBHZSA-N 0 3 357.429 3.173 20 30 FGEDHN CC[C@@H](C(=O)N1CCC(NCc2ccc(C#N)o2)CC1)c1ccccc1 ZINC000174326707 495911851 /nfs/dbraw/zinc/91/18/51/495911851.db2.gz CZQFMMOTIUTYHW-HXUWFJFHSA-N 0 3 351.450 3.426 20 30 FGEDHN Cc1ccc2oc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2n1 ZINC000171540901 495920049 /nfs/dbraw/zinc/92/00/49/495920049.db2.gz DYYDMTPWKHAQNH-UHFFFAOYSA-N 0 3 362.433 3.212 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000171630628 495956412 /nfs/dbraw/zinc/95/64/12/495956412.db2.gz GTVMXQDISYUPHS-CQSZACIVSA-N 0 3 357.845 3.143 20 30 FGEDHN COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C1CC1 ZINC000183456539 495991425 /nfs/dbraw/zinc/99/14/25/495991425.db2.gz DMYLIHFCKLXBCU-IBGZPJMESA-N 0 3 372.513 3.435 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000171716246 496003315 /nfs/dbraw/zinc/00/33/15/496003315.db2.gz ZHWDECLNWLPONM-IAGOWNOFSA-N 0 3 363.299 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000171725262 496008592 /nfs/dbraw/zinc/00/85/92/496008592.db2.gz SMCABMJBOIBVAB-AZUAARDMSA-N 0 3 357.498 3.104 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2Cc2ccccc2OC)CC1 ZINC000171739231 496014319 /nfs/dbraw/zinc/01/43/19/496014319.db2.gz FDUFMMWDGVVFAL-IBGZPJMESA-N 0 3 357.498 3.062 20 30 FGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000183584000 496039660 /nfs/dbraw/zinc/03/96/60/496039660.db2.gz ZYNXJTVDEZBWGU-INIZCTEOSA-N 0 3 359.433 3.423 20 30 FGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000180559585 496044503 /nfs/dbraw/zinc/04/45/03/496044503.db2.gz YYRNJPDKVSZKDL-OAHLLOKOSA-N 0 3 351.406 3.396 20 30 FGEDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000186672350 496101269 /nfs/dbraw/zinc/10/12/69/496101269.db2.gz ZUPXJZWPKMDEHP-GOSISDBHSA-N 0 3 365.861 3.108 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000174776237 496101641 /nfs/dbraw/zinc/10/16/41/496101641.db2.gz OPQTXUJKLHHFQS-UHFFFAOYSA-N 0 3 373.831 3.391 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CCC)CCO)cc1OC ZINC000161216558 496129472 /nfs/dbraw/zinc/12/94/72/496129472.db2.gz NKSULDCGNUCRAC-UHFFFAOYSA-N 0 3 358.276 3.227 20 30 FGEDHN CCN1CCN(Cc2ccc(CNCc3cc(C#N)cs3)cc2)CC1 ZINC000177686165 496159070 /nfs/dbraw/zinc/15/90/70/496159070.db2.gz MGKXEMLVSDTEJE-UHFFFAOYSA-N 0 3 354.523 3.047 20 30 FGEDHN N#Cc1csc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000177690243 496159825 /nfs/dbraw/zinc/15/98/25/496159825.db2.gz YPDOMFYFSBAMJX-ZDUSSCGKSA-N 0 3 356.369 3.168 20 30 FGEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000180948854 496213907 /nfs/dbraw/zinc/21/39/07/496213907.db2.gz HWALNVVFIWBXAA-GOSISDBHSA-N 0 3 367.474 3.040 20 30 FGEDHN COc1ccc(C)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000161795738 496239068 /nfs/dbraw/zinc/23/90/68/496239068.db2.gz FLCCZEMGCFXERA-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)CC1 ZINC000172384295 496276595 /nfs/dbraw/zinc/27/65/95/496276595.db2.gz VBEYSJXQMANZAV-FUHWJXTLSA-N 0 3 357.498 3.233 20 30 FGEDHN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000181698359 496507247 /nfs/dbraw/zinc/50/72/47/496507247.db2.gz HMRLYULNLIWBIK-MRXNPFEDSA-N 0 3 371.506 3.237 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)C ZINC000178616735 496516179 /nfs/dbraw/zinc/51/61/79/496516179.db2.gz FEGHFGJAQLNIGK-INIZCTEOSA-N 0 3 372.513 3.086 20 30 FGEDHN N#Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000569104504 505854607 /nfs/dbraw/zinc/85/46/07/505854607.db2.gz JYCPHIIWTHBFGJ-GOSISDBHSA-N 0 3 374.366 3.346 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000173414642 496682572 /nfs/dbraw/zinc/68/25/72/496682572.db2.gz SGHSPWXSSRJTOU-QGZVFWFLSA-N 0 3 372.469 3.395 20 30 FGEDHN COc1ccc(C[C@H](C)CN2CCN(c3ncccc3C#N)CC2)cc1F ZINC000185236552 496714134 /nfs/dbraw/zinc/71/41/34/496714134.db2.gz MDRFLYYSZJCFHT-INIZCTEOSA-N 0 3 368.456 3.102 20 30 FGEDHN CC(C)N1CCN(CCCSc2nc3c(cc2C#N)CCCC3)CC1 ZINC000188283185 496739816 /nfs/dbraw/zinc/73/98/16/496739816.db2.gz ZUYANIQAFJNTOQ-UHFFFAOYSA-N 0 3 358.555 3.340 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000268705045 496763466 /nfs/dbraw/zinc/76/34/66/496763466.db2.gz WHFKGRYRSVUHSG-FQEVSTJZSA-N 0 3 373.460 3.256 20 30 FGEDHN CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264179694 496829372 /nfs/dbraw/zinc/82/93/72/496829372.db2.gz YDNCCDLKPOTGQJ-UHFFFAOYSA-N 0 3 359.470 3.326 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000264250827 496851596 /nfs/dbraw/zinc/85/15/96/496851596.db2.gz OTLBJBLVDQJOOM-UHFFFAOYSA-N 0 3 357.454 3.317 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2)CC1 ZINC000264345333 496877849 /nfs/dbraw/zinc/87/78/49/496877849.db2.gz CZZMVUNGEZKRPK-MRXNPFEDSA-N 0 3 372.513 3.377 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)CC1 ZINC000264389296 496888786 /nfs/dbraw/zinc/88/87/86/496888786.db2.gz PRBUKZYPDPXVDB-KRWDZBQOSA-N 0 3 365.477 3.265 20 30 FGEDHN C=CCC1(C(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)CCC1 ZINC000188735923 496892347 /nfs/dbraw/zinc/89/23/47/496892347.db2.gz MKGYEZCOYNQNPJ-UHFFFAOYSA-N 0 3 355.526 3.187 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000264409708 496894201 /nfs/dbraw/zinc/89/42/01/496894201.db2.gz QUHWESNYTOQBAX-UHFFFAOYSA-N 0 3 370.497 3.085 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000572028961 505873057 /nfs/dbraw/zinc/87/30/57/505873057.db2.gz MBGWWMLYPISFIS-CTNGQTDRSA-N 0 3 371.912 3.420 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](N3CCCCC3)C2)c1C ZINC000264635229 496948996 /nfs/dbraw/zinc/94/89/96/496948996.db2.gz UVPYTAHRKPFJKV-FQEVSTJZSA-N 0 3 368.525 3.110 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000248140978 496961230 /nfs/dbraw/zinc/96/12/30/496961230.db2.gz YLXLCNDHKHQEOI-XLIONFOSSA-N 0 3 372.852 3.105 20 30 FGEDHN C=CCOc1ccc(CNCCN2CCc3ccccc3C2=O)cc1OC ZINC000189056366 496992889 /nfs/dbraw/zinc/99/28/89/496992889.db2.gz PPXQVMYJFDJNKE-UHFFFAOYSA-N 0 3 366.461 3.048 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000269718316 496993917 /nfs/dbraw/zinc/99/39/17/496993917.db2.gz PKMNGRMEFNRFQI-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000248398068 496994498 /nfs/dbraw/zinc/99/44/98/496994498.db2.gz MNIAXOWHAZWTBT-QFBILLFUSA-N 0 3 358.449 3.386 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000189065042 496996347 /nfs/dbraw/zinc/99/63/47/496996347.db2.gz UPLPLXWVXNTHMW-AWEZNQCLSA-N 0 3 357.454 3.401 20 30 FGEDHN CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1C#N ZINC000269819844 497006860 /nfs/dbraw/zinc/00/68/60/497006860.db2.gz IJVBRPOBVCTFSW-CZUORRHYSA-N 0 3 373.457 3.073 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccccc3C)c2CC)CC1 ZINC000192138540 497009237 /nfs/dbraw/zinc/00/92/37/497009237.db2.gz ZDDLNVCHNRGWDX-UHFFFAOYSA-N 0 3 350.466 3.027 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192143429 497010801 /nfs/dbraw/zinc/01/08/01/497010801.db2.gz KMTNIDQBUPYWSM-QUCCMNQESA-N 0 3 371.387 3.285 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192144746 497011256 /nfs/dbraw/zinc/01/12/56/497011256.db2.gz JEIYZKZJNFHEKY-PXNSSMCTSA-N 0 3 374.387 3.344 20 30 FGEDHN CN(Cc1ccc(OCC#N)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000264998671 497029358 /nfs/dbraw/zinc/02/93/58/497029358.db2.gz OPLUKNWBFMIBDV-UHFFFAOYSA-N 0 3 351.450 3.058 20 30 FGEDHN CC[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278256023 497053575 /nfs/dbraw/zinc/05/35/75/497053575.db2.gz NDNCUOIMSJTFLC-OAQYLSRUSA-N 0 3 363.461 3.272 20 30 FGEDHN CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(C#N)cc1 ZINC000278257871 497054478 /nfs/dbraw/zinc/05/44/78/497054478.db2.gz NHXYNUTUCPFFSV-LIRRHRJNSA-N 0 3 357.479 3.268 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000227265279 497088055 /nfs/dbraw/zinc/08/80/55/497088055.db2.gz XWGIZYZUEWTWLJ-MBOZVWFJSA-N 0 3 357.498 3.198 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000227419811 497088828 /nfs/dbraw/zinc/08/88/28/497088828.db2.gz OFBSTQGKMGGYJH-UWVAXJGDSA-N 0 3 357.498 3.198 20 30 FGEDHN CN(CCCN(C)C(=O)C[C@@H](CC#N)c1ccccc1)Cc1ccncc1 ZINC000581016066 505890900 /nfs/dbraw/zinc/89/09/00/505890900.db2.gz UPJQRDHDGSBQDG-OAQYLSRUSA-N 0 3 364.493 3.449 20 30 FGEDHN C[C@@H]1CN(C2CCOCC2)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000278782628 497218450 /nfs/dbraw/zinc/21/84/50/497218450.db2.gz XKYLENZDLNLRIP-MRXNPFEDSA-N 0 3 366.427 3.242 20 30 FGEDHN COc1ccc(CN[C@H]2COc3ccccc3C2)cc1OCCCC#N ZINC000237376430 497227297 /nfs/dbraw/zinc/22/72/97/497227297.db2.gz RFDHAYJVKDYFOC-GOSISDBHSA-N 0 3 352.434 3.471 20 30 FGEDHN COc1ccc(CN(CCO)Cc2ccccc2)cc1OCCCC#N ZINC000271012135 497245836 /nfs/dbraw/zinc/24/58/36/497245836.db2.gz PVIPJVJKCNXGJC-UHFFFAOYSA-N 0 3 354.450 3.372 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)nn(CC)c1Cl)C(C)C ZINC000266175901 497273158 /nfs/dbraw/zinc/27/31/58/497273158.db2.gz XGQRLKJLPZNMKP-HNNXBMFYSA-N 0 3 352.910 3.293 20 30 FGEDHN COC[C@@](C)(CCO)NCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193065231 497292445 /nfs/dbraw/zinc/29/24/45/497292445.db2.gz STIGYUBJJSRFDJ-OAQYLSRUSA-N 0 3 352.478 3.263 20 30 FGEDHN CCOc1ccnc(N2CCCN([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000189930029 497296722 /nfs/dbraw/zinc/29/67/22/497296722.db2.gz UBJNPGGREBPZRD-INIZCTEOSA-N 0 3 351.454 3.020 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000574994986 505900540 /nfs/dbraw/zinc/90/05/40/505900540.db2.gz RTPRSEZCDIBPOK-LPHOPBHVSA-N 0 3 352.906 3.330 20 30 FGEDHN Cc1nn(C)c2ncc(CNCCSCc3ccccc3C#N)cc12 ZINC000193437409 497380375 /nfs/dbraw/zinc/38/03/75/497380375.db2.gz OQMRIUWJADLIHW-UHFFFAOYSA-N 0 3 351.479 3.171 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000275611763 497381445 /nfs/dbraw/zinc/38/14/45/497381445.db2.gz IKYTTZXKXOZNHL-UHFFFAOYSA-N 0 3 351.450 3.458 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3cccc4nccn43)CC2)c1 ZINC000271724971 497430394 /nfs/dbraw/zinc/43/03/94/497430394.db2.gz LCIRYSILOQBBTP-UHFFFAOYSA-N 0 3 359.433 3.057 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccco1 ZINC000279438323 497438747 /nfs/dbraw/zinc/43/87/47/497438747.db2.gz FBUBXBXQBKLOMJ-MOPGFXCFSA-N 0 3 364.449 3.033 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000275861361 497450418 /nfs/dbraw/zinc/45/04/18/497450418.db2.gz XUFSTXNDTITKCD-LJQANCHMSA-N 0 3 350.528 3.305 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(CCCOC)CC1 ZINC000279493665 497454611 /nfs/dbraw/zinc/45/46/11/497454611.db2.gz JJIVTWGKEAMCGT-UHFFFAOYSA-N 0 3 359.514 3.275 20 30 FGEDHN CC(C)OCCN1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000267006706 497467088 /nfs/dbraw/zinc/46/70/88/497467088.db2.gz FHSMAAOIWCPNGT-UHFFFAOYSA-N 0 3 356.392 3.273 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000575040340 505909593 /nfs/dbraw/zinc/90/95/93/505909593.db2.gz UYLFWHOFVAMTDZ-MRXNPFEDSA-N 0 3 352.331 3.409 20 30 FGEDHN C=CCCOCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000245633650 497482000 /nfs/dbraw/zinc/48/20/00/497482000.db2.gz FWAWZRMQNNNEEO-RDJZCZTQSA-N 0 3 351.516 3.023 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271911932 497486298 /nfs/dbraw/zinc/48/62/98/497486298.db2.gz BAACDEPPSDKUQF-SMDDNHRTSA-N 0 3 350.340 3.066 20 30 FGEDHN CCNC(=O)COc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271974192 497501813 /nfs/dbraw/zinc/50/18/13/497501813.db2.gz XIKFKJRFIQQVTR-CQSZACIVSA-N 0 3 355.413 3.063 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)c2ccccc2OCC#N)CC1 ZINC000194170416 497592935 /nfs/dbraw/zinc/59/29/35/497592935.db2.gz MEEYOYLQQAGWHO-UHFFFAOYSA-N 0 3 363.461 3.292 20 30 FGEDHN Cc1cnccc1OC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280089720 497644997 /nfs/dbraw/zinc/64/49/97/497644997.db2.gz RUGCUBKWFJIBOT-LJQANCHMSA-N 0 3 374.444 3.014 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000280136412 497660851 /nfs/dbraw/zinc/66/08/51/497660851.db2.gz QUPUVSNFXVIFIQ-APWZRJJASA-N 0 3 363.392 3.410 20 30 FGEDHN Cn1cc(CN[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1C#N ZINC000190994723 497676253 /nfs/dbraw/zinc/67/62/53/497676253.db2.gz ZBXIGRQCOPYWOH-KRWDZBQOSA-N 0 3 360.864 3.443 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000246291636 497685980 /nfs/dbraw/zinc/68/59/80/497685980.db2.gz IMIWGFLHFJQRBE-WOJBJXKFSA-N 0 3 369.509 3.342 20 30 FGEDHN CC[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000280287743 497707881 /nfs/dbraw/zinc/70/78/81/497707881.db2.gz DZZKSZJHFMTDEE-ZWKOTPCHSA-N 0 3 365.408 3.353 20 30 FGEDHN C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000272708876 497708543 /nfs/dbraw/zinc/70/85/43/497708543.db2.gz KCWVTIBTKOXZFD-NSHDSACASA-N 0 3 352.360 3.349 20 30 FGEDHN CC[C@H]1C[C@@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272707928 497708689 /nfs/dbraw/zinc/70/86/89/497708689.db2.gz HSUGPVMFWDHSSG-PMACEKPBSA-N 0 3 357.498 3.044 20 30 FGEDHN CCO[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280417252 497747307 /nfs/dbraw/zinc/74/73/07/497747307.db2.gz LUKULXMQPSDEQB-WOJBJXKFSA-N 0 3 353.466 3.342 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000280604021 497822767 /nfs/dbraw/zinc/82/27/67/497822767.db2.gz GDJHDGXWXCIXAC-YADHBBJMSA-N 0 3 373.456 3.213 20 30 FGEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCCC2 ZINC000280605717 497823269 /nfs/dbraw/zinc/82/32/69/497823269.db2.gz XKEPRQOLWMLPIE-IPMKNSEASA-N 0 3 351.450 3.095 20 30 FGEDHN N#CCCN(Cc1ccco1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000299502329 497826744 /nfs/dbraw/zinc/82/67/44/497826744.db2.gz GPIOVBMXLAFDOW-UHFFFAOYSA-N 0 3 351.450 3.434 20 30 FGEDHN C[C@]12CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000284564447 497829699 /nfs/dbraw/zinc/82/96/99/497829699.db2.gz QQZOOVTXRACBCJ-INMHGKMJSA-N 0 3 362.260 3.283 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@H]1CCCNC1=O ZINC000329593883 497838989 /nfs/dbraw/zinc/83/89/89/497838989.db2.gz ZXWNEFZMNLORJZ-ROUUACIJSA-N 0 3 372.513 3.082 20 30 FGEDHN CC(C)N1CCC(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000329653881 497857923 /nfs/dbraw/zinc/85/79/23/497857923.db2.gz LKYKEAJECIHGJR-WFASDCNBSA-N 0 3 370.540 3.432 20 30 FGEDHN Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3CCCCN3C[C@H]2C)c1C ZINC000329678216 497866298 /nfs/dbraw/zinc/86/62/98/497866298.db2.gz WXKKCCYRYSKZLS-NVXWUHKLSA-N 0 3 358.486 3.364 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329748359 497888488 /nfs/dbraw/zinc/88/84/88/497888488.db2.gz SWDYRYPQJZGZBN-UYKLPWQDSA-N 0 3 369.513 3.053 20 30 FGEDHN O=C(CN1C[C@@H]2CCC(=O)c3cccc1c32)NC1CCN(C2CC2)CC1 ZINC000329790575 497901782 /nfs/dbraw/zinc/90/17/82/497901782.db2.gz CVOAMZBSPRVFOY-AWEZNQCLSA-N 0 3 353.466 3.150 20 30 FGEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]CC1(c2ccc(F)cc2)CCC1 ZINC000329894741 497943166 /nfs/dbraw/zinc/94/31/66/497943166.db2.gz BOWQJBSXOWZASD-HNNXBMFYSA-N 0 3 356.445 3.210 20 30 FGEDHN [O-]C(NCC1(c2ccc(F)cc2)CCC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329894741 497943170 /nfs/dbraw/zinc/94/31/70/497943170.db2.gz BOWQJBSXOWZASD-HNNXBMFYSA-N 0 3 356.445 3.210 20 30 FGEDHN C[C@@H]1C(=O)CC[C@H](C(=O)NC2CCN(C[C@H]3CCOC3)CC2)C1(C)C ZINC000329923521 497955443 /nfs/dbraw/zinc/95/54/43/497955443.db2.gz IMNOLZZKGSWTPJ-BFYDXBDKSA-N 0 3 350.503 3.085 20 30 FGEDHN C[C@]1(O)CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000329930921 497956960 /nfs/dbraw/zinc/95/69/60/497956960.db2.gz ZYZFMQWHMVUBRX-YJBOKZPZSA-N 0 3 351.516 3.036 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN[C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000285024705 497973033 /nfs/dbraw/zinc/97/30/33/497973033.db2.gz ZURFPMYCCAOFHB-ZWKOTPCHSA-N 0 3 372.266 3.490 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)[N-]C2CCC2)cc1 ZINC000292338914 497975745 /nfs/dbraw/zinc/97/57/45/497975745.db2.gz OKKMNKFUKPPKJW-UHFFFAOYSA-O 0 3 369.466 3.092 20 30 FGEDHN CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000329988199 497981134 /nfs/dbraw/zinc/98/11/34/497981134.db2.gz UBHDWGVEXPWRSB-RBUKOAKNSA-N 0 3 372.513 3.253 20 30 FGEDHN C=CCNC(=O)c1ccc(N2CCN(Cc3ccccc3)C(C)(C)C2)nc1 ZINC000301230113 498011013 /nfs/dbraw/zinc/01/10/13/498011013.db2.gz IJBNEBGGZIQCAP-UHFFFAOYSA-N 0 3 364.493 3.098 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000330128843 498031890 /nfs/dbraw/zinc/03/18/90/498031890.db2.gz DQDLDISFFBRMSW-HNBVOPMISA-N 0 3 359.514 3.388 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1 ZINC000296412400 498033624 /nfs/dbraw/zinc/03/36/24/498033624.db2.gz VGOFSGYSZKXPFF-QRQLOZEOSA-N 0 3 373.884 3.134 20 30 FGEDHN COc1cccc([C@H](CNC(=O)N[C@@H]2CCCSC2)N2CCCC2)c1 ZINC000330165169 498046866 /nfs/dbraw/zinc/04/68/66/498046866.db2.gz WRICGNOHVWSJTR-AEFFLSMTSA-N 0 3 363.527 3.231 20 30 FGEDHN CCCN(CCN1CCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000285386347 498070836 /nfs/dbraw/zinc/07/08/36/498070836.db2.gz DDDDJEJGTMIJFJ-UHFFFAOYSA-N 0 3 353.470 3.306 20 30 FGEDHN C=C(Br)CN(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000364700189 498098857 /nfs/dbraw/zinc/09/88/57/498098857.db2.gz ABKDLNAOMFVAQD-GOEBONIOSA-N 0 3 355.324 3.034 20 30 FGEDHN C=CCc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc(OC)c1OC ZINC000285586380 498139109 /nfs/dbraw/zinc/13/91/09/498139109.db2.gz BCVDAYVUONUBGD-QAPCUYQASA-N 0 3 358.482 3.131 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000296661807 498142486 /nfs/dbraw/zinc/14/24/86/498142486.db2.gz ZRXVUGPXLDFWQX-HXUWFJFHSA-N 0 3 356.470 3.295 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(CN(C)C)CCC2)cc1 ZINC000281425040 498146245 /nfs/dbraw/zinc/14/62/45/498146245.db2.gz QMFSEBACUOLLQZ-UHFFFAOYSA-N 0 3 370.497 3.107 20 30 FGEDHN Cc1cccc2c1OC[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000289476080 498160968 /nfs/dbraw/zinc/16/09/68/498160968.db2.gz DXRALKKDEYBUOQ-FQEVSTJZSA-N 0 3 373.460 3.261 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C2CC2)C[C@H](C)C1 ZINC000296707624 498162396 /nfs/dbraw/zinc/16/23/96/498162396.db2.gz LODCJFKMEBFPSL-SJORKVTESA-N 0 3 361.555 3.067 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000281473456 498163307 /nfs/dbraw/zinc/16/33/07/498163307.db2.gz HMGHNLZTYBQQFR-FPOVZHCZSA-N 0 3 371.525 3.274 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2c2nccn2CC)CC1 ZINC000281716820 498246769 /nfs/dbraw/zinc/24/67/69/498246769.db2.gz QJZDZLUJZSQDIM-SFHVURJKSA-N 0 3 359.518 3.180 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H](O)CC2)sc2c1CCCCC2 ZINC000293102247 498269370 /nfs/dbraw/zinc/26/93/70/498269370.db2.gz LCKHTHCDCVGBRU-CQSZACIVSA-N 0 3 361.511 3.064 20 30 FGEDHN C[C@]1(NC(=O)CSc2ccc(C#N)cc2)CCN(Cc2ccccc2)C1 ZINC000572606777 506009656 /nfs/dbraw/zinc/00/96/56/506009656.db2.gz AZFSBUJWPITXCS-NRFANRHFSA-N 0 3 365.502 3.431 20 30 FGEDHN COc1cc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1C#N ZINC000281838186 498286881 /nfs/dbraw/zinc/28/68/81/498286881.db2.gz YEVLSSRXUQQOTH-CQSZACIVSA-N 0 3 351.406 3.374 20 30 FGEDHN Cc1nc(C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n[nH]1 ZINC000360872987 498317103 /nfs/dbraw/zinc/31/71/03/498317103.db2.gz ODTZRVJCUOLVCX-UHFFFAOYSA-N 0 3 364.371 3.243 20 30 FGEDHN Cc1n[nH]c(C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000360872987 498317111 /nfs/dbraw/zinc/31/71/11/498317111.db2.gz ODTZRVJCUOLVCX-UHFFFAOYSA-N 0 3 364.371 3.243 20 30 FGEDHN Cc1nnc(C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)[nH]1 ZINC000360872987 498317117 /nfs/dbraw/zinc/31/71/17/498317117.db2.gz ODTZRVJCUOLVCX-UHFFFAOYSA-N 0 3 364.371 3.243 20 30 FGEDHN Cc1cc(NCc2nc(C#N)cs2)cc(N2CCN(C(C)C)CC2)c1 ZINC000569746256 506006377 /nfs/dbraw/zinc/00/63/77/506006377.db2.gz FHYZCJAIDIOTRZ-UHFFFAOYSA-N 0 3 355.511 3.466 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000281961075 498335130 /nfs/dbraw/zinc/33/51/30/498335130.db2.gz GDNPBJRQYPGCPH-IRXDYDNUSA-N 0 3 373.250 3.468 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000297214540 498360921 /nfs/dbraw/zinc/36/09/21/498360921.db2.gz DTZICCJFCZVXOZ-ZVZYQTTQSA-N 0 3 360.527 3.393 20 30 FGEDHN Cc1nc2n(c1CN1CCN(CCCCC(C)(C)C#N)CC1)CCCC2 ZINC000365227058 498361937 /nfs/dbraw/zinc/36/19/37/498361937.db2.gz LDCNUWHGXWUYFR-UHFFFAOYSA-N 0 3 357.546 3.366 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCC1CCC(C#N)CC1 ZINC000282084295 498379445 /nfs/dbraw/zinc/37/94/45/498379445.db2.gz XWIRANBKJSIVBV-UHFFFAOYSA-N 0 3 360.477 3.229 20 30 FGEDHN COc1cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1C#N ZINC000282150571 498402041 /nfs/dbraw/zinc/40/20/41/498402041.db2.gz CQJBIRCULGNBIQ-GOSISDBHSA-N 0 3 365.481 3.264 20 30 FGEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000361515730 498403249 /nfs/dbraw/zinc/40/32/49/498403249.db2.gz KQMYZODEUIEYGE-LEWJYISDSA-N 0 3 360.461 3.222 20 30 FGEDHN C#CCCOc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000297347123 498414516 /nfs/dbraw/zinc/41/45/16/498414516.db2.gz BFOGGHFDLJZEQP-UHFFFAOYSA-N 0 3 363.461 3.130 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(N3CCN(C4CCOCC4)CC3)c2c1 ZINC000361784621 498431703 /nfs/dbraw/zinc/43/17/03/498431703.db2.gz QJBFMPKMSBITER-UHFFFAOYSA-N 0 3 350.466 3.024 20 30 FGEDHN Cn1c(Cl)cnc1CN1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000365443796 498470259 /nfs/dbraw/zinc/47/02/59/498470259.db2.gz PDSVCPHZIODITD-UHFFFAOYSA-N 0 3 351.926 3.301 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000302689295 498533211 /nfs/dbraw/zinc/53/32/11/498533211.db2.gz UUPYRRNYOKSTGT-OAHLLOKOSA-N 0 3 371.916 3.445 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2ccc(C#N)cc2Br)CC1 ZINC000302702773 498538360 /nfs/dbraw/zinc/53/83/60/498538360.db2.gz XRSCZBWZNRPGBC-AWEZNQCLSA-N 0 3 365.319 3.006 20 30 FGEDHN C=CCN(Cc1nc([C@@H](C)OCC)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000362937070 498584592 /nfs/dbraw/zinc/58/45/92/498584592.db2.gz YXGNYVLSHQMTSQ-MJGOQNOKSA-N 0 3 370.497 3.430 20 30 FGEDHN CN(c1ncc(C#N)cc1Cl)C1CCN(CCc2ccncc2)CC1 ZINC000362950971 498587407 /nfs/dbraw/zinc/58/74/07/498587407.db2.gz BCKYVKNJVJUZNR-UHFFFAOYSA-N 0 3 355.873 3.145 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000576031281 506059397 /nfs/dbraw/zinc/05/93/97/506059397.db2.gz LUSNIMKLYRLZML-ZWKOTPCHSA-N 0 3 360.866 3.131 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000578986236 506067879 /nfs/dbraw/zinc/06/78/79/506067879.db2.gz QPYSGGLPBFLTPQ-NVXWUHKLSA-N 0 3 371.872 3.415 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000578986237 506068089 /nfs/dbraw/zinc/06/80/89/506068089.db2.gz QPYSGGLPBFLTPQ-RDJZCZTQSA-N 0 3 371.872 3.415 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000303711179 498707875 /nfs/dbraw/zinc/70/78/75/498707875.db2.gz COPYOKNJWQMXOO-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1nc2c(cc1C#N)CCCC2 ZINC000365955333 498710524 /nfs/dbraw/zinc/71/05/24/498710524.db2.gz LXYXTMQSBPOWOU-RXVVDRJESA-N 0 3 361.493 3.356 20 30 FGEDHN Cc1cc([C@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n[nH]1 ZINC000283041497 498756990 /nfs/dbraw/zinc/75/69/90/498756990.db2.gz OAKMYSFTUVHZSM-SFHVURJKSA-N 0 3 360.465 3.370 20 30 FGEDHN Cc1cc([C@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)[nH]n1 ZINC000283041497 498756999 /nfs/dbraw/zinc/75/69/99/498756999.db2.gz OAKMYSFTUVHZSM-SFHVURJKSA-N 0 3 360.465 3.370 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000298443456 498773537 /nfs/dbraw/zinc/77/35/37/498773537.db2.gz GYJOILAJYJBGAH-KRWDZBQOSA-N 0 3 357.841 3.254 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000298443463 498773727 /nfs/dbraw/zinc/77/37/27/498773727.db2.gz GYJOILAJYJBGAH-QGZVFWFLSA-N 0 3 357.841 3.254 20 30 FGEDHN C[C@H]1CN(c2ccccc2CNCc2ccc(OCC#N)cc2)CCO1 ZINC000298463448 498779858 /nfs/dbraw/zinc/77/98/58/498779858.db2.gz OMODTLJGEKXZRM-KRWDZBQOSA-N 0 3 351.450 3.104 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 ZINC000294746222 498791289 /nfs/dbraw/zinc/79/12/89/498791289.db2.gz VOXNJDUSPQEIAA-CRFBAAHOSA-N 0 3 365.458 3.121 20 30 FGEDHN Cc1ccc(SC[C@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000572954155 506091629 /nfs/dbraw/zinc/09/16/29/506091629.db2.gz GUJRKETZPKBUIE-INIZCTEOSA-N 0 3 374.531 3.411 20 30 FGEDHN C=C(C)C[NH+]1CCC(Nc2c(C(=O)[O-])cnc3c(C)cc(C)cc32)CC1 ZINC000581946347 506096480 /nfs/dbraw/zinc/09/64/80/506096480.db2.gz JOJCBJBADRIZBY-UHFFFAOYSA-N 0 3 353.466 3.424 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccccc2C(F)(F)F)cc1 ZINC000327337711 498855627 /nfs/dbraw/zinc/85/56/27/498855627.db2.gz FVCVLVMKCBKNKF-HNNXBMFYSA-N 0 3 350.340 3.107 20 30 FGEDHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328601535 498871332 /nfs/dbraw/zinc/87/13/32/498871332.db2.gz FQELDZLOSVCBLR-AGIUHOORSA-N 0 3 374.407 3.132 20 30 FGEDHN C#CCCN1CCC(NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000363551571 498873979 /nfs/dbraw/zinc/87/39/79/498873979.db2.gz QICUBVPYHOXYKH-UHFFFAOYSA-N 0 3 371.481 3.096 20 30 FGEDHN N#Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)s1 ZINC000576245199 506111893 /nfs/dbraw/zinc/11/18/93/506111893.db2.gz RAIICFRGJWAJTI-UHFFFAOYSA-N 0 3 354.479 3.057 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C12CCCC2 ZINC000333195683 498932241 /nfs/dbraw/zinc/93/22/41/498932241.db2.gz XCNXPEGCLJWULT-ARFHVFGLSA-N 0 3 359.495 3.052 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCCc2cc3ccccc3o2)cc1 ZINC000570201987 506114422 /nfs/dbraw/zinc/11/44/22/506114422.db2.gz QDIPFGXRUOGZBJ-SFHVURJKSA-N 0 3 350.418 3.071 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](c2ccnn2C)C1)C(C)C ZINC000573088421 506115893 /nfs/dbraw/zinc/11/58/93/506115893.db2.gz JGQBXPPFYGMNHJ-QUCCMNQESA-N 0 3 373.545 3.008 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328832973 498954050 /nfs/dbraw/zinc/95/40/50/498954050.db2.gz RSYZTSBXFLFWCQ-BASLNEPJSA-N 0 3 352.862 3.178 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328832974 498954226 /nfs/dbraw/zinc/95/42/26/498954226.db2.gz RSYZTSBXFLFWCQ-VJUNAUMWSA-N 0 3 352.862 3.178 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000328889085 498975779 /nfs/dbraw/zinc/97/57/79/498975779.db2.gz QOMSKTAIBMLOSO-QRQLOZEOSA-N 0 3 367.497 3.339 20 30 FGEDHN C[C@H](NCCCN1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363797162 498996773 /nfs/dbraw/zinc/99/67/73/498996773.db2.gz UFMQJQQJSSMVPO-HNNXBMFYSA-N 0 3 356.495 3.055 20 30 FGEDHN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)C1 ZINC000328958059 498998805 /nfs/dbraw/zinc/99/88/05/498998805.db2.gz ZWFOVIFQBGSQLE-GBESFXJTSA-N 0 3 357.498 3.079 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000328962479 498999853 /nfs/dbraw/zinc/99/98/53/498999853.db2.gz LDXHFYVPZCIJHM-FGTMMUONSA-N 0 3 358.486 3.082 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cnn(C)c1 ZINC000299337155 499029724 /nfs/dbraw/zinc/02/97/24/499029724.db2.gz OPLOVFVJAHBLMC-QWHCGFSZSA-N 0 3 371.510 3.157 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329074874 499034521 /nfs/dbraw/zinc/03/45/21/499034521.db2.gz BORDZBGNOBYWPJ-UHOSZYNNSA-N 0 3 363.477 3.281 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000366699236 499037824 /nfs/dbraw/zinc/03/78/24/499037824.db2.gz HZDBOTZLVNLSCN-LMSBXDPUSA-N 0 3 363.527 3.021 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000363940704 499060248 /nfs/dbraw/zinc/06/02/48/499060248.db2.gz UGZSHTYXFTWPMQ-SJLPKXTDSA-N 0 3 353.470 3.360 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000291806878 499073872 /nfs/dbraw/zinc/07/38/72/499073872.db2.gz ZDNJYHXNGDCFFQ-ZDUSSCGKSA-N 0 3 351.288 3.319 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000284274041 499080784 /nfs/dbraw/zinc/08/07/84/499080784.db2.gz NAUIPJAMSBAKGL-FXAWDEMLSA-N 0 3 368.868 3.185 20 30 FGEDHN C[C@@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)N1CCC[C@@H](C)C1 ZINC000329240150 499081610 /nfs/dbraw/zinc/08/16/10/499081610.db2.gz QUBQYFLABOLIFV-JYYAWHABSA-N 0 3 352.523 3.144 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccccc2)c(C#N)c1C ZINC000284385577 499098920 /nfs/dbraw/zinc/09/89/20/499098920.db2.gz VHHOQZPNEYYGLC-MJGOQNOKSA-N 0 3 368.506 3.210 20 30 FGEDHN N#CC1(CCCN2CCC(NC(=O)c3cccs3)CC2)CCOCC1 ZINC000366896405 499109283 /nfs/dbraw/zinc/10/92/83/499109283.db2.gz MCIGBMZFTXGPHN-UHFFFAOYSA-N 0 3 361.511 3.043 20 30 FGEDHN N#Cc1ccc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)nc1 ZINC000570291095 506134760 /nfs/dbraw/zinc/13/47/60/506134760.db2.gz HLODMATZNKOEPD-SFHVURJKSA-N 0 3 361.367 3.463 20 30 FGEDHN O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@@H]1C1CCOCC1 ZINC000329395102 499114352 /nfs/dbraw/zinc/11/43/52/499114352.db2.gz WXAGGCDTUFODSD-HXUWFJFHSA-N 0 3 372.513 3.103 20 30 FGEDHN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000329405455 499116030 /nfs/dbraw/zinc/11/60/30/499116030.db2.gz BTQPEDBMEPTBIX-SWLSCSKDSA-N 0 3 360.483 3.185 20 30 FGEDHN COc1cccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cccc(C)c2)c1 ZINC000284522261 499119543 /nfs/dbraw/zinc/11/95/43/499119543.db2.gz USOUKUITTSLTKN-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000329439438 499121595 /nfs/dbraw/zinc/12/15/95/499121595.db2.gz MQJQSYXJBUGWIO-LLVKDONJSA-N 0 3 366.849 3.140 20 30 FGEDHN COCc1cccc2sc(=NC(=O)N3CC[C@H]4CCN(C)C[C@@H]43)[nH]c21 ZINC000329460218 499124803 /nfs/dbraw/zinc/12/48/03/499124803.db2.gz SAAXYYZCKIUUNW-OCCSQVGLSA-N 0 3 360.483 3.014 20 30 FGEDHN CN(C(=O)c1ccc(NCc2ccc(C#N)s2)cc1)[C@@H]1CCCN(C)C1 ZINC000367065507 499142686 /nfs/dbraw/zinc/14/26/86/499142686.db2.gz GEUTURQDGUYRPX-QGZVFWFLSA-N 0 3 368.506 3.398 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2cccn2Cc2ccccc2C#N)[C@@]12CCCO2 ZINC000372650670 499157838 /nfs/dbraw/zinc/15/78/38/499157838.db2.gz PVFXRMMCGQGKOV-VSKRKVRLSA-N 0 3 365.477 3.224 20 30 FGEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)o1 ZINC000372819398 499179800 /nfs/dbraw/zinc/17/98/00/499179800.db2.gz NLWCUYXASLJIGJ-FOIQADDNSA-N 0 3 361.405 3.150 20 30 FGEDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1C#N ZINC000368221575 499275413 /nfs/dbraw/zinc/27/54/13/499275413.db2.gz IXCPSPYXZIOKNU-VHKYSDTDSA-N 0 3 366.440 3.059 20 30 FGEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000570313680 506139757 /nfs/dbraw/zinc/13/97/57/506139757.db2.gz HPJTZNCWXPACMV-UHFFFAOYSA-N 0 3 361.367 3.405 20 30 FGEDHN C/C=C/c1ccc(OC[C@@H](O)CNCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000573199931 506141827 /nfs/dbraw/zinc/14/18/27/506141827.db2.gz NLBAZMYXFINAHP-WHLIDYPQSA-N 0 3 370.424 3.269 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC3(CCOCC3)[C@H]2C)cc1C ZINC000368836108 499337999 /nfs/dbraw/zinc/33/79/99/499337999.db2.gz WDEVMSVTACEXAP-LJQANCHMSA-N 0 3 369.509 3.441 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000369073078 499362989 /nfs/dbraw/zinc/36/29/89/499362989.db2.gz GJPUHULYQGWTCT-FQEVSTJZSA-N 0 3 368.456 3.260 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000369401180 499400049 /nfs/dbraw/zinc/40/00/49/499400049.db2.gz KXAHUSDKSHAFRI-SESVDKBCSA-N 0 3 371.525 3.274 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000369401177 499400250 /nfs/dbraw/zinc/40/02/50/499400250.db2.gz KXAHUSDKSHAFRI-CEWLAPEOSA-N 0 3 371.525 3.274 20 30 FGEDHN CN1CC[C@H](CNC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000369564516 499418652 /nfs/dbraw/zinc/41/86/52/499418652.db2.gz JUOXYYLHXHDWEJ-DBHZWCICSA-N 0 3 351.475 3.442 20 30 FGEDHN CN1CC[C@H](CNC(=O)c2ccccc2OCC#N)[C@@H]1c1cccs1 ZINC000369568768 499419760 /nfs/dbraw/zinc/41/97/60/499419760.db2.gz MASJGNQUGAMXLG-RDTXWAMCSA-N 0 3 355.463 3.073 20 30 FGEDHN N#C[C@H]1N(C(=O)c2ccc(CN3CCCC3)cc2)CCC[C@]12CCCCO2 ZINC000373375035 499466123 /nfs/dbraw/zinc/46/61/23/499466123.db2.gz CZUDJTFLSXGCCJ-IFMALSPDSA-N 0 3 367.493 3.350 20 30 FGEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000373503854 499473712 /nfs/dbraw/zinc/47/37/12/499473712.db2.gz UBBSPQYEHIJJMI-NSISKUIASA-N 0 3 369.509 3.107 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375201616 499495168 /nfs/dbraw/zinc/49/51/68/499495168.db2.gz RGDLQCCTDKYLQH-SFHVURJKSA-N 0 3 362.408 3.123 20 30 FGEDHN COc1cccc(N2C[C@H](N[C@H](C)c3ccc(OCC#N)cc3)CC2=O)c1 ZINC000378450811 499518217 /nfs/dbraw/zinc/51/82/17/499518217.db2.gz INXOUMRJDLAYEM-NVXWUHKLSA-N 0 3 365.433 3.054 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000375473126 499523576 /nfs/dbraw/zinc/52/35/76/499523576.db2.gz VLTSIOCZSPLGPR-DYQZNNLLSA-N 0 3 367.493 3.069 20 30 FGEDHN C=CCOc1ccccc1CNCCCn1cc(Br)cn1 ZINC000385625256 499548231 /nfs/dbraw/zinc/54/82/31/499548231.db2.gz AMVQBUQSZKLTQK-UHFFFAOYSA-N 0 3 350.260 3.390 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000396572393 499563333 /nfs/dbraw/zinc/56/33/33/499563333.db2.gz OUDPKESONDQEQS-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@@]1(c2ccccc2)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000376245772 499594353 /nfs/dbraw/zinc/59/43/53/499594353.db2.gz UPPOXONUCOGHKD-UGKGYDQZSA-N 0 3 359.429 3.015 20 30 FGEDHN CN(C)c1ccc(C2=CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000376759781 499633694 /nfs/dbraw/zinc/63/36/94/499633694.db2.gz XCTXRALQMBJMOO-NRFANRHFSA-N 0 3 370.456 3.232 20 30 FGEDHN C=CCN1CC[C@H](N2CCC(CCc3cc(OC)cc(OC)c3)CC2)C1=O ZINC000410313259 499654362 /nfs/dbraw/zinc/65/43/62/499654362.db2.gz ZXDRDGHRWINTRL-NRFANRHFSA-N 0 3 372.509 3.135 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000377044580 499656562 /nfs/dbraw/zinc/65/65/62/499656562.db2.gz HJZZKPLTKAQFMP-DQPZFDDXSA-N 0 3 362.436 3.137 20 30 FGEDHN COc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1OCCCC#N ZINC000377230986 499672381 /nfs/dbraw/zinc/67/23/81/499672381.db2.gz HPOYMHVIBXYFPE-UHFFFAOYSA-N 0 3 354.454 3.480 20 30 FGEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000411252326 499717363 /nfs/dbraw/zinc/71/73/63/499717363.db2.gz BLKWLPRHHMLEKJ-KRWDZBQOSA-N 0 3 364.530 3.245 20 30 FGEDHN COC(=O)c1ccnc(N2CCCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000377713091 499724366 /nfs/dbraw/zinc/72/43/66/499724366.db2.gz RXGQDHRJOXEDBF-MRXNPFEDSA-N 0 3 364.449 3.013 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000377755351 499728822 /nfs/dbraw/zinc/72/88/22/499728822.db2.gz FVKLIPDEPACWSE-CXAGYDPISA-N 0 3 373.478 3.169 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](n3ccnc3C(C)C)C2)CC1 ZINC000377788611 499733705 /nfs/dbraw/zinc/73/37/05/499733705.db2.gz XKZZKULEJIVRBM-IBGZPJMESA-N 0 3 373.545 3.394 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000414131198 499763379 /nfs/dbraw/zinc/76/33/79/499763379.db2.gz KLMKJSNFPHXGDF-GBESFXJTSA-N 0 3 369.509 3.231 20 30 FGEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000411736763 499784599 /nfs/dbraw/zinc/78/45/99/499784599.db2.gz NJDNHPOFGAQYKM-GOSISDBHSA-N 0 3 357.479 3.298 20 30 FGEDHN CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000412194234 499832558 /nfs/dbraw/zinc/83/25/58/499832558.db2.gz PINMOXSBMKYJFA-BHIFYINESA-N 0 3 359.473 3.395 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415158801 499871635 /nfs/dbraw/zinc/87/16/35/499871635.db2.gz IWXPSGBAYHWPOE-SMDDNHRTSA-N 0 3 354.426 3.200 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415564823 499902678 /nfs/dbraw/zinc/90/26/78/499902678.db2.gz IDRVOHNEZSRLIY-KRWDZBQOSA-N 0 3 351.454 3.123 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415805926 499919737 /nfs/dbraw/zinc/91/97/37/499919737.db2.gz OIQDNDWTUGWADY-VXGBXAGGSA-N 0 3 368.275 3.228 20 30 FGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)N(C)C ZINC000413339408 499943031 /nfs/dbraw/zinc/94/30/31/499943031.db2.gz KWHBTFYISPLQGW-UXHICEINSA-N 0 3 351.450 3.287 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000413346791 499943495 /nfs/dbraw/zinc/94/34/95/499943495.db2.gz XDZXLBMIRPIOLR-NRFANRHFSA-N 0 3 373.541 3.362 20 30 FGEDHN N#C[C@H](NC(=O)CCN1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000416150522 499959399 /nfs/dbraw/zinc/95/93/99/499959399.db2.gz KKTJSPCKFRXXLT-IBGZPJMESA-N 0 3 353.853 3.469 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)C1CCC(O)CC1)C(C)C ZINC000416162468 499964719 /nfs/dbraw/zinc/96/47/19/499964719.db2.gz VGNVWEIDTHOXDP-ACBHZAAOSA-N 0 3 350.547 3.379 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000425016645 499994815 /nfs/dbraw/zinc/99/48/15/499994815.db2.gz WYNQKKYIONZZRH-MYDTUXCISA-N 0 3 371.484 3.395 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000416266534 500001262 /nfs/dbraw/zinc/00/12/62/500001262.db2.gz ZTEAOKHNRSSTDK-QZTJIDSGSA-N 0 3 350.418 3.105 20 30 FGEDHN N#Cc1ccc(CNCCCNc2ccc(C(F)(F)F)cn2)cc1F ZINC000421336035 500020419 /nfs/dbraw/zinc/02/04/19/500020419.db2.gz VJDNFJKPZJDYSN-UHFFFAOYSA-N 0 3 352.335 3.125 20 30 FGEDHN C=C(C)CNC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000429314619 500050201 /nfs/dbraw/zinc/05/02/01/500050201.db2.gz DAYRXVBKNCEZKQ-GOSISDBHSA-N 0 3 353.470 3.336 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000425269277 500061021 /nfs/dbraw/zinc/06/10/21/500061021.db2.gz QMBMPQUFBYQVSJ-RBUKOAKNSA-N 0 3 362.433 3.425 20 30 FGEDHN CC(C)(CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N1CCCCC1 ZINC000416680464 500084552 /nfs/dbraw/zinc/08/45/52/500084552.db2.gz IDVJKBMMGADSMB-LJQANCHMSA-N 0 3 354.498 3.499 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429706513 500127677 /nfs/dbraw/zinc/12/76/77/500127677.db2.gz DBIWAMGZRFOURH-KRWDZBQOSA-N 0 3 365.481 3.068 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1Cl ZINC000429708560 500128921 /nfs/dbraw/zinc/12/89/21/500128921.db2.gz MZKUJCNNFBKXDB-ZTFGCOKTSA-N 0 3 359.857 3.087 20 30 FGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000429715692 500129281 /nfs/dbraw/zinc/12/92/81/500129281.db2.gz NUZJKUNSZYEIFL-CQSZACIVSA-N 0 3 368.319 3.216 20 30 FGEDHN CCO[C@H]1C[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C12CCCCC2 ZINC000429776191 500142729 /nfs/dbraw/zinc/14/27/29/500142729.db2.gz RRWAWPFLVROIMK-ROUUACIJSA-N 0 3 361.530 3.389 20 30 FGEDHN COc1cc(NC(=O)NCC(C)(C)CCC#N)ccc1OCCN(C)C ZINC000417675170 500146300 /nfs/dbraw/zinc/14/63/00/500146300.db2.gz BHPOAOLKQSIDTJ-UHFFFAOYSA-N 0 3 362.474 3.087 20 30 FGEDHN Cn1cc(CNCC2(CC#N)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000430066184 500187968 /nfs/dbraw/zinc/18/79/68/500187968.db2.gz OUEIYYFDDHQTAE-UHFFFAOYSA-N 0 3 352.438 3.032 20 30 FGEDHN CN(C)C1(CNC(=O)Nc2ccc(C#N)cc2Cl)Cc2ccccc2C1 ZINC000426149510 500241672 /nfs/dbraw/zinc/24/16/72/500241672.db2.gz NRKUKECBDUTLNM-UHFFFAOYSA-N 0 3 368.868 3.432 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2c(F)cc(F)c(F)c2F)cc1 ZINC000430807168 500288441 /nfs/dbraw/zinc/28/84/41/500288441.db2.gz OZPRMBWFNUGLRQ-GFCCVEGCSA-N 0 3 361.298 3.113 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426591601 500292298 /nfs/dbraw/zinc/29/22/98/500292298.db2.gz SAQCNPMAAUDGOK-KRWDZBQOSA-N 0 3 364.440 3.209 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](N)c1ccccc1CC ZINC000418658153 500302224 /nfs/dbraw/zinc/30/22/24/500302224.db2.gz VNHNBLSSFJMNOO-FQEVSTJZSA-N 0 3 371.481 3.122 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1COc1cccnc1C ZINC000419387678 500360109 /nfs/dbraw/zinc/36/01/09/500360109.db2.gz CPOGSMWYZPRBFG-GOSISDBHSA-N 0 3 367.449 3.193 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)nc(C)n1 ZINC000420237656 500427602 /nfs/dbraw/zinc/42/76/02/500427602.db2.gz JSCUYHXOPNXWGM-CQSZACIVSA-N 0 3 354.366 3.279 20 30 FGEDHN COc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)c2ccc(F)cc2)cc1 ZINC000424097700 500452401 /nfs/dbraw/zinc/45/24/01/500452401.db2.gz BHGLNJMSYUNOFE-RBUKOAKNSA-N 0 3 355.413 3.061 20 30 FGEDHN COc1cc([C@@H](C)NC(=O)[C@H](N)CCCC#N)ccc1OC1CCCC1 ZINC000424100204 500453004 /nfs/dbraw/zinc/45/30/04/500453004.db2.gz NILOKARTWSJALQ-RHSMWYFYSA-N 0 3 359.470 3.215 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000424107568 500454746 /nfs/dbraw/zinc/45/47/46/500454746.db2.gz ZEPPXQHWUAWQJO-HNNXBMFYSA-N 0 3 368.250 3.100 20 30 FGEDHN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424115307 500456529 /nfs/dbraw/zinc/45/65/29/500456529.db2.gz ABFOWSOXNTVEON-VAMGGRTRSA-N 0 3 373.497 3.303 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000424144244 500459976 /nfs/dbraw/zinc/45/99/76/500459976.db2.gz KVVNJIHQFMGSTN-IBGZPJMESA-N 0 3 362.477 3.451 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000432062277 500462190 /nfs/dbraw/zinc/46/21/90/500462190.db2.gz OYYBUTVVHPSOGA-SFHVURJKSA-N 0 3 368.506 3.253 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000424179180 500463846 /nfs/dbraw/zinc/46/38/46/500463846.db2.gz YJKQPRUJXIKWPP-MRXNPFEDSA-N 0 3 364.287 3.176 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000424500419 500511805 /nfs/dbraw/zinc/51/18/05/500511805.db2.gz ITKGDADIXGUGOG-RTWAWAEBSA-N 0 3 356.510 3.135 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc(C#N)s1 ZINC000420891870 500523578 /nfs/dbraw/zinc/52/35/78/500523578.db2.gz SRZDQXFVUFOYJK-UHFFFAOYSA-N 0 3 356.495 3.413 20 30 FGEDHN Cc1cccc(C)c1OCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428806159 500559773 /nfs/dbraw/zinc/55/97/73/500559773.db2.gz KBZDYRRZSVTSMX-LJQANCHMSA-N 0 3 351.450 3.492 20 30 FGEDHN N#CCCC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000433013909 500607220 /nfs/dbraw/zinc/60/72/20/500607220.db2.gz PXQKOEVNHBOAJI-HXUWFJFHSA-N 0 3 367.474 3.357 20 30 FGEDHN COC(=O)c1ccccc1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433021910 500607776 /nfs/dbraw/zinc/60/77/76/500607776.db2.gz ZLLQGGFHSPTCFK-SFHVURJKSA-N 0 3 365.433 3.436 20 30 FGEDHN N#CCCC[C@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433021773 500607993 /nfs/dbraw/zinc/60/79/93/500607993.db2.gz HRKSGMIKEAFBQP-SFHVURJKSA-N 0 3 365.433 3.421 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)NCC(=O)c1cccs1)c1ccccc1 ZINC000433023408 500608635 /nfs/dbraw/zinc/60/86/35/500608635.db2.gz PRFUVYFNKHBAIM-MRXNPFEDSA-N 0 3 355.463 3.072 20 30 FGEDHN N#CCCC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000433025835 500608649 /nfs/dbraw/zinc/60/86/49/500608649.db2.gz BFNMJWBLEORENA-FQEVSTJZSA-N 0 3 367.474 3.357 20 30 FGEDHN COc1cc(CNC(=O)C(C#N)CCc2ccccc2)cc(OC)c1OC ZINC000433146533 500634795 /nfs/dbraw/zinc/63/47/95/500634795.db2.gz VUVMIOZIUKBXPD-QGZVFWFLSA-N 0 3 368.433 3.101 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCOC[C@H]2C)c1C#N ZINC000433166847 500638371 /nfs/dbraw/zinc/63/83/71/500638371.db2.gz HDFPRRVPUBZOOS-FZKQIMNGSA-N 0 3 358.486 3.045 20 30 FGEDHN COC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCCO1 ZINC000433187493 500641462 /nfs/dbraw/zinc/64/14/62/500641462.db2.gz AHCZXBNMRRCJMO-FGZHOGPDSA-N 0 3 366.461 3.421 20 30 FGEDHN COc1cc(CN2CC[C@H](C)[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000442893239 500642038 /nfs/dbraw/zinc/64/20/38/500642038.db2.gz XBZKCENVMMPFJV-JXFKEZNVSA-N 0 3 366.461 3.349 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000433222998 500650169 /nfs/dbraw/zinc/65/01/69/500650169.db2.gz ZFIIBWPXBKKMLI-RHSMWYFYSA-N 0 3 350.422 3.127 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000433225762 500650377 /nfs/dbraw/zinc/65/03/77/500650377.db2.gz JXZRJIUCPPTOCY-OAQYLSRUSA-N 0 3 358.445 3.320 20 30 FGEDHN C=CCN1CC[C@@H](N2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000433296650 500664571 /nfs/dbraw/zinc/66/45/71/500664571.db2.gz SVMNQRPJTNQWCF-NVXWUHKLSA-N 0 3 363.299 3.100 20 30 FGEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443095857 500678879 /nfs/dbraw/zinc/67/88/79/500678879.db2.gz PERKCADBLGFXKY-UHFFFAOYSA-N 0 3 371.934 3.200 20 30 FGEDHN CCCCNC(=O)C1(NC(=O)C(C#N)CCc2ccccc2)CCCCC1 ZINC000433356187 500679732 /nfs/dbraw/zinc/67/97/32/500679732.db2.gz RJBUAKWVVZYHAI-IBGZPJMESA-N 0 3 369.509 3.494 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433371009 500682819 /nfs/dbraw/zinc/68/28/19/500682819.db2.gz KDLPCKBQEVUGQJ-COPCDDAFSA-N 0 3 361.489 3.396 20 30 FGEDHN CCC[C@@]1(COC)CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447880594 500684437 /nfs/dbraw/zinc/68/44/37/500684437.db2.gz VPXSFVGRSVBUNS-FPOVZHCZSA-N 0 3 355.482 3.335 20 30 FGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000448068227 500714704 /nfs/dbraw/zinc/71/47/04/500714704.db2.gz USGCGNBDKOZWRF-INIZCTEOSA-N 0 3 359.474 3.006 20 30 FGEDHN CCN(CC)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1ccco1 ZINC000443518767 500733462 /nfs/dbraw/zinc/73/34/62/500733462.db2.gz TVGUHIMARDJBLJ-AWEZNQCLSA-N 0 3 352.360 3.482 20 30 FGEDHN CN(C(=O)Cc1ccc(C#N)cc1)c1ccc(OCCN2CCCC2)cc1 ZINC000434182766 500807877 /nfs/dbraw/zinc/80/78/77/500807877.db2.gz LLCYDZVEBOHZDJ-UHFFFAOYSA-N 0 3 363.461 3.238 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccncc2s1 ZINC000448815603 500842331 /nfs/dbraw/zinc/84/23/31/500842331.db2.gz GPROKUQDZBLRTE-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C1(CC)CC ZINC000434862280 500903314 /nfs/dbraw/zinc/90/33/14/500903314.db2.gz REOSARPBFNJAHY-ARFHVFGLSA-N 0 3 361.511 3.298 20 30 FGEDHN N#Cc1cccc(C2(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC2)c1 ZINC000435020236 500923033 /nfs/dbraw/zinc/92/30/33/500923033.db2.gz INBIIKPJBLZWBV-OAQYLSRUSA-N 0 3 359.473 3.371 20 30 FGEDHN C=CC[C@H]1N(C(=O)NCc2ccnc(OCCN(C)C)c2)CCCC1(C)C ZINC000445226506 500957245 /nfs/dbraw/zinc/95/72/45/500957245.db2.gz UIRGQUWVIHPNKF-GOSISDBHSA-N 0 3 374.529 3.298 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1C#N ZINC000435549673 500991211 /nfs/dbraw/zinc/99/12/11/500991211.db2.gz BNAUJHNQEYAYHU-SFHVURJKSA-N 0 3 356.470 3.438 20 30 FGEDHN CS[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1N1CCCC1 ZINC000445609020 501010500 /nfs/dbraw/zinc/01/05/00/501010500.db2.gz QLSDVRZQTNBHRB-IRXDYDNUSA-N 0 3 374.460 3.401 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000449550356 501030713 /nfs/dbraw/zinc/03/07/13/501030713.db2.gz CTGAQZIWIMSFIT-SBHAEUEKSA-N 0 3 364.493 3.447 20 30 FGEDHN COc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1OCCCC#N ZINC000449556328 501032718 /nfs/dbraw/zinc/03/27/18/501032718.db2.gz SCFJUDOGCIWGKI-QRVBRYPASA-N 0 3 358.482 3.361 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@]3(CCOC3)C2)c(-c2ccccc2)n1 ZINC000449688418 501062946 /nfs/dbraw/zinc/06/29/46/501062946.db2.gz UZKQJGPKDRCKNB-NRFANRHFSA-N 0 3 350.466 3.466 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(N2CCCC2)ccn1)C(C)C ZINC000446041887 501065629 /nfs/dbraw/zinc/06/56/29/501065629.db2.gz KVGIABDRDBHJPQ-FQEVSTJZSA-N 0 3 356.514 3.110 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000588206832 506234318 /nfs/dbraw/zinc/23/43/18/506234318.db2.gz MZMLOKVSESYSQV-SJLPKXTDSA-N 0 3 366.868 3.370 20 30 FGEDHN C=CCC1(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)CCCCC1 ZINC000450590582 501162511 /nfs/dbraw/zinc/16/25/11/501162511.db2.gz DVSALNFODIQMHC-UHFFFAOYSA-N 0 3 361.574 3.389 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C12CCCC2 ZINC000582467721 506239285 /nfs/dbraw/zinc/23/92/85/506239285.db2.gz LTBIGVKNKIYNIM-XOKHGSTOSA-N 0 3 359.470 3.423 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCO[C@H](C)C1 ZINC000447113925 501205667 /nfs/dbraw/zinc/20/56/67/501205667.db2.gz NRBPVXBOXGWRIO-IAGOWNOFSA-N 0 3 364.559 3.400 20 30 FGEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000451134597 501247534 /nfs/dbraw/zinc/24/75/34/501247534.db2.gz JBOHKUJNPNCGNT-SJXGUFTOSA-N 0 3 356.388 3.349 20 30 FGEDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ncc1C#N ZINC000457586397 501263796 /nfs/dbraw/zinc/26/37/96/501263796.db2.gz VHORHCKZVYTCOK-FXAWDEMLSA-N 0 3 362.477 3.387 20 30 FGEDHN CC(C)(CNC(=O)N1CCc2c(CC#N)cccc2C1)N1CCCCC1 ZINC000598956364 506243406 /nfs/dbraw/zinc/24/34/06/506243406.db2.gz BIGNEKGCTJWAHW-UHFFFAOYSA-N 0 3 354.498 3.085 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414301 501287601 /nfs/dbraw/zinc/28/76/01/501287601.db2.gz HYHSUFUBWWGYCV-XLNTUCKNSA-N 0 3 373.472 3.086 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451419109 501288754 /nfs/dbraw/zinc/28/87/54/501288754.db2.gz NEBWYLDBRHWNDN-DGCUDZEOSA-N 0 3 361.873 3.164 20 30 FGEDHN CO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000451550992 501320596 /nfs/dbraw/zinc/32/05/96/501320596.db2.gz VUEHXXNRIZYPPM-CJNGLKHVSA-N 0 3 361.511 3.184 20 30 FGEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000451588474 501331306 /nfs/dbraw/zinc/33/13/06/501331306.db2.gz FQTFGYKOZNDDIM-HIFRSBDPSA-N 0 3 351.244 3.142 20 30 FGEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000453433266 501331492 /nfs/dbraw/zinc/33/14/92/501331492.db2.gz CSCLTEMOXIMULX-GOSISDBHSA-N 0 3 359.518 3.018 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c(C#N)c1C ZINC000451603664 501335291 /nfs/dbraw/zinc/33/52/91/501335291.db2.gz XNRZISBPPHRQGR-RDJZCZTQSA-N 0 3 351.516 3.054 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccc(Br)cc2n1C ZINC000451685696 501350334 /nfs/dbraw/zinc/35/03/34/501350334.db2.gz XXIIPSGIBCUPEJ-HIFRSBDPSA-N 0 3 350.260 3.159 20 30 FGEDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000451727364 501361470 /nfs/dbraw/zinc/36/14/70/501361470.db2.gz ZCPMSWIFQMYMSD-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN N#Cc1cc(Cl)cc(Br)c1NCCCN1CCC(O)CC1 ZINC000596085099 506248365 /nfs/dbraw/zinc/24/83/65/506248365.db2.gz IPVPUIPFOFCITB-UHFFFAOYSA-N 0 3 372.694 3.233 20 30 FGEDHN N#Cc1cccc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)n1 ZINC000602653619 506248568 /nfs/dbraw/zinc/24/85/68/506248568.db2.gz HZFCXKHYEOFEFH-SFHVURJKSA-N 0 3 361.367 3.463 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@@H]2C1 ZINC000455773316 501383285 /nfs/dbraw/zinc/38/32/85/501383285.db2.gz PLWCXYMKSTXGAZ-WMLDXEAASA-N 0 3 356.470 3.293 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CN1Cc1ccccc1 ZINC000455778005 501384027 /nfs/dbraw/zinc/38/40/27/501384027.db2.gz GFWIMOYXYXMCQI-CZUORRHYSA-N 0 3 369.856 3.391 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CC#N)c1 ZINC000455919590 501415716 /nfs/dbraw/zinc/41/57/16/501415716.db2.gz MIRAOGHQZLOPMZ-UHFFFAOYSA-N 0 3 354.429 3.487 20 30 FGEDHN N#CCc1cccc(NC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000455921930 501416159 /nfs/dbraw/zinc/41/61/59/501416159.db2.gz QDQFRUXJBPBIQV-UHFFFAOYSA-N 0 3 358.511 3.236 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458331192 501421425 /nfs/dbraw/zinc/42/14/25/501421425.db2.gz ZOUPWKVVWYVCTF-AWEZNQCLSA-N 0 3 371.412 3.044 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](COC)CC1 ZINC000452104166 501435802 /nfs/dbraw/zinc/43/58/02/501435802.db2.gz NBJIGKXPJHWOPB-SJORKVTESA-N 0 3 350.528 3.400 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000454345978 501519699 /nfs/dbraw/zinc/51/96/99/501519699.db2.gz XHFYLUQVALSPDX-IBGZPJMESA-N 0 3 366.440 3.161 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000456427079 501523831 /nfs/dbraw/zinc/52/38/31/501523831.db2.gz KRAUTZBNGUGIBX-GDBMZVCRSA-N 0 3 369.346 3.462 20 30 FGEDHN Cc1cccc2c1C[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)CO2 ZINC000598987718 506264302 /nfs/dbraw/zinc/26/43/02/506264302.db2.gz UWIJWNUILXRASE-LJQANCHMSA-N 0 3 373.460 3.261 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1F ZINC000598993480 506266747 /nfs/dbraw/zinc/26/67/47/506266747.db2.gz CLHHGMMZIXLGDA-GOSISDBHSA-N 0 3 359.832 3.346 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C1 ZINC000459459004 501657384 /nfs/dbraw/zinc/65/73/84/501657384.db2.gz HQRGFCBVQPWTJT-IXDOHACOSA-N 0 3 374.554 3.434 20 30 FGEDHN COc1ccc(CN2CCN(c3ccnc4ccccc43)CC2)cc1C#N ZINC000459479616 501660692 /nfs/dbraw/zinc/66/06/92/501660692.db2.gz KFBADZCMGHMOLO-UHFFFAOYSA-N 0 3 358.445 3.437 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459511551 501666821 /nfs/dbraw/zinc/66/68/21/501666821.db2.gz MFGUUTMOZAIBDN-KRWDZBQOSA-N 0 3 364.449 3.420 20 30 FGEDHN CC[C@H](CNC(=O)Nc1snc(C)c1C#N)N1CCc2ccccc2C1 ZINC000459552482 501675176 /nfs/dbraw/zinc/67/51/76/501675176.db2.gz UHPWBDDPWCGMET-MRXNPFEDSA-N 0 3 369.494 3.282 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H](C)c2cncc(F)c2)c(OC)c1 ZINC000459626145 501689062 /nfs/dbraw/zinc/68/90/62/501689062.db2.gz ZANQPPJDAWHZOM-KBXCAEBGSA-N 0 3 360.429 3.048 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000457389641 501692248 /nfs/dbraw/zinc/69/22/48/501692248.db2.gz RFAYYJABCKEYJR-TZIWHRDSSA-N 0 3 371.525 3.447 20 30 FGEDHN N#Cc1nc(NCc2ccc(OCCN3CCCC3)cc2)sc1Cl ZINC000596120395 506268094 /nfs/dbraw/zinc/26/80/94/506268094.db2.gz DQSCSGUZSYXZPA-UHFFFAOYSA-N 0 3 362.886 3.177 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000596126260 506270366 /nfs/dbraw/zinc/27/03/66/506270366.db2.gz LMDYHQWYJFUIQN-NRFANRHFSA-N 0 3 362.477 3.017 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2nc3ccccc3s2)cc1 ZINC000470738859 501787453 /nfs/dbraw/zinc/78/74/53/501787453.db2.gz XVWVXWYHANDYAZ-INIZCTEOSA-N 0 3 360.442 3.209 20 30 FGEDHN CN(CCOc1ccc(Cl)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470754152 501791508 /nfs/dbraw/zinc/79/15/08/501791508.db2.gz HYJZVEKVQDSUDD-KRWDZBQOSA-N 0 3 367.836 3.431 20 30 FGEDHN CN1CCO[C@@H]([C@@H](NCCc2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000467435408 501793350 /nfs/dbraw/zinc/79/33/50/501793350.db2.gz YCNLYMITONNIOM-RTWAWAEBSA-N 0 3 369.896 3.416 20 30 FGEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470845969 501826767 /nfs/dbraw/zinc/82/67/67/501826767.db2.gz XZSMGDDCTCNPSE-HNNXBMFYSA-N 0 3 370.497 3.375 20 30 FGEDHN CS(=O)(=O)Nc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481651068 501840309 /nfs/dbraw/zinc/84/03/09/501840309.db2.gz CSRAAGZJXQLVLL-HXUWFJFHSA-N 0 3 369.490 3.487 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(c3ccccc3)CC2)cc1 ZINC000470892257 501844207 /nfs/dbraw/zinc/84/42/07/501844207.db2.gz QPUPQFIKMGZDCQ-LJQANCHMSA-N 0 3 358.445 3.026 20 30 FGEDHN COc1cccc(F)c1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470971458 501877738 /nfs/dbraw/zinc/87/77/38/501877738.db2.gz YSYBRBVTMKNIMS-XJKSGUPXSA-N 0 3 351.381 3.266 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2SCCc3ccccc32)cc1 ZINC000470981449 501881614 /nfs/dbraw/zinc/88/16/14/501881614.db2.gz FXXADDVLQQTWPJ-ICSRJNTNSA-N 0 3 361.470 3.387 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1)c1ccccc1 ZINC000481807125 501889718 /nfs/dbraw/zinc/88/97/18/501889718.db2.gz OEEZKSKZLBCTLX-BJLQDIEVSA-N 0 3 371.525 3.047 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCCN(CC)CC1 ZINC000460771172 501917253 /nfs/dbraw/zinc/91/72/53/501917253.db2.gz NQWXULDMTDBCQE-UHFFFAOYSA-N 0 3 357.477 3.116 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1nc2ncccc2cc1C#N ZINC000596157750 506284772 /nfs/dbraw/zinc/28/47/72/506284772.db2.gz DPHQNNLDGKELEL-UHFFFAOYSA-N 0 3 367.403 3.348 20 30 FGEDHN C[C@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000471244154 501966716 /nfs/dbraw/zinc/96/67/16/501966716.db2.gz LXORMIXFQGPZNI-PXNSSMCTSA-N 0 3 362.477 3.441 20 30 FGEDHN C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000482162055 501993441 /nfs/dbraw/zinc/99/34/41/501993441.db2.gz FXWFFSLGPDXGBU-QGZVFWFLSA-N 0 3 365.477 3.352 20 30 FGEDHN CN(CCCNC(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1ccccc1 ZINC000468506246 502084677 /nfs/dbraw/zinc/08/46/77/502084677.db2.gz RQTRKZPHGRYAMX-UHFFFAOYSA-N 0 3 374.444 3.465 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464836259 502112306 /nfs/dbraw/zinc/11/23/06/502112306.db2.gz WECIYNOYQRQPFQ-WOJBJXKFSA-N 0 3 355.526 3.172 20 30 FGEDHN C[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1cccc(C#N)c1 ZINC000486563212 502191504 /nfs/dbraw/zinc/19/15/04/502191504.db2.gz NLGBZZMWUVKGLN-MRXNPFEDSA-N 0 3 363.461 3.257 20 30 FGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468878807 502216534 /nfs/dbraw/zinc/21/65/34/502216534.db2.gz GMVBDPHHTFDTQN-GJZGRUSLSA-N 0 3 352.438 3.063 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000461955867 502252007 /nfs/dbraw/zinc/25/20/07/502252007.db2.gz IYAYOYZEWICYTE-HOJAQTOUSA-N 0 3 368.525 3.451 20 30 FGEDHN CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CCC1 ZINC000483137186 502286502 /nfs/dbraw/zinc/28/65/02/502286502.db2.gz UBAMIFOTQPCVAA-UHFFFAOYSA-N 0 3 352.400 3.295 20 30 FGEDHN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472331743 502319127 /nfs/dbraw/zinc/31/91/27/502319127.db2.gz YDMMFZXYIZWUMR-KBXCAEBGSA-N 0 3 363.392 3.157 20 30 FGEDHN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472331746 502319277 /nfs/dbraw/zinc/31/92/77/502319277.db2.gz YDMMFZXYIZWUMR-RDTXWAMCSA-N 0 3 363.392 3.157 20 30 FGEDHN C[C@H](NCC1(OCCO)CCC(F)(F)CC1)c1ccc(C#N)cc1F ZINC000599066459 506306257 /nfs/dbraw/zinc/30/62/57/506306257.db2.gz SCGRPYXWTBKYCH-ZDUSSCGKSA-N 0 3 356.388 3.305 20 30 FGEDHN C=CCCC1(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000475915755 502331581 /nfs/dbraw/zinc/33/15/81/502331581.db2.gz CPVMHVQEQRONHI-UHFFFAOYSA-N 0 3 355.482 3.197 20 30 FGEDHN C[C@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)c1ccc(C#N)cc1 ZINC000465652884 502336461 /nfs/dbraw/zinc/33/64/61/502336461.db2.gz IAMGONCGUBSYAL-INIZCTEOSA-N 0 3 362.477 3.018 20 30 FGEDHN Cc1ccc(C2=CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000472480476 502364599 /nfs/dbraw/zinc/36/45/99/502364599.db2.gz ZCMDPVVIMRNJGK-OAQYLSRUSA-N 0 3 356.429 3.260 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465743518 502365932 /nfs/dbraw/zinc/36/59/32/502365932.db2.gz CESONPFTBZAZRX-KXBFYZLASA-N 0 3 366.440 3.332 20 30 FGEDHN Cn1cc(CNCCn2cnc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000479922308 502419840 /nfs/dbraw/zinc/41/98/40/502419840.db2.gz JXODHKUXLZGEIH-UHFFFAOYSA-N 0 3 356.433 3.098 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@H](CC#N)C2)N2CCCC2)cc1 ZINC000596216147 506314150 /nfs/dbraw/zinc/31/41/50/506314150.db2.gz KFLYMGYFZIEKPY-QUCCMNQESA-N 0 3 354.498 3.467 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3nnc(C4CCC4)n3c2)CC1 ZINC000476368868 502470782 /nfs/dbraw/zinc/47/07/82/502470782.db2.gz XHCYJCMDXPIRQZ-UHFFFAOYSA-N 0 3 368.485 3.159 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000476457030 502493674 /nfs/dbraw/zinc/49/36/74/502493674.db2.gz JVDSUWYRCFDRGB-KRWDZBQOSA-N 0 3 367.415 3.231 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](CSC)C1)C(C)C ZINC000487835666 502542917 /nfs/dbraw/zinc/54/29/17/502542917.db2.gz LVAAUASCDZKGOW-ROUUACIJSA-N 0 3 353.576 3.470 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc(CN(C)C)c1 ZINC000480572019 502607691 /nfs/dbraw/zinc/60/76/91/502607691.db2.gz QSINMARQRRUESH-UHFFFAOYSA-N 0 3 371.481 3.121 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000588746275 506324677 /nfs/dbraw/zinc/32/46/77/506324677.db2.gz BGBBWJGRHRIORV-UFYCRDLUSA-N 0 3 354.498 3.342 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000592996262 506325864 /nfs/dbraw/zinc/32/58/64/506325864.db2.gz BFZVWFDMTPRXOZ-UHFFFAOYSA-N 0 3 350.422 3.174 20 30 FGEDHN COc1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1C#N ZINC000463026363 502665199 /nfs/dbraw/zinc/66/51/99/502665199.db2.gz XIYDDGUSYKITBD-QFIPXVFZSA-N 0 3 350.462 3.384 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1OC ZINC000463042202 502673307 /nfs/dbraw/zinc/67/33/07/502673307.db2.gz IVYLNDSRFVNLON-INIZCTEOSA-N 0 3 370.424 3.294 20 30 FGEDHN COCc1cccc(OCC2(CN3C[C@@H](C)N(CC#N)[C@@H](C)C3)CCC2)c1 ZINC000602853778 506327752 /nfs/dbraw/zinc/32/77/52/506327752.db2.gz LSULTMDXDQXAOH-KDURUIRLSA-N 0 3 371.525 3.300 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)N(C)C)cc1 ZINC000588753725 506328141 /nfs/dbraw/zinc/32/81/41/506328141.db2.gz ZAHGBZSFAZLQKO-PZJWPPBQSA-N 0 3 372.513 3.412 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000470163077 502686738 /nfs/dbraw/zinc/68/67/38/502686738.db2.gz JKUJYDGUOUBJIX-LJQANCHMSA-N 0 3 355.482 3.240 20 30 FGEDHN C=CCn1cccc1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000488401931 502705171 /nfs/dbraw/zinc/70/51/71/502705171.db2.gz VXLWWOOKJUBKRN-SFHVURJKSA-N 0 3 365.477 3.392 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000480998242 502723808 /nfs/dbraw/zinc/72/38/08/502723808.db2.gz LHOMPKBOTDHNKD-JEBQAFNWSA-N 0 3 369.446 3.050 20 30 FGEDHN C=CCOc1ccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)cc1Cl ZINC000484731580 502724002 /nfs/dbraw/zinc/72/40/02/502724002.db2.gz WOXBASVUKJXCBF-SFHVURJKSA-N 0 3 355.862 3.087 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCCC2CCOCC2)CC1 ZINC000463290560 502746923 /nfs/dbraw/zinc/74/69/23/502746923.db2.gz KRFBEWLSRDUEDA-UHFFFAOYSA-N 0 3 364.493 3.435 20 30 FGEDHN CC(C#N)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000470479042 502790242 /nfs/dbraw/zinc/79/02/42/502790242.db2.gz YQNMJUGJFGAOLU-GFCCVEGCSA-N 0 3 351.244 3.116 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCC[C@@H](COC)C1 ZINC000467119951 502793576 /nfs/dbraw/zinc/79/35/76/502793576.db2.gz MWFZVWQCPXFGPB-DLBZAZTESA-N 0 3 350.528 3.400 20 30 FGEDHN C=CCCCCNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000474097150 502807991 /nfs/dbraw/zinc/80/79/91/502807991.db2.gz OIIZVAGMDCJVJU-ROUUACIJSA-N 0 3 351.535 3.264 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488919322 502838617 /nfs/dbraw/zinc/83/86/17/502838617.db2.gz OYVBHOLCGFDCHM-QGZVFWFLSA-N 0 3 357.498 3.267 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000495453628 502842090 /nfs/dbraw/zinc/84/20/90/502842090.db2.gz DNTMDLNNYKWZTG-IRXDYDNUSA-N 0 3 363.502 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(CCc3ccccc3)n2)CC1 ZINC000500745225 502853037 /nfs/dbraw/zinc/85/30/37/502853037.db2.gz PDJWWDPCDCBLLO-UHFFFAOYSA-N 0 3 355.507 3.309 20 30 FGEDHN C=CCOc1ccccc1CN[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000509428481 502900372 /nfs/dbraw/zinc/90/03/72/502900372.db2.gz DMCBKWMVQBXPCB-LJQANCHMSA-N 0 3 366.461 3.021 20 30 FGEDHN C=CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000501107931 502941120 /nfs/dbraw/zinc/94/11/20/502941120.db2.gz DNUOEIIJPYUJQB-UHFFFAOYSA-N 0 3 364.405 3.483 20 30 FGEDHN C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H](c1ccccc1)N(C)C ZINC000505587598 502942372 /nfs/dbraw/zinc/94/23/72/502942372.db2.gz NICDZHHKNAQQIW-UQASEVPWSA-N 0 3 373.497 3.056 20 30 FGEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000505777610 502983954 /nfs/dbraw/zinc/98/39/54/502983954.db2.gz QKHXGAAIJJUZHT-LBPRGKRZSA-N 0 3 351.387 3.313 20 30 FGEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000513632424 502986287 /nfs/dbraw/zinc/98/62/87/502986287.db2.gz CFKKTPJFFNAEOY-QFIPXVFZSA-N 0 3 361.489 3.444 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N(C[C@@H](C)C#N)C3CC3)c(C)c2)CC1 ZINC000513769858 503020391 /nfs/dbraw/zinc/02/03/91/503020391.db2.gz QQOIHRZGHZMMFX-INIZCTEOSA-N 0 3 369.513 3.293 20 30 FGEDHN CC(C)CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000513885493 503042172 /nfs/dbraw/zinc/04/21/72/503042172.db2.gz RURVMKUCRFPFHH-UHFFFAOYSA-N 0 3 361.445 3.312 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000602918571 506350838 /nfs/dbraw/zinc/35/08/38/506350838.db2.gz SWOOWZLPLSCOEA-WKCGWZECSA-N 0 3 363.889 3.203 20 30 FGEDHN CN(C)C(=O)c1cccc(CNC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000514097023 503087110 /nfs/dbraw/zinc/08/71/10/503087110.db2.gz ZHLASAVIRKYHIZ-UHFFFAOYSA-N 0 3 362.477 3.019 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510544803 503140015 /nfs/dbraw/zinc/14/00/15/503140015.db2.gz JJNCKUIQKXABIJ-OXJNMPFZSA-N 0 3 353.466 3.376 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)C(C)C ZINC000498358778 503167339 /nfs/dbraw/zinc/16/73/39/503167339.db2.gz HMVWOLQLKHOSTA-HXUWFJFHSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000511014263 503235718 /nfs/dbraw/zinc/23/57/18/503235718.db2.gz RZASLOAFQZPJHF-OAHLLOKOSA-N 0 3 360.882 3.092 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc(I)cc2)C1 ZINC000511031364 503238242 /nfs/dbraw/zinc/23/82/42/503238242.db2.gz QKRRHGLHOHETEI-TZMCWYRMSA-N 0 3 370.234 3.342 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCCn2cc(C)nc21)C(C)C ZINC000502632662 503242322 /nfs/dbraw/zinc/24/23/22/503242322.db2.gz WLTZIHVFZQHQON-MOPGFXCFSA-N 0 3 373.545 3.067 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCCn2cc(C)nc21)C(C)C ZINC000502632665 503242601 /nfs/dbraw/zinc/24/26/01/503242601.db2.gz WLTZIHVFZQHQON-RTBURBONSA-N 0 3 373.545 3.067 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)ccc1C)C(C)C ZINC000515152327 503281451 /nfs/dbraw/zinc/28/14/51/503281451.db2.gz JMMWNBUOYQXFCS-IBGZPJMESA-N 0 3 357.498 3.057 20 30 FGEDHN Cc1cc(C(=O)N(CCN(C)C)c2ccccc2)nn1-c1cccc(C#N)c1 ZINC000502990915 503319664 /nfs/dbraw/zinc/31/96/64/503319664.db2.gz XMEDPODNAKJGSF-UHFFFAOYSA-N 0 3 373.460 3.261 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(Cc2nccs2)CC1 ZINC000602955728 506365408 /nfs/dbraw/zinc/36/54/08/506365408.db2.gz KSGUCVBMAIVPFR-UHFFFAOYSA-N 0 3 360.508 3.360 20 30 FGEDHN N#Cc1ccc(OCCN[C@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000503202475 503365644 /nfs/dbraw/zinc/36/56/44/503365644.db2.gz GHYRFOMFCBITGD-OAQYLSRUSA-N 0 3 359.429 3.130 20 30 FGEDHN Cc1ccccc1OC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507845954 503379146 /nfs/dbraw/zinc/37/91/46/503379146.db2.gz BFSNXOJPOONJNU-IBGZPJMESA-N 0 3 366.461 3.150 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503378725 503398087 /nfs/dbraw/zinc/39/80/87/503398087.db2.gz UDHWGCBGOFDYKL-QZTJIDSGSA-N 0 3 358.530 3.212 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511842359 503399113 /nfs/dbraw/zinc/39/91/13/503399113.db2.gz JYPMEJAIGFIHDX-HXUWFJFHSA-N 0 3 362.521 3.369 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000512205946 503486127 /nfs/dbraw/zinc/48/61/27/503486127.db2.gz XZIJYXIIOYXYHP-UHFFFAOYSA-N 0 3 365.452 3.095 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@]2(C)CCO[C@@H]2C)c1C#N ZINC000494234420 503509231 /nfs/dbraw/zinc/50/92/31/503509231.db2.gz PIPPIRVDKWXSKS-IERDGZPVSA-N 0 3 366.465 3.061 20 30 FGEDHN N#CCCCOc1cccc(CNCc2ccccc2Cn2cncn2)c1 ZINC000508727973 503552461 /nfs/dbraw/zinc/55/24/61/503552461.db2.gz AGJPGVMRYBGJQS-UHFFFAOYSA-N 0 3 361.449 3.299 20 30 FGEDHN COc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)ccc1OCCN(C)C ZINC000516633572 503556721 /nfs/dbraw/zinc/55/67/21/503556721.db2.gz SRDCHVSSARJEQP-UHFFFAOYSA-N 0 3 373.840 3.413 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nnc(C)o1 ZINC000512516094 503575022 /nfs/dbraw/zinc/57/50/22/503575022.db2.gz ZNUMLJKVXLGFGC-CYBMUJFWSA-N 0 3 362.503 3.037 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)SCC(=O)N2)C(C)C ZINC000516779658 503586744 /nfs/dbraw/zinc/58/67/44/503586744.db2.gz IUKSQWNLRAQMHB-KRWDZBQOSA-N 0 3 373.522 3.159 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](OCC3CC3)C2)cc1Cl ZINC000494686751 503592000 /nfs/dbraw/zinc/59/20/00/503592000.db2.gz AVVBYTAKIFWOHK-QGZVFWFLSA-N 0 3 361.873 3.431 20 30 FGEDHN COc1cc(C[C@@H](CO)CN[C@H](C)c2ccc(C#N)cc2F)cc(OC)c1 ZINC000512618929 503596104 /nfs/dbraw/zinc/59/61/04/503596104.db2.gz KMULZVSWYWBHIX-RHSMWYFYSA-N 0 3 372.440 3.216 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)CC1 ZINC000508921400 503600402 /nfs/dbraw/zinc/60/04/02/503600402.db2.gz YPJPSYUNAORDGO-UHFFFAOYSA-N 0 3 353.514 3.141 20 30 FGEDHN Cc1cccc(OC[C@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000509062914 503633237 /nfs/dbraw/zinc/63/32/37/503633237.db2.gz KGEWMMBCJMUXHM-LJQANCHMSA-N 0 3 366.461 3.150 20 30 FGEDHN N#Cc1cccc(NCC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000495078811 503661796 /nfs/dbraw/zinc/66/17/96/503661796.db2.gz LILWNPDTVZLVHL-NRFANRHFSA-N 0 3 362.477 3.141 20 30 FGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000543185429 503665518 /nfs/dbraw/zinc/66/55/18/503665518.db2.gz LVAYBXPTMJHAMY-INIZCTEOSA-N 0 3 363.461 3.261 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(Cn2cc(C)cn2)CC1 ZINC000532965019 503676841 /nfs/dbraw/zinc/67/68/41/503676841.db2.gz YUTHPNXGMYMJBL-OAQYLSRUSA-N 0 3 369.509 3.072 20 30 FGEDHN Cn1c2ccccc2nc1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000532964003 503676981 /nfs/dbraw/zinc/67/69/81/503676981.db2.gz OXLZVTBRMFAOTI-UHFFFAOYSA-N 0 3 359.477 3.200 20 30 FGEDHN Cn1ccnc1[C@H](NC1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000527100445 503679166 /nfs/dbraw/zinc/67/91/66/503679166.db2.gz OQWMCATZVMXRAJ-DAWZGUTISA-N 0 3 351.454 3.118 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000517304330 503709396 /nfs/dbraw/zinc/70/93/96/503709396.db2.gz IEWRIPQMNLQNMG-UHFFFAOYSA-N 0 3 356.388 3.398 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)CCOc2ccccc2Cl)CC1 ZINC000517321184 503714084 /nfs/dbraw/zinc/71/40/84/503714084.db2.gz ZJLPPBLKGNOOAS-UHFFFAOYSA-N 0 3 365.905 3.401 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C)(COC)CC1)C(C)C ZINC000540271330 503728291 /nfs/dbraw/zinc/72/82/91/503728291.db2.gz SXSUMKDCBPQGHS-GOSISDBHSA-N 0 3 351.535 3.143 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000517441791 503746733 /nfs/dbraw/zinc/74/67/33/503746733.db2.gz FZMBLKJHZUOENP-KUHUBIRLSA-N 0 3 352.413 3.339 20 30 FGEDHN C=CCCCCCN(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000540551923 503814394 /nfs/dbraw/zinc/81/43/94/503814394.db2.gz VEBFTQRGABPWAK-SFHVURJKSA-N 0 3 374.554 3.135 20 30 FGEDHN C[C@H](c1ccc(-c2ccc(F)c(C#N)c2)cc1)N1CCN(CCO)CC1 ZINC000527586743 503843090 /nfs/dbraw/zinc/84/30/90/503843090.db2.gz GLWQGAQJDOAKQW-MRXNPFEDSA-N 0 3 353.441 3.035 20 30 FGEDHN C=CCN(CC=C)C(=O)CN(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517901681 503863296 /nfs/dbraw/zinc/86/32/96/503863296.db2.gz RYHQEWKPWVPDLJ-FPOVZHCZSA-N 0 3 355.526 3.344 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1COc2ccc3ccccc3c2C1 ZINC000530235252 503885186 /nfs/dbraw/zinc/88/51/86/503885186.db2.gz GXEPEXBICJMIIT-RTBURBONSA-N 0 3 374.440 3.044 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1COc2ccc3ccccc3c2C1 ZINC000530235249 503885855 /nfs/dbraw/zinc/88/58/55/503885855.db2.gz GXEPEXBICJMIIT-RBUKOAKNSA-N 0 3 374.440 3.044 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000530240718 503889584 /nfs/dbraw/zinc/88/95/84/503889584.db2.gz GNMDQCZRBYTTCO-YLJYHZDGSA-N 0 3 356.853 3.423 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)CC1 ZINC000527730418 503919100 /nfs/dbraw/zinc/91/91/00/503919100.db2.gz OPNFTSMJPKHPIV-NZSAHSFTSA-N 0 3 359.901 3.318 20 30 FGEDHN CN(CCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000540925437 503941126 /nfs/dbraw/zinc/94/11/26/503941126.db2.gz NSOBYZGYCWLJSQ-MRXNPFEDSA-N 0 3 362.355 3.308 20 30 FGEDHN Cc1nn(-c2ccncc2)cc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527809258 503955075 /nfs/dbraw/zinc/95/50/75/503955075.db2.gz IZZOJZNWGDOZGI-UHFFFAOYSA-N 0 3 373.460 3.243 20 30 FGEDHN CC(C)(C)OC(=O)CCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000544070340 503995074 /nfs/dbraw/zinc/99/50/74/503995074.db2.gz SOGHMHBKNANZKR-UHFFFAOYSA-N 0 3 357.498 3.188 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccc(OC)cc3)CCC2)CC1 ZINC000544120756 504015187 /nfs/dbraw/zinc/01/51/87/504015187.db2.gz YHZWXSHGCUTFOE-UHFFFAOYSA-N 0 3 371.525 3.457 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CN1Cc1ccccc1 ZINC000518889950 504086842 /nfs/dbraw/zinc/08/68/42/504086842.db2.gz MDKCSMSXHQUIEX-USWSCHJFSA-N 0 3 354.498 3.279 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000519002421 504115856 /nfs/dbraw/zinc/11/58/56/504115856.db2.gz SFMHAJQYPWOVBA-CRAIPNDOSA-N 0 3 374.529 3.462 20 30 FGEDHN C=CC[C@H](CO)CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000538211797 504163644 /nfs/dbraw/zinc/16/36/44/504163644.db2.gz XLECBUCQIWUSAY-DLBZAZTESA-N 0 3 365.543 3.005 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000538236830 504172804 /nfs/dbraw/zinc/17/28/04/504172804.db2.gz AXTONDTVTGBNAB-UHFFFAOYSA-N 0 3 365.477 3.349 20 30 FGEDHN COc1cccc([C@@H]2CCCN2C[C@H](O)COc2ccccc2C#N)c1 ZINC000528335700 504174685 /nfs/dbraw/zinc/17/46/85/504174685.db2.gz DAABOWHQMIRFHB-ICSRJNTNSA-N 0 3 352.434 3.144 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](COCC(C)C)c2ccco2)CC1 ZINC000519282751 504182763 /nfs/dbraw/zinc/18/27/63/504182763.db2.gz NVSBMYYQNWKTGQ-GOSISDBHSA-N 0 3 363.502 3.333 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000538270279 504182991 /nfs/dbraw/zinc/18/29/91/504182991.db2.gz PJMJTSVZQFWOCT-AEFFLSMTSA-N 0 3 351.450 3.039 20 30 FGEDHN COc1ccccc1[C@@H]1CCCN1C[C@@H](O)COc1ccccc1C#N ZINC000528370164 504191784 /nfs/dbraw/zinc/19/17/84/504191784.db2.gz AIZJNNBQGQFSCK-MJGOQNOKSA-N 0 3 352.434 3.144 20 30 FGEDHN CC[C@H]1CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1O ZINC000534863996 504264264 /nfs/dbraw/zinc/26/42/64/504264264.db2.gz QGRPLEPHXTVGTL-PMACEKPBSA-N 0 3 366.461 3.349 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000541845640 504273679 /nfs/dbraw/zinc/27/36/79/504273679.db2.gz AMHLUUKEJDGGJB-LJQANCHMSA-N 0 3 353.466 3.144 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3c(OC)ccnc23)CC1 ZINC000535057829 504330419 /nfs/dbraw/zinc/33/04/19/504330419.db2.gz SMNQFKAKOOLMHK-UHFFFAOYSA-N 0 3 354.454 3.405 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528714449 504346378 /nfs/dbraw/zinc/34/63/78/504346378.db2.gz KEYCTVHKFWEMDS-UHFFFAOYSA-N 0 3 367.449 3.397 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc(C#N)s1 ZINC000538889916 504407530 /nfs/dbraw/zinc/40/75/30/504407530.db2.gz MICYGIHMIAAVQZ-UHFFFAOYSA-N 0 3 354.479 3.393 20 30 FGEDHN COc1ccc([C@@H](NCCOc2ccc(C#N)cc2OC)C2CC2)cn1 ZINC000528846751 504412317 /nfs/dbraw/zinc/41/23/17/504412317.db2.gz KGZVWDIZYIDISB-FQEVSTJZSA-N 0 3 353.422 3.090 20 30 FGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528915064 504447885 /nfs/dbraw/zinc/44/78/85/504447885.db2.gz DEGMOYIJUZAUJB-QRVBRYPASA-N 0 3 350.393 3.345 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1cnn(C2CC2)c1 ZINC000528916839 504449331 /nfs/dbraw/zinc/44/93/31/504449331.db2.gz FYWZULTUKWVXJZ-CYBMUJFWSA-N 0 3 372.812 3.150 20 30 FGEDHN COc1cc(CN(C)CC2(O)CCC2)ccc1OCc1cccc(C#N)c1 ZINC000545387680 504469306 /nfs/dbraw/zinc/46/93/06/504469306.db2.gz RHRDNLHACKUWRN-UHFFFAOYSA-N 0 3 366.461 3.493 20 30 FGEDHN CC1CCC(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C)CC2)CC1 ZINC000548849815 504591166 /nfs/dbraw/zinc/59/11/66/504591166.db2.gz KAROAIDLWPFJJC-UHFFFAOYSA-N 0 3 364.497 3.054 20 30 FGEDHN COC(=O)c1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000539505409 504592901 /nfs/dbraw/zinc/59/29/01/504592901.db2.gz ZFINPIRTTRAKTA-HNNXBMFYSA-N 0 3 371.412 3.144 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNc1nc(C(F)(F)F)nc2nc[nH]c21)C(C)C ZINC000536012749 504607592 /nfs/dbraw/zinc/60/75/92/504607592.db2.gz OSAWYIFWQWJNFK-LBPRGKRZSA-N 0 3 368.407 3.434 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cccc(-n4cccn4)c3)C2=O)cc1 ZINC000542800345 504614788 /nfs/dbraw/zinc/61/47/88/504614788.db2.gz AMMAKRNWEXVTGQ-NRFANRHFSA-N 0 3 371.444 3.029 20 30 FGEDHN Cc1csc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)c1C#N ZINC000521063021 504640849 /nfs/dbraw/zinc/64/08/49/504640849.db2.gz GWRLBHCCEMGHID-UHFFFAOYSA-N 0 3 354.479 3.149 20 30 FGEDHN C=CC[C@@H](CC)NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000539669186 504646152 /nfs/dbraw/zinc/64/61/52/504646152.db2.gz ACVLRGUGTWVWBZ-UXHICEINSA-N 0 3 358.530 3.019 20 30 FGEDHN CC(C#N)C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000536164359 504653820 /nfs/dbraw/zinc/65/38/20/504653820.db2.gz BBOUMOKDYVIWRB-HNNXBMFYSA-N 0 3 372.852 3.400 20 30 FGEDHN CC(C)(C)c1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cn21 ZINC000545979057 504663300 /nfs/dbraw/zinc/66/33/00/504663300.db2.gz FAEZDMVAWOFSQC-ZDUSSCGKSA-N 0 3 358.405 3.393 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@@H](OCC)[C@]23CCCO3)ccc1OC ZINC000546056738 504692174 /nfs/dbraw/zinc/69/21/74/504692174.db2.gz RIHKXWPVXIHPKE-NJYVYQBISA-N 0 3 361.482 3.466 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCC1(C#N)CC1 ZINC000562390537 504804004 /nfs/dbraw/zinc/80/40/04/504804004.db2.gz URNZGXOBHYFCMF-SFHVURJKSA-N 0 3 354.498 3.062 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cc2ccccc2n(C)c1=O ZINC000565175892 504817669 /nfs/dbraw/zinc/81/76/69/504817669.db2.gz XFGPLNNIIQNTHI-UHFFFAOYSA-N 0 3 361.445 3.059 20 30 FGEDHN N#Cc1cc(NC[C@@H]2CCCN2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000553107091 504829361 /nfs/dbraw/zinc/82/93/61/504829361.db2.gz IVVOWLVETOQXQT-KRWDZBQOSA-N 0 3 351.410 3.125 20 30 FGEDHN COC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(C#N)n1 ZINC000565229625 504830642 /nfs/dbraw/zinc/83/06/42/504830642.db2.gz NCRNAWZMCPUYHG-RDJZCZTQSA-N 0 3 364.449 3.062 20 30 FGEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549608400 504858832 /nfs/dbraw/zinc/85/88/32/504858832.db2.gz ZQMKVEGAZRHFSZ-FRRDWIJNSA-N 0 3 368.403 3.068 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000556451099 504878052 /nfs/dbraw/zinc/87/80/52/504878052.db2.gz CARRZGHFDQNDOF-IBGZPJMESA-N 0 3 367.415 3.195 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000553504133 504933871 /nfs/dbraw/zinc/93/38/71/504933871.db2.gz JAAGRDUYTTWPEC-DZGCQCFKSA-N 0 3 370.522 3.251 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000559845030 504936125 /nfs/dbraw/zinc/93/61/25/504936125.db2.gz JCSGGJSLHBCRGM-FQEVSTJZSA-N 0 3 362.477 3.019 20 30 FGEDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000562866035 504969344 /nfs/dbraw/zinc/96/93/44/504969344.db2.gz XMZKFYHOUUIRTD-CRAIPNDOSA-N 0 3 369.421 3.060 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccccc2N2CCCCC2)cc1 ZINC000563010923 505018988 /nfs/dbraw/zinc/01/89/88/505018988.db2.gz CIUBZZGBZGJGCO-HXUWFJFHSA-N 0 3 365.477 3.078 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000563013492 505020497 /nfs/dbraw/zinc/02/04/97/505020497.db2.gz AZKOMYBLUUEXBE-AEFFLSMTSA-N 0 3 364.367 3.234 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)n2c1 ZINC000560257063 505030882 /nfs/dbraw/zinc/03/08/82/505030882.db2.gz JZQARGGJAVCBQG-MJGOQNOKSA-N 0 3 354.360 3.104 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000560379454 505064701 /nfs/dbraw/zinc/06/47/01/505064701.db2.gz ALRUQWTWMRVPOG-LJQANCHMSA-N 0 3 350.466 3.148 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)c1ccccc1 ZINC000557122482 505071396 /nfs/dbraw/zinc/07/13/96/505071396.db2.gz SGAPOJLSDQNVFC-UYAOXDASSA-N 0 3 371.525 3.047 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000566070289 505071886 /nfs/dbraw/zinc/07/18/86/505071886.db2.gz LMQJKZFHBTXYFA-GFCCVEGCSA-N 0 3 370.375 3.219 20 30 FGEDHN C=CCN(CCc1c(C)nc2ccccn2c1=O)Cc1cccc(C#N)c1 ZINC000550708714 505088030 /nfs/dbraw/zinc/08/80/30/505088030.db2.gz SHIFPHFEYOCINS-UHFFFAOYSA-N 0 3 358.445 3.105 20 30 FGEDHN N#Cc1cscc1C(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000557225000 505095609 /nfs/dbraw/zinc/09/56/09/505095609.db2.gz GOMKOFYOOWTSEE-SJLPKXTDSA-N 0 3 351.475 3.214 20 30 FGEDHN COc1ccc(C#N)cc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000551096490 505156472 /nfs/dbraw/zinc/15/64/72/505156472.db2.gz GPQHMCVUMFLEGY-UYAOXDASSA-N 0 3 357.404 3.380 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2cc3ccccc3s2)cc1 ZINC000560858047 505202684 /nfs/dbraw/zinc/20/26/84/505202684.db2.gz OOIUZYCAPNKMIT-QGZVFWFLSA-N 0 3 352.459 3.497 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000563699109 505214734 /nfs/dbraw/zinc/21/47/34/505214734.db2.gz TZUQOXYBWPWSBH-UHFFFAOYSA-N 0 3 357.473 3.402 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NCCc3ccc(F)cc3Cl)C2=O)cc1 ZINC000563791178 505239743 /nfs/dbraw/zinc/23/97/43/505239743.db2.gz QHJJMYBOTJSYBS-LJQANCHMSA-N 0 3 371.843 3.284 20 30 FGEDHN C=CCc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc(OC)c1OC ZINC000558020505 505288356 /nfs/dbraw/zinc/28/83/56/505288356.db2.gz CDQZCHHPDIILIU-JTDSTZFVSA-N 0 3 372.509 3.235 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000554928935 505301395 /nfs/dbraw/zinc/30/13/95/505301395.db2.gz VAFZITACLBIYLA-HOTGVXAUSA-N 0 3 355.486 3.059 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c1 ZINC000564136496 505334951 /nfs/dbraw/zinc/33/49/51/505334951.db2.gz VQINTTXVDKATKA-UHFFFAOYSA-N 0 3 366.465 3.300 20 30 FGEDHN CCN(CC)c1ncc(CN(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000564313290 505381026 /nfs/dbraw/zinc/38/10/26/505381026.db2.gz TTZDPNMMVVDEFD-UHFFFAOYSA-N 0 3 371.554 3.425 20 30 FGEDHN C[C@H](NCCn1cnc(C#N)n1)c1cc2cc(Br)ccc2o1 ZINC000552099786 505400225 /nfs/dbraw/zinc/40/02/25/505400225.db2.gz TZVJLABMSQPUEL-JTQLQIEISA-N 0 3 360.215 3.009 20 30 FGEDHN CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000564427424 505416814 /nfs/dbraw/zinc/41/68/14/505416814.db2.gz KHHPDNVBNPBRQL-SFHVURJKSA-N 0 3 352.413 3.436 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccccc2OC2CCCC2)cc1 ZINC000558731843 505477163 /nfs/dbraw/zinc/47/71/63/505477163.db2.gz IURWQENMBWYLLH-LJQANCHMSA-N 0 3 366.461 3.409 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3ccc(C#N)s3)cc2)CC1 ZINC000567493159 505479395 /nfs/dbraw/zinc/47/93/95/505479395.db2.gz LIDODPDHLDDVQS-UHFFFAOYSA-N 0 3 355.463 3.023 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000555720792 505500460 /nfs/dbraw/zinc/50/04/60/505500460.db2.gz SYQYETSYWSXSCL-UHFFFAOYSA-N 0 3 362.477 3.042 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccc2ncsc2c1 ZINC000564875933 505547233 /nfs/dbraw/zinc/54/72/33/505547233.db2.gz ZJJPRPWCYAIDOI-PBHICJAKSA-N 0 3 367.474 3.453 20 30 FGEDHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000559005031 505549717 /nfs/dbraw/zinc/54/97/17/505549717.db2.gz XAFYIIQSXIJGNE-UHFFFAOYSA-N 0 3 356.518 3.408 20 30 FGEDHN CC(C)[C@@H](CNc1c(C#N)cnc2c(Cl)cccc21)N1CCN(C)CC1 ZINC000564892724 505551497 /nfs/dbraw/zinc/55/14/97/505551497.db2.gz NPFQBAPTIRJFGD-GOSISDBHSA-N 0 3 371.916 3.444 20 30 FGEDHN C[C@@](C#N)(NC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000564965691 505564277 /nfs/dbraw/zinc/56/42/77/505564277.db2.gz JUDJHTLQOAURNZ-QUCCMNQESA-N 0 3 357.523 3.193 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NCc3ccc(CN4CC[C@@H](O)C4)cc3)c2c1 ZINC000596425285 506400310 /nfs/dbraw/zinc/40/03/10/506400310.db2.gz XOLQQNYUMJOKHH-HXUWFJFHSA-N 0 3 372.472 3.016 20 30 FGEDHN CC(C)Oc1cccc(CN(C)C[C@@H](O)COc2ccccc2C#N)c1 ZINC000599339529 506419682 /nfs/dbraw/zinc/41/96/82/506419682.db2.gz KNKGNISLSMMPIW-LJQANCHMSA-N 0 3 354.450 3.217 20 30 FGEDHN Cc1cc(C)cc(C2=CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599347555 506420868 /nfs/dbraw/zinc/42/08/68/506420868.db2.gz UMKINRSEYRIHBF-NRFANRHFSA-N 0 3 354.494 3.464 20 30 FGEDHN CCOC(=O)C[C@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599356755 506425448 /nfs/dbraw/zinc/42/54/48/506425448.db2.gz GJJPVYSWCNAPAK-YWZLYKJASA-N 0 3 352.434 3.190 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@H](O)COc1ccccc1C#N ZINC000599366375 506429480 /nfs/dbraw/zinc/42/94/80/506429480.db2.gz OLBUKIXAWJJEAH-UVFQYZLESA-N 0 3 374.868 3.317 20 30 FGEDHN CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000599419999 506447765 /nfs/dbraw/zinc/44/77/65/506447765.db2.gz XEMDATARFGQTJF-MJGOQNOKSA-N 0 3 354.450 3.390 20 30 FGEDHN CC1(C)C[C@H](N(Cc2ccccc2)C[C@@H](O)CC2(C#N)CCOCC2)CO1 ZINC000599462288 506465054 /nfs/dbraw/zinc/46/50/54/506465054.db2.gz OHDKWFLWIMBASV-PMACEKPBSA-N 0 3 372.509 3.127 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@]2(CO)CCCC(C)(C)C2)c1C ZINC000599592861 506519121 /nfs/dbraw/zinc/51/91/21/506519121.db2.gz BAZIFIZLFPTFLE-QFIPXVFZSA-N 0 3 371.525 3.471 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000589350442 506526033 /nfs/dbraw/zinc/52/60/33/506526033.db2.gz WLWYPUBJPBQVFS-SFHVURJKSA-N 0 3 352.413 3.436 20 30 FGEDHN CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CCN(C)C1 ZINC000596678219 506528029 /nfs/dbraw/zinc/52/80/29/506528029.db2.gz MQEXLVSMUAPVEP-QGZVFWFLSA-N 0 3 365.437 3.303 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599625762 506536508 /nfs/dbraw/zinc/53/65/08/506536508.db2.gz OJBXKCQUDWFULQ-GELUBGBASA-N 0 3 361.511 3.421 20 30 FGEDHN N#CCC[C@@H](NC(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1 ZINC000599624978 506537381 /nfs/dbraw/zinc/53/73/81/506537381.db2.gz MCTQTXHRGMFPAF-GOSISDBHSA-N 0 3 350.422 3.335 20 30 FGEDHN N#Cc1cccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)n1 ZINC000589464539 506558454 /nfs/dbraw/zinc/55/84/54/506558454.db2.gz IMSNXYOLRZHYBH-UHFFFAOYSA-N 0 3 368.868 3.345 20 30 FGEDHN N#Cc1c(F)cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000596725411 506562556 /nfs/dbraw/zinc/56/25/56/506562556.db2.gz JSHNXMCAKPEMCZ-IBGZPJMESA-N 0 3 355.388 3.403 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593390562 506594090 /nfs/dbraw/zinc/59/40/90/506594090.db2.gz LKFROLRXRHHEEP-IIBYNOLFSA-N 0 3 360.461 3.104 20 30 FGEDHN CCN1C[C@H](CN(C)CCOc2cccc(C#N)c2)Oc2ccccc21 ZINC000603845281 506631831 /nfs/dbraw/zinc/63/18/31/506631831.db2.gz DHBYEZSLIZNBRX-IBGZPJMESA-N 0 3 351.450 3.156 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC(F)(F)CC2)cc1 ZINC000599790955 506638507 /nfs/dbraw/zinc/63/85/07/506638507.db2.gz OOSURBXTUFGKJD-GFCCVEGCSA-N 0 3 371.409 3.025 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1 ZINC000599790050 506639028 /nfs/dbraw/zinc/63/90/28/506639028.db2.gz DTYVRWIVLHIBFT-GLJUWKHASA-N 0 3 361.467 3.169 20 30 FGEDHN CCCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603925928 506660478 /nfs/dbraw/zinc/66/04/78/506660478.db2.gz VZLZOXXPGNWPSB-IBGZPJMESA-N 0 3 354.450 3.219 20 30 FGEDHN CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCN(C)C1 ZINC000596892271 506660528 /nfs/dbraw/zinc/66/05/28/506660528.db2.gz CTNOMGBMTUJBMY-CYBMUJFWSA-N 0 3 356.348 3.015 20 30 FGEDHN CCOC(=O)C[C@H](NC(=O)C(C#N)CC)c1cccc(Br)c1 ZINC000593599180 506698383 /nfs/dbraw/zinc/69/83/83/506698383.db2.gz TYVPMMVGDGXRRW-FZMZJTMJSA-N 0 3 367.243 3.109 20 30 FGEDHN COc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C ZINC000596973409 506705992 /nfs/dbraw/zinc/70/59/92/506705992.db2.gz IECNJKJJUGHUNC-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000597001068 506725019 /nfs/dbraw/zinc/72/50/19/506725019.db2.gz PPNFYGKUDDDVJS-LVCYWYKZSA-N 0 3 353.510 3.315 20 30 FGEDHN C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)N1CCC[C@H](C)C1 ZINC000609083015 506771997 /nfs/dbraw/zinc/77/19/97/506771997.db2.gz KZZVTGFSUUYCLL-QWHCGFSZSA-N 0 3 366.412 3.402 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000593960713 506851716 /nfs/dbraw/zinc/85/17/16/506851716.db2.gz CJNFUFBLTJAYDK-QGZVFWFLSA-N 0 3 371.550 3.215 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000593974594 506860028 /nfs/dbraw/zinc/86/00/28/506860028.db2.gz VVKXNPLZEWLCNK-KRWDZBQOSA-N 0 3 367.468 3.466 20 30 FGEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000590579487 506867510 /nfs/dbraw/zinc/86/75/10/506867510.db2.gz VMLZTVUPOCOMLP-UHFFFAOYSA-N 0 3 353.806 3.097 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000594007462 506879177 /nfs/dbraw/zinc/87/91/77/506879177.db2.gz WYWLQYZNEISXFK-KGVIQGDOSA-N 0 3 361.489 3.374 20 30 FGEDHN C[C@H](CC#N)C(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000597319293 506895029 /nfs/dbraw/zinc/89/50/29/506895029.db2.gz GSEIAOHYILBREA-NVXWUHKLSA-N 0 3 367.415 3.449 20 30 FGEDHN COC(=O)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCCCC1 ZINC000600409452 506940544 /nfs/dbraw/zinc/94/05/44/506940544.db2.gz IBGUDNPNNQVXBI-OALUTQOASA-N 0 3 356.466 3.245 20 30 FGEDHN CC[C@H](C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000597426631 506948451 /nfs/dbraw/zinc/94/84/51/506948451.db2.gz LCGAHSWOPBENIP-INIZCTEOSA-N 0 3 364.497 3.147 20 30 FGEDHN N#Cc1ncc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000583796116 506978415 /nfs/dbraw/zinc/97/84/15/506978415.db2.gz LLXSNHLRVSYIOH-HNNXBMFYSA-N 0 3 369.856 3.250 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C#N)CCOCC1 ZINC000597626115 507036920 /nfs/dbraw/zinc/03/69/20/507036920.db2.gz NMWMTVZYUPCTIF-IBGZPJMESA-N 0 3 369.509 3.114 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594248062 507041026 /nfs/dbraw/zinc/04/10/26/507041026.db2.gz JKSAGBGBKXVZEW-SLFFLAALSA-N 0 3 352.482 3.252 20 30 FGEDHN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(C)C#N)CC1 ZINC000609921280 507050693 /nfs/dbraw/zinc/05/06/93/507050693.db2.gz GETGVLLATSZVAH-BBRMVZONSA-N 0 3 364.287 3.204 20 30 FGEDHN CC(C#N)C(=O)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000609920127 507050969 /nfs/dbraw/zinc/05/09/69/507050969.db2.gz LPTTVEAEMMEZLU-INIZCTEOSA-N 0 3 365.433 3.260 20 30 FGEDHN CC(C#N)C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000609921651 507051831 /nfs/dbraw/zinc/05/18/31/507051831.db2.gz YDQPTLUMFVQWCU-MRXNPFEDSA-N 0 3 367.424 3.213 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000594284474 507063137 /nfs/dbraw/zinc/06/31/37/507063137.db2.gz YWAXACSYEHUKRY-LEWJYISDSA-N 0 3 364.493 3.374 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594284054 507063212 /nfs/dbraw/zinc/06/32/12/507063212.db2.gz QDYLRJVMVKNYQP-IVAOSVALSA-N 0 3 366.509 3.485 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000600715643 507079040 /nfs/dbraw/zinc/07/90/40/507079040.db2.gz AQXQOXDTTZQOTK-GDBMZVCRSA-N 0 3 350.459 3.024 20 30 FGEDHN CC(C)[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000600717107 507079951 /nfs/dbraw/zinc/07/99/51/507079951.db2.gz IJRMBPYOCLRECD-OXQOHEQNSA-N 0 3 364.449 3.161 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@H](O)COc1ccccc1C#N ZINC000600727498 507084462 /nfs/dbraw/zinc/08/44/62/507084462.db2.gz WTARSVVMFTZYRJ-DCPHZVHLSA-N 0 3 374.868 3.317 20 30 FGEDHN CC[C@H](C)Oc1cc(C)ccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600729448 507087181 /nfs/dbraw/zinc/08/71/81/507087181.db2.gz HAZBHRFUYLFNOV-PKOBYXMFSA-N 0 3 360.498 3.333 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C3CCC3)C2)cc1 ZINC000591062195 507095662 /nfs/dbraw/zinc/09/56/62/507095662.db2.gz XCZLBERNLTWTQG-GOSISDBHSA-N 0 3 355.482 3.454 20 30 FGEDHN COCCNc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1C#N ZINC000600791549 507123053 /nfs/dbraw/zinc/12/30/53/507123053.db2.gz RKRJJPJVPBCHBE-UHFFFAOYSA-N 0 3 364.493 3.031 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594419844 507123673 /nfs/dbraw/zinc/12/36/73/507123673.db2.gz STUCEJYPUYPBLS-AEFFLSMTSA-N 0 3 370.522 3.299 20 30 FGEDHN COc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)c2ccccc2)cc1 ZINC000594425567 507125431 /nfs/dbraw/zinc/12/54/31/507125431.db2.gz KWVFXOVCXCEJDD-PMACEKPBSA-N 0 3 351.450 3.312 20 30 FGEDHN CC(C)(CO)[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000597847400 507130542 /nfs/dbraw/zinc/13/05/42/507130542.db2.gz USFLBDKCHNQXDI-PKOBYXMFSA-N 0 3 351.450 3.030 20 30 FGEDHN COc1ccccc1[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594434967 507131608 /nfs/dbraw/zinc/13/16/08/507131608.db2.gz XQPYNXZFJAZTQF-UYAOXDASSA-N 0 3 351.450 3.312 20 30 FGEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1OCc1cccnc1 ZINC000594441934 507134714 /nfs/dbraw/zinc/13/47/14/507134714.db2.gz YVUPKILTXYKBAO-QGZVFWFLSA-N 0 3 368.437 3.019 20 30 FGEDHN CN1CCC[C@H](CNC(=O)CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000610200208 507135107 /nfs/dbraw/zinc/13/51/07/507135107.db2.gz PDJMBHWRCJZFAR-UZLBHIALSA-N 0 3 368.506 3.231 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000610200207 507135350 /nfs/dbraw/zinc/13/53/50/507135350.db2.gz PDJMBHWRCJZFAR-JXFKEZNVSA-N 0 3 368.506 3.231 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000594443857 507135558 /nfs/dbraw/zinc/13/55/58/507135558.db2.gz VZFJQRBQWHNVHQ-HOTGVXAUSA-N 0 3 369.387 3.017 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594448334 507139062 /nfs/dbraw/zinc/13/90/62/507139062.db2.gz FSBDXEIPAVRDRE-HNNXBMFYSA-N 0 3 369.387 3.144 20 30 FGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000594500288 507157382 /nfs/dbraw/zinc/15/73/82/507157382.db2.gz MFALSSDFPRHAMN-HXUWFJFHSA-N 0 3 362.477 3.164 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000597904725 507164624 /nfs/dbraw/zinc/16/46/24/507164624.db2.gz STQZFYLNYOFBDN-MSOLQXFVSA-N 0 3 361.436 3.296 20 30 FGEDHN N#CCCn1cc(CNC[C@@H]2CCC3(CCCC3)O2)c(-c2ccncc2)n1 ZINC000594522916 507169854 /nfs/dbraw/zinc/16/98/54/507169854.db2.gz LSSIKJFASJNVAM-IBGZPJMESA-N 0 3 365.481 3.440 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000597921922 507176191 /nfs/dbraw/zinc/17/61/91/507176191.db2.gz HXTQKPMBDFNNTN-INIZCTEOSA-N 0 3 367.449 3.333 20 30 FGEDHN C[C@H](N[C@H]1CCCN2CCCC[C@H]12)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000594551607 507180915 /nfs/dbraw/zinc/18/09/15/507180915.db2.gz MFMPBIOMFFBFSR-FFZOFVMBSA-N 0 3 372.488 3.067 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000610458294 507248535 /nfs/dbraw/zinc/24/85/35/507248535.db2.gz QPTGCRDRCGJWER-GOSISDBHSA-N 0 3 362.477 3.364 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3ccnn3CC3CCC3)CC2)c1 ZINC000601130199 507270914 /nfs/dbraw/zinc/27/09/14/507270914.db2.gz GRIFTLQQALHODE-UHFFFAOYSA-N 0 3 363.509 3.309 20 30 FGEDHN N#CCCn1cc(CNCc2cccc3c2CCOC3)c(-c2ccncc2)n1 ZINC000601155731 507280560 /nfs/dbraw/zinc/28/05/60/507280560.db2.gz MEHLQRIDUUZPBA-UHFFFAOYSA-N 0 3 373.460 3.221 20 30 FGEDHN COC[C@@]1(CNCc2ccc(C3(C#N)CC3)cc2)OCCc2ccccc21 ZINC000594960911 507332651 /nfs/dbraw/zinc/33/26/51/507332651.db2.gz ZBFZFRVLXHPLCG-HSZRJFAPSA-N 0 3 362.473 3.446 20 30 FGEDHN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000598239579 507337599 /nfs/dbraw/zinc/33/75/99/507337599.db2.gz VRFFWCYZMVXXQT-SLFFLAALSA-N 0 3 350.466 3.020 20 30 FGEDHN N#Cc1cccc(C2(NCc3ccc4c(c3)OCCO4)CCOCC2)c1 ZINC000594984713 507341488 /nfs/dbraw/zinc/34/14/88/507341488.db2.gz RVBXKXOYWAQQKA-UHFFFAOYSA-N 0 3 350.418 3.125 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000591764043 507352801 /nfs/dbraw/zinc/35/28/01/507352801.db2.gz TWSRLNJRKHAGFT-IEBWSBKVSA-N 0 3 372.465 3.397 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)C3(C#N)CC4(CC4)C3)c2)CC1 ZINC000601395178 507355973 /nfs/dbraw/zinc/35/59/73/507355973.db2.gz HQTBSDBXDWDXNO-UHFFFAOYSA-N 0 3 352.482 3.239 20 30 FGEDHN N#Cc1cc(F)cc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000601714440 507436287 /nfs/dbraw/zinc/43/62/87/507436287.db2.gz IOTVMJJKTZBGDE-UHFFFAOYSA-N 0 3 367.424 3.154 20 30 FGEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CCN1CCc1ccc(C#N)cc1 ZINC000595357127 507468927 /nfs/dbraw/zinc/46/89/27/507468927.db2.gz LQICEHNLUPYHJH-IBGZPJMESA-N 0 3 358.489 3.221 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000595475552 507519073 /nfs/dbraw/zinc/51/90/73/507519073.db2.gz KJYPAXITRBZXET-VQTJNVASSA-N 0 3 354.498 3.234 20 30 FGEDHN CCN(CC)[C@H](CNc1ccc(C#N)nn1)c1ccc(C(F)(F)F)cc1 ZINC000611240024 507576425 /nfs/dbraw/zinc/57/64/25/507576425.db2.gz YZODPSGNJRXTIW-MRXNPFEDSA-N 0 3 363.387 3.284 20 30 FGEDHN N#CC(CCN1CC[C@@H]2NC(=O)CC[C@H]2C1)(c1ccccc1)c1ccccc1 ZINC000595729091 507650369 /nfs/dbraw/zinc/65/03/69/507650369.db2.gz PVSMPOIMMKHDLP-UGKGYDQZSA-N 0 3 373.500 3.487 20 30 FGEDHN CN1CCC(n2cc(NC(=O)N[C@H](CCC#N)c3ccccc3)cn2)CC1 ZINC000602277442 507653129 /nfs/dbraw/zinc/65/31/29/507653129.db2.gz SDOBMOBRTWCUBF-LJQANCHMSA-N 0 3 366.469 3.316 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000611391839 507659694 /nfs/dbraw/zinc/65/96/94/507659694.db2.gz BEGLKAVCCNDKPE-FOIQADDNSA-N 0 3 358.388 3.243 20 30 FGEDHN COC(=O)C(C)(C)[C@H](NCCOc1ccccc1C#N)c1ccccc1 ZINC000611405539 507666294 /nfs/dbraw/zinc/66/62/94/507666294.db2.gz NHOTVEYZDBTTJU-LJQANCHMSA-N 0 3 352.434 3.467 20 30 FGEDHN Cc1ccccc1NC(=O)CCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595765714 507674250 /nfs/dbraw/zinc/67/42/50/507674250.db2.gz VNNGRCUJSAPQOJ-UHFFFAOYSA-N 0 3 363.461 3.491 20 30 FGEDHN C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C)O1 ZINC000595781883 507681520 /nfs/dbraw/zinc/68/15/20/507681520.db2.gz UQYRNXYWKPUSMC-KGLIPLIRSA-N 0 3 361.511 3.326 20 30 FGEDHN CCCN(Cc1cccc(C#N)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000602452474 507714378 /nfs/dbraw/zinc/71/43/78/507714378.db2.gz DDFBIOYXYBXJJK-UHFFFAOYSA-N 0 3 362.477 3.470 20 30 FGEDHN COc1cccc(C2(NC[C@@H](O)COc3ccc(CC#N)cc3)CCC2)c1 ZINC000595857213 507716195 /nfs/dbraw/zinc/71/61/95/507716195.db2.gz MTXAAXYNKBGJCP-LJQANCHMSA-N 0 3 366.461 3.170 20 30 FGEDHN CC[C@H](C(=O)N1CCC(NCc2cccc(C#N)n2)CC1)c1ccccc1 ZINC000602526995 507738511 /nfs/dbraw/zinc/73/85/11/507738511.db2.gz HKBPCQIBKIVXHR-NRFANRHFSA-N 0 3 362.477 3.228 20 30 FGEDHN CN1CCC(CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000487069200 561362731 /nfs/dbraw/zinc/36/27/31/561362731.db2.gz RHTSXFWCQQHDPV-UHFFFAOYSA-N 0 3 357.845 3.068 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCOCC)[C@@H]2CCc3ccccc32)CC1 ZINC000636738418 567994075 /nfs/dbraw/zinc/99/40/75/567994075.db2.gz CEHJQGZZFKJIJS-OAQYLSRUSA-N 0 3 371.525 3.372 20 30 FGEDHN C[C@H]1CC[C@H](NC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000330281076 568098515 /nfs/dbraw/zinc/09/85/15/568098515.db2.gz UDHNMRMDHHLECD-YFVAEKQCSA-N 0 3 359.514 3.048 20 30 FGEDHN C=CCOc1ccc(CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1 ZINC000637138924 568445272 /nfs/dbraw/zinc/44/52/72/568445272.db2.gz ZDDWRWYQIOLVQM-UHFFFAOYSA-N 0 3 369.469 3.036 20 30 FGEDHN C[N@@H+]1CCC[C@H](CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000830928496 600753894 /nfs/dbraw/zinc/75/38/94/600753894.db2.gz NQIKKOCWSUSXKD-BHIYHBOVSA-N 0 3 369.490 3.418 20 30 FGEDHN C[N@H+]1CCC[C@H](CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000830928496 600753896 /nfs/dbraw/zinc/75/38/96/600753896.db2.gz NQIKKOCWSUSXKD-BHIYHBOVSA-N 0 3 369.490 3.418 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000049252357 695893298 /nfs/dbraw/zinc/89/32/98/695893298.db2.gz GCHNOGZEFIHGLP-CYBMUJFWSA-N 0 3 359.451 3.269 20 30 FGEDHN C#CCOc1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484988 700436579 /nfs/dbraw/zinc/43/65/79/700436579.db2.gz XTONGRBIKGRVPV-UHFFFAOYSA-N 0 3 354.475 3.155 20 30 FGEDHN N#CC(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1CCCC1 ZINC000103330690 700483500 /nfs/dbraw/zinc/48/35/00/700483500.db2.gz MTXLFLPHLDUEJW-CABCVRRESA-N 0 3 352.356 3.490 20 30 FGEDHN N#CC(C(=O)CSCc1cccc(Cl)c1)C(=O)NC1CCCC1 ZINC000119744694 700637626 /nfs/dbraw/zinc/63/76/26/700637626.db2.gz WFWJYHJNCOMWCU-HNNXBMFYSA-N 0 3 350.871 3.341 20 30 FGEDHN C[C@H](Oc1ccc(Cl)cc1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126648751 700750915 /nfs/dbraw/zinc/75/09/15/700750915.db2.gz MMGJRWQPKKIRDL-SUMWQHHRSA-N 0 3 356.809 3.133 20 30 FGEDHN C[C@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126715066 700751995 /nfs/dbraw/zinc/75/19/95/700751995.db2.gz DSSVZLIJWKVVQG-SUMWQHHRSA-N 0 3 356.809 3.133 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSc2ccc(C)cc2)cc1 ZINC000131666786 700818363 /nfs/dbraw/zinc/81/83/63/700818363.db2.gz HHLPJPLFPBZJPF-QGZVFWFLSA-N 0 3 354.431 3.443 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cncc(F)c1 ZINC000151584373 704929519 /nfs/dbraw/zinc/92/95/19/704929519.db2.gz CMZQCKLIVBVMNL-ZDUSSCGKSA-N 0 3 365.336 3.497 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNC[C@@](C)(O)c1ccco1 ZINC000174526665 705507205 /nfs/dbraw/zinc/50/72/05/705507205.db2.gz GVTZUGSMSCXRML-QGZVFWFLSA-N 0 3 364.239 3.051 20 30 FGEDHN CCN1CCN(c2ccc(CNCc3cc(C#N)cs3)cc2F)CC1 ZINC000177698009 705635940 /nfs/dbraw/zinc/63/59/40/705635940.db2.gz BEOLRJBZLTVEEI-UHFFFAOYSA-N 0 3 358.486 3.191 20 30 FGEDHN COc1cccc(OCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000193404314 712890240 /nfs/dbraw/zinc/89/02/40/712890240.db2.gz PJCZITZEECHNDT-MRXNPFEDSA-N 0 3 358.781 3.075 20 30 FGEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)N(C)CC(F)(F)F ZINC000194905718 713539012 /nfs/dbraw/zinc/53/90/12/713539012.db2.gz SGDYQDQKHXJFLC-CMPLNLGQSA-N 0 3 368.384 3.264 20 30 FGEDHN CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619827308 714873942 /nfs/dbraw/zinc/87/39/42/714873942.db2.gz ZXYSAGVXDSVUDU-UHFFFAOYSA-N 0 3 360.845 3.078 20 30 FGEDHN CC(C)(C)OCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000802797537 724407744 /nfs/dbraw/zinc/40/77/44/724407744.db2.gz WZGAVXBZUUEGHW-OAHLLOKOSA-N 0 3 350.846 3.260 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCO[C@H]1C ZINC000631013512 716546396 /nfs/dbraw/zinc/54/63/96/716546396.db2.gz XAMORTNGFRPZQP-HOTGVXAUSA-N 0 3 350.532 3.010 20 30 FGEDHN C=CCN(CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H](C)COC ZINC000661239208 720213513 /nfs/dbraw/zinc/21/35/13/720213513.db2.gz DAHFBTAYEIDQNL-ZDUSSCGKSA-N 0 3 360.527 3.218 20 30 FGEDHN C=CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H](C)COC ZINC000663450821 720516406 /nfs/dbraw/zinc/51/64/06/720516406.db2.gz MCTDJAMYKCHXLX-CVEARBPZSA-N 0 3 351.516 3.118 20 30 FGEDHN Cc1cc(C#N)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164906402 721528047 /nfs/dbraw/zinc/52/80/47/721528047.db2.gz KYTKTBRCDZSIFK-ICSRJNTNSA-N 0 3 366.440 3.051 20 30 FGEDHN N#Cc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164903956 721582684 /nfs/dbraw/zinc/58/26/84/721582684.db2.gz PLJJJYJZULUFSU-IBGZPJMESA-N 0 3 369.419 3.086 20 30 FGEDHN N#Cc1cc(N2CCN(C3CCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301339916 721862132 /nfs/dbraw/zinc/86/21/32/721862132.db2.gz HYXSFSCCQHSYFH-UHFFFAOYSA-N 0 3 351.410 3.079 20 30 FGEDHN CCCC(=O)N1CCC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420560 722468384 /nfs/dbraw/zinc/46/83/84/722468384.db2.gz HSLGOOTYEXPCPM-OCCSQVGLSA-N 0 3 359.426 3.403 20 30 FGEDHN C#CCCNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000733645964 722499940 /nfs/dbraw/zinc/49/99/40/722499940.db2.gz SAKYBMHWZWDTCT-INIZCTEOSA-N 0 3 355.404 3.411 20 30 FGEDHN Cn1nc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C1CC1 ZINC000744033048 722572975 /nfs/dbraw/zinc/57/29/75/722572975.db2.gz QPBZRRBCQAQUTM-LLVKDONJSA-N 0 3 360.776 3.051 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)CC1 ZINC000747635724 722653608 /nfs/dbraw/zinc/65/36/08/722653608.db2.gz YJIFJSDAGZQUNW-UHFFFAOYSA-N 0 3 356.857 3.118 20 30 FGEDHN CC(Cc1ccc(Br)c(F)c1)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753937735 722919121 /nfs/dbraw/zinc/91/91/21/722919121.db2.gz ZOYKZIFOQKEGLF-GASCZTMLSA-N 0 3 367.266 3.367 20 30 FGEDHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000757318250 722975894 /nfs/dbraw/zinc/97/58/94/722975894.db2.gz UCTIJYOIJBMKDB-SGMGOOAPSA-N 0 3 365.524 3.390 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1C[C@]12CCOC2 ZINC000764762815 723443538 /nfs/dbraw/zinc/44/35/38/723443538.db2.gz UOBMBKSJRKHHSY-AHIWAGSCSA-N 0 3 366.389 3.075 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000796630047 723647438 /nfs/dbraw/zinc/64/74/38/723647438.db2.gz CUOHLBOSNWOWSO-SNVBAGLBSA-N 0 3 368.409 3.201 20 30 FGEDHN C=CCOc1ccc(CN2CCC(N(C)CC(F)F)CC2)cc1OC ZINC000769511713 723688336 /nfs/dbraw/zinc/68/83/36/723688336.db2.gz VGUNUPCFHWWUJI-UHFFFAOYSA-N 0 3 354.441 3.421 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775226654 723972486 /nfs/dbraw/zinc/97/24/86/723972486.db2.gz IAJOACOBWGJNAB-ZDUSSCGKSA-N 0 3 360.797 3.449 20 30 FGEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000775573191 724001941 /nfs/dbraw/zinc/00/19/41/724001941.db2.gz XFKHUKDSVKCYGT-RCBQFDQVSA-N 0 3 354.372 3.193 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000776514863 724153773 /nfs/dbraw/zinc/15/37/73/724153773.db2.gz GJODLPZFZBAZPV-RULNRJAQSA-N 0 3 355.221 3.456 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000776514860 724153816 /nfs/dbraw/zinc/15/38/16/724153816.db2.gz GJODLPZFZBAZPV-ISTVAULSSA-N 0 3 355.221 3.456 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)CCO1 ZINC000776518042 724154307 /nfs/dbraw/zinc/15/43/07/724154307.db2.gz ULRXSYGXATWCAZ-FOGDFJRCSA-N 0 3 355.221 3.456 20 30 FGEDHN C[C@H](C#N)OCCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000801933747 724347543 /nfs/dbraw/zinc/34/75/43/724347543.db2.gz VOWZVNJIYGCEII-GFCCVEGCSA-N 0 3 353.825 3.058 20 30 FGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)c1 ZINC000786539924 724987756 /nfs/dbraw/zinc/98/77/56/724987756.db2.gz FQCQJUDMVOUGRX-OAHLLOKOSA-N 0 3 358.800 3.355 20 30 FGEDHN CN(C)CCN1C(=O)C(=NNc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000807974333 725177674 /nfs/dbraw/zinc/17/76/74/725177674.db2.gz CHVJNPZDSLVNHD-UHFFFAOYSA-N 0 3 360.820 3.204 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000809903013 725275154 /nfs/dbraw/zinc/27/51/54/725275154.db2.gz WNNKBQMFLZOGSJ-UONOGXRCSA-N 0 3 360.893 3.098 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000818595957 727315712 /nfs/dbraw/zinc/31/57/12/727315712.db2.gz WEEAQUCPEONLRC-CYBMUJFWSA-N 0 3 369.328 3.001 20 30 FGEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000818609445 727316841 /nfs/dbraw/zinc/31/68/41/727316841.db2.gz XHQGBKNWSPSEQB-CQSZACIVSA-N 0 3 351.288 3.014 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cccn1 ZINC000819945622 728956060 /nfs/dbraw/zinc/95/60/60/728956060.db2.gz WAPWTEKIQOXIFZ-ZYHUDNBSSA-N 0 3 365.220 3.489 20 30 FGEDHN COCCN1CCC(NC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000821488973 729092787 /nfs/dbraw/zinc/09/27/87/729092787.db2.gz SQSLAGMQKWNFLT-UHFFFAOYSA-N 0 3 364.515 3.150 20 30 FGEDHN CC(C)(C)C(=O)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835341675 729880117 /nfs/dbraw/zinc/88/01/17/729880117.db2.gz VXDDLIZLHHMJAY-HNNXBMFYSA-N 0 3 362.857 3.451 20 30 FGEDHN C=C(Cl)C[C@H](NC1CCN(CCC(F)(F)F)CC1)C(=O)OCC ZINC000877671976 736702542 /nfs/dbraw/zinc/70/25/42/736702542.db2.gz SXHRNWQBJXLIHF-ZDUSSCGKSA-N 0 3 356.816 3.067 20 30 FGEDHN CSc1ccc([C@@H](C/N=C\c2c([O-])c(C)ncc2CO)[NH+](C)C)cc1 ZINC000840706944 730164462 /nfs/dbraw/zinc/16/44/62/730164462.db2.gz QFKZULBZKKFGSW-QOYJSAPCSA-N 0 3 359.495 3.032 20 30 FGEDHN CC[C@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC(C)C ZINC000842287846 730480754 /nfs/dbraw/zinc/48/07/54/730480754.db2.gz CMQKKNVDSANZKW-HIFRSBDPSA-N 0 3 365.271 3.251 20 30 FGEDHN C#C[C@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000847021946 731007892 /nfs/dbraw/zinc/00/78/92/731007892.db2.gz DEPWBUZHXSPTLM-GJZGRUSLSA-N 0 3 363.299 3.141 20 30 FGEDHN CON=Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000849190160 731234593 /nfs/dbraw/zinc/23/45/93/731234593.db2.gz UDJYHTJXYCFFQE-KRWDZBQOSA-N 0 3 357.479 3.295 20 30 FGEDHN CO[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000850756622 731385162 /nfs/dbraw/zinc/38/51/62/731385162.db2.gz SHFJMHNTCNOZGE-QKCSRTOESA-N 0 3 368.405 3.464 20 30 FGEDHN C[C@@H]1COC2(CCC2)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852443797 731584094 /nfs/dbraw/zinc/58/40/94/731584094.db2.gz MMJLBOSBRHYPSX-KGLIPLIRSA-N 0 3 355.463 3.116 20 30 FGEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000860473808 732519586 /nfs/dbraw/zinc/51/95/86/732519586.db2.gz SBYCPKUEGIIUBG-IUODEOHRSA-N 0 3 352.818 3.201 20 30 FGEDHN COc1ccc(CN[C@@H]2Cc3ccc(C#N)cc3C2)c(Br)c1O ZINC000865848567 733281685 /nfs/dbraw/zinc/28/16/85/733281685.db2.gz UKBHTPFHUXLBLE-OAHLLOKOSA-N 0 3 373.250 3.292 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000876565039 736115045 /nfs/dbraw/zinc/11/50/45/736115045.db2.gz FFTSJNAXTQSGDH-SKDRFNHKSA-N 0 3 361.667 3.105 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000876677293 736130325 /nfs/dbraw/zinc/13/03/25/736130325.db2.gz LCNYRLZKMICUIQ-CYBMUJFWSA-N 0 3 357.679 3.067 20 30 FGEDHN N#Cc1cnc(Cl)c(CNc2ccccc2CN2CCC(O)CC2)c1 ZINC000876826816 736150525 /nfs/dbraw/zinc/15/05/25/736150525.db2.gz BXTBMQCNWNSNKY-UHFFFAOYSA-N 0 3 356.857 3.175 20 30 FGEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCN1C(=O)OC(C)(C)C ZINC000877483137 736226398 /nfs/dbraw/zinc/22/63/98/736226398.db2.gz KILYSXHGZDWOCC-DOMZBBRYSA-N 0 3 364.877 3.484 20 30 FGEDHN COCCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000879710380 737036648 /nfs/dbraw/zinc/03/66/48/737036648.db2.gz XLDBERHPRBEROC-UHFFFAOYSA-N 0 3 357.372 3.064 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)sc(C)c2C(=O)OC)CC1 ZINC000880872396 737246381 /nfs/dbraw/zinc/24/63/81/737246381.db2.gz SWHDGAVHSADHSK-UHFFFAOYSA-N 0 3 365.499 3.314 20 30 FGEDHN Cc1sc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)nc1-c1ccccc1 ZINC000884050285 737628278 /nfs/dbraw/zinc/62/82/78/737628278.db2.gz VRBLXBWXPBEYHD-XAUUPUKJSA-N 0 3 352.463 3.196 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cccc(C(F)(F)F)c1 ZINC000884055315 737629437 /nfs/dbraw/zinc/62/94/37/737629437.db2.gz JEHROHURERELOK-AAPKZHPUSA-N 0 3 351.372 3.022 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N(Cc1cccs1)Cc1cccs1)C2 ZINC000884058733 737629845 /nfs/dbraw/zinc/62/98/45/737629845.db2.gz UDAOBOVUDZTVEL-XAUUPUKJSA-N 0 3 371.531 3.478 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc3nc(C4CC4)sc3c1)C2 ZINC000884107411 737633941 /nfs/dbraw/zinc/63/39/41/737633941.db2.gz VYCMOVNXZVUZTN-MLZJXEJWSA-N 0 3 352.463 3.252 20 30 FGEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884158103 737639164 /nfs/dbraw/zinc/63/91/64/737639164.db2.gz RMRGNDJFRIONNG-FXMWBDHQSA-N 0 3 359.901 3.430 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N(Cc1ccccc1Cl)CC1CC1)C2 ZINC000884428310 737663423 /nfs/dbraw/zinc/66/34/23/737663423.db2.gz YRFOMMOWCKJUFR-GNZRSQJKSA-N 0 3 357.885 3.218 20 30 FGEDHN COC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(Br)c1 ZINC000886310543 739243560 /nfs/dbraw/zinc/24/35/60/739243560.db2.gz NWPJSOMRZZSFFX-HOTGVXAUSA-N 0 3 367.287 3.171 20 30 FGEDHN C#CCN(C(=O)CCCSc1ccc(OC)cc1)C1CCN(C)CC1 ZINC000886577591 739271727 /nfs/dbraw/zinc/27/17/27/739271727.db2.gz OWEJSRLDSDZZDW-UHFFFAOYSA-N 0 3 360.523 3.124 20 30 FGEDHN C#CCN(C(=O)[C@@H](C)c1ccc(Br)cc1)C1CCN(C)CC1 ZINC000886578597 739271762 /nfs/dbraw/zinc/27/17/62/739271762.db2.gz DFMOUBLOFXGXAX-AWEZNQCLSA-N 0 3 363.299 3.109 20 30 FGEDHN CC(C)c1nnc(CNC2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000895188837 742384918 /nfs/dbraw/zinc/38/49/18/742384918.db2.gz UHSLXGJZXYMKPQ-UHFFFAOYSA-N 0 3 355.511 3.287 20 30 FGEDHN C[C@H](NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C#N)ccn1 ZINC000902782693 743775133 /nfs/dbraw/zinc/77/51/33/743775133.db2.gz MUCVIALYHLTQPQ-MEDUHNTESA-N 0 3 351.328 3.236 20 30 FGEDHN C=CCC[C@H](NCc1ccccc1S(C)(=O)=O)[C@@]1(C)CCCCO1 ZINC000903019306 743797946 /nfs/dbraw/zinc/79/79/46/743797946.db2.gz MUPHTNWNXLDGQN-RBUKOAKNSA-N 0 3 351.512 3.474 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CC[C@@H](c2noc(C)n2)C1 ZINC000905685820 744044255 /nfs/dbraw/zinc/04/42/55/744044255.db2.gz ZAHJMZGTWIOQKT-CQSZACIVSA-N 0 3 355.467 3.453 20 30 FGEDHN Cc1ccc(Cl)c(OCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000916885786 758151012 /nfs/dbraw/zinc/15/10/12/758151012.db2.gz FHUJKLQBKLQKDJ-HNNXBMFYSA-N 0 3 356.809 3.053 20 30 FGEDHN COCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917100078 758178684 /nfs/dbraw/zinc/17/86/84/758178684.db2.gz CLTNYFWBWPVKNV-HNNXBMFYSA-N 0 3 357.479 3.364 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000919963538 758495939 /nfs/dbraw/zinc/49/59/39/758495939.db2.gz AJYZRDRJZKBWMD-UHFFFAOYSA-N 0 3 359.520 3.141 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nccs2)cc1Cl ZINC000920111314 758513354 /nfs/dbraw/zinc/51/33/54/758513354.db2.gz LYLABQUADRKTNW-LLVKDONJSA-N 0 3 363.826 3.085 20 30 FGEDHN N#Cc1ccc(Br)c(CNC2CCN(CC(F)F)CC2)c1 ZINC000921631277 758759022 /nfs/dbraw/zinc/75/90/22/758759022.db2.gz VJRKYBLIQSTEPC-UHFFFAOYSA-N 0 3 358.230 3.140 20 30 FGEDHN C=CCOc1c(Cl)cc(CNCCOC2CCOCC2)cc1OC ZINC000922928290 759030611 /nfs/dbraw/zinc/03/06/11/759030611.db2.gz NMEIDLKOUIBXJY-UHFFFAOYSA-N 0 3 355.862 3.199 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NCC(C)(C)C#N)CCO2 ZINC000926873268 759834504 /nfs/dbraw/zinc/83/45/04/759834504.db2.gz DTRKKNZJSTVWIC-OAHLLOKOSA-N 0 3 351.491 3.074 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000926963013 759861521 /nfs/dbraw/zinc/86/15/21/759861521.db2.gz BRXQWRPDHKATHC-HNNXBMFYSA-N 0 3 357.479 3.479 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)c(Br)ccc2F)CC1 ZINC000932141298 761066688 /nfs/dbraw/zinc/06/66/88/761066688.db2.gz VIMCIHXORORMHO-UHFFFAOYSA-N 0 3 355.251 3.277 20 30 FGEDHN CCOC(=O)C1([C@H](C)NCc2ccc(C#N)cc2Cl)CCOCC1 ZINC000933880356 761489358 /nfs/dbraw/zinc/48/93/58/761489358.db2.gz KLPWJXMEFFWFJG-ZDUSSCGKSA-N 0 3 350.846 3.050 20 30 FGEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1CCCO[C@H]1C(C)C)C2 ZINC000963839547 762781511 /nfs/dbraw/zinc/78/15/11/762781511.db2.gz SCIINDYQZFCYED-IOAIVIQVSA-N 0 3 354.922 3.207 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCCN1CCC(F)(F)F ZINC000969064331 762853586 /nfs/dbraw/zinc/85/35/86/762853586.db2.gz DXNOUDYRSWSPDN-PMPSAXMXSA-N 0 3 362.436 3.281 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2c(C)cccc2Cl)C1 ZINC000970241700 762873701 /nfs/dbraw/zinc/87/37/01/762873701.db2.gz MAMNOTUJYHZNDX-GJYPPUQNSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2Cl)C1 ZINC000984825654 763806511 /nfs/dbraw/zinc/80/65/11/763806511.db2.gz FJSMILFRMIKDNL-MMQJMDILSA-N 0 3 366.864 3.055 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC000999182388 765144327 /nfs/dbraw/zinc/14/43/27/765144327.db2.gz PRNDHEJOMVHJOI-SCTDSRPQSA-N 0 3 362.901 3.402 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCc2ccc(C)cc2Cl)C1 ZINC001000242655 765209215 /nfs/dbraw/zinc/20/92/15/765209215.db2.gz UAEHUAFLCCYDGV-SCTDSRPQSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2c(C)cccc2Cl)C1 ZINC001020169214 765865923 /nfs/dbraw/zinc/86/59/23/765865923.db2.gz RGXSMVXIVAZDRC-NNFUDEMPSA-N 0 3 362.901 3.366 20 30 FGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC001039144889 766292736 /nfs/dbraw/zinc/29/27/36/766292736.db2.gz OZQVXTFILJDVEL-CADBVGFASA-N 0 3 366.933 3.115 20 30 FGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1 ZINC001039145454 766292743 /nfs/dbraw/zinc/29/27/43/766292743.db2.gz BHQVQUJDBUYVPN-KURKYZTESA-N 0 3 354.922 3.115 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ccc(C)cc1Cl ZINC001045209450 766517124 /nfs/dbraw/zinc/51/71/24/766517124.db2.gz XUIXFIFQIHGXRG-SCTDSRPQSA-N 0 3 362.901 3.320 20 30 FGEDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000249033434 257371076 /nfs/dbraw/zinc/37/10/76/257371076.db2.gz LYWFSGMKXORSOC-BTTYYORXSA-N 0 3 361.511 3.061 20 30 FGEDHN N#CCc1ccc(CNC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000568081462 505611389 /nfs/dbraw/zinc/61/13/89/505611389.db2.gz KTIZIGKNLNBQFD-UHFFFAOYSA-N 0 3 362.477 3.000 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000570921318 505612493 /nfs/dbraw/zinc/61/24/93/505612493.db2.gz WLAIOJKUTTXZBE-APWZRJJASA-N 0 3 365.539 3.329 20 30 FGEDHN N#Cc1cc(NC(=O)N[C@@H]2CNCCC2(F)F)ccc1Oc1ccccc1 ZINC000573783682 505619870 /nfs/dbraw/zinc/61/98/70/505619870.db2.gz IPDSSJFBLCUAHK-QGZVFWFLSA-N 0 3 372.375 3.469 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNc2snc(C)c2C#N)CC1 ZINC000571071751 505647177 /nfs/dbraw/zinc/64/71/77/505647177.db2.gz CBTHYLAGADNZEC-UHFFFAOYSA-N 0 3 355.511 3.073 20 30 FGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cc(F)c(Br)cc1F ZINC000602526094 507738176 /nfs/dbraw/zinc/73/81/76/507738176.db2.gz KXVIGJLNXKVNJO-OTYXRUKQSA-N 0 3 374.229 3.316 20 30 FGEDHN CSc1ccc(F)cc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000580063990 505672432 /nfs/dbraw/zinc/67/24/32/505672432.db2.gz FALWLYHISGWZAZ-KRWDZBQOSA-N 0 3 360.454 3.143 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000574045471 505681435 /nfs/dbraw/zinc/68/14/35/505681435.db2.gz RYYMCFPTXICPSD-VGSWGCGISA-N 0 3 363.461 3.106 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000028917778 493807154 /nfs/dbraw/zinc/80/71/54/493807154.db2.gz KACYCAIWNUKWNV-IIBYNOLFSA-N 0 3 368.477 3.464 20 30 FGEDHN C[C@@](C#N)(NC(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1)C1CC1 ZINC000076343009 493871836 /nfs/dbraw/zinc/87/18/36/493871836.db2.gz MXWOADDYAIEVBW-QFIPXVFZSA-N 0 3 367.493 3.175 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000081355674 493877589 /nfs/dbraw/zinc/87/75/89/493877589.db2.gz KPDUFDNOODZRAS-SFHVURJKSA-N 0 3 369.431 3.036 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccccc3[N+](=O)[O-])C2)c(F)c1 ZINC000068991439 493903935 /nfs/dbraw/zinc/90/39/35/493903935.db2.gz TXRACVZPRRHWFE-MRXNPFEDSA-N 0 3 354.385 3.364 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000031661362 493953963 /nfs/dbraw/zinc/95/39/63/493953963.db2.gz IHQQQRLHSGWMHZ-UHFFFAOYSA-N 0 3 362.477 3.364 20 30 FGEDHN Cc1ccccc1CN1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000076836132 493978032 /nfs/dbraw/zinc/97/80/32/493978032.db2.gz KBZZJWDCEFLMAR-UHFFFAOYSA-N 0 3 351.410 3.246 20 30 FGEDHN C#CCN1CCC(C(=O)NCCOc2ccccc2-c2ccccc2)CC1 ZINC000070828926 494061006 /nfs/dbraw/zinc/06/10/06/494061006.db2.gz XZZCNYIDTVIQTA-UHFFFAOYSA-N 0 3 362.473 3.194 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3F)c2)CC1 ZINC000088419174 494238347 /nfs/dbraw/zinc/23/83/47/494238347.db2.gz TULGFFUMJOCWOB-UHFFFAOYSA-N 0 3 357.433 3.173 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930633 494257126 /nfs/dbraw/zinc/25/71/26/494257126.db2.gz SXVOHCNOVLIJMX-UHFFFAOYSA-N 0 3 363.461 3.327 20 30 FGEDHN C#CCNC(=O)c1ccc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)nc1 ZINC000078338104 494281811 /nfs/dbraw/zinc/28/18/11/494281811.db2.gz TZZRWYGXEPSZTP-DNVCBOLYSA-N 0 3 368.506 3.001 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000066392796 494325906 /nfs/dbraw/zinc/32/59/06/494325906.db2.gz BLTRKLCPFPACLN-SFHVURJKSA-N 0 3 374.525 3.146 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000571367899 505715695 /nfs/dbraw/zinc/71/56/95/505715695.db2.gz NSJREVNGHASPAF-SFHVURJKSA-N 0 3 356.401 3.130 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000571367897 505715813 /nfs/dbraw/zinc/71/58/13/505715813.db2.gz NSJREVNGHASPAF-GOSISDBHSA-N 0 3 356.401 3.130 20 30 FGEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000090106853 494443412 /nfs/dbraw/zinc/44/34/12/494443412.db2.gz JVYITPSALIGGMU-HNNXBMFYSA-N 0 3 358.463 3.081 20 30 FGEDHN C=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 ZINC000056495779 494515828 /nfs/dbraw/zinc/51/58/28/494515828.db2.gz NHVNBWZRGZHBTB-UHFFFAOYSA-N 0 3 368.433 3.441 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000046723019 494557234 /nfs/dbraw/zinc/55/72/34/494557234.db2.gz CXTWBCYTDUSWOV-UHFFFAOYSA-N 0 3 369.490 3.371 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cccc(Cl)c1 ZINC000047010670 494616392 /nfs/dbraw/zinc/61/63/92/494616392.db2.gz DAEOIZHUBQAIRT-UHFFFAOYSA-N 0 3 371.868 3.181 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000047011229 494616745 /nfs/dbraw/zinc/61/67/45/494616745.db2.gz APADDADPDOQZBI-UHFFFAOYSA-N 0 3 373.460 3.152 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000047011639 494617197 /nfs/dbraw/zinc/61/71/97/494617197.db2.gz WEBORGQAQHQQNH-NHCUHLMSSA-N 0 3 365.452 3.391 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074849769 494622371 /nfs/dbraw/zinc/62/23/71/494622371.db2.gz VXFGIWBOTYQFAM-NRFANRHFSA-N 0 3 362.477 3.364 20 30 FGEDHN CC(C)CN1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000108357204 494688882 /nfs/dbraw/zinc/68/88/82/494688882.db2.gz AFIOPLIFHVCUHS-KRWDZBQOSA-N 0 3 374.554 3.150 20 30 FGEDHN C[C@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000580350631 505738299 /nfs/dbraw/zinc/73/82/99/505738299.db2.gz ANAORUGJCRVXDS-JTSKRJEESA-N 0 3 366.484 3.337 20 30 FGEDHN N#Cc1ccc2ncc(CN3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)n2c1 ZINC000091966654 494738178 /nfs/dbraw/zinc/73/81/78/494738178.db2.gz JBBBZFZRTSPKSB-QUCCMNQESA-N 0 3 364.424 3.433 20 30 FGEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000025420098 494738851 /nfs/dbraw/zinc/73/88/51/494738851.db2.gz KTFMDXXLYDEVOW-UHFFFAOYSA-N 0 3 352.400 3.438 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000025438797 494741160 /nfs/dbraw/zinc/74/11/60/494741160.db2.gz SSSTZQRJUWAHSJ-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)[C@H](C)c2ccncc2)c(OC)c1 ZINC000091990154 494747112 /nfs/dbraw/zinc/74/71/12/494747112.db2.gz GQIQPZPGTMLOGF-APWZRJJASA-N 0 3 356.466 3.251 20 30 FGEDHN CN(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000047776606 494773473 /nfs/dbraw/zinc/77/34/73/494773473.db2.gz QJXANMWZEHLITA-HXUWFJFHSA-N 0 3 367.518 3.081 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000116430405 494783230 /nfs/dbraw/zinc/78/32/30/494783230.db2.gz AVGXUEAOXLPFRX-LJQANCHMSA-N 0 3 374.504 3.134 20 30 FGEDHN C=C(C)COc1cc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1OC ZINC000092106122 494794846 /nfs/dbraw/zinc/79/48/46/494794846.db2.gz ODIRYKIJYHEIHH-MSOLQXFVSA-N 0 3 358.482 3.141 20 30 FGEDHN Cc1cccc(CN2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000026249402 494812594 /nfs/dbraw/zinc/81/25/94/494812594.db2.gz BGROLHRZIWDABA-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN CC(C)n1cnnc1[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000093201790 494842414 /nfs/dbraw/zinc/84/24/14/494842414.db2.gz XANPBVMUZKVMBT-GOSISDBHSA-N 0 3 353.470 3.379 20 30 FGEDHN COc1cc(CN(CCO)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000116877446 494865311 /nfs/dbraw/zinc/86/53/11/494865311.db2.gz GPIVBTOXYSGGCN-UHFFFAOYSA-N 0 3 352.434 3.103 20 30 FGEDHN CC(C)(C)[S@@](=O)CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000116922102 494871377 /nfs/dbraw/zinc/87/13/77/494871377.db2.gz OCLWJXRSHIJDAI-RUZDIDTESA-N 0 3 358.511 3.101 20 30 FGEDHN CS[C@H]1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000117509126 494926786 /nfs/dbraw/zinc/92/67/86/494926786.db2.gz HCGIAXUGORRDSV-OALUTQOASA-N 0 3 374.554 3.306 20 30 FGEDHN CN(C(=O)CN[C@H]1CCCN(C)c2ccccc21)C1(C#N)CCCCC1 ZINC000577578722 505756995 /nfs/dbraw/zinc/75/69/95/505756995.db2.gz HDBGRWUOAOPPME-SFHVURJKSA-N 0 3 354.498 3.232 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000118817018 495041390 /nfs/dbraw/zinc/04/13/90/495041390.db2.gz GJUZZJVCIMDCJQ-LJQANCHMSA-N 0 3 361.486 3.216 20 30 FGEDHN CCCN1CCC[C@H]1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111130408 495042598 /nfs/dbraw/zinc/04/25/98/495042598.db2.gz ZNSCKUQTCHJNAF-ACBHZAAOSA-N 0 3 355.482 3.239 20 30 FGEDHN C=CC1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000111258739 495055931 /nfs/dbraw/zinc/05/59/31/495055931.db2.gz AFODZFKUMVEATD-GOSISDBHSA-N 0 3 356.466 3.019 20 30 FGEDHN C=CC1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000111258150 495056657 /nfs/dbraw/zinc/05/66/57/495056657.db2.gz OBRPCEYRYNARDN-SFHVURJKSA-N 0 3 358.482 3.265 20 30 FGEDHN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000111311417 495063238 /nfs/dbraw/zinc/06/32/38/495063238.db2.gz UQUBLYBELQVVRF-MAUKXSAKSA-N 0 3 357.479 3.072 20 30 FGEDHN COc1c(C)cc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1C ZINC000101734075 495094258 /nfs/dbraw/zinc/09/42/58/495094258.db2.gz GYSCCLWMBKSMML-HXUWFJFHSA-N 0 3 368.477 3.250 20 30 FGEDHN O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000111769833 495109891 /nfs/dbraw/zinc/10/98/91/495109891.db2.gz ORALTZPUSIHPLY-OAQYLSRUSA-N 0 3 360.461 3.087 20 30 FGEDHN C=CCC(CC=C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000128978256 495177166 /nfs/dbraw/zinc/17/71/66/495177166.db2.gz JLESXVLYQFTJCH-GOSISDBHSA-N 0 3 355.482 3.091 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000102994165 495180672 /nfs/dbraw/zinc/18/06/72/495180672.db2.gz KMIWIAXILSALSS-UHFFFAOYSA-N 0 3 355.463 3.229 20 30 FGEDHN C[C@]1(NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN(Cc2ccccc2)C1 ZINC000574404995 505765943 /nfs/dbraw/zinc/76/59/43/505765943.db2.gz XKSFPDYKSMHHCM-IBGZPJMESA-N 0 3 369.856 3.393 20 30 FGEDHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000119692415 495219620 /nfs/dbraw/zinc/21/96/20/495219620.db2.gz QVZIBXKNRZVBPF-WMLDXEAASA-N 0 3 361.461 3.397 20 30 FGEDHN CN(C)C(=O)c1cccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000103329449 495223159 /nfs/dbraw/zinc/22/31/59/495223159.db2.gz JNIBIPXSOJPEJD-AWEZNQCLSA-N 0 3 361.323 3.292 20 30 FGEDHN CC[C@@H](OC1CCCC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000112791678 495241199 /nfs/dbraw/zinc/24/11/99/495241199.db2.gz PUNQSVUUNXCGJC-HXUWFJFHSA-N 0 3 357.498 3.186 20 30 FGEDHN N#Cc1cccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1Br ZINC000571611545 505772180 /nfs/dbraw/zinc/77/21/80/505772180.db2.gz COKSXHHQCMOBGM-ZDUSSCGKSA-N 0 3 362.271 3.067 20 30 FGEDHN C[C@H](NC1(CNC(=O)c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000113235572 495287301 /nfs/dbraw/zinc/28/73/01/495287301.db2.gz WDABLSRLHWFDAD-KRWDZBQOSA-N 0 3 363.461 3.188 20 30 FGEDHN Cc1ccc2c(c1)[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000574444890 505774752 /nfs/dbraw/zinc/77/47/52/505774752.db2.gz GWEFDEANFFKYPO-HXUWFJFHSA-N 0 3 354.475 3.308 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000577697770 505776648 /nfs/dbraw/zinc/77/66/48/505776648.db2.gz QVIWDHVCEHBSHI-CSMYWGQOSA-N 0 3 373.522 3.373 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000136496035 495384091 /nfs/dbraw/zinc/38/40/91/495384091.db2.gz VQRKZRIERUDLIU-CYBMUJFWSA-N 0 3 370.396 3.459 20 30 FGEDHN C#Cc1cccc(NC(=O)N(C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000105718748 495389112 /nfs/dbraw/zinc/38/91/12/495389112.db2.gz ZYYIEQICAHTUAV-UHFFFAOYSA-N 0 3 362.477 3.234 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000125117816 495393194 /nfs/dbraw/zinc/39/31/94/495393194.db2.gz ITNCJOMNFCFWNW-QRWLVFNGSA-N 0 3 366.440 3.017 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CCC1CCOCC1 ZINC000120525535 495397674 /nfs/dbraw/zinc/39/76/74/495397674.db2.gz HKJQASASRMNKDZ-INIZCTEOSA-N 0 3 361.461 3.209 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000106035705 495406029 /nfs/dbraw/zinc/40/60/29/495406029.db2.gz BNBKEJORRUKZSQ-UHFFFAOYSA-N 0 3 372.509 3.134 20 30 FGEDHN CCC(CC)CN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000114725702 495416203 /nfs/dbraw/zinc/41/62/03/495416203.db2.gz KDFBWKREDWBRPL-UHFFFAOYSA-N 0 3 353.470 3.441 20 30 FGEDHN COc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1OCCCC#N ZINC000120639656 495425481 /nfs/dbraw/zinc/42/54/81/495425481.db2.gz QIBPDUYBPOSCFA-GOSISDBHSA-N 0 3 366.465 3.141 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CCC1CCOCC1 ZINC000120660616 495429807 /nfs/dbraw/zinc/42/98/07/495429807.db2.gz WYVDTECJKGWRAK-KRWDZBQOSA-N 0 3 373.497 3.079 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000125797860 495500802 /nfs/dbraw/zinc/50/08/02/495500802.db2.gz KESZPXRTXNUEIP-XJKSGUPXSA-N 0 3 362.376 3.250 20 30 FGEDHN C[C@@H](O)[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000106864904 495502616 /nfs/dbraw/zinc/50/26/16/495502616.db2.gz HYLFGMQEUSTJQY-CZUORRHYSA-N 0 3 361.511 3.062 20 30 FGEDHN COc1ccc(CCCN(C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000125895144 495514936 /nfs/dbraw/zinc/51/49/36/495514936.db2.gz POSPYNVQZQLKLK-KRWDZBQOSA-N 0 3 357.498 3.291 20 30 FGEDHN CC1CCC(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)CC1 ZINC000115565749 495518402 /nfs/dbraw/zinc/51/84/02/495518402.db2.gz ZPQRXKWSPYKQQW-UHFFFAOYSA-N 0 3 374.916 3.346 20 30 FGEDHN CC[C@@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCCO1 ZINC000182378784 495539680 /nfs/dbraw/zinc/53/96/80/495539680.db2.gz AKQKJHGQPSKBMR-MSOLQXFVSA-N 0 3 363.889 3.442 20 30 FGEDHN N#Cc1ccc(CC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000170636462 495540928 /nfs/dbraw/zinc/54/09/28/495540928.db2.gz IBVCXIWDTNPGTA-UHFFFAOYSA-N 0 3 361.489 3.268 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179379644 495568020 /nfs/dbraw/zinc/56/80/20/495568020.db2.gz VLMMGNMCWIUZKO-GFCCVEGCSA-N 0 3 374.432 3.103 20 30 FGEDHN Cc1cc(C)n(Cc2ccc(C(=O)C(C#N)c3cc(C)nc(C)n3)cc2)n1 ZINC000147022951 495572191 /nfs/dbraw/zinc/57/21/91/495572191.db2.gz NWKFMPNGNKKBFV-IBGZPJMESA-N 0 3 359.433 3.445 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182600058 495630693 /nfs/dbraw/zinc/63/06/93/495630693.db2.gz ADWNELUMWBSRJK-LJQANCHMSA-N 0 3 358.873 3.427 20 30 FGEDHN CCN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159117485 495662990 /nfs/dbraw/zinc/66/29/90/495662990.db2.gz KEMQRVSIHCERGS-OAQYLSRUSA-N 0 3 362.477 3.364 20 30 FGEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000159240306 495691674 /nfs/dbraw/zinc/69/16/74/495691674.db2.gz QWJYHEJETBZTAG-UHFFFAOYSA-N 0 3 360.477 3.351 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(OC)cc2Cl)CC1 ZINC000159340936 495712570 /nfs/dbraw/zinc/71/25/70/495712570.db2.gz CKYJZIDRDGYMTD-UHFFFAOYSA-N 0 3 365.905 3.231 20 30 FGEDHN CNC(=O)c1ccc(CN(C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000179758134 495721819 /nfs/dbraw/zinc/72/18/19/495721819.db2.gz IUVQKQWBXHMYLV-UHFFFAOYSA-N 0 3 350.466 3.028 20 30 FGEDHN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571730801 505800829 /nfs/dbraw/zinc/80/08/29/505800829.db2.gz TVUKGIYIRLICAZ-IERDGZPVSA-N 0 3 354.425 3.239 20 30 FGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1COc2ccccc21 ZINC000180004395 495818044 /nfs/dbraw/zinc/81/80/44/495818044.db2.gz VDFXQHXJTFDWTR-RYGJVYDSSA-N 0 3 361.445 3.208 20 30 FGEDHN C[C@@H](ON=C(N)c1ccccc1CN1CCCCC1)c1nc(C2CC2)no1 ZINC000174131605 495830991 /nfs/dbraw/zinc/83/09/91/495830991.db2.gz FPMUTVIFVZRFBB-CQSZACIVSA-N 0 3 369.469 3.331 20 30 FGEDHN Cn1cc(CN2CCC(Cc3nccn3C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180113796 495863167 /nfs/dbraw/zinc/86/31/67/495863167.db2.gz VYGDFPFZFFYBQA-UHFFFAOYSA-N 0 3 374.492 3.147 20 30 FGEDHN CN(C)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180155841 495884139 /nfs/dbraw/zinc/88/41/39/495884139.db2.gz QQLZMFPESYAIJZ-UHFFFAOYSA-N 0 3 363.440 3.454 20 30 FGEDHN C=CCN(CCC(=O)Nc1cc(N)ccc1F)Cc1ccc(OC)cc1 ZINC000177017614 495885070 /nfs/dbraw/zinc/88/50/70/495885070.db2.gz RFLUPVDRDBMCPN-UHFFFAOYSA-N 0 3 357.429 3.433 20 30 FGEDHN Cn1cc(CNCc2ccc(OCC#N)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180173727 495890941 /nfs/dbraw/zinc/89/09/41/495890941.db2.gz DOQYZBPNUMTXJF-UHFFFAOYSA-N 0 3 357.417 3.151 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000155445863 495959223 /nfs/dbraw/zinc/95/92/23/495959223.db2.gz CQHDRORKLFJSIZ-UHFFFAOYSA-N 0 3 369.509 3.442 20 30 FGEDHN C[C@H](C[C@H](O)c1ccco1)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351225 495962412 /nfs/dbraw/zinc/96/24/12/495962412.db2.gz OTOVBNJNEWSAGV-KDOFPFPSSA-N 0 3 350.422 3.154 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000571785589 505814631 /nfs/dbraw/zinc/81/46/31/505814631.db2.gz WUBYMOYXROPPDT-IERDGZPVSA-N 0 3 365.452 3.267 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)n2c1 ZINC000180363805 495966718 /nfs/dbraw/zinc/96/67/18/495966718.db2.gz SYZQIVUKVWMVHP-CQSZACIVSA-N 0 3 369.831 3.367 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)CC1 ZINC000171719138 496006036 /nfs/dbraw/zinc/00/60/36/496006036.db2.gz CMRPQWUZXVDHBQ-UHFFFAOYSA-N 0 3 364.493 3.050 20 30 FGEDHN C=CCN1CCC(NC(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000171721667 496007246 /nfs/dbraw/zinc/00/72/46/496007246.db2.gz LUHLHUUKOMGEPM-UHFFFAOYSA-N 0 3 350.462 3.499 20 30 FGEDHN N#Cc1ccc(OCCNCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000174557869 496008603 /nfs/dbraw/zinc/00/86/03/496008603.db2.gz VACDQYYRUXEQCL-NRFANRHFSA-N 0 3 352.434 3.285 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Cc3ccccc3OC)CC2)CC1 ZINC000171737182 496013279 /nfs/dbraw/zinc/01/32/79/496013279.db2.gz LDHKTXXGLUWGSV-UHFFFAOYSA-N 0 3 371.525 3.310 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Cc3ccc(OC)cc3)CC2)CC1 ZINC000171737822 496014588 /nfs/dbraw/zinc/01/45/88/496014588.db2.gz ARQZCELZLINFHW-UHFFFAOYSA-N 0 3 371.525 3.310 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cccc(-n2cccn2)c1 ZINC000183574018 496036396 /nfs/dbraw/zinc/03/63/96/496036396.db2.gz LIWAOMUHDNIEEV-AWEZNQCLSA-N 0 3 365.462 3.485 20 30 FGEDHN COc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1NC(C)=O ZINC000180555152 496043196 /nfs/dbraw/zinc/04/31/96/496043196.db2.gz JANZWUXEDDYNBW-CQSZACIVSA-N 0 3 353.422 3.407 20 30 FGEDHN CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC ZINC000571816906 505820272 /nfs/dbraw/zinc/82/02/72/505820272.db2.gz BAHCIRCZPPGZHN-QGZVFWFLSA-N 0 3 366.513 3.395 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000174679551 496058415 /nfs/dbraw/zinc/05/84/15/496058415.db2.gz RSCLZWMOIYPLIB-ISKFKSNPSA-N 0 3 373.500 3.353 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000155888782 496098774 /nfs/dbraw/zinc/09/87/74/496098774.db2.gz SXIMNRULDRTPDZ-KDURUIRLSA-N 0 3 358.501 3.389 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(CC#N)c1 ZINC000171942075 496102124 /nfs/dbraw/zinc/10/21/24/496102124.db2.gz IMZFWKLSMNOULN-OAQYLSRUSA-N 0 3 362.477 3.274 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186692271 496110618 /nfs/dbraw/zinc/11/06/18/496110618.db2.gz NOJXHCYUGHMKRR-NFBKMPQASA-N 0 3 365.473 3.286 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177567157 496114712 /nfs/dbraw/zinc/11/47/12/496114712.db2.gz KFYSMBUDIZQMEW-KURKYZTESA-N 0 3 355.482 3.452 20 30 FGEDHN CC[C@H](CC#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000183839047 496132569 /nfs/dbraw/zinc/13/25/69/496132569.db2.gz ZGRDHSSXSGSRIJ-WBVHZDCISA-N 0 3 353.388 3.249 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCN(C)C1CC1 ZINC000186744197 496132682 /nfs/dbraw/zinc/13/26/82/496132682.db2.gz DALNNWINBAYJAN-HNNXBMFYSA-N 0 3 360.527 3.045 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000186777283 496146606 /nfs/dbraw/zinc/14/66/06/496146606.db2.gz ZTDACPPXPYMXII-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[C@@H]1c1ccccc1 ZINC000174884898 496148382 /nfs/dbraw/zinc/14/83/82/496148382.db2.gz FIHZAIBPYSFHMP-ICSRJNTNSA-N 0 3 352.482 3.158 20 30 FGEDHN N#Cc1csc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000177683291 496158590 /nfs/dbraw/zinc/15/85/90/496158590.db2.gz JXHWFGSHSUNAHV-GOSISDBHSA-N 0 3 361.898 3.436 20 30 FGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000152487319 496166271 /nfs/dbraw/zinc/16/62/71/496166271.db2.gz YXDBLDQMMLNHFP-HXUWFJFHSA-N 0 3 368.525 3.307 20 30 FGEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000177731054 496175941 /nfs/dbraw/zinc/17/59/41/496175941.db2.gz JJKLVMKMRJRSEM-HAWMADMCSA-N 0 3 369.490 3.317 20 30 FGEDHN CC(C)Sc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180869549 496179669 /nfs/dbraw/zinc/17/96/69/496179669.db2.gz DOWWVICQBKBFNT-JGWKNBOWSA-N 0 3 359.495 3.364 20 30 FGEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)N(CCC#N)CCC#N ZINC000177741483 496180149 /nfs/dbraw/zinc/18/01/49/496180149.db2.gz PRDBPYIYFFPRLA-HOTGVXAUSA-N 0 3 360.889 3.420 20 30 FGEDHN CN(C)C1(CN(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCC1 ZINC000186858814 496183390 /nfs/dbraw/zinc/18/33/90/496183390.db2.gz OCYCWYAPJBWJPI-UHFFFAOYSA-N 0 3 367.415 3.183 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1F ZINC000161775336 496235673 /nfs/dbraw/zinc/23/56/73/496235673.db2.gz MNZBLMWJISHDDQ-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN COc1cc(OC)cc([C@H]2CCN(C[C@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000156672613 496307438 /nfs/dbraw/zinc/30/74/38/496307438.db2.gz ZTUQVTOIJHHMTR-UWJYYQICSA-N 0 3 352.434 3.098 20 30 FGEDHN C=CC[C@@H](CO)NCc1cc(Br)c(OCCC)c(OC)c1 ZINC000184278452 496316574 /nfs/dbraw/zinc/31/65/74/496316574.db2.gz FCPMKZIVKOTCIM-ZDUSSCGKSA-N 0 3 358.276 3.273 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)[nH]1 ZINC000162305109 496332310 /nfs/dbraw/zinc/33/23/10/496332310.db2.gz IGRVFJHPJAZUDI-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN N#Cc1cccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000153104633 496355295 /nfs/dbraw/zinc/35/52/95/496355295.db2.gz SMQDWFRQLGKLGA-HXUWFJFHSA-N 0 3 371.444 3.454 20 30 FGEDHN C[C@H]1CCN(C(=O)NCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000175445805 496394497 /nfs/dbraw/zinc/39/44/97/496394497.db2.gz UBTRCXMJSCHJGD-SFHVURJKSA-N 0 3 362.477 3.364 20 30 FGEDHN CC1CCN(C(=O)C2CCN(CCCOc3cccc(C#N)c3)CC2)CC1 ZINC000178301557 496404314 /nfs/dbraw/zinc/40/43/14/496404314.db2.gz IVWNGMOLNCUDTO-UHFFFAOYSA-N 0 3 369.509 3.298 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CCN(CC=C)CC1 ZINC000187829278 496586287 /nfs/dbraw/zinc/58/62/87/496586287.db2.gz RDHYPVRKFBGPNV-UHFFFAOYSA-N 0 3 369.509 3.244 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc2ccccc2s1 ZINC000164707393 496628400 /nfs/dbraw/zinc/62/84/00/496628400.db2.gz JJQPZGAROLUKCL-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN CN(C)C1(CN(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CCC1 ZINC000188044423 496662182 /nfs/dbraw/zinc/66/21/82/496662182.db2.gz WAEARAPUARLGNC-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000173374673 496663909 /nfs/dbraw/zinc/66/39/09/496663909.db2.gz KFTJHTLVHNOIAC-OAHLLOKOSA-N 0 3 354.458 3.048 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC(C)(C)C)CC(C)(C)C)CC1 ZINC000569135554 505860096 /nfs/dbraw/zinc/86/00/96/505860096.db2.gz ZLASRBPAKMIDQP-UHFFFAOYSA-N 0 3 365.562 3.064 20 30 FGEDHN COc1ccc([C@@H](CNc2nc(C)cc(C)c2C#N)N(C)C)cc1OC ZINC000194905912 496755964 /nfs/dbraw/zinc/75/59/64/496755964.db2.gz WYEYAFXWUAJANZ-QGZVFWFLSA-N 0 3 354.454 3.302 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1COc2ccccc21)C(C)C ZINC000569166989 505867416 /nfs/dbraw/zinc/86/74/16/505867416.db2.gz YNDWLIYYELHAPS-IEBWSBKVSA-N 0 3 357.498 3.160 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1COc2ccccc21)C(C)C ZINC000569166988 505867554 /nfs/dbraw/zinc/86/75/54/505867554.db2.gz YNDWLIYYELHAPS-HKUYNNGSSA-N 0 3 357.498 3.160 20 30 FGEDHN C[C@H](Oc1cccc(F)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000195142188 496833831 /nfs/dbraw/zinc/83/38/31/496833831.db2.gz BVTJXALAADHEBP-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN Cc1ccc(SCCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000569174856 505868804 /nfs/dbraw/zinc/86/88/04/505868804.db2.gz XQPPPYAMVOVYPB-UHFFFAOYSA-N 0 3 360.504 3.022 20 30 FGEDHN C=CCC[C@@H](NC(=O)NCCCCN1CCN(CC)CC1)c1ccccc1 ZINC000269335568 496922555 /nfs/dbraw/zinc/92/25/55/496922555.db2.gz DONBDEVAGMHUNP-OAQYLSRUSA-N 0 3 372.557 3.411 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1snnc1C(C)(C)C)C(C)C ZINC000191952686 496941439 /nfs/dbraw/zinc/94/14/39/496941439.db2.gz WZQVQQVRNMECAC-CQSZACIVSA-N 0 3 350.532 3.264 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000248093827 496953859 /nfs/dbraw/zinc/95/38/59/496953859.db2.gz CRHUAOAYRMCZPE-INIZCTEOSA-N 0 3 367.449 3.042 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCSCc1ccccc1C#N ZINC000195635976 496955738 /nfs/dbraw/zinc/95/57/38/496955738.db2.gz SCCANVLBAWZAAS-IAGOWNOFSA-N 0 3 374.554 3.211 20 30 FGEDHN CN1CC[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000248135385 496960363 /nfs/dbraw/zinc/96/03/63/496960363.db2.gz XJTQSJPIOXMQOF-KSTHTBMUSA-N 0 3 361.445 3.164 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CC1 ZINC000264761228 496979614 /nfs/dbraw/zinc/97/96/14/496979614.db2.gz IIJTUACVRRJMKE-UHFFFAOYSA-N 0 3 374.460 3.115 20 30 FGEDHN N#CCCCOc1cccc(CNCCN2CCc3ccccc3C2=O)c1 ZINC000189050562 496991952 /nfs/dbraw/zinc/99/19/52/496991952.db2.gz NGVKASRSHFTHMV-UHFFFAOYSA-N 0 3 363.461 3.157 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccccc3Cl)c2CC)CC1 ZINC000192120341 497000523 /nfs/dbraw/zinc/00/05/23/497000523.db2.gz SUTPYRWOVJQDFR-UHFFFAOYSA-N 0 3 370.884 3.372 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000192152801 497014790 /nfs/dbraw/zinc/01/47/90/497014790.db2.gz SOUVBPPARFXXJW-IEBWSBKVSA-N 0 3 357.816 3.412 20 30 FGEDHN COc1ccc(CN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C2CC2)cc1 ZINC000248527247 497031623 /nfs/dbraw/zinc/03/16/23/497031623.db2.gz DBPBWCDPJONWSM-IERDGZPVSA-N 0 3 357.498 3.350 20 30 FGEDHN CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(C#N)cc1 ZINC000278257858 497053733 /nfs/dbraw/zinc/05/37/33/497053733.db2.gz NHXYNUTUCPFFSV-AUUYWEPGSA-N 0 3 357.479 3.268 20 30 FGEDHN COc1ccccc1S(=O)(=O)CCCN[C@H](C)c1ccc(C#N)cc1 ZINC000274280731 497060446 /nfs/dbraw/zinc/06/04/46/497060446.db2.gz DDCNOFMGBSJEFK-OAHLLOKOSA-N 0 3 358.463 3.081 20 30 FGEDHN N#CCCCOc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000265448462 497122462 /nfs/dbraw/zinc/12/24/62/497122462.db2.gz SJXKORURZHCFSV-UHFFFAOYSA-N 0 3 371.481 3.343 20 30 FGEDHN C[C@H](O)c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278593077 497160244 /nfs/dbraw/zinc/16/02/44/497160244.db2.gz HEKQMZSWRWVIAB-INIZCTEOSA-N 0 3 361.449 3.202 20 30 FGEDHN CCOCCOCc1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000236927831 497169698 /nfs/dbraw/zinc/16/96/98/497169698.db2.gz LCNSQPPHQOYWEN-UHFFFAOYSA-N 0 3 364.449 3.049 20 30 FGEDHN N#Cc1cccc(NC(=O)CN(CCN2CCCCCC2)C2CCC2)c1 ZINC000569254686 505890369 /nfs/dbraw/zinc/89/03/69/505890369.db2.gz BTQJKRJXPKVTQO-UHFFFAOYSA-N 0 3 354.498 3.227 20 30 FGEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278824865 497233307 /nfs/dbraw/zinc/23/33/07/497233307.db2.gz STKZXXLFYGJXJO-LEWJYISDSA-N 0 3 363.461 3.409 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000249828544 497251417 /nfs/dbraw/zinc/25/14/17/497251417.db2.gz MAVCYNKVHKVLQV-MJGOQNOKSA-N 0 3 372.490 3.041 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC3CCOCC3)cc2)CC1 ZINC000266098707 497255204 /nfs/dbraw/zinc/25/52/04/497255204.db2.gz KGKKBIFIWCIAOZ-UHFFFAOYSA-N 0 3 358.482 3.015 20 30 FGEDHN Cc1nc2n(n1)C[C@H](NCc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000237709285 497279906 /nfs/dbraw/zinc/27/99/06/497279906.db2.gz LKORTSYPWFCHNA-HXUWFJFHSA-N 0 3 373.460 3.142 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3cnn4ccccc34)CC2)c1 ZINC000271185711 497283915 /nfs/dbraw/zinc/28/39/15/497283915.db2.gz QKSJTVUJZDCLDD-UHFFFAOYSA-N 0 3 359.433 3.057 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000252348554 497298706 /nfs/dbraw/zinc/29/87/06/497298706.db2.gz CSJPCXITENRSMM-DLBZAZTESA-N 0 3 372.538 3.189 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(-n2cccn2)c1 ZINC000569290893 505898062 /nfs/dbraw/zinc/89/80/62/505898062.db2.gz KDLVPQQIZUFVIY-UHFFFAOYSA-N 0 3 359.477 3.308 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1OC ZINC000275385260 497308885 /nfs/dbraw/zinc/30/88/85/497308885.db2.gz YZDRACQMVDVPOA-UWJYYQICSA-N 0 3 371.481 3.230 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc[nH]2)c(OC)c1 ZINC000255356892 497365191 /nfs/dbraw/zinc/36/51/91/497365191.db2.gz OQSNRDUWXCSUDF-MJGOQNOKSA-N 0 3 356.466 3.329 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccco1 ZINC000279438332 497439027 /nfs/dbraw/zinc/43/90/27/497439027.db2.gz FBUBXBXQBKLOMJ-RBUKOAKNSA-N 0 3 364.449 3.033 20 30 FGEDHN CO[C@H](C)c1nc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000271844117 497467654 /nfs/dbraw/zinc/46/76/54/497467654.db2.gz HJGKJJKVLUHVNE-OAHLLOKOSA-N 0 3 370.522 3.476 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC2(CCN2C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000193752472 497469221 /nfs/dbraw/zinc/46/92/21/497469221.db2.gz BLIIWIZJIQVQMU-SFHVURJKSA-N 0 3 371.481 3.067 20 30 FGEDHN N#Cc1cccnc1NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267174756 497497045 /nfs/dbraw/zinc/49/70/45/497497045.db2.gz IZZNZJUIAKCKHU-UHFFFAOYSA-N 0 3 350.466 3.436 20 30 FGEDHN Cc1cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)nn1CCC#N ZINC000272035653 497519859 /nfs/dbraw/zinc/51/98/59/497519859.db2.gz FAKAHMXMWONLEA-SFHVURJKSA-N 0 3 366.469 3.064 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN(C)[C@H](C)c2ccncc2)c(OC)c1 ZINC000245745172 497525409 /nfs/dbraw/zinc/52/54/09/497525409.db2.gz GQIQPZPGTMLOGF-VQIMIIECSA-N 0 3 356.466 3.251 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(NC(=O)N(C)C)c2C)CC1 ZINC000279795410 497544009 /nfs/dbraw/zinc/54/40/09/497544009.db2.gz YKUVVNMSVVDVJW-UHFFFAOYSA-N 0 3 373.501 3.251 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCCc4cc(F)ccc43)C2=O)cc1 ZINC000190625043 497550672 /nfs/dbraw/zinc/55/06/72/497550672.db2.gz DKIBYXMKJUIKKF-RTWAWAEBSA-N 0 3 363.436 3.465 20 30 FGEDHN CCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633032 497554284 /nfs/dbraw/zinc/55/42/84/497554284.db2.gz QURVITLNODGZSI-KKSFZXQISA-N 0 3 363.461 3.409 20 30 FGEDHN COc1ccc(OC)c([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000245997526 497593481 /nfs/dbraw/zinc/59/34/81/497593481.db2.gz JHXGWPCQKRRACD-WOJBJXKFSA-N 0 3 352.434 3.446 20 30 FGEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000581129055 505916679 /nfs/dbraw/zinc/91/66/79/505916679.db2.gz KFUSMTAJHJUVPU-SJORKVTESA-N 0 3 367.497 3.344 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)cc1OC ZINC000246079681 497614741 /nfs/dbraw/zinc/61/47/41/497614741.db2.gz TXCRNLSHYJTRGA-RTBURBONSA-N 0 3 352.434 3.446 20 30 FGEDHN N#CC(C(=O)c1cccc(N2CCCNC2=O)c1)c1cnc2ccccc2n1 ZINC000190887712 497633356 /nfs/dbraw/zinc/63/33/56/497633356.db2.gz RMDFOJQEESTEKO-MRXNPFEDSA-N 0 3 371.400 3.040 20 30 FGEDHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1[O-] ZINC000280062265 497635578 /nfs/dbraw/zinc/63/55/78/497635578.db2.gz KMPWRJYTDRQUJI-PMACEKPBSA-N 0 3 363.461 3.414 20 30 FGEDHN C=C(C)CN1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272493853 497642915 /nfs/dbraw/zinc/64/29/15/497642915.db2.gz FMAYRBNIQLQWBO-LJQANCHMSA-N 0 3 369.469 3.048 20 30 FGEDHN Cc1ccnc(OC2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1 ZINC000280139378 497661947 /nfs/dbraw/zinc/66/19/47/497661947.db2.gz VSJRXIOJIZHAJK-IBGZPJMESA-N 0 3 374.444 3.014 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2cccc(OCC#N)c2)CN1Cc1ccccc1 ZINC000268117690 497680730 /nfs/dbraw/zinc/68/07/30/497680730.db2.gz FCHVFAZYXHBKND-LPHOPBHVSA-N 0 3 364.449 3.373 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)Cc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000194714068 497746978 /nfs/dbraw/zinc/74/69/78/497746978.db2.gz ONLQAWVMHOEIJF-UHFFFAOYSA-N 0 3 362.477 3.190 20 30 FGEDHN C[C@H](NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C1=CCN(C)CC1 ZINC000272892181 497754105 /nfs/dbraw/zinc/75/41/05/497754105.db2.gz ZLAHJDKMMYAZJL-AWEZNQCLSA-N 0 3 365.399 3.007 20 30 FGEDHN C=C(C)COCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246630536 497791506 /nfs/dbraw/zinc/79/15/06/497791506.db2.gz XEGBNJFTPDYVOO-NVXWUHKLSA-N 0 3 351.516 3.023 20 30 FGEDHN C[C@H](CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1 ZINC000277288670 497795933 /nfs/dbraw/zinc/79/59/33/497795933.db2.gz RAIHUKHLXMDOEN-FOIQADDNSA-N 0 3 351.425 3.192 20 30 FGEDHN Cc1cnn([C@@H]2CCN(C(=O)NCCN3CCC4(CCCCC4)CC3)C2)c1 ZINC000329545916 497824799 /nfs/dbraw/zinc/82/47/99/497824799.db2.gz GYOGCKPMKKDKMA-LJQANCHMSA-N 0 3 373.545 3.399 20 30 FGEDHN N=C(NCCCCn1cc(Br)cn1)Nc1cc(F)ccc1F ZINC000288631108 497852291 /nfs/dbraw/zinc/85/22/91/497852291.db2.gz BAUQCXRWKPHZAJ-UHFFFAOYSA-N 0 3 372.217 3.131 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000329722043 497879937 /nfs/dbraw/zinc/87/99/37/497879937.db2.gz NFVYOPZPZIHWAN-XLIONFOSSA-N 0 3 371.525 3.316 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)[C@@H]1OCCc2sccc21 ZINC000292117437 497885041 /nfs/dbraw/zinc/88/50/41/497885041.db2.gz ACIRWIHAJJYPRX-YJYMSZOUSA-N 0 3 358.463 3.299 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000329804673 497908742 /nfs/dbraw/zinc/90/87/42/497908742.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 0 3 367.497 3.024 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000329804673 497908748 /nfs/dbraw/zinc/90/87/48/497908748.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 0 3 367.497 3.024 20 30 FGEDHN CCc1c(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cnn1-c1ccccc1 ZINC000329810809 497909463 /nfs/dbraw/zinc/90/94/63/497909463.db2.gz QXVZOLGAYCMPSB-DNVCBOLYSA-N 0 3 353.470 3.006 20 30 FGEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000280828114 497913887 /nfs/dbraw/zinc/91/38/87/497913887.db2.gz WHMAHUYXAZSYCH-MJGOQNOKSA-N 0 3 366.465 3.285 20 30 FGEDHN Cc1ccc(-n2cc(NC(=O)N3CC[C@H]4CCN(C)C[C@H]43)cn2)c(C)c1 ZINC000329847922 497924699 /nfs/dbraw/zinc/92/46/99/497924699.db2.gz RGQCMBAZFOIUHF-VQIMIIECSA-N 0 3 353.470 3.061 20 30 FGEDHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H]1CCN(C)[C@H](C)C1)CC2 ZINC000329851746 497927911 /nfs/dbraw/zinc/92/79/11/497927911.db2.gz UBGJLDPQXCXNSA-RAIGVLPGSA-N 0 3 370.419 3.348 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)[N-]C2CCC2)cc1 ZINC000292230139 497931049 /nfs/dbraw/zinc/93/10/49/497931049.db2.gz ATUMIDKNROJVOJ-UHFFFAOYSA-O 0 3 367.494 3.394 20 30 FGEDHN CC(C)NC(=O)NC1(C(=O)NC2CCN(C3CC3)CC2)CCCCC1 ZINC000329895760 497942674 /nfs/dbraw/zinc/94/26/74/497942674.db2.gz CBXHHIQNAFWCKS-UHFFFAOYSA-N 0 3 350.507 3.185 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C3CC3)C2)cc1 ZINC000288924622 497945399 /nfs/dbraw/zinc/94/53/99/497945399.db2.gz VCAHSPMBTZLSHS-ZFWWWQNUSA-N 0 3 361.467 3.026 20 30 FGEDHN O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329937646 497961388 /nfs/dbraw/zinc/96/13/88/497961388.db2.gz DQNKKHBGIUKWDQ-IAGOWNOFSA-N 0 3 365.543 3.052 20 30 FGEDHN N#CCC[C@H](C#N)CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000578499581 505955807 /nfs/dbraw/zinc/95/58/07/505955807.db2.gz RQTMCZKBYCDOKG-NVXWUHKLSA-N 0 3 350.388 3.313 20 30 FGEDHN CC(C(=O)N[C@H]1CCSc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000330035115 497997874 /nfs/dbraw/zinc/99/78/74/497997874.db2.gz BNNHFGWAUPJDLO-DOMZBBRYSA-N 0 3 369.508 3.162 20 30 FGEDHN C#CCNC(=O)c1ccc(NC[C@@H](c2ccc(C)cc2)N2CCCC2)nc1 ZINC000301221525 498005675 /nfs/dbraw/zinc/00/56/75/498005675.db2.gz BOWQZGIZGFSYLO-FQEVSTJZSA-N 0 3 362.477 3.002 20 30 FGEDHN C[C@@H]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)O1 ZINC000330073677 498010415 /nfs/dbraw/zinc/01/04/15/498010415.db2.gz FFAUCAAWACRKAU-KDOFPFPSSA-N 0 3 350.434 3.193 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364548490 498018227 /nfs/dbraw/zinc/01/82/27/498018227.db2.gz ZHGRLXDPDDDNFX-QGZVFWFLSA-N 0 3 359.514 3.459 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)c(C)cc2Cl)CC1 ZINC000296549882 498090479 /nfs/dbraw/zinc/09/04/79/498090479.db2.gz MUDGIOAYAJWDEQ-UHFFFAOYSA-N 0 3 363.889 3.052 20 30 FGEDHN CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000285454948 498090604 /nfs/dbraw/zinc/09/06/04/498090604.db2.gz MOXDWOLVQXEMQB-IEBWSBKVSA-N 0 3 370.449 3.056 20 30 FGEDHN CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000330330665 498106382 /nfs/dbraw/zinc/10/63/82/498106382.db2.gz NLKLXSDODNDYAL-CHWSQXEVSA-N 0 3 358.408 3.295 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000364719320 498111213 /nfs/dbraw/zinc/11/12/13/498111213.db2.gz AIYZVKYPULXIAA-INIZCTEOSA-N 0 3 373.460 3.019 20 30 FGEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 ZINC000330487751 498140697 /nfs/dbraw/zinc/14/06/97/498140697.db2.gz HALGAVKIWKAAMA-SFHVURJKSA-N 0 3 374.529 3.277 20 30 FGEDHN CC[C@H](CC#N)N[C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000364841986 498169251 /nfs/dbraw/zinc/16/92/51/498169251.db2.gz TWHIVXWWVPDPCE-QBPKDAKJSA-N 0 3 351.491 3.073 20 30 FGEDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(OC)c(OCCCC#N)c1 ZINC000292851374 498171826 /nfs/dbraw/zinc/17/18/26/498171826.db2.gz ZIDTUQWNPTZCSN-MRXNPFEDSA-N 0 3 361.486 3.020 20 30 FGEDHN COc1ccc(OC(C)C)c(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000330714822 498179254 /nfs/dbraw/zinc/17/92/54/498179254.db2.gz SGSLOPTXVKHIOG-DOTOQJQBSA-N 0 3 367.515 3.005 20 30 FGEDHN CCCCNC(=O)c1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000281571560 498198921 /nfs/dbraw/zinc/19/89/21/498198921.db2.gz COFJZVHWIGNDNZ-UHFFFAOYSA-N 0 3 351.450 3.387 20 30 FGEDHN CS[C@H]1CN(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@H]1N(C)C ZINC000330871771 498209137 /nfs/dbraw/zinc/20/91/37/498209137.db2.gz RGXFPZOEMWNLMK-CABCVRRESA-N 0 3 355.891 3.066 20 30 FGEDHN COc1cc(C)c(Br)cc1NC(=O)NCC1=CCN(C)CC1 ZINC000330912258 498216409 /nfs/dbraw/zinc/21/64/09/498216409.db2.gz HTRJDKLHCDZEEC-UHFFFAOYSA-N 0 3 368.275 3.354 20 30 FGEDHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330915404 498217112 /nfs/dbraw/zinc/21/71/12/498217112.db2.gz UDVFIPQMNVFYJB-SDDRHHMPSA-N 0 3 372.296 3.285 20 30 FGEDHN CC1(C#N)CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000285862181 498223057 /nfs/dbraw/zinc/22/30/57/498223057.db2.gz RBHNRKAXMXRTBG-KRWDZBQOSA-N 0 3 361.436 3.296 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000285874431 498226579 /nfs/dbraw/zinc/22/65/79/498226579.db2.gz DBFAAHQQDIXXKB-QGZVFWFLSA-N 0 3 366.440 3.224 20 30 FGEDHN N#Cc1ccc(CC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285889146 498232174 /nfs/dbraw/zinc/23/21/74/498232174.db2.gz RGVWQXYZVHKBMG-QHCPKHFHSA-N 0 3 359.473 3.225 20 30 FGEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000281879066 498302416 /nfs/dbraw/zinc/30/24/16/498302416.db2.gz PEPJJUASYRMLPJ-MJGOQNOKSA-N 0 3 373.497 3.218 20 30 FGEDHN Cc1cc(C)c(Br)c(C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000331343751 498306456 /nfs/dbraw/zinc/30/64/56/498306456.db2.gz ULYIWUWUEXUYCU-CQSZACIVSA-N 0 3 369.303 3.217 20 30 FGEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000578758942 506014812 /nfs/dbraw/zinc/01/48/12/506014812.db2.gz GTVXXCCNEIQCHZ-AEFFLSMTSA-N 0 3 371.456 3.475 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 ZINC000281923641 498320868 /nfs/dbraw/zinc/32/08/68/498320868.db2.gz JRPVXDHQJDSYTA-UHFFFAOYSA-N 0 3 363.889 3.052 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)CC1 ZINC000297219484 498363629 /nfs/dbraw/zinc/36/36/29/498363629.db2.gz VZGKFIXOOWNHQU-QRWLVFNGSA-N 0 3 370.497 3.220 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCCN(c2ccc(F)cc2)CC1 ZINC000361685175 498418947 /nfs/dbraw/zinc/41/89/47/498418947.db2.gz MITCJYAQYZMVEF-UHFFFAOYSA-N 0 3 372.469 3.300 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000365404745 498449647 /nfs/dbraw/zinc/44/96/47/498449647.db2.gz TVQVISYFXRCXEQ-IAGOWNOFSA-N 0 3 350.447 3.103 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1c(C#N)cnc2ccccc21 ZINC000302429252 498482347 /nfs/dbraw/zinc/48/23/47/498482347.db2.gz KVMDVDFSDLDAHZ-HSZRJFAPSA-N 0 3 372.472 3.180 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2c[nH]nc2C)CC1 ZINC000572742754 506041783 /nfs/dbraw/zinc/04/17/83/506041783.db2.gz NGWAPODNLVIGMI-IBGZPJMESA-N 0 3 355.482 3.066 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC(C#N)CC1 ZINC000331978999 498521138 /nfs/dbraw/zinc/52/11/38/498521138.db2.gz DZSNLLMJXRIENY-HXUWFJFHSA-N 0 3 368.525 3.405 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000332157908 498583568 /nfs/dbraw/zinc/58/35/68/498583568.db2.gz OVXCTKYTHUFJAG-QGZVFWFLSA-N 0 3 361.461 3.378 20 30 FGEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000365674438 498591816 /nfs/dbraw/zinc/59/18/16/498591816.db2.gz SCNPIVFWOOYTOQ-VQTJNVASSA-N 0 3 352.482 3.095 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC(C)(C)C2CC2)cc1 ZINC000297929320 498613154 /nfs/dbraw/zinc/61/31/54/498613154.db2.gz VKAHWOQBUUOGFH-ZDUSSCGKSA-N 0 3 363.483 3.320 20 30 FGEDHN N#CCCOCCNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000294293464 498646904 /nfs/dbraw/zinc/64/69/04/498646904.db2.gz WOVBGOZSIYFMBQ-UHFFFAOYSA-N 0 3 358.360 3.111 20 30 FGEDHN Cc1cc(Cl)c2ncc(C#N)c(N3CCN(C4CCOCC4)CC3)c2c1 ZINC000282858435 498682718 /nfs/dbraw/zinc/68/27/18/498682718.db2.gz OSMSSTBFZUMZSZ-UHFFFAOYSA-N 0 3 370.884 3.369 20 30 FGEDHN CN(C(=O)/C=C/c1ccccc1C#N)C1CCN(CCc2ccncc2)CC1 ZINC000363184478 498693038 /nfs/dbraw/zinc/69/30/38/498693038.db2.gz ZELNYTKMYHQXJZ-VOTSOKGWSA-N 0 3 374.488 3.132 20 30 FGEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2C)C1 ZINC000303617293 498698469 /nfs/dbraw/zinc/69/84/69/498698469.db2.gz MKNWANIVEVFOLB-MRXNPFEDSA-N 0 3 363.527 3.046 20 30 FGEDHN C=CCN(Cc1ncc([C@@H](C)O)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000366001930 498726793 /nfs/dbraw/zinc/72/67/93/498726793.db2.gz AXZCQDLCSXZADQ-AEFFLSMTSA-N 0 3 357.523 3.459 20 30 FGEDHN CC(C)N1CCN(CCCSc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000298419692 498765664 /nfs/dbraw/zinc/76/56/64/498765664.db2.gz WMVDYDMDFKMOBD-UHFFFAOYSA-N 0 3 372.460 3.480 20 30 FGEDHN COCCOc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1OC ZINC000576152636 506089160 /nfs/dbraw/zinc/08/91/60/506089160.db2.gz QTLVNKHTNVTWCH-HNNXBMFYSA-N 0 3 370.449 3.451 20 30 FGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291275604 498873484 /nfs/dbraw/zinc/87/34/84/498873484.db2.gz PWNOAWKRTQPEPF-INIZCTEOSA-N 0 3 364.449 3.208 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)[N-]C(C)(C)C)cc1 ZINC000298816354 498886010 /nfs/dbraw/zinc/88/60/10/498886010.db2.gz LSYCVUFKAODAOW-UHFFFAOYSA-O 0 3 371.482 3.338 20 30 FGEDHN Cn1cc(CN2CC[C@@](CO)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000291337244 498899920 /nfs/dbraw/zinc/89/99/20/498899920.db2.gz VKYQZANMAXRBJQ-HSZRJFAPSA-N 0 3 372.472 3.095 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000576238688 506110497 /nfs/dbraw/zinc/11/04/97/506110497.db2.gz FJBHYYUESVSSOF-GOSISDBHSA-N 0 3 364.449 3.225 20 30 FGEDHN CCc1ccc2nccc(N3CCN(c4c(C#N)c(C)nn4C)CC3)c2c1 ZINC000573071822 506111693 /nfs/dbraw/zinc/11/16/93/506111693.db2.gz PMAAUOWJGRKLAV-UHFFFAOYSA-N 0 3 360.465 3.037 20 30 FGEDHN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328787105 498938958 /nfs/dbraw/zinc/93/89/58/498938958.db2.gz LBKXXAQFECMDBV-MJSCVDMRSA-N 0 3 366.889 3.487 20 30 FGEDHN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C12CCCN1CCC2 ZINC000328797584 498941830 /nfs/dbraw/zinc/94/18/30/498941830.db2.gz VZXMKOWPSCUQKE-HNNXBMFYSA-N 0 3 365.836 3.169 20 30 FGEDHN CN1CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)[C@@H]1c1ccccc1 ZINC000328900180 498979604 /nfs/dbraw/zinc/97/96/04/498979604.db2.gz ZNVWYZJNCVEGBI-BZSNNMDCSA-N 0 3 373.522 3.090 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000328978453 499004994 /nfs/dbraw/zinc/00/49/94/499004994.db2.gz QSVODRSUPCIFPB-OTWHNJEPSA-N 0 3 372.513 3.300 20 30 FGEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000295449096 499021533 /nfs/dbraw/zinc/02/15/33/499021533.db2.gz QBOSCPJBVSNQRE-ROUUACIJSA-N 0 3 373.497 3.019 20 30 FGEDHN CN(C)CCOc1cc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)ccn1 ZINC000576313087 506128026 /nfs/dbraw/zinc/12/80/26/506128026.db2.gz RWIILYULRXZZBX-UHFFFAOYSA-N 0 3 369.812 3.264 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cnn(C)c3C3CC3)c2)CC1 ZINC000329151407 499056404 /nfs/dbraw/zinc/05/64/04/499056404.db2.gz ADAHCHQREAXLQM-UHFFFAOYSA-N 0 3 367.497 3.464 20 30 FGEDHN CN1CCN(C[C@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)C2)CC1 ZINC000363945986 499062782 /nfs/dbraw/zinc/06/27/82/499062782.db2.gz CTCACIGEMDWBAY-OAHLLOKOSA-N 0 3 366.431 3.041 20 30 FGEDHN N#CCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000366791383 499076073 /nfs/dbraw/zinc/07/60/73/499076073.db2.gz QUMQPSISOGMXNK-MOPGFXCFSA-N 0 3 352.482 3.129 20 30 FGEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329299176 499093523 /nfs/dbraw/zinc/09/35/23/499093523.db2.gz LUGFWBDPSAZDMX-BEFAXECRSA-N 0 3 367.497 3.344 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000284426300 499105225 /nfs/dbraw/zinc/10/52/25/499105225.db2.gz ADQHDZHDKJQRSA-LJQANCHMSA-N 0 3 352.438 3.186 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)no1 ZINC000329394833 499114581 /nfs/dbraw/zinc/11/45/81/499114581.db2.gz TVGXRBJHEXHPEH-OLMNPRSZSA-N 0 3 369.469 3.092 20 30 FGEDHN Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)no1 ZINC000329413585 499117892 /nfs/dbraw/zinc/11/78/92/499117892.db2.gz YOQLANKVWSGPON-SJORKVTESA-N 0 3 357.458 3.040 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1C(F)F ZINC000329464900 499125349 /nfs/dbraw/zinc/12/53/49/499125349.db2.gz VFDQROHNWOEFRA-TZMCWYRMSA-N 0 3 355.433 3.048 20 30 FGEDHN C[C@]1(F)CNCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000576332012 506132391 /nfs/dbraw/zinc/13/23/91/506132391.db2.gz IVTHVSPOPFYAKV-INIZCTEOSA-N 0 3 363.234 3.007 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(NC(=O)C3CCC3)CC2)c1 ZINC000367423248 499197428 /nfs/dbraw/zinc/19/74/28/499197428.db2.gz QMGUQROEUJGHAQ-UHFFFAOYSA-N 0 3 355.482 3.250 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1F ZINC000367629247 499219523 /nfs/dbraw/zinc/21/95/23/499219523.db2.gz BTSPPNGDWXZYQR-VBKZILBWSA-N 0 3 371.460 3.025 20 30 FGEDHN COc1cc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1C#N ZINC000367688980 499225168 /nfs/dbraw/zinc/22/51/68/499225168.db2.gz PXBBOCIRJOFTKN-NRFANRHFSA-N 0 3 354.425 3.133 20 30 FGEDHN CCc1nccc([C@@H]2CCCN(CCC(=O)Nc3sccc3C#N)C2)n1 ZINC000370743999 499250609 /nfs/dbraw/zinc/25/06/09/499250609.db2.gz ZSPFKPBEZGJFEY-OAHLLOKOSA-N 0 3 369.494 3.180 20 30 FGEDHN COCCN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000368373636 499289972 /nfs/dbraw/zinc/28/99/72/499289972.db2.gz FPIYBEWDQDLDOI-UXHICEINSA-N 0 3 351.450 3.013 20 30 FGEDHN CC(C)c1nnc([C@H]2CC23CCN(C[C@@H](O)c2ccc(C#N)cc2)CC3)o1 ZINC000371159962 499294606 /nfs/dbraw/zinc/29/46/06/499294606.db2.gz IFJULMGFRVSXEX-QZTJIDSGSA-N 0 3 366.465 3.368 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cccc(CC#N)c2)C1 ZINC000371775112 499364168 /nfs/dbraw/zinc/36/41/68/499364168.db2.gz WEJVKXTYUCEIPV-UHFFFAOYSA-N 0 3 363.461 3.134 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000369133479 499369018 /nfs/dbraw/zinc/36/90/18/499369018.db2.gz DACDPGMKSVOKSZ-PXNSSMCTSA-N 0 3 363.392 3.060 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000369133481 499369051 /nfs/dbraw/zinc/36/90/51/499369051.db2.gz DACDPGMKSVOKSZ-YLJYHZDGSA-N 0 3 363.392 3.060 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000369134698 499369177 /nfs/dbraw/zinc/36/91/77/499369177.db2.gz PAAKCYQZJOKBBQ-PXNSSMCTSA-N 0 3 363.392 3.060 20 30 FGEDHN CC1(C#N)CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000369408170 499400398 /nfs/dbraw/zinc/40/03/98/499400398.db2.gz KKFWROXCICUOCO-UHFFFAOYSA-N 0 3 364.559 3.073 20 30 FGEDHN N#C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000372225155 499410558 /nfs/dbraw/zinc/41/05/58/499410558.db2.gz DEBWGQTVLHUDCY-QMHKHESXSA-N 0 3 369.424 3.391 20 30 FGEDHN N#C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000372225155 499410560 /nfs/dbraw/zinc/41/05/60/499410560.db2.gz DEBWGQTVLHUDCY-QMHKHESXSA-N 0 3 369.424 3.391 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000369531589 499413729 /nfs/dbraw/zinc/41/37/29/499413729.db2.gz NRXNCXQHMAVEDH-IEBWSBKVSA-N 0 3 368.506 3.454 20 30 FGEDHN CN1CC[C@H](CNC(=O)Cc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC000369565595 499418943 /nfs/dbraw/zinc/41/89/43/499418943.db2.gz ZIOFRFGNKNGQPB-OXQOHEQNSA-N 0 3 369.490 3.002 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369658701 499432990 /nfs/dbraw/zinc/43/29/90/499432990.db2.gz WXZIEVATEJGEJC-ICSRJNTNSA-N 0 3 363.465 3.418 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000378309727 499500196 /nfs/dbraw/zinc/50/01/96/499500196.db2.gz IPTGQGNYBMUXPG-HXUWFJFHSA-N 0 3 364.449 3.225 20 30 FGEDHN C[C@H]1C[C@H](N2CCCC2)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000375788641 499555863 /nfs/dbraw/zinc/55/58/63/499555863.db2.gz JFHIGFJWRVUVRR-ROUUACIJSA-N 0 3 364.493 3.296 20 30 FGEDHN N#Cc1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1F ZINC000404133113 499569819 /nfs/dbraw/zinc/56/98/19/499569819.db2.gz DUOZYJVGZQEFHV-YADHBBJMSA-N 0 3 365.452 3.173 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000377091677 499661263 /nfs/dbraw/zinc/66/12/63/499661263.db2.gz VSECGEHPOSYPQY-LPHOPBHVSA-N 0 3 369.428 3.304 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000377547373 499703085 /nfs/dbraw/zinc/70/30/85/499703085.db2.gz ITYULINKPVWMJD-NHCUHLMSSA-N 0 3 356.510 3.481 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000411468333 499744273 /nfs/dbraw/zinc/74/42/73/499744273.db2.gz HDERARKESJPRNQ-UHFFFAOYSA-N 0 3 350.378 3.074 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3noc4c3CCCC4)CC2)cc1 ZINC000377884130 499745109 /nfs/dbraw/zinc/74/51/09/499745109.db2.gz MMNWRLDBZRSCKV-UHFFFAOYSA-N 0 3 350.466 3.179 20 30 FGEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000411894195 499801378 /nfs/dbraw/zinc/80/13/78/499801378.db2.gz PTVOQLLFONVHKW-DQLDELGASA-N 0 3 363.461 3.224 20 30 FGEDHN NC(=O)[C@@]1(c2ccccc2)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000411965278 499807333 /nfs/dbraw/zinc/80/73/33/499807333.db2.gz KBXDPEUFWAXXQI-FQEVSTJZSA-N 0 3 372.390 3.186 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000412564181 499863935 /nfs/dbraw/zinc/86/39/35/499863935.db2.gz AKUGAKMHVFOQSR-UHFFFAOYSA-N 0 3 373.840 3.413 20 30 FGEDHN C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)N1[C@H](C)CC[C@@H]1C ZINC000413121987 499916652 /nfs/dbraw/zinc/91/66/52/499916652.db2.gz XQEKAKODSQKUIA-IATRGZMQSA-N 0 3 364.287 3.391 20 30 FGEDHN C=CCc1cc(CNC(=O)Nc2ccccc2CNC)cc(OC)c1OC ZINC000415904408 499926563 /nfs/dbraw/zinc/92/65/63/499926563.db2.gz RIUXPFMVECKZRY-UHFFFAOYSA-N 0 3 369.465 3.473 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428984849 499974309 /nfs/dbraw/zinc/97/43/09/499974309.db2.gz YPNSTFYAVQBETP-UYAOXDASSA-N 0 3 359.514 3.322 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000425130035 500027180 /nfs/dbraw/zinc/02/71/80/500027180.db2.gz MVVVKDLNIBXKDK-QGZVFWFLSA-N 0 3 355.482 3.113 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000429309857 500049423 /nfs/dbraw/zinc/04/94/23/500049423.db2.gz SBZANKGKVQEPKV-ZBFHGGJFSA-N 0 3 356.491 3.114 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425242783 500053980 /nfs/dbraw/zinc/05/39/80/500053980.db2.gz CYPQUBAUXKPIOF-UHFFFAOYSA-N 0 3 351.410 3.214 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429371006 500062371 /nfs/dbraw/zinc/06/23/71/500062371.db2.gz HAFYMSHLZUMYKQ-XHDPSFHLSA-N 0 3 351.288 3.353 20 30 FGEDHN C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)N1CCCC[C@H]1C ZINC000416678226 500083452 /nfs/dbraw/zinc/08/34/52/500083452.db2.gz GGPCTPSGFZMGJL-QINHECLXSA-N 0 3 354.498 3.498 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)c(F)c1 ZINC000413910402 500093493 /nfs/dbraw/zinc/09/34/93/500093493.db2.gz FZCCZMZNNDGGJG-KRWDZBQOSA-N 0 3 369.440 3.477 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000413943504 500101786 /nfs/dbraw/zinc/10/17/86/500101786.db2.gz YJJMEYYHPVDFIQ-HXUWFJFHSA-N 0 3 357.454 3.048 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CC[C@H](C)C1 ZINC000429589864 500109292 /nfs/dbraw/zinc/10/92/92/500109292.db2.gz JZEHPMLSCBDHSF-YOEHRIQHSA-N 0 3 360.502 3.072 20 30 FGEDHN Cc1c(NC(=O)C2CCN(C3CC3)CC2)ccc(Br)c1C#N ZINC000425630126 500164474 /nfs/dbraw/zinc/16/44/74/500164474.db2.gz NUMCGTKCBKYWNZ-UHFFFAOYSA-N 0 3 362.271 3.442 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)s1 ZINC000421926025 500177877 /nfs/dbraw/zinc/17/78/77/500177877.db2.gz WOQKCOAQUBJUFH-OAHLLOKOSA-N 0 3 357.454 3.287 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)N(C)C)cc1 ZINC000425789648 500198321 /nfs/dbraw/zinc/19/83/21/500198321.db2.gz YRQRFVFXQYAXDG-KVSKMBFKSA-N 0 3 358.486 3.068 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000425853767 500205490 /nfs/dbraw/zinc/20/54/90/500205490.db2.gz JHBKOOODBXCDHD-WJMWBRGCSA-N 0 3 371.525 3.272 20 30 FGEDHN CCN(CC(=O)OC(C)(C)C)C1CC(N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000426046434 500229765 /nfs/dbraw/zinc/22/97/65/500229765.db2.gz PHNLSFPVWATICV-MNNVXMFVSA-N 0 3 357.498 3.403 20 30 FGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000430740332 500278260 /nfs/dbraw/zinc/27/82/60/500278260.db2.gz JZISMJRRUURXHM-MRXNPFEDSA-N 0 3 361.511 3.206 20 30 FGEDHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423033342 500333171 /nfs/dbraw/zinc/33/31/71/500333171.db2.gz OIUCQWRUUWEKHI-ONGXBYRLSA-N 0 3 363.461 3.169 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)C1=O ZINC000419923802 500407191 /nfs/dbraw/zinc/40/71/91/500407191.db2.gz BLGYPMMADRGMMC-NUJGCVRESA-N 0 3 355.482 3.030 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000427913986 500444886 /nfs/dbraw/zinc/44/48/86/500444886.db2.gz PPFKZHZOAVMDFY-KRWDZBQOSA-N 0 3 356.857 3.420 20 30 FGEDHN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424089913 500451005 /nfs/dbraw/zinc/45/10/05/500451005.db2.gz IPSGKEAMLSQUCJ-RVKKMQEKSA-N 0 3 370.497 3.073 20 30 FGEDHN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424091079 500451352 /nfs/dbraw/zinc/45/13/52/500451352.db2.gz NETFPMIEZCUSNW-KRWDZBQOSA-N 0 3 350.422 3.207 20 30 FGEDHN Cc1cccc(COc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)c1 ZINC000424097793 500452301 /nfs/dbraw/zinc/45/23/01/500452301.db2.gz KCAGCFZPTDHGMP-FQEVSTJZSA-N 0 3 351.450 3.211 20 30 FGEDHN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424102873 500453224 /nfs/dbraw/zinc/45/32/24/500453224.db2.gz CFAMZACCORORJS-WOJBJXKFSA-N 0 3 369.440 3.255 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)ccc1OCc1ccccn1 ZINC000424167041 500462779 /nfs/dbraw/zinc/46/27/79/500462779.db2.gz DHZBVEWPUXCIOX-JXFKEZNVSA-N 0 3 354.450 3.350 20 30 FGEDHN CC(C)C[C@@H](CNCc1cnc2ccc(C#N)cn12)C(=O)OC(C)(C)C ZINC000424188461 500465475 /nfs/dbraw/zinc/46/54/75/500465475.db2.gz LJKOPTKHKSPMGW-INIZCTEOSA-N 0 3 356.470 3.300 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000424189211 500465592 /nfs/dbraw/zinc/46/55/92/500465592.db2.gz MAAJNPNZXJQTON-FUHWJXTLSA-N 0 3 351.454 3.151 20 30 FGEDHN C=CCC1(c2nc(-c3ccccc3OCCN(C)C)no2)CCOCC1 ZINC000424345405 500489446 /nfs/dbraw/zinc/48/94/46/500489446.db2.gz FTXIALPBTOZMGM-UHFFFAOYSA-N 0 3 357.454 3.301 20 30 FGEDHN C[C@H]1[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000582380062 506199213 /nfs/dbraw/zinc/19/92/13/506199213.db2.gz MUQZLZWMMBZXPO-LAUBAEHRSA-N 0 3 359.473 3.369 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000432390675 500509322 /nfs/dbraw/zinc/50/93/22/500509322.db2.gz ZYVZWFBLRORTIG-UZLBHIALSA-N 0 3 362.477 3.190 20 30 FGEDHN C=CCOc1ccccc1CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000428435066 500510277 /nfs/dbraw/zinc/51/02/77/500510277.db2.gz YKIUUNCXKPYSCY-HSZRJFAPSA-N 0 3 366.505 3.320 20 30 FGEDHN N#CC[C@@H](CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccccc1 ZINC000428548218 500525270 /nfs/dbraw/zinc/52/52/70/500525270.db2.gz OLIDFTVCQUMSSL-FPOVZHCZSA-N 0 3 363.461 3.279 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1C ZINC000428641901 500536532 /nfs/dbraw/zinc/53/65/32/500536532.db2.gz FRSRIZUCPMAKDG-FUHWJXTLSA-N 0 3 365.481 3.018 20 30 FGEDHN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccccc2CCN(C)C)CCCC1(C)C ZINC000447420745 500603778 /nfs/dbraw/zinc/60/37/78/500603778.db2.gz CNUJFBGHPHCGBH-IBGZPJMESA-N 0 3 371.525 3.323 20 30 FGEDHN COc1ccc(CCNC(=O)C(C#N)CCc2ccccc2)cc1OC ZINC000433106059 500627098 /nfs/dbraw/zinc/62/70/98/500627098.db2.gz SNJDLQATSKBHIA-SFHVURJKSA-N 0 3 352.434 3.135 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C ZINC000437518120 500653864 /nfs/dbraw/zinc/65/38/64/500653864.db2.gz LGDFRAUUPURWIN-BBRMVZONSA-N 0 3 369.494 3.210 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433318405 500670578 /nfs/dbraw/zinc/67/05/78/500670578.db2.gz ONNJMYVVTMHEJM-HXUWFJFHSA-N 0 3 367.468 3.488 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000433342973 500676959 /nfs/dbraw/zinc/67/69/59/500676959.db2.gz NAOSSFUJEXTEMX-AZUAARDMSA-N 0 3 361.445 3.071 20 30 FGEDHN N#CC(CCN[C@@H](CO)[C@@H]1CCCO1)(c1ccccc1)c1ccccc1 ZINC000447916351 500689489 /nfs/dbraw/zinc/68/94/89/500689489.db2.gz VBMACJHKIBVCTK-SFTDATJTSA-N 0 3 350.462 3.016 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433559796 500712555 /nfs/dbraw/zinc/71/25/55/500712555.db2.gz IRFCPJHNCHTTIV-IBGZPJMESA-N 0 3 372.538 3.108 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000437981233 500724342 /nfs/dbraw/zinc/72/43/42/500724342.db2.gz BSLAGZVIXGWALI-RTWAWAEBSA-N 0 3 373.541 3.174 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000438243932 500758570 /nfs/dbraw/zinc/75/85/70/500758570.db2.gz CEEYOEXYUSYDPD-NEWSRXKRSA-N 0 3 359.514 3.396 20 30 FGEDHN COCCO[C@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000438556051 500801256 /nfs/dbraw/zinc/80/12/56/500801256.db2.gz UWCYIURKXBAJLG-QFIPXVFZSA-N 0 3 366.461 3.375 20 30 FGEDHN O=C(CN1CCC[C@@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444190188 500815417 /nfs/dbraw/zinc/81/54/17/500815417.db2.gz XZPNMVSFOAEAJT-FUHWJXTLSA-N 0 3 364.411 3.438 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ncc(Cl)cc1Cl ZINC000602565324 506218751 /nfs/dbraw/zinc/21/87/51/506218751.db2.gz BBVGTOFUPVRMNL-LBPRGKRZSA-N 0 3 358.269 3.456 20 30 FGEDHN N#Cc1cccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1Br ZINC000448937912 500874549 /nfs/dbraw/zinc/87/45/49/500874549.db2.gz RMASSVGHEZAIEB-AWEZNQCLSA-N 0 3 362.271 3.021 20 30 FGEDHN CN(C)CCN(C(=O)c1cccc(C#N)c1Br)C1CCCC1 ZINC000448974410 500884249 /nfs/dbraw/zinc/88/42/49/500884249.db2.gz JYPFWMCPUMXEJL-UHFFFAOYSA-N 0 3 364.287 3.267 20 30 FGEDHN CC(C)C[C@H](CNC(=O)c1cccc(C#N)c1Br)N(C)C ZINC000448973161 500884301 /nfs/dbraw/zinc/88/43/01/500884301.db2.gz YPLQPYVFWOHYBU-CYBMUJFWSA-N 0 3 352.276 3.027 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000439898218 500952628 /nfs/dbraw/zinc/95/26/28/500952628.db2.gz IDOGRTRHXOZRMM-UHFFFAOYSA-N 0 3 362.430 3.156 20 30 FGEDHN CCN1CC[C@H](NCc2cccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000602601067 506228528 /nfs/dbraw/zinc/22/85/28/506228528.db2.gz QOYBLKZEPAMICT-HKUYNNGSSA-N 0 3 360.383 3.296 20 30 FGEDHN C=CCC[C@H](CO)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000449698558 501064846 /nfs/dbraw/zinc/06/48/46/501064846.db2.gz OBIUPBKYUAIVFL-QGZVFWFLSA-N 0 3 353.388 3.367 20 30 FGEDHN N#CC1CCC(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000440989256 501071614 /nfs/dbraw/zinc/07/16/14/501071614.db2.gz NHEXOPRCPZFVGP-QLOJAFMTSA-N 0 3 354.498 3.280 20 30 FGEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000436262434 501098228 /nfs/dbraw/zinc/09/82/28/501098228.db2.gz FGRLHBSEDCZKJT-WOJBJXKFSA-N 0 3 357.498 3.138 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441275229 501112258 /nfs/dbraw/zinc/11/22/58/501112258.db2.gz IGYUBJXSHPXRKH-RCCFBDPRSA-N 0 3 362.539 3.400 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000446586722 501138024 /nfs/dbraw/zinc/13/80/24/501138024.db2.gz PEJFGBRDVIJNSL-UHFFFAOYSA-N 0 3 351.454 3.133 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)C1CC1 ZINC000450765338 501204580 /nfs/dbraw/zinc/20/45/80/501204580.db2.gz RRWAWOZVHXDKLQ-DENIHFKCSA-N 0 3 351.494 3.487 20 30 FGEDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C#N)c(F)c1 ZINC000436790009 501212230 /nfs/dbraw/zinc/21/22/30/501212230.db2.gz GKECKAWGCQWFOW-CQSZACIVSA-N 0 3 367.424 3.358 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000450287245 501225993 /nfs/dbraw/zinc/22/59/93/501225993.db2.gz PFPFRLFDTDTXLX-LEWJYISDSA-N 0 3 350.462 3.008 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCC(C)(C)CC#N)c1cccc(OC)c1 ZINC000457567171 501259161 /nfs/dbraw/zinc/25/91/61/501259161.db2.gz VFLFPPKBRLGLPA-SFHVURJKSA-N 0 3 360.502 3.317 20 30 FGEDHN CN(CCC(=O)Nc1sccc1C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451323725 501264977 /nfs/dbraw/zinc/26/49/77/501264977.db2.gz JNBWKQZJTWPEOH-HNNXBMFYSA-N 0 3 363.870 3.267 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000451476679 501301370 /nfs/dbraw/zinc/30/13/70/501301370.db2.gz FPGAXKCZNYITRL-JCURWCKSSA-N 0 3 361.873 3.476 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000451476682 501301592 /nfs/dbraw/zinc/30/15/92/501301592.db2.gz FPGAXKCZNYITRL-OAUYIBNBSA-N 0 3 361.873 3.476 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC000451504011 501308125 /nfs/dbraw/zinc/30/81/25/501308125.db2.gz QOKXHOBXHNCWGA-ZWKOTPCHSA-N 0 3 372.513 3.433 20 30 FGEDHN OC[C@@H]([C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CC1)C1CC1 ZINC000451604195 501335480 /nfs/dbraw/zinc/33/54/80/501335480.db2.gz KFKNUFYWXLDWBF-MSOLQXFVSA-N 0 3 353.384 3.323 20 30 FGEDHN N#CC(C(=O)c1ccnn1CC(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000453569858 501350091 /nfs/dbraw/zinc/35/00/91/501350091.db2.gz JYIKKOQVQZVYCD-SECBINFHSA-N 0 3 362.233 3.349 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1OCCN(C)C ZINC000458197318 501390196 /nfs/dbraw/zinc/39/01/96/501390196.db2.gz NVNNUPNORULDTH-MRXNPFEDSA-N 0 3 367.449 3.213 20 30 FGEDHN C=CCOc1ccc(CC(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000458211959 501394595 /nfs/dbraw/zinc/39/45/95/501394595.db2.gz BAUXWDDRGFLFSC-UHFFFAOYSA-N 0 3 358.507 3.446 20 30 FGEDHN N#CC(C(=O)c1ccnn1CC(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000453796657 501401499 /nfs/dbraw/zinc/40/14/99/501401499.db2.gz XZRLQEOASYGLQB-SECBINFHSA-N 0 3 362.233 3.349 20 30 FGEDHN CN(C)C(=O)C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000456235338 501478710 /nfs/dbraw/zinc/47/87/10/501478710.db2.gz ROTYKUQBHALUIQ-WOJBJXKFSA-N 0 3 363.461 3.095 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000458767174 501527346 /nfs/dbraw/zinc/52/73/46/501527346.db2.gz UNJMTSSRACNWNF-XKGZKEIXSA-N 0 3 372.513 3.458 20 30 FGEDHN N#Cc1nc(NC[C@@H]2CCCN(Cc3cccs3)C2)sc1Cl ZINC000596101991 506260188 /nfs/dbraw/zinc/26/01/88/506260188.db2.gz NNPAAOOIJGUYPY-NSHDSACASA-N 0 3 352.916 3.476 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459033215 501579929 /nfs/dbraw/zinc/57/99/29/501579929.db2.gz ANSLQZXEZXVPJX-AQNXPRMDSA-N 0 3 357.498 3.026 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)nc2)CC1 ZINC000456790297 501599441 /nfs/dbraw/zinc/59/94/41/501599441.db2.gz KTARMMHMOOUBDG-UHFFFAOYSA-N 0 3 370.840 3.332 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)NCC(C)(C)CC#N)c(C)c2)CC1 ZINC000459257820 501620432 /nfs/dbraw/zinc/62/04/32/501620432.db2.gz KTAIKOJWNYPXTO-UHFFFAOYSA-N 0 3 357.502 3.198 20 30 FGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454753823 501622194 /nfs/dbraw/zinc/62/21/94/501622194.db2.gz FHVOBNNOGTUQIX-HNNXBMFYSA-N 0 3 354.429 3.017 20 30 FGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598987604 506264435 /nfs/dbraw/zinc/26/44/35/506264435.db2.gz KEFOSFRJSQTWAQ-CALCHBBNSA-N 0 3 354.498 3.083 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000457138377 501657139 /nfs/dbraw/zinc/65/71/39/501657139.db2.gz XRJQZGPOJPKREU-QGZVFWFLSA-N 0 3 367.449 3.285 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000454957168 501661750 /nfs/dbraw/zinc/66/17/50/501661750.db2.gz KBDNXTYNIMFPHI-GOSISDBHSA-N 0 3 356.514 3.480 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1C#N ZINC000459553184 501675480 /nfs/dbraw/zinc/67/54/80/501675480.db2.gz XABOZSPLCQASQG-DZGCQCFKSA-N 0 3 355.467 3.280 20 30 FGEDHN C[C@@H](CCCc1cccnc1)NCC(=O)N(CCC#N)c1ccccc1 ZINC000459633721 501690368 /nfs/dbraw/zinc/69/03/68/501690368.db2.gz DZHICPDDBSWWOZ-SFHVURJKSA-N 0 3 350.466 3.329 20 30 FGEDHN CC(C)(CC#N)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000459731229 501705870 /nfs/dbraw/zinc/70/58/70/501705870.db2.gz MYAMYTJNPKVELH-UHFFFAOYSA-N 0 3 373.194 3.229 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC000459753781 501708854 /nfs/dbraw/zinc/70/88/54/501708854.db2.gz NWFZIJVZZPAFAM-RBUKOAKNSA-N 0 3 355.482 3.097 20 30 FGEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000467203519 501736110 /nfs/dbraw/zinc/73/61/10/501736110.db2.gz APOKFBFZUOXSKD-WMLDXEAASA-N 0 3 352.400 3.294 20 30 FGEDHN C=CCSCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000460142699 501739433 /nfs/dbraw/zinc/73/94/33/501739433.db2.gz JFKPCGWTZRZJKT-OALUTQOASA-N 0 3 359.539 3.069 20 30 FGEDHN CC[C@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463504808 501744933 /nfs/dbraw/zinc/74/49/33/501744933.db2.gz AIDSIXZWJZLHTF-SFTDATJTSA-N 0 3 371.525 3.434 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000477754745 501777621 /nfs/dbraw/zinc/77/76/21/501777621.db2.gz LKVXJYFMCISIHF-CVEARBPZSA-N 0 3 363.468 3.006 20 30 FGEDHN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCCN(CC)CC1 ZINC000460390477 501812591 /nfs/dbraw/zinc/81/25/91/501812591.db2.gz WKYLMTHTIOSVDK-LJQANCHMSA-N 0 3 367.497 3.062 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000485515917 501843556 /nfs/dbraw/zinc/84/35/56/501843556.db2.gz ONAIEIMZFDXVPA-MJUUVYJYSA-N 0 3 356.510 3.479 20 30 FGEDHN C=CCN1CCC(NC(=O)CCCOc2ccc3c(c2)CCCC3)CC1 ZINC000481791181 501884843 /nfs/dbraw/zinc/88/48/43/501884843.db2.gz UADPKVMEFGLIDO-UHFFFAOYSA-N 0 3 356.510 3.491 20 30 FGEDHN CCOc1ccc2c(c1)CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000471038160 501898643 /nfs/dbraw/zinc/89/86/43/501898643.db2.gz OOMCJNFKHQKAJD-HXUWFJFHSA-N 0 3 359.429 3.224 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000471039685 501899884 /nfs/dbraw/zinc/89/98/84/501899884.db2.gz QPXMOAKEQHNTQO-YAUSHBINSA-N 0 3 359.429 3.310 20 30 FGEDHN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000485698744 501905642 /nfs/dbraw/zinc/90/56/42/501905642.db2.gz VZEVDLHMLXBQBX-INIZCTEOSA-N 0 3 369.490 3.291 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000481924267 501920407 /nfs/dbraw/zinc/92/04/07/501920407.db2.gz QYHYLOGUYWEZLO-NRFANRHFSA-N 0 3 363.461 3.441 20 30 FGEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc(F)c(Br)cc1F ZINC000599026812 506285122 /nfs/dbraw/zinc/28/51/22/506285122.db2.gz GRUWKUJYZMYZCP-JTQLQIEISA-N 0 3 358.230 3.366 20 30 FGEDHN C=CCOc1ccccc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000475082272 502049410 /nfs/dbraw/zinc/04/94/10/502049410.db2.gz FJDWOAAEPGVOPP-OALUTQOASA-N 0 3 370.472 3.086 20 30 FGEDHN Cc1nn(C)c(N2CCN(C[C@H](c3ccccc3)C(C)C)CC2)c1C#N ZINC000475222964 502103445 /nfs/dbraw/zinc/10/34/45/502103445.db2.gz HGHSFFQEOOZARJ-FQEVSTJZSA-N 0 3 351.498 3.162 20 30 FGEDHN Cc1nn(C)c(N2CCN([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)c1C#N ZINC000471821711 502145839 /nfs/dbraw/zinc/14/58/39/502145839.db2.gz MDDCPGIUBMYHSS-DENIHFKCSA-N 0 3 363.509 3.233 20 30 FGEDHN CCC[C@H](CN1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 ZINC000471825316 502147070 /nfs/dbraw/zinc/14/70/70/502147070.db2.gz JMIKJLFAFCUTCB-LJQANCHMSA-N 0 3 351.498 3.306 20 30 FGEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479317694 502223535 /nfs/dbraw/zinc/22/35/35/502223535.db2.gz RZIOHKYHZZRETF-QUCCMNQESA-N 0 3 351.425 3.419 20 30 FGEDHN Cc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)c(F)cc1[N+](=O)[O-] ZINC000461940596 502246348 /nfs/dbraw/zinc/24/63/48/502246348.db2.gz HFFSGRKPDQNNGJ-UHFFFAOYSA-N 0 3 356.401 3.482 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000465408326 502253091 /nfs/dbraw/zinc/25/30/91/502253091.db2.gz LGTKNANHKPANHB-GMBSWORKSA-N 0 3 350.528 3.444 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)CC1 ZINC000462046156 502285636 /nfs/dbraw/zinc/28/56/36/502285636.db2.gz HXCDZCSCEWKRGI-QGZVFWFLSA-N 0 3 356.514 3.088 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000469123827 502306475 /nfs/dbraw/zinc/30/64/75/502306475.db2.gz WXRBZMBQCSBMDY-OLZOCXBDSA-N 0 3 369.387 3.229 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2C(F)F)cc1 ZINC000483478469 502403865 /nfs/dbraw/zinc/40/38/65/502403865.db2.gz RNEAXLMHXKZAPD-FZMZJTMJSA-N 0 3 371.409 3.024 20 30 FGEDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000483692892 502465324 /nfs/dbraw/zinc/46/53/24/502465324.db2.gz NJCGKDKCZRSYLJ-DFQSSKMNSA-N 0 3 357.498 3.486 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000469652518 502492509 /nfs/dbraw/zinc/49/25/09/502492509.db2.gz QMDALPSBSNQDDF-ICSRJNTNSA-N 0 3 352.409 3.498 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000483812000 502499402 /nfs/dbraw/zinc/49/94/02/502499402.db2.gz BAOWOLKDNZRRDG-INIZCTEOSA-N 0 3 361.405 3.047 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000467036432 502766550 /nfs/dbraw/zinc/76/65/50/502766550.db2.gz SCSUTWPRAJEBQP-BLLLJJGKSA-N 0 3 368.399 3.483 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)C(C)C ZINC000513014831 502831224 /nfs/dbraw/zinc/83/12/24/502831224.db2.gz NJPOBBGHBGYMEQ-HXUWFJFHSA-N 0 3 370.472 3.440 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602888095 506337144 /nfs/dbraw/zinc/33/71/44/506337144.db2.gz PBEAUGKXFZRTKO-SFHVURJKSA-N 0 3 371.444 3.320 20 30 FGEDHN C=CCc1cc(CNCc2ccc(C[S@](C)=O)cc2)cc(OC)c1O ZINC000513106356 502853362 /nfs/dbraw/zinc/85/33/62/502853362.db2.gz KXHRBLHRVOOMLD-VWLOTQADSA-N 0 3 359.491 3.298 20 30 FGEDHN CC(C)c1nc(C2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000505203536 502869373 /nfs/dbraw/zinc/86/93/73/502869373.db2.gz KDZVLHVSSZIOCC-UHFFFAOYSA-N 0 3 367.453 3.273 20 30 FGEDHN CN1CCC(n2cc(NC(=O)Nc3ccc(C#N)cc3Cl)cn2)CC1 ZINC000602901151 506343032 /nfs/dbraw/zinc/34/30/32/506343032.db2.gz ZIYNTYASPIWPOI-UHFFFAOYSA-N 0 3 358.833 3.319 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509715805 502974270 /nfs/dbraw/zinc/97/42/70/502974270.db2.gz PEJDKHXNMXODBS-QAPCUYQASA-N 0 3 367.415 3.449 20 30 FGEDHN CN(CCCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)Cc1ccccc1 ZINC000506015963 503029342 /nfs/dbraw/zinc/02/93/42/503029342.db2.gz AUBLXHYGAFJNBH-UHFFFAOYSA-N 0 3 365.452 3.367 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000513828957 503032324 /nfs/dbraw/zinc/03/23/24/503032324.db2.gz SSHRBQOTCOYZBH-FQEVSTJZSA-N 0 3 362.477 3.388 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000506266803 503082212 /nfs/dbraw/zinc/08/22/12/503082212.db2.gz FDZJDHMNVIQGDL-UHFFFAOYSA-N 0 3 371.488 3.452 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000510296494 503086543 /nfs/dbraw/zinc/08/65/43/503086543.db2.gz DIRNQYHJMBXHQM-UHFFFAOYSA-N 0 3 367.287 3.146 20 30 FGEDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)N(C)C)cc1OC ZINC000514187331 503107925 /nfs/dbraw/zinc/10/79/25/503107925.db2.gz QMQAAUKVCKZFPU-QGZVFWFLSA-N 0 3 370.409 3.198 20 30 FGEDHN C[C@H](C(=O)N(C[C@H](C)C#N)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000514232222 503120383 /nfs/dbraw/zinc/12/03/83/503120383.db2.gz IXHMWECVAFTFDN-QZTJIDSGSA-N 0 3 353.510 3.480 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)COc1ccccc1C#N)N(C)C ZINC000510510923 503129306 /nfs/dbraw/zinc/12/93/06/503129306.db2.gz JRFFKEWQZIPHMQ-IIBYNOLFSA-N 0 3 351.450 3.053 20 30 FGEDHN Cc1ccccc1C1(NC[C@H](O)COc2ccc(CC#N)cc2)CCC1 ZINC000593041190 506355584 /nfs/dbraw/zinc/35/55/84/506355584.db2.gz XGCCIPHTLMSKGB-IBGZPJMESA-N 0 3 350.462 3.470 20 30 FGEDHN C[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000510819555 503198429 /nfs/dbraw/zinc/19/84/29/503198429.db2.gz DKTAGLCAVYGRLZ-OAHLLOKOSA-N 0 3 352.400 3.438 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](c2cc(C)ccn2)C1 ZINC000582674889 506360019 /nfs/dbraw/zinc/36/00/19/506360019.db2.gz RJPUHMIIEMJJKH-VQTJNVASSA-N 0 3 352.478 3.348 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000511257971 503288795 /nfs/dbraw/zinc/28/87/95/503288795.db2.gz DAKZCMFMGQENJZ-CYBMUJFWSA-N 0 3 369.918 3.000 20 30 FGEDHN CC(C)O[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055812 506364707 /nfs/dbraw/zinc/36/47/07/506364707.db2.gz QWUFRTOACCNFRB-AWEZNQCLSA-N 0 3 361.511 3.326 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@@H]2CCc3ccccc32)cc1 ZINC000515638272 503377201 /nfs/dbraw/zinc/37/72/01/503377201.db2.gz ZXHAYVGSBJWXBU-SFHVURJKSA-N 0 3 354.475 3.042 20 30 FGEDHN C=CCOc1ccccc1CNC1CCN(C(=O)c2ccncc2)CC1 ZINC000511752728 503381009 /nfs/dbraw/zinc/38/10/09/503381009.db2.gz JHLKTRLQTOECAV-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000508088918 503428459 /nfs/dbraw/zinc/42/84/59/503428459.db2.gz QDZOHVLFNIGJMM-KRWDZBQOSA-N 0 3 352.434 3.155 20 30 FGEDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000503524376 503429124 /nfs/dbraw/zinc/42/91/24/503429124.db2.gz XRLZLUSFFGEIQW-LIDHIPMTSA-N 0 3 357.445 3.056 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(C#N)cs3)c2)CC1 ZINC000503769454 503470882 /nfs/dbraw/zinc/47/08/82/503470882.db2.gz JEVQNHBDIBPYAN-UHFFFAOYSA-N 0 3 354.479 3.402 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(-n4cccn4)cc3)C2=O)cc1 ZINC000503923475 503490438 /nfs/dbraw/zinc/49/04/38/503490438.db2.gz AACAELCMBPAJPG-NRFANRHFSA-N 0 3 371.444 3.029 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000508416328 503490837 /nfs/dbraw/zinc/49/08/37/503490837.db2.gz ZVEYFDHYEJWZSE-LJQANCHMSA-N 0 3 357.498 3.411 20 30 FGEDHN CCC[C@@]1(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCOC1 ZINC000512245142 503496571 /nfs/dbraw/zinc/49/65/71/503496571.db2.gz PYTLQIBILAVMHW-LJQANCHMSA-N 0 3 363.889 3.444 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCC#Cc2cccc(F)c2)CCN1Cc1ccccc1 ZINC000504445127 503576182 /nfs/dbraw/zinc/57/61/82/503576182.db2.gz XLAISZXNYOCCCQ-DYESRHJHSA-N 0 3 365.452 3.139 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(CC)nc3onc(C(C)C)c32)CC1 ZINC000512679904 503610935 /nfs/dbraw/zinc/61/09/35/503610935.db2.gz CXGHTFCVSHREGO-UHFFFAOYSA-N 0 3 356.470 3.289 20 30 FGEDHN N#CCn1c(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc2ccccc21 ZINC000529718089 503675981 /nfs/dbraw/zinc/67/59/81/503675981.db2.gz JCXHDPNEJFHBDW-SFHVURJKSA-N 0 3 350.466 3.302 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000540458067 503777509 /nfs/dbraw/zinc/77/75/09/503777509.db2.gz MHWIIWJBWDPGSO-HKUYNNGSSA-N 0 3 365.477 3.287 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C1Cc2ccccc2C1)C(C)C ZINC000517678274 503805531 /nfs/dbraw/zinc/80/55/31/503805531.db2.gz MVTUZNLOGYGVPI-OAQYLSRUSA-N 0 3 355.526 3.494 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@H]3COCC[C@H]32)sc2c1CCCC2 ZINC000533346147 503813232 /nfs/dbraw/zinc/81/32/32/503813232.db2.gz MTLDLTPENQOMFK-WMLDXEAASA-N 0 3 373.522 3.328 20 30 FGEDHN CC(C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000533356756 503816159 /nfs/dbraw/zinc/81/61/59/503816159.db2.gz QXGDLKRYHZIAKI-UHFFFAOYSA-N 0 3 352.400 3.294 20 30 FGEDHN C[C@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707380 503862680 /nfs/dbraw/zinc/86/26/80/503862680.db2.gz YCMWHLNYWCGFNS-JTSKRJEESA-N 0 3 366.484 3.337 20 30 FGEDHN COc1cc(CN2C[C@@H](O)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000530360859 503937077 /nfs/dbraw/zinc/93/70/77/503937077.db2.gz XBXRWMJSNFWXTN-BEFAXECRSA-N 0 3 352.434 3.101 20 30 FGEDHN CNC(=O)c1cccc(CCN[C@@H](CCC#N)c2ccc(OC)cc2)c1 ZINC000547010027 503954324 /nfs/dbraw/zinc/95/43/24/503954324.db2.gz FLROUGSOXXASHG-FQEVSTJZSA-N 0 3 351.450 3.232 20 30 FGEDHN C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1=CCN(C)CC1 ZINC000540968086 503958938 /nfs/dbraw/zinc/95/89/38/503958938.db2.gz GCXZOBDNNFOAQJ-OAHLLOKOSA-N 0 3 362.433 3.126 20 30 FGEDHN C=CCCOCCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000533833057 503963793 /nfs/dbraw/zinc/96/37/93/503963793.db2.gz JYLNMKBAPGLOQP-QFIPXVFZSA-N 0 3 371.525 3.277 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NCCNc1ccc(-c3ccccc3)nn1)CC2 ZINC000518446374 503987451 /nfs/dbraw/zinc/98/74/51/503987451.db2.gz DGCKIRNXGDWXAX-NRFANRHFSA-N 0 3 355.445 3.126 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000518513811 504004788 /nfs/dbraw/zinc/00/47/88/504004788.db2.gz SEYNXVLCJSQFFB-UHFFFAOYSA-N 0 3 371.437 3.381 20 30 FGEDHN C=C[C@H](CC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000533987625 504010022 /nfs/dbraw/zinc/01/00/22/504010022.db2.gz OUULJTOWAYYNEB-TZIWHRDSSA-N 0 3 356.510 3.450 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000541111592 504012363 /nfs/dbraw/zinc/01/23/63/504012363.db2.gz IHWXNXJGUVBPFS-NNCILOIOSA-N 0 3 373.518 3.243 20 30 FGEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1C#N ZINC000544143287 504025503 /nfs/dbraw/zinc/02/55/03/504025503.db2.gz VBAFBCQRZZYRTH-VQIMIIECSA-N 0 3 370.884 3.210 20 30 FGEDHN Cc1c(Cl)cnc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1C#N ZINC000544143285 504025744 /nfs/dbraw/zinc/02/57/44/504025744.db2.gz VBAFBCQRZZYRTH-LPHOPBHVSA-N 0 3 370.884 3.210 20 30 FGEDHN CC(C)n1ccc(C[C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000541255492 504062124 /nfs/dbraw/zinc/06/21/24/504062124.db2.gz NFNYOMCCQHNYTL-JXFKEZNVSA-N 0 3 365.481 3.052 20 30 FGEDHN C[C@H]1CCN(c2cc(C(=O)C(C#N)c3nc4ccccc4n3C)ccn2)C1 ZINC000547484451 504122496 /nfs/dbraw/zinc/12/24/96/504122496.db2.gz UTUASGXFKFIUGK-GOEBONIOSA-N 0 3 359.433 3.305 20 30 FGEDHN N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)c(OC(F)F)c1 ZINC000544460600 504142641 /nfs/dbraw/zinc/14/26/41/504142641.db2.gz RBSGPMJKNPSMNW-HNNXBMFYSA-N 0 3 351.397 3.074 20 30 FGEDHN N#Cc1ccc(CN[C@H](CC(N)=O)C2CCCCC2)c(OC(F)F)c1 ZINC000544460601 504142757 /nfs/dbraw/zinc/14/27/57/504142757.db2.gz RBSGPMJKNPSMNW-OAHLLOKOSA-N 0 3 351.397 3.074 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528278946 504144363 /nfs/dbraw/zinc/14/43/63/504144363.db2.gz LRCFAPACUZKJIZ-GOSISDBHSA-N 0 3 357.498 3.042 20 30 FGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000541492416 504148576 /nfs/dbraw/zinc/14/85/76/504148576.db2.gz NOGYAVJBASWWAT-CALCHBBNSA-N 0 3 354.498 3.495 20 30 FGEDHN C=CCOc1cccnc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000538269745 504182257 /nfs/dbraw/zinc/18/22/57/504182257.db2.gz TZZATFDWIKKNQF-UHFFFAOYSA-N 0 3 371.506 3.350 20 30 FGEDHN COc1ccccc1[C@@H]1CCCN1C[C@H](O)COc1ccccc1C#N ZINC000528370158 504192350 /nfs/dbraw/zinc/19/23/50/504192350.db2.gz AIZJNNBQGQFSCK-HKUYNNGSSA-N 0 3 352.434 3.144 20 30 FGEDHN COc1cc(C)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000547716819 504197847 /nfs/dbraw/zinc/19/78/47/504197847.db2.gz CFTFNGWBKVCAED-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN Cc1cccc(NC2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)c1 ZINC000528418018 504216006 /nfs/dbraw/zinc/21/60/06/504216006.db2.gz WJDYJYZNWHIHDX-OAQYLSRUSA-N 0 3 365.477 3.183 20 30 FGEDHN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1ccccc1C#N)CCC2 ZINC000528421041 504217274 /nfs/dbraw/zinc/21/72/74/504217274.db2.gz ZESJUPSTJSERMA-DOTOQJQBSA-N 0 3 357.479 3.072 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C)N(C[C@@H](O)COc1ccccc1C#N)[C@@H]2C ZINC000528442478 504226267 /nfs/dbraw/zinc/22/62/67/504226267.db2.gz MDHSNPNWPYAESP-FRQCXROJSA-N 0 3 366.461 3.314 20 30 FGEDHN Cc1nc(NC(=O)C2CN(C3CCCCC3)C2)sc1SCC#N ZINC000519583823 504263430 /nfs/dbraw/zinc/26/34/30/504263430.db2.gz HEVZWPUZHVFCOK-UHFFFAOYSA-N 0 3 350.513 3.270 20 30 FGEDHN COCCC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000528576274 504280226 /nfs/dbraw/zinc/28/02/26/504280226.db2.gz LWMHOXCVRLVXOT-OAHLLOKOSA-N 0 3 357.479 3.221 20 30 FGEDHN Cc1cc(NC(=O)CSc2ccc(C#N)cc2)n(C2CCN(C)CC2)n1 ZINC000531425374 504301505 /nfs/dbraw/zinc/30/15/05/504301505.db2.gz OZNRVBWPKAORRA-UHFFFAOYSA-N 0 3 369.494 3.061 20 30 FGEDHN C=CCN(Cc1ccc2c[nH]nc2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732433 504348929 /nfs/dbraw/zinc/34/89/29/504348929.db2.gz MIYZUNDIQVVJNX-HNNXBMFYSA-N 0 3 359.437 3.288 20 30 FGEDHN COc1cc(OC)cc(N2CCCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000531580197 504353721 /nfs/dbraw/zinc/35/37/21/504353721.db2.gz PAUHYWRXLUXVKC-UHFFFAOYSA-N 0 3 351.450 3.288 20 30 FGEDHN CCN(C[C@H]1CCCN1CC)C(=O)CCCCOc1cccc(C#N)c1 ZINC000548453791 504451879 /nfs/dbraw/zinc/45/18/79/504451879.db2.gz VINQAHICPLXXFL-LJQANCHMSA-N 0 3 357.498 3.440 20 30 FGEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000545363460 504461156 /nfs/dbraw/zinc/46/11/56/504461156.db2.gz HACQAKJCLLWGJB-MRXNPFEDSA-N 0 3 363.527 3.119 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529062023 504516357 /nfs/dbraw/zinc/51/63/57/504516357.db2.gz ATTGCIRHOPNKDX-QGZVFWFLSA-N 0 3 371.485 3.293 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCCOC1 ZINC000542577991 504545268 /nfs/dbraw/zinc/54/52/68/504545268.db2.gz XHKHELVETOQPSG-PMPSAXMXSA-N 0 3 361.511 3.282 20 30 FGEDHN N#Cc1ccccc1CSCCNCc1cnn(CC(F)(F)F)c1 ZINC000532422113 504644495 /nfs/dbraw/zinc/64/44/95/504644495.db2.gz PLKWEJZEXCDVEU-UHFFFAOYSA-N 0 3 354.401 3.340 20 30 FGEDHN CC(C)(CNC(=O)CCCCOc1cccc(C#N)c1)N1CCCCC1 ZINC000521106933 504651574 /nfs/dbraw/zinc/65/15/74/504651574.db2.gz VTGBLFGDKLNVQM-UHFFFAOYSA-N 0 3 357.498 3.488 20 30 FGEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521136657 504658105 /nfs/dbraw/zinc/65/81/05/504658105.db2.gz NPFIGLUHPGDCOP-GOSISDBHSA-N 0 3 364.449 3.302 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000539830130 504708018 /nfs/dbraw/zinc/70/80/18/504708018.db2.gz CDLHZINSKBODLQ-GOSISDBHSA-N 0 3 358.482 3.094 20 30 FGEDHN COc1ccc(C[C@H](C)CN(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000536419731 504727510 /nfs/dbraw/zinc/72/75/10/504727510.db2.gz GTTNBVKLDYTABE-SFHVURJKSA-N 0 3 371.525 3.490 20 30 FGEDHN C=CCOc1ccccc1CN1CCC(Cc2nc(CCOC)no2)CC1 ZINC000529642446 504751252 /nfs/dbraw/zinc/75/12/52/504751252.db2.gz ZDMPCMMYHIJZHN-UHFFFAOYSA-N 0 3 371.481 3.278 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)cc1OC ZINC000559251628 504808458 /nfs/dbraw/zinc/80/84/58/504808458.db2.gz YISOPKGAMMBFLW-UHFFFAOYSA-N 0 3 358.482 3.208 20 30 FGEDHN CN1CCC[C@H](CNc2nc3c(cc2C#N)COCC3)[C@@H]1c1cccs1 ZINC000556200420 504818237 /nfs/dbraw/zinc/81/82/37/504818237.db2.gz IKWUIFAXMBRTEU-AUUYWEPGSA-N 0 3 368.506 3.004 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000553454119 504919276 /nfs/dbraw/zinc/91/92/76/504919276.db2.gz SRGLHQONXODTGO-FQEVSTJZSA-N 0 3 374.529 3.012 20 30 FGEDHN CN(C)C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000556616073 504922089 /nfs/dbraw/zinc/92/20/89/504922089.db2.gz QBDLVWSPXSQBRR-SFHVURJKSA-N 0 3 353.857 3.252 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000565674257 504955542 /nfs/dbraw/zinc/95/55/42/504955542.db2.gz JDMQKBCKQAGORD-ZDWTUXFCSA-N 0 3 369.509 3.150 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCc2cnc3c(C#N)cnn3c2)c1 ZINC000563150754 505060933 /nfs/dbraw/zinc/06/09/33/505060933.db2.gz QSFDYIWTUHGPIA-WOJBJXKFSA-N 0 3 361.449 3.389 20 30 FGEDHN C[C@@H]1[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000566045020 505063256 /nfs/dbraw/zinc/06/32/56/505063256.db2.gz DOPYZSVFPDXEAT-HAFPXEGZSA-N 0 3 359.473 3.441 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCCCCc2ccccc2)c1 ZINC000566110256 505084580 /nfs/dbraw/zinc/08/45/80/505084580.db2.gz XJFXZJOKNBHXAU-UHFFFAOYSA-N 0 3 356.491 3.335 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000566152245 505098369 /nfs/dbraw/zinc/09/83/69/505098369.db2.gz OIMWBPSBVCYFBY-YLJYHZDGSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000560483086 505100109 /nfs/dbraw/zinc/10/01/09/505100109.db2.gz OXWOPQZRYNHTBQ-IAGOWNOFSA-N 0 3 350.528 3.318 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000560583927 505133824 /nfs/dbraw/zinc/13/38/24/505133824.db2.gz DAPLUVJNUUGSED-ZWKOTPCHSA-N 0 3 367.415 3.178 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C)c1C1CCC1 ZINC000563492147 505154854 /nfs/dbraw/zinc/15/48/54/505154854.db2.gz SGHNZXRAFHJOQO-UHFFFAOYSA-N 0 3 364.493 3.368 20 30 FGEDHN C[C@H](NCCCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)cc1F ZINC000566380325 505159475 /nfs/dbraw/zinc/15/94/75/505159475.db2.gz GCWPXKOHAAQONL-ZDUSSCGKSA-N 0 3 351.381 3.034 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000554499323 505189405 /nfs/dbraw/zinc/18/94/05/505189405.db2.gz RACPDRVWZZNDTI-CYBMUJFWSA-N 0 3 361.467 3.311 20 30 FGEDHN COc1cc(CN(CCN(C)C)Cc2ccc(F)c(F)c2)ccc1C#N ZINC000554875083 505287214 /nfs/dbraw/zinc/28/72/14/505287214.db2.gz QNSNUCZBTMRESU-UHFFFAOYSA-N 0 3 359.420 3.409 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@]12CCCO2 ZINC000554977727 505318189 /nfs/dbraw/zinc/31/81/89/505318189.db2.gz YWJVVSXJJLHEII-ZACQAIPSSA-N 0 3 354.372 3.393 20 30 FGEDHN Cc1ccc(C)c(OC[C@@H](O)CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000567142131 505376060 /nfs/dbraw/zinc/37/60/60/505376060.db2.gz FGPDOSZVYNYBDX-NRFANRHFSA-N 0 3 368.477 3.063 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000558400093 505377206 /nfs/dbraw/zinc/37/72/06/505377206.db2.gz KBOYTXGVMPMHLL-QGZVFWFLSA-N 0 3 356.401 3.130 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccco1 ZINC000561611068 505390743 /nfs/dbraw/zinc/39/07/43/505390743.db2.gz RICAPLFUVIRNOY-SNRMKQJTSA-N 0 3 364.449 3.079 20 30 FGEDHN CN(c1nnc(-c2cccc(C#N)c2)n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000564360163 505394455 /nfs/dbraw/zinc/39/44/55/505394455.db2.gz XHDQPSJIMQRTGH-HXUWFJFHSA-N 0 3 372.476 3.064 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000558455935 505394775 /nfs/dbraw/zinc/39/47/75/505394775.db2.gz NLMMGPAOYSCTKF-MSOLQXFVSA-N 0 3 369.513 3.100 20 30 FGEDHN C=CCn1c(COCC)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000564386167 505403533 /nfs/dbraw/zinc/40/35/33/505403533.db2.gz BNZYKSVUAWLZNS-GOSISDBHSA-N 0 3 369.513 3.101 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NCCN1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000558504704 505411538 /nfs/dbraw/zinc/41/15/38/505411538.db2.gz XASVUAVSXHOCIC-QFIPXVFZSA-N 0 3 364.468 3.096 20 30 FGEDHN CC(C)(CCC#N)CNCc1cn(-c2ccccc2Br)nn1 ZINC000564482438 505430858 /nfs/dbraw/zinc/43/08/58/505430858.db2.gz WLZXNEYLZCCUDT-UHFFFAOYSA-N 0 3 362.275 3.449 20 30 FGEDHN CCOCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000555582955 505463012 /nfs/dbraw/zinc/46/30/12/505463012.db2.gz JDZMSPCDKLWIAI-UHFFFAOYSA-N 0 3 360.502 3.435 20 30 FGEDHN N#Cc1cscc1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000552372075 505476004 /nfs/dbraw/zinc/47/60/04/505476004.db2.gz OHNXDEKACUJVNT-HXUWFJFHSA-N 0 3 351.475 3.358 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](F)(c3ccccc3F)C2)CC1 ZINC000558788427 505492944 /nfs/dbraw/zinc/49/29/44/505492944.db2.gz KENDQWFJQSEVAW-HXUWFJFHSA-N 0 3 363.452 3.446 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000552497322 505503358 /nfs/dbraw/zinc/50/33/58/505503358.db2.gz GJCGSWNJPRSZMT-YJBOKZPZSA-N 0 3 358.438 3.264 20 30 FGEDHN C[C@H]1[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CCN1Cc1ccccc1 ZINC000552538147 505510019 /nfs/dbraw/zinc/51/00/19/505510019.db2.gz MBDLVMSUWCLKDI-HRAATJIYSA-N 0 3 362.477 3.017 20 30 FGEDHN CN(C)Cc1ccccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000552754795 505549386 /nfs/dbraw/zinc/54/93/86/505549386.db2.gz ASWQWHJDIGEUOF-QGZVFWFLSA-N 0 3 366.440 3.224 20 30 FGEDHN CN(Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccccc1C#N ZINC000599249172 506385082 /nfs/dbraw/zinc/38/50/82/506385082.db2.gz SVRPTTRMJGTPMH-HXUWFJFHSA-N 0 3 365.477 3.030 20 30 FGEDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1ccccc1C#N ZINC000599260360 506388769 /nfs/dbraw/zinc/38/87/69/506388769.db2.gz ZKECUFONHSMBFX-MRXNPFEDSA-N 0 3 364.367 3.449 20 30 FGEDHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)COc1ccccc1C#N ZINC000599260359 506388822 /nfs/dbraw/zinc/38/88/22/506388822.db2.gz ZKECUFONHSMBFX-INIZCTEOSA-N 0 3 364.367 3.449 20 30 FGEDHN Cc1ccc(C)c(OC2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599271528 506391930 /nfs/dbraw/zinc/39/19/30/506391930.db2.gz ZDRJWNQAFHFGEL-IBGZPJMESA-N 0 3 372.509 3.218 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2Cc2ccccc2Cl)CCOCC1 ZINC000599271114 506392095 /nfs/dbraw/zinc/39/20/95/506392095.db2.gz UTUMVKHWQXANGK-ROUUACIJSA-N 0 3 362.901 3.418 20 30 FGEDHN CC1CCC(OC2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)CC1 ZINC000599287804 506398779 /nfs/dbraw/zinc/39/87/79/506398779.db2.gz WILQRSWJJYTPSZ-JLAWEPINSA-N 0 3 364.530 3.117 20 30 FGEDHN Cc1cc(NCC2CCN(Cc3ccncc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000596435981 506403344 /nfs/dbraw/zinc/40/33/44/506403344.db2.gz GQBSXVNGKKJVPY-UHFFFAOYSA-N 0 3 365.437 3.494 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000608071543 506408004 /nfs/dbraw/zinc/40/80/04/506408004.db2.gz PBFHUMOXPMYBLC-FCEUIQTBSA-N 0 3 362.473 3.498 20 30 FGEDHN CN(CCOc1ccccc1C(C)(C)C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599394645 506439811 /nfs/dbraw/zinc/43/98/11/506439811.db2.gz ZFKMZJPQTMUVLT-SFHVURJKSA-N 0 3 374.525 3.366 20 30 FGEDHN COCC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599433268 506454031 /nfs/dbraw/zinc/45/40/31/506454031.db2.gz PBHMUDONHVUBRY-HOTGVXAUSA-N 0 3 356.388 3.427 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCCC[C@H]2Cc2ccccc2F)CCOCC1 ZINC000599450566 506461512 /nfs/dbraw/zinc/46/15/12/506461512.db2.gz KEEFFLJIMSWYAB-RBUKOAKNSA-N 0 3 360.473 3.294 20 30 FGEDHN Cc1cccc([C@H]2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174192 506472991 /nfs/dbraw/zinc/47/29/91/506472991.db2.gz URKUZVWXZZEDMU-LEWJYISDSA-N 0 3 350.462 3.290 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccn(-c2cccc(F)c2)n1)C(C)C ZINC000603287916 506477032 /nfs/dbraw/zinc/47/70/32/506477032.db2.gz WEXYHJRFUJGFKW-HXUWFJFHSA-N 0 3 370.472 3.440 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C#N)C2)N(C)C)cc1 ZINC000596600162 506483157 /nfs/dbraw/zinc/48/31/57/506483157.db2.gz BIPATNJGVGRSGY-UYAOXDASSA-N 0 3 358.486 3.022 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)c3ncc([N+](=O)[O-])cc3C#N)C2)s1 ZINC000603400079 506503244 /nfs/dbraw/zinc/50/32/44/506503244.db2.gz IXTONBCSTWJYLB-CQSZACIVSA-N 0 3 371.466 3.190 20 30 FGEDHN CN(C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000596671990 506525074 /nfs/dbraw/zinc/52/50/74/506525074.db2.gz JMNKTRQKIHBTBE-OAQYLSRUSA-N 0 3 362.477 3.017 20 30 FGEDHN N#CC1(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CCCC1 ZINC000593303049 506526012 /nfs/dbraw/zinc/52/60/12/506526012.db2.gz ZDKWFQZCWCEHNQ-UHFFFAOYSA-N 0 3 354.498 3.077 20 30 FGEDHN N#Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)ccc1Cl ZINC000596708151 506552216 /nfs/dbraw/zinc/55/22/16/506552216.db2.gz MQRGDFVUDOAIPP-NEPJUHHUSA-N 0 3 362.735 3.134 20 30 FGEDHN N#CCc1cccc2c1CCN(CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000599685778 506580322 /nfs/dbraw/zinc/58/03/22/506580322.db2.gz KLCSCRUWBHHLJZ-UHFFFAOYSA-N 0 3 373.456 3.187 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(CCOCC2)[C@@H]1C ZINC000612540226 506616809 /nfs/dbraw/zinc/61/68/09/506616809.db2.gz UDVMLAPNTOQVAR-KBPBESRZSA-N 0 3 361.873 3.430 20 30 FGEDHN Cc1csc([C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000596828010 506622036 /nfs/dbraw/zinc/62/20/36/506622036.db2.gz HCRUFWDVLBFKNS-HNNXBMFYSA-N 0 3 356.495 3.017 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000603844619 506632413 /nfs/dbraw/zinc/63/24/13/506632413.db2.gz SXSAKTGMSYOWFU-CTNGQTDRSA-N 0 3 354.425 3.469 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599781479 506633944 /nfs/dbraw/zinc/63/39/44/506633944.db2.gz BAQLOXHJIFNEJZ-UHFFFAOYSA-N 0 3 362.477 3.447 20 30 FGEDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H](C)C1 ZINC000590049698 506715746 /nfs/dbraw/zinc/71/57/46/506715746.db2.gz SLBDBBXIKCNKBJ-YZVOILCLSA-N 0 3 364.449 3.016 20 30 FGEDHN COc1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c(F)c1 ZINC000593692053 506734468 /nfs/dbraw/zinc/73/44/68/506734468.db2.gz WUOGQCULZVQQKA-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3cccc4c3OCCO4)CC2)c1 ZINC000593692328 506734769 /nfs/dbraw/zinc/73/47/69/506734769.db2.gz BMEQXSSMUBIZFI-UHFFFAOYSA-N 0 3 363.461 3.084 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1 ZINC000590216090 506766010 /nfs/dbraw/zinc/76/60/10/506766010.db2.gz CFXAWEVNNOVNGB-MRXNPFEDSA-N 0 3 364.493 3.483 20 30 FGEDHN COC[C@@H](C)Oc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000597128699 506791043 /nfs/dbraw/zinc/79/10/43/506791043.db2.gz DAAQTGPICYKQPO-UZLBHIALSA-N 0 3 367.449 3.020 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000590365692 506805252 /nfs/dbraw/zinc/80/52/52/506805252.db2.gz AAJYGMOHXUGTIV-QGZVFWFLSA-N 0 3 370.884 3.085 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@](O)(C3CC3)C2)c(-c2ccccc2)n1 ZINC000597205661 506833924 /nfs/dbraw/zinc/83/39/24/506833924.db2.gz NUVLMEAGRMPOGB-OAQYLSRUSA-N 0 3 350.466 3.201 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000604501272 506852865 /nfs/dbraw/zinc/85/28/65/506852865.db2.gz WRJIXPWJJSOYGX-OAQYLSRUSA-N 0 3 361.445 3.029 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604521383 506860442 /nfs/dbraw/zinc/86/04/42/506860442.db2.gz GTVKGACSGKPTNT-YFVAEKQCSA-N 0 3 357.498 3.094 20 30 FGEDHN COC(=O)[C@H](C)CN(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000604540468 506867251 /nfs/dbraw/zinc/86/72/51/506867251.db2.gz DTLXRRLPRFACDC-QGZVFWFLSA-N 0 3 352.434 3.248 20 30 FGEDHN N#Cc1c(F)cccc1CNCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000590594390 506871952 /nfs/dbraw/zinc/87/19/52/506871952.db2.gz QPANFYRXWRXALB-UHFFFAOYSA-N 0 3 368.408 3.264 20 30 FGEDHN C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000609500675 506900791 /nfs/dbraw/zinc/90/07/91/506900791.db2.gz JVUKQOMWESXUMU-MSOLQXFVSA-N 0 3 357.498 3.486 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCN3CCSCC3)c2)c1 ZINC000609571602 506926487 /nfs/dbraw/zinc/92/64/87/506926487.db2.gz WYDHIZLXWYAXDY-UHFFFAOYSA-N 0 3 367.518 3.276 20 30 FGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)N(CC)CC ZINC000613130729 506932333 /nfs/dbraw/zinc/93/23/33/506932333.db2.gz DELYWBNYGUHPCG-LSDHHAIUSA-N 0 3 352.276 3.250 20 30 FGEDHN N#Cc1ncc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000583796117 506978997 /nfs/dbraw/zinc/97/89/97/506978997.db2.gz LLXSNHLRVSYIOH-OAHLLOKOSA-N 0 3 369.856 3.250 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C1 ZINC000583797973 506979290 /nfs/dbraw/zinc/97/92/90/506979290.db2.gz PKSNEYWVHHNXPI-NRDMVMEKSA-N 0 3 366.509 3.232 20 30 FGEDHN N#CC1(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCCCC1 ZINC000597559045 507009114 /nfs/dbraw/zinc/00/91/14/507009114.db2.gz FACINFGKYCSQTQ-HXUWFJFHSA-N 0 3 369.509 3.258 20 30 FGEDHN CCn1cnnc1CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609851515 507023287 /nfs/dbraw/zinc/02/32/87/507023287.db2.gz TVNQTLZSQCKYOR-UHFFFAOYSA-N 0 3 361.449 3.081 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000597592366 507024206 /nfs/dbraw/zinc/02/42/06/507024206.db2.gz UWGURYYTRGXRID-HNNXBMFYSA-N 0 3 355.388 3.088 20 30 FGEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000597604498 507026540 /nfs/dbraw/zinc/02/65/40/507026540.db2.gz JDJAZQQLZMRHSI-GOSISDBHSA-N 0 3 364.449 3.302 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)c1ccco1 ZINC000594247161 507039426 /nfs/dbraw/zinc/03/94/26/507039426.db2.gz AZQIIIZRFVMGQO-RDTXWAMCSA-N 0 3 352.438 3.306 20 30 FGEDHN CCCC[C@@H](NC(=O)C(C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000609920697 507049734 /nfs/dbraw/zinc/04/97/34/507049734.db2.gz BFJCETDSWLKKKC-MAUKXSAKSA-N 0 3 356.470 3.060 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000597697745 507064190 /nfs/dbraw/zinc/06/41/90/507064190.db2.gz ZVLIAFWTNZBZEA-DLBZAZTESA-N 0 3 369.490 3.017 20 30 FGEDHN C[C@H](Cc1cccc(F)c1)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590971766 507067452 /nfs/dbraw/zinc/06/74/52/507067452.db2.gz LANHSWCSLCBWNP-UZLBHIALSA-N 0 3 356.441 3.194 20 30 FGEDHN CC(C)N1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000610009944 507071130 /nfs/dbraw/zinc/07/11/30/507071130.db2.gz HKKUHHLICHPSRL-HXUWFJFHSA-N 0 3 363.461 3.236 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000584048742 507123483 /nfs/dbraw/zinc/12/34/83/507123483.db2.gz FELVJGUBXDTDGM-RXVVDRJESA-N 0 3 354.425 3.299 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000594426987 507128022 /nfs/dbraw/zinc/12/80/22/507128022.db2.gz GTGLYLDJQOSAAT-SFHVURJKSA-N 0 3 368.412 3.428 20 30 FGEDHN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594430002 507129318 /nfs/dbraw/zinc/12/93/18/507129318.db2.gz YSZVIRAGIBHXTM-YJBOKZPZSA-N 0 3 373.501 3.149 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000594435140 507130995 /nfs/dbraw/zinc/13/09/95/507130995.db2.gz AXFCHWADMZBMKC-IBGZPJMESA-N 0 3 355.482 3.304 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000594445345 507137802 /nfs/dbraw/zinc/13/78/02/507137802.db2.gz DGLKHZMJFLUHKD-ROUUACIJSA-N 0 3 362.905 3.004 20 30 FGEDHN COC(=O)c1ccccc1CCN(C)CCOCc1ccc(C#N)cc1 ZINC000584076919 507137921 /nfs/dbraw/zinc/13/79/21/507137921.db2.gz UEEIGXKJWZCXFL-UHFFFAOYSA-N 0 3 352.434 3.036 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(COc2ccc(F)cc2)cc1 ZINC000594449862 507139549 /nfs/dbraw/zinc/13/95/49/507139549.db2.gz PNIZIARUFAGLFB-FQEVSTJZSA-N 0 3 369.440 3.432 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000594501297 507157467 /nfs/dbraw/zinc/15/74/67/507157467.db2.gz YOUOWHRBOYLTPX-UHFFFAOYSA-N 0 3 372.490 3.060 20 30 FGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000594505950 507159176 /nfs/dbraw/zinc/15/91/76/507159176.db2.gz GGOGPNIQYXDZFK-LJQANCHMSA-N 0 3 354.498 3.258 20 30 FGEDHN C[C@@H](NC(=O)NCc1cccc(OCCN(C)C)c1)c1cccc(C#N)c1 ZINC000610348688 507206185 /nfs/dbraw/zinc/20/61/85/507206185.db2.gz SXSIOAKLRZFHSJ-MRXNPFEDSA-N 0 3 366.465 3.059 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@H](OC3CCC3)C2)c(-c2ccncc2)n1 ZINC000594614738 507213684 /nfs/dbraw/zinc/21/36/84/507213684.db2.gz ZGZDWWILKMWZQW-HXUWFJFHSA-N 0 3 365.481 3.392 20 30 FGEDHN N#Cc1ccc(CNCCC2(O)CCN(c3ccccc3)CC2)cc1F ZINC000601148908 507277038 /nfs/dbraw/zinc/27/70/38/507277038.db2.gz BJCZKKXHZPPYRI-UHFFFAOYSA-N 0 3 353.441 3.209 20 30 FGEDHN COc1ccc(N2C[C@@H](NCc3ccc(C(C)(C)C#N)cc3)CC2=O)cc1 ZINC000594967353 507334789 /nfs/dbraw/zinc/33/47/89/507334789.db2.gz WVPMHBSXWULUBZ-SFHVURJKSA-N 0 3 363.461 3.391 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000614016862 507335536 /nfs/dbraw/zinc/33/55/36/507335536.db2.gz YDTAHNKTVJPUNQ-CTNGQTDRSA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000598261976 507348512 /nfs/dbraw/zinc/34/85/12/507348512.db2.gz WCFFWZWRKDOLME-HNNXBMFYSA-N 0 3 352.438 3.063 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000598298020 507363476 /nfs/dbraw/zinc/36/34/76/507363476.db2.gz WWJAHSQEMSXBDU-IPMKNSEASA-N 0 3 365.477 3.483 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)NCC3(C#N)CCCCC3)CC2)c1 ZINC000598305222 507367845 /nfs/dbraw/zinc/36/78/45/507367845.db2.gz RVUIABULXWQJRY-UHFFFAOYSA-N 0 3 368.525 3.097 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)c1ccccc1CC#N)c1ccc(Cl)cc1 ZINC000601573407 507392039 /nfs/dbraw/zinc/39/20/39/507392039.db2.gz AXZYFLSNRWHJRI-QGZVFWFLSA-N 0 3 355.869 3.481 20 30 FGEDHN Cc1cccc([C@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000610822001 507403135 /nfs/dbraw/zinc/40/31/35/507403135.db2.gz VOTNYPCJGUEPEE-WIYYLYMNSA-N 0 3 351.450 3.033 20 30 FGEDHN Cc1ccccc1C(F)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598393649 507405366 /nfs/dbraw/zinc/40/53/66/507405366.db2.gz ISOMLBUPGZDJBU-QGZVFWFLSA-N 0 3 353.372 3.457 20 30 FGEDHN COc1ccc([C@H](Cc2ccccc2)NCC(=O)NC2(C#N)CCC2)cc1 ZINC000584710846 507464185 /nfs/dbraw/zinc/46/41/85/507464185.db2.gz IJKDKUQTZPNFGQ-FQEVSTJZSA-N 0 3 363.461 3.131 20 30 FGEDHN Cc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000610987472 507468469 /nfs/dbraw/zinc/46/84/69/507468469.db2.gz DLTPDAOCCAKSJD-VQIMIIECSA-N 0 3 371.506 3.267 20 30 FGEDHN C[C@H]1COCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610990967 507471165 /nfs/dbraw/zinc/47/11/65/507471165.db2.gz WWIKAZWPYYHMMP-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN CC[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H](C)N1 ZINC000598536803 507475598 /nfs/dbraw/zinc/47/55/98/507475598.db2.gz XNLYVNIBLVTAMT-OXJNMPFZSA-N 0 3 363.461 3.350 20 30 FGEDHN CN(C)CCOc1ccccc1N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595377233 507476137 /nfs/dbraw/zinc/47/61/37/507476137.db2.gz NDIAMHOMUXAMIS-NRFANRHFSA-N 0 3 364.493 3.014 20 30 FGEDHN N#CC1(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000595421448 507489273 /nfs/dbraw/zinc/48/92/73/507489273.db2.gz JNAJDTFILLKFQC-UHFFFAOYSA-N 0 3 354.498 3.424 20 30 FGEDHN CC[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000595446565 507500857 /nfs/dbraw/zinc/50/08/57/507500857.db2.gz CYYRSBNSYOVTCB-PXNSSMCTSA-N 0 3 354.498 3.159 20 30 FGEDHN CC[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000595446559 507501503 /nfs/dbraw/zinc/50/15/03/507501503.db2.gz CYYRSBNSYOVTCB-FXAWDEMLSA-N 0 3 354.498 3.159 20 30 FGEDHN CN(C[C@H](O)CC(C)(C)C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000598587017 507508831 /nfs/dbraw/zinc/50/88/31/507508831.db2.gz LRNWVYJGMDMNPK-LYRGGWFBSA-N 0 3 357.281 3.184 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H]1C ZINC000611092295 507512634 /nfs/dbraw/zinc/51/26/34/507512634.db2.gz OBPSLYCRJDNNEN-HUUCEWRRSA-N 0 3 374.554 3.099 20 30 FGEDHN CN(C)CCOc1cnccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000584832444 507530856 /nfs/dbraw/zinc/53/08/56/507530856.db2.gz XNDUNJDCDJDIAA-NRFANRHFSA-N 0 3 364.493 3.451 20 30 FGEDHN CN1CC[C@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000611162114 507541739 /nfs/dbraw/zinc/54/17/39/507541739.db2.gz WMVXQFDSMDYAKB-BDTNDASRSA-N 0 3 374.488 3.089 20 30 FGEDHN CCCN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCN(C)C1 ZINC000592258768 507566882 /nfs/dbraw/zinc/56/68/82/507566882.db2.gz WNHUKPGFTBNVGN-AWEZNQCLSA-N 0 3 365.275 3.269 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)C1CC1 ZINC000595586340 507576899 /nfs/dbraw/zinc/57/68/99/507576899.db2.gz JVEHCJVQOFKZPJ-UYAOXDASSA-N 0 3 354.498 3.232 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@H](n3ccnc3)C2)c(-c2ccccc2)n1 ZINC000611268120 507592917 /nfs/dbraw/zinc/59/29/17/507592917.db2.gz OVOGWKVHGDFMTK-HXUWFJFHSA-N 0 3 360.465 3.497 20 30 FGEDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@H](C)c1cccc(C#N)c1 ZINC000585726123 507606674 /nfs/dbraw/zinc/60/66/74/507606674.db2.gz VUFGQDDPCMIMCH-CHWSQXEVSA-N 0 3 360.255 3.222 20 30 FGEDHN C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@@H]3CCC[C@@H](C#N)C3)c2)C1=O ZINC000585765461 507620282 /nfs/dbraw/zinc/62/02/82/507620282.db2.gz HTZDHNNJBRVBRI-SOIKWTOOSA-N 0 3 366.465 3.083 20 30 FGEDHN CCN(CC)CCN(C(=O)[C@H](C)CC#N)c1ccc(Br)cn1 ZINC000598830214 507624993 /nfs/dbraw/zinc/62/49/93/507624993.db2.gz CFGHWTZNDRVPGV-CYBMUJFWSA-N 0 3 367.291 3.069 20 30 FGEDHN CNC(=O)[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)Cc1ccc(F)cc1C ZINC000592391644 507634239 /nfs/dbraw/zinc/63/42/39/507634239.db2.gz SEYHPGJXIPZDIW-KDOFPFPSSA-N 0 3 371.431 3.400 20 30 FGEDHN C[C@@H](NCCCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000611389566 507658093 /nfs/dbraw/zinc/65/80/93/507658093.db2.gz ZNWFQOKYRCNOKN-OAHLLOKOSA-N 0 3 358.463 3.081 20 30 FGEDHN CC(C)Cn1nccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000592497174 507679571 /nfs/dbraw/zinc/67/95/71/507679571.db2.gz MXURDCIIBDXDTK-UHFFFAOYSA-N 0 3 351.498 3.119 20 30 FGEDHN CC[C@H](C#N)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000602351692 507679863 /nfs/dbraw/zinc/67/98/63/507679863.db2.gz ARBYLSZMTYPVRG-KZNAEPCWSA-N 0 3 368.506 3.119 20 30 FGEDHN N#CCN1CCC(NCc2cccc(Br)c2OC(F)F)CC1 ZINC000611471306 507696816 /nfs/dbraw/zinc/69/68/16/507696816.db2.gz OSKXCZNCLVRKGI-UHFFFAOYSA-N 0 3 374.229 3.128 20 30 FGEDHN C[C@H](CCC#N)CN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000602432184 507710123 /nfs/dbraw/zinc/71/01/23/507710123.db2.gz XCEBZRDSGVJXLQ-MRXNPFEDSA-N 0 3 373.526 3.288 20 30 FGEDHN COc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccc1OC(F)F ZINC000602501309 507730401 /nfs/dbraw/zinc/73/04/01/507730401.db2.gz GGBWUFKWGCNVGC-CYBMUJFWSA-N 0 3 354.397 3.485 20 30 FGEDHN CCCCNC(=O)c1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602514327 507732927 /nfs/dbraw/zinc/73/29/27/507732927.db2.gz JJAMFBNUHDJXOO-QGZVFWFLSA-N 0 3 357.498 3.405 20 30 FGEDHN CCOc1ccc(C2(CNCc3cccc(C#N)n3)CCOCC2)cc1 ZINC000602521079 507736459 /nfs/dbraw/zinc/73/64/59/507736459.db2.gz LOIQDFKDAJCOFF-UHFFFAOYSA-N 0 3 351.450 3.190 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000602520143 507737018 /nfs/dbraw/zinc/73/70/18/507737018.db2.gz FNNWQQRXWRVXSR-MOPGFXCFSA-N 0 3 371.525 3.096 20 30 FGEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000602534218 507740992 /nfs/dbraw/zinc/74/09/92/507740992.db2.gz HNMNPWMMKQYDRP-INIZCTEOSA-N 0 3 357.255 3.084 20 30 FGEDHN Cc1cc(=NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)[nH]n1CCC#N ZINC000540816690 562593767 /nfs/dbraw/zinc/59/37/67/562593767.db2.gz XXHPWRIUCMEJQL-FUHWJXTLSA-N 0 3 366.469 3.062 20 30 FGEDHN Clc1cc(-c2nnn[n-]2)cc(N=NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000826349995 608539222 /nfs/dbraw/zinc/53/92/22/608539222.db2.gz CUNKGNKFDKUVPO-UHFFFAOYSA-N 0 3 374.880 3.112 20 30 FGEDHN Clc1cc(-c2nn[n-]n2)cc(N=NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000826349995 608539225 /nfs/dbraw/zinc/53/92/25/608539225.db2.gz CUNKGNKFDKUVPO-UHFFFAOYSA-N 0 3 374.880 3.112 20 30 FGEDHN N#CC(C(=O)c1csc(Br)c1)c1nnc2n1CCCCC2 ZINC000041505941 695762627 /nfs/dbraw/zinc/76/26/27/695762627.db2.gz XCENONUGHKELOA-JTQLQIEISA-N 0 3 365.256 3.319 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000049252353 695893363 /nfs/dbraw/zinc/89/33/63/695893363.db2.gz GCHNOGZEFIHGLP-ZDUSSCGKSA-N 0 3 359.451 3.269 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000119601514 700633826 /nfs/dbraw/zinc/63/38/26/700633826.db2.gz MIPSXTVCZFLHFD-QWHCGFSZSA-N 0 3 364.829 3.286 20 30 FGEDHN N#CC(C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1ccccn1 ZINC000126410820 700747918 /nfs/dbraw/zinc/74/79/18/700747918.db2.gz ZYOWILUISBJYQG-AWEZNQCLSA-N 0 3 359.838 3.316 20 30 FGEDHN C#C[C@H](OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000152855234 704975729 /nfs/dbraw/zinc/97/57/29/704975729.db2.gz KBYHXEALXFNZTE-WFASDCNBSA-N 0 3 352.217 3.301 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(Br)cc1 ZINC000155601415 705084840 /nfs/dbraw/zinc/08/48/40/705084840.db2.gz DVWCVDWJXLHMGZ-XHDPSFHLSA-N 0 3 363.255 3.320 20 30 FGEDHN Cc1nc(Cl)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000158846096 705201294 /nfs/dbraw/zinc/20/12/94/705201294.db2.gz ZXLFVNOCIKQCEM-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175860532 705562115 /nfs/dbraw/zinc/56/21/15/705562115.db2.gz BFOYFVCEGBOXFJ-SJORKVTESA-N 0 3 363.527 3.178 20 30 FGEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000179977907 705723068 /nfs/dbraw/zinc/72/30/68/705723068.db2.gz CEMLWIJSUHPYAZ-MRXNPFEDSA-N 0 3 357.797 3.483 20 30 FGEDHN CSc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000193441884 712891533 /nfs/dbraw/zinc/89/15/33/712891533.db2.gz FYNCFINITHYORV-CYBMUJFWSA-N 0 3 355.375 3.278 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSCc1ccco1 ZINC000255028606 713680896 /nfs/dbraw/zinc/68/08/96/713680896.db2.gz OHWFUEKMNQMETL-QQBNSCQMSA-N 0 3 356.403 3.383 20 30 FGEDHN C[C@H](CN1CCOCC1)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374955754 713955843 /nfs/dbraw/zinc/95/58/43/713955843.db2.gz YDZUHVRMXNIPFC-HUUCEWRRSA-N 0 3 356.495 3.053 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000525742116 714374149 /nfs/dbraw/zinc/37/41/49/714374149.db2.gz UIZULELJKKMEFT-UHFFFAOYSA-N 0 3 374.229 3.499 20 30 FGEDHN OC[C@@H](NCCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000639917220 717628031 /nfs/dbraw/zinc/62/80/31/717628031.db2.gz BYFVQKISEAGQOO-LLVKDONJSA-N 0 3 363.273 3.245 20 30 FGEDHN CCn1cc(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000781447821 724565302 /nfs/dbraw/zinc/56/53/02/724565302.db2.gz LPZIFCHCAVFOOM-GFCCVEGCSA-N 0 3 365.220 3.100 20 30 FGEDHN C=CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@H](C)COC ZINC000664969791 720715614 /nfs/dbraw/zinc/71/56/14/720715614.db2.gz IXCVQXPZCLTMRW-QAPCUYQASA-N 0 3 365.543 3.244 20 30 FGEDHN Cc1ccc(CC#N)c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862451 721007131 /nfs/dbraw/zinc/00/71/31/721007131.db2.gz QKGJKTUZFOYRGK-INIZCTEOSA-N 0 3 352.486 3.074 20 30 FGEDHN C=CCOc1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000667101463 721030240 /nfs/dbraw/zinc/03/02/40/721030240.db2.gz XBNZAOZKWOSYMF-LSDHHAIUSA-N 0 3 359.344 3.174 20 30 FGEDHN C=CCOc1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000667101461 721030378 /nfs/dbraw/zinc/03/03/78/721030378.db2.gz XBNZAOZKWOSYMF-GJZGRUSLSA-N 0 3 359.344 3.174 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C2(CO)CC2)cc1OCC ZINC000668801558 721360746 /nfs/dbraw/zinc/36/07/46/721360746.db2.gz IPTGLKXOABUPTD-UHFFFAOYSA-N 0 3 370.287 3.369 20 30 FGEDHN C=CCN1CCN(c2nc(CN(CC)CC)nc3sc(C)c(C)c32)CC1 ZINC001165032471 721870386 /nfs/dbraw/zinc/87/03/86/721870386.db2.gz UWNFCGBXPGJGNR-UHFFFAOYSA-N 0 3 373.570 3.458 20 30 FGEDHN C=CCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000685897519 722406989 /nfs/dbraw/zinc/40/69/89/722406989.db2.gz PXTKXCIZUWLINB-UHFFFAOYSA-N 0 3 366.303 3.241 20 30 FGEDHN C=CCN1CCC(NC(=S)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000729942024 722463576 /nfs/dbraw/zinc/46/35/76/722463576.db2.gz FXBOKNOAEAINBI-UHFFFAOYSA-N 0 3 357.445 3.320 20 30 FGEDHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1CCN(CC#N)CC1 ZINC000730579164 722469480 /nfs/dbraw/zinc/46/94/80/722469480.db2.gz YFLMAENJQOUFDQ-UHFFFAOYSA-N 0 3 361.852 3.051 20 30 FGEDHN CCCN1CCN(c2ccccc2CN=Nc2nccnc2Cl)CC1 ZINC000733078286 722492206 /nfs/dbraw/zinc/49/22/06/722492206.db2.gz AJAZDBLDYQZQEJ-UHFFFAOYSA-N 0 3 358.877 3.108 20 30 FGEDHN C#CCN(CCCCCO)[C@H]1CCOc2ccc(Br)cc21 ZINC000733614001 722499689 /nfs/dbraw/zinc/49/96/89/722499689.db2.gz UKUNHWAREINYJR-INIZCTEOSA-N 0 3 352.272 3.371 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(F)(F)C(F)F ZINC000749364653 722726047 /nfs/dbraw/zinc/72/60/47/722726047.db2.gz YZRMRSWNJHIZGW-UHFFFAOYSA-N 0 3 374.300 3.496 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000751144987 722796236 /nfs/dbraw/zinc/79/62/36/722796236.db2.gz AUUUYZNDSHFOME-DOTOQJQBSA-N 0 3 350.384 3.023 20 30 FGEDHN CN(CCc1nccs1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000753278438 722892467 /nfs/dbraw/zinc/89/24/67/722892467.db2.gz PWUHHFYYFRZCTL-LBPRGKRZSA-N 0 3 356.476 3.104 20 30 FGEDHN CC(C)(C)[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000790435387 723139825 /nfs/dbraw/zinc/13/98/25/723139825.db2.gz LREYFQKEOYECOS-GUYCJALGSA-N 0 3 357.479 3.219 20 30 FGEDHN CCCC[C@@](C)(NCC(=O)NCCC#N)c1cccc(Br)c1 ZINC000796522605 723641364 /nfs/dbraw/zinc/64/13/64/723641364.db2.gz HUZCHBKJJAFETH-QGZVFWFLSA-N 0 3 366.303 3.474 20 30 FGEDHN CCCC[C@@H](NC(=O)NCC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797571879 723836382 /nfs/dbraw/zinc/83/63/82/723836382.db2.gz WMLPPDYVAHAQCI-CHWSQXEVSA-N 0 3 364.515 3.495 20 30 FGEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1S(=O)(=O)C(F)F ZINC000797587725 723838475 /nfs/dbraw/zinc/83/84/75/723838475.db2.gz XLGCGGYYALOEKU-LLVKDONJSA-N 0 3 358.410 3.036 20 30 FGEDHN CCCN(CCC)c1ccc(C=NNCC(C)(C)S(C)(=O)=O)cc1 ZINC000774483133 723898904 /nfs/dbraw/zinc/89/89/04/723898904.db2.gz NDHKRHBAHRGNNU-UHFFFAOYSA-N 0 3 353.532 3.060 20 30 FGEDHN Cn1cc(CN[C@@H](CCO)c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000778091108 724295791 /nfs/dbraw/zinc/29/57/91/724295791.db2.gz BEMORPXOYOSFHE-KRWDZBQOSA-N 0 3 352.463 3.234 20 30 FGEDHN COc1cc(OC)c(OC)cc1CN(CCO[C@H](C)C#N)C(C)(C)C ZINC000801928233 724347081 /nfs/dbraw/zinc/34/70/81/724347081.db2.gz NPPBAHWRSRVFPH-CQSZACIVSA-N 0 3 350.459 3.242 20 30 FGEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)NCc1ccc(F)cc1F ZINC000802213019 724364939 /nfs/dbraw/zinc/36/49/39/724364939.db2.gz LSHMWRILZKEMLZ-LBPRGKRZSA-N 0 3 368.792 3.247 20 30 FGEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000805854536 725100677 /nfs/dbraw/zinc/10/06/77/725100677.db2.gz XANGTONKIPIMHN-OVGLSYRBSA-N 0 3 368.405 3.464 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CCSC)C(=O)NC)cc1 ZINC000806663815 725139887 /nfs/dbraw/zinc/13/98/87/725139887.db2.gz VKZHTHXDKPWMEL-CJNGLKHVSA-N 0 3 356.919 3.336 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000809903012 725275266 /nfs/dbraw/zinc/27/52/66/725275266.db2.gz WNNKBQMFLZOGSJ-KGLIPLIRSA-N 0 3 360.893 3.098 20 30 FGEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000812971123 726827131 /nfs/dbraw/zinc/82/71/31/726827131.db2.gz XCUAWIHDKCLTSS-KRWDZBQOSA-N 0 3 355.360 3.311 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)s1 ZINC000819541905 727381737 /nfs/dbraw/zinc/38/17/37/727381737.db2.gz ZTWZVQUQCDDTPY-STQMWFEESA-N 0 3 371.959 3.001 20 30 FGEDHN C#C[C@@H](NC(=O)N(CCN(C)C)Cc1ccsc1)c1ccc(F)cc1 ZINC000820464448 728997078 /nfs/dbraw/zinc/99/70/78/728997078.db2.gz OVQXOOVVPQJUPD-GOSISDBHSA-N 0 3 359.470 3.335 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000825045762 729368982 /nfs/dbraw/zinc/36/89/82/729368982.db2.gz KSPMGIQMCCTGKR-KUHUBIRLSA-N 0 3 359.857 3.095 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000825045761 729368996 /nfs/dbraw/zinc/36/89/96/729368996.db2.gz KSPMGIQMCCTGKR-IFXJQAMLSA-N 0 3 359.857 3.095 20 30 FGEDHN C=CCN(CCCON1C(=O)c2ccccc2C1=O)Cc1cccs1 ZINC000827304116 729428421 /nfs/dbraw/zinc/42/84/21/729428421.db2.gz UFYXSNOPNULGOQ-UHFFFAOYSA-N 0 3 356.447 3.354 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCCc2ccc(Br)cc21 ZINC000834759845 729832140 /nfs/dbraw/zinc/83/21/40/729832140.db2.gz GEKVGJDBRKMGST-MRXNPFEDSA-N 0 3 372.328 3.407 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000840704861 730164226 /nfs/dbraw/zinc/16/42/26/730164226.db2.gz BCJIOSXXIYKIDJ-MOSHPQCFSA-N 0 3 366.527 3.261 20 30 FGEDHN COc1cc([C@H](C)NCC(C)(C)CC#N)ccc1S(=O)(=O)C(F)F ZINC000840787413 730173946 /nfs/dbraw/zinc/17/39/46/730173946.db2.gz XQRBOSORLIUZSZ-NSHDSACASA-N 0 3 360.426 3.282 20 30 FGEDHN CC[C@@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC(C)C ZINC000842287845 730480669 /nfs/dbraw/zinc/48/06/69/730480669.db2.gz CMQKKNVDSANZKW-DZGCQCFKSA-N 0 3 365.271 3.251 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000848427565 731164124 /nfs/dbraw/zinc/16/41/24/731164124.db2.gz SCEXEYFLIVVAKM-ZBFHGGJFSA-N 0 3 353.388 3.433 20 30 FGEDHN CON=Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000849190161 731234563 /nfs/dbraw/zinc/23/45/63/731234563.db2.gz UDJYHTJXYCFFQE-QGZVFWFLSA-N 0 3 357.479 3.295 20 30 FGEDHN C=CCOc1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1Cl ZINC000850347985 731345837 /nfs/dbraw/zinc/34/58/37/731345837.db2.gz BZVUEOHKEAYECD-JOCHJYFZSA-N 0 3 355.809 3.305 20 30 FGEDHN O=[S@@](CCNCc1ccc(F)cc1C(F)(F)F)CC(F)(F)F ZINC000850349060 731346206 /nfs/dbraw/zinc/34/62/06/731346206.db2.gz YVZYPXNFOBZSFA-QFIPXVFZSA-N 0 3 351.287 3.245 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)[C@H]2CCCO2)cc1Cl ZINC000850760565 731385762 /nfs/dbraw/zinc/38/57/62/731385762.db2.gz ACUGMIQRVZEGFP-NORZTCDRSA-N 0 3 364.829 3.201 20 30 FGEDHN CCN(C)Cc1cc(O[C@@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553251 732038084 /nfs/dbraw/zinc/03/80/84/732038084.db2.gz LLVDYVNGYYUTTK-GOSISDBHSA-N 0 3 356.495 3.120 20 30 FGEDHN C#CC[C@@H](CCOC)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000858333950 732204295 /nfs/dbraw/zinc/20/42/95/732204295.db2.gz QCBUCFZEGJNTPK-HNNXBMFYSA-N 0 3 362.271 3.357 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC(F)(F)C(F)(F)F ZINC000864911173 733113598 /nfs/dbraw/zinc/11/35/98/733113598.db2.gz QLMLRWKKFYVRBT-UHFFFAOYSA-N 0 3 363.330 3.036 20 30 FGEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2CCCN(C)[C@H]2c2cccs2)C1=O ZINC000865304064 733176984 /nfs/dbraw/zinc/17/69/84/733176984.db2.gz ACSJGLJKGOIFAO-KCQAQPDRSA-N 0 3 367.902 3.194 20 30 FGEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H](c2ccc(SC)cc2)N(C)C)C1=O ZINC000865309759 733178460 /nfs/dbraw/zinc/17/84/60/733178460.db2.gz NTIKJLHMBJPMGO-GJZGRUSLSA-N 0 3 367.902 3.074 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)O1 ZINC000870143629 733815805 /nfs/dbraw/zinc/81/58/05/733815805.db2.gz WHTIVUPZJOSCKN-LSKIRQOJSA-N 0 3 355.221 3.454 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872315376 735615171 /nfs/dbraw/zinc/61/51/71/735615171.db2.gz ROEXQFACTYPCQH-BJZITVGISA-N 0 3 359.495 3.321 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000876614344 736121641 /nfs/dbraw/zinc/12/16/41/736121641.db2.gz KYHUWRGCOOWREC-MRXNPFEDSA-N 0 3 364.852 3.077 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC000876621700 736122592 /nfs/dbraw/zinc/12/25/92/736122592.db2.gz FZJRPNZMHNDPPF-GOEBONIOSA-N 0 3 363.889 3.418 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000876893128 736159020 /nfs/dbraw/zinc/15/90/20/736159020.db2.gz IOHDYPPPGKUUML-OAHLLOKOSA-N 0 3 360.889 3.232 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000876898870 736159974 /nfs/dbraw/zinc/15/99/74/736159974.db2.gz XCAKRLMYJDZGLU-UONOGXRCSA-N 0 3 362.779 3.075 20 30 FGEDHN CC(C)(C)OC(=O)NCC1(CCNCc2cc(C#N)cnc2Cl)CC1 ZINC000877612788 736692787 /nfs/dbraw/zinc/69/27/87/736692787.db2.gz OTGRAMBHQZXOSU-UHFFFAOYSA-N 0 3 364.877 3.391 20 30 FGEDHN CCOC(=O)c1sc(C2CCN(CCCSCC#N)CC2)nc1C ZINC000879679318 737030992 /nfs/dbraw/zinc/03/09/92/737030992.db2.gz JKRSYZMKJMJRMC-UHFFFAOYSA-N 0 3 367.540 3.455 20 30 FGEDHN Cn1nc2c(c1CNCCSCc1ccccc1C#N)CSCC2 ZINC000882880600 737499993 /nfs/dbraw/zinc/49/99/93/737499993.db2.gz ACFNWDUUTAVASQ-UHFFFAOYSA-N 0 3 358.536 3.104 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC000884164253 737639653 /nfs/dbraw/zinc/63/96/53/737639653.db2.gz BVSKOVAZCBTMBO-XYEKJYRLSA-N 0 3 364.276 3.017 20 30 FGEDHN C#CCN(C(=O)[C@H](C)c1ccc(Br)s1)C1CCN(C)CC1 ZINC000886581214 739272208 /nfs/dbraw/zinc/27/22/08/739272208.db2.gz NZFLDRMCBPLBMR-GFCCVEGCSA-N 0 3 369.328 3.170 20 30 FGEDHN C#CCN(C(=O)c1cc(-c2cccc(Cl)c2)no1)C1CCN(C)CC1 ZINC000886582168 739272537 /nfs/dbraw/zinc/27/25/37/739272537.db2.gz IPCJNHNTSLXLJA-UHFFFAOYSA-N 0 3 357.841 3.165 20 30 FGEDHN CCO/C=C\[C@](O)(CNCc1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000895717942 742446362 /nfs/dbraw/zinc/44/63/62/742446362.db2.gz OTIYXSRIEVGTJO-IBSYWUHOSA-N 0 3 356.388 3.421 20 30 FGEDHN CN(C)c1ccc([C@H](CNCc2cc(C#N)cnc2Cl)N(C)C)cc1 ZINC000898450144 742795406 /nfs/dbraw/zinc/79/54/06/742795406.db2.gz OKGHQIFZNRZZSE-SFHVURJKSA-N 0 3 357.889 3.065 20 30 FGEDHN C[C@H]1CCCC[C@H]1NC(=S)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000916015733 758024304 /nfs/dbraw/zinc/02/43/04/758024304.db2.gz HUHNAZXNHCBPML-QFBILLFUSA-N 0 3 358.555 3.375 20 30 FGEDHN S=C(NN=C[C@@H]1CC=CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000916307233 758067689 /nfs/dbraw/zinc/06/76/89/758067689.db2.gz YLYBGDSHARWTFS-QGZVFWFLSA-N 0 3 356.539 3.457 20 30 FGEDHN N#CC(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CCCC1 ZINC000916866838 758147112 /nfs/dbraw/zinc/14/71/12/758147112.db2.gz JLQZRDSKFGVCBQ-OAHLLOKOSA-N 0 3 373.865 3.337 20 30 FGEDHN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000916909449 758153983 /nfs/dbraw/zinc/15/39/83/758153983.db2.gz BNUAUQQUXACQQY-UONOGXRCSA-N 0 3 358.829 3.452 20 30 FGEDHN C[C@H](CC(C)(C)C#N)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000925626097 759513714 /nfs/dbraw/zinc/51/37/14/759513714.db2.gz OBEDUMSOEODBHT-MRXNPFEDSA-N 0 3 363.527 3.030 20 30 FGEDHN CCS(=O)(=O)c1ccccc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000926908067 759843081 /nfs/dbraw/zinc/84/30/81/759843081.db2.gz HBSPTBNMTCSGQT-AWEZNQCLSA-N 0 3 360.454 3.384 20 30 FGEDHN C#Cc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC000931616244 760912801 /nfs/dbraw/zinc/91/28/01/760912801.db2.gz PUIKEQZDHVNEGD-CZUORRHYSA-N 0 3 354.372 3.038 20 30 FGEDHN CCC[C@@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945068 761282596 /nfs/dbraw/zinc/28/25/96/761282596.db2.gz QPHWCFXPWHMVBV-HLTSFMKQSA-N 0 3 355.269 3.250 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC000970560163 762879999 /nfs/dbraw/zinc/87/99/99/762879999.db2.gz JZUBUFIWWZQXRG-SNRMKQJTSA-N 0 3 362.539 3.098 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000972513443 762967304 /nfs/dbraw/zinc/96/73/04/762967304.db2.gz KXGIJPFZNWJFCU-FHWLQOOXSA-N 0 3 362.539 3.461 20 30 FGEDHN CC1(C)CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1NCc1ccc(C#N)s1 ZINC000996072085 764986140 /nfs/dbraw/zinc/98/61/40/764986140.db2.gz OYMUGGSFALBMPK-JCGIZDLHSA-N 0 3 357.523 3.383 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2ccccc2Cl)C(C)(C)C1 ZINC000996330466 765000480 /nfs/dbraw/zinc/00/04/80/765000480.db2.gz LXCOSNVAJHWLNM-BPQIPLTHSA-N 0 3 362.901 3.258 20 30 FGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000998916090 765127938 /nfs/dbraw/zinc/12/79/38/765127938.db2.gz SLJNZOUBAJRHLM-GMNCBBECSA-N 0 3 362.901 3.486 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001020167766 765866182 /nfs/dbraw/zinc/86/61/82/765866182.db2.gz DSXCWCAGRDQCGM-BHPKHCPMSA-N 0 3 354.903 3.120 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC001020604805 765881631 /nfs/dbraw/zinc/88/16/31/765881631.db2.gz PABWCHJNKCLQQX-ANQUJSFKSA-N 0 3 369.292 3.321 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2ccc(Cl)s2)C1 ZINC001029846058 766155764 /nfs/dbraw/zinc/15/57/64/766155764.db2.gz XRRUPGOYUMCBEA-BMFZPTHFSA-N 0 3 368.930 3.273 20 30 FGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1 ZINC001039205107 766294522 /nfs/dbraw/zinc/29/45/22/766294522.db2.gz KPHJGRBOLQIYHP-NJAFHUGGSA-N 0 3 354.922 3.115 20 30 FGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)CC1 ZINC001040821562 766327294 /nfs/dbraw/zinc/32/72/94/766327294.db2.gz IEHCFVYIQIAAOY-HUUCEWRRSA-N 0 3 362.926 3.453 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001040881050 766329394 /nfs/dbraw/zinc/32/93/94/766329394.db2.gz HVFALGOHURDKTD-AJPIGDEESA-N 0 3 352.906 3.035 20 30 FGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001049551476 766793218 /nfs/dbraw/zinc/79/32/18/766793218.db2.gz GPSNKXBLUMCMAL-LTIDMASMSA-N 0 3 356.432 3.444 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1csc(C)c1 ZINC001049732746 766805214 /nfs/dbraw/zinc/80/52/14/766805214.db2.gz QRWOKMOSHFYVJD-YRXWBPOGSA-N 0 3 360.523 3.213 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001054212981 767003794 /nfs/dbraw/zinc/00/37/94/767003794.db2.gz RIWZJAXHTPMNEY-JMECCFTNSA-N 0 3 366.933 3.425 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001054211403 767003963 /nfs/dbraw/zinc/00/39/63/767003963.db2.gz OPAGGZIDGVPAJK-MSSDRTOGSA-N 0 3 352.906 3.035 20 30 FGEDHN CC(=O)c1ccc(C#N)c(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000302117547 257384136 /nfs/dbraw/zinc/38/41/36/257384136.db2.gz SCZBZFKJFXTLFV-CALCHBBNSA-N 0 3 369.509 3.477 20 30 FGEDHN CC(=O)c1ccc(C#N)c(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000302117552 257384145 /nfs/dbraw/zinc/38/41/45/257384145.db2.gz SCZBZFKJFXTLFV-IRXDYDNUSA-N 0 3 369.509 3.477 20 30 FGEDHN Cn1cc(CNCCNc2ncc(C(F)(F)F)cc2Cl)cc1C#N ZINC000570897897 505605712 /nfs/dbraw/zinc/60/57/12/505605712.db2.gz RANAPGZYDXZVGS-UHFFFAOYSA-N 0 3 357.767 3.166 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)N1CCc2ccccc2C1 ZINC000576909064 505621575 /nfs/dbraw/zinc/62/15/75/505621575.db2.gz UYOGVJIDTMSSNH-UHFFFAOYSA-N 0 3 362.477 3.100 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](COC)c2cccc(Cl)c2)CC1 ZINC000568130955 505623823 /nfs/dbraw/zinc/62/38/23/505623823.db2.gz HKIPXIHFDHIUQO-GOSISDBHSA-N 0 3 365.905 3.367 20 30 FGEDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000579957405 505652869 /nfs/dbraw/zinc/65/28/69/505652869.db2.gz AUVTYHAQSPZVOM-CZUORRHYSA-N 0 3 363.527 3.214 20 30 FGEDHN CN(CCCN(C)C(=O)c1ccc(Cl)c(C#N)c1)Cc1ccncc1 ZINC000579966723 505654192 /nfs/dbraw/zinc/65/41/92/505654192.db2.gz SUHGPLJHQCPFFZ-UHFFFAOYSA-N 0 3 356.857 3.201 20 30 FGEDHN CC[C@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000571132969 505661083 /nfs/dbraw/zinc/66/10/83/505661083.db2.gz PWIBOUZTBSTXDL-NRFANRHFSA-N 0 3 363.461 3.272 20 30 FGEDHN C=CCc1ccc(OCC(=O)N2CCCN(CC3CCC3)CC2)c(OC)c1 ZINC000580010867 505661172 /nfs/dbraw/zinc/66/11/72/505661172.db2.gz PFOYHCRJXMSMJC-UHFFFAOYSA-N 0 3 372.509 3.137 20 30 FGEDHN CSc1ccc(F)cc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000580063991 505672486 /nfs/dbraw/zinc/67/24/86/505672486.db2.gz FALWLYHISGWZAZ-QGZVFWFLSA-N 0 3 360.454 3.143 20 30 FGEDHN CO[C@H]1C[C@@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCC2 ZINC000574017884 505674668 /nfs/dbraw/zinc/67/46/68/505674668.db2.gz HGVUTVQBGGIZAB-SJORKVTESA-N 0 3 373.522 3.374 20 30 FGEDHN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCN(C2CCC2)C1 ZINC000577165154 505678514 /nfs/dbraw/zinc/67/85/14/505678514.db2.gz AKHTVXNOEVIOTJ-HRAATJIYSA-N 0 3 366.509 3.451 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNC[C@@H]2SCCc3ccccc32)cc1 ZINC000568381894 505680896 /nfs/dbraw/zinc/68/08/96/505680896.db2.gz DAEKZBMQTULOFV-RXVVDRJESA-N 0 3 368.502 3.113 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)N(C)C)cc1 ZINC000029754587 493855857 /nfs/dbraw/zinc/85/58/57/493855857.db2.gz SJWGQVXJWZMHAK-UZLBHIALSA-N 0 3 365.477 3.307 20 30 FGEDHN CC(C)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000049970203 493887528 /nfs/dbraw/zinc/88/75/28/493887528.db2.gz KMCFGOGQVPYCQX-UHFFFAOYSA-N 0 3 374.554 3.101 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2CCN(CC3CCCCC3)CC2)cc1Cl ZINC000049981879 493888687 /nfs/dbraw/zinc/88/86/87/493888687.db2.gz XIXAXRLCDAWOEZ-UHFFFAOYSA-N 0 3 374.916 3.348 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069071147 493915862 /nfs/dbraw/zinc/91/58/62/493915862.db2.gz VRGYFTIYXUVCKN-IBGZPJMESA-N 0 3 369.421 3.117 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)nc(C)n1 ZINC000076822384 493975470 /nfs/dbraw/zinc/97/54/70/493975470.db2.gz UATUJEKFMFAVKM-QGZVFWFLSA-N 0 3 364.449 3.359 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000076978602 494002070 /nfs/dbraw/zinc/00/20/70/494002070.db2.gz VSRWBXBRPYMTKY-KSSFIOAISA-N 0 3 365.905 3.366 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ncnc4ccc(F)cc43)CC2)cc1 ZINC000077293571 494049780 /nfs/dbraw/zinc/04/97/80/494049780.db2.gz RBRPBQUWOKSQGZ-UHFFFAOYSA-N 0 3 361.424 3.353 20 30 FGEDHN CC(C)C1CCC(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000084715706 494092638 /nfs/dbraw/zinc/09/26/38/494092638.db2.gz SVGFZRQWKRIPHZ-UHFFFAOYSA-N 0 3 368.525 3.329 20 30 FGEDHN C=CCN(CCC(=O)NC(=O)NCc1ccccc1)Cc1cccs1 ZINC000054117381 494196437 /nfs/dbraw/zinc/19/64/37/494196437.db2.gz OUOUYZDEOJGLRB-UHFFFAOYSA-N 0 3 357.479 3.152 20 30 FGEDHN C[C@@H](C1CC1)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000042123682 494203199 /nfs/dbraw/zinc/20/31/99/494203199.db2.gz ONVPGRAPTHIHLO-AWEZNQCLSA-N 0 3 364.411 3.436 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(OC)cc2OC)CC1 ZINC000088400261 494234778 /nfs/dbraw/zinc/23/47/78/494234778.db2.gz JNJPQUYHKJISDG-UHFFFAOYSA-N 0 3 351.422 3.005 20 30 FGEDHN CN(c1ccccc1)C1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000065957238 494261345 /nfs/dbraw/zinc/26/13/45/494261345.db2.gz JLFMRBIPYKASNQ-UHFFFAOYSA-N 0 3 362.477 3.488 20 30 FGEDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)[C@@H]1c1cccs1 ZINC000078338386 494282267 /nfs/dbraw/zinc/28/22/67/494282267.db2.gz LJEJZYCUWZWVHB-BLLLJJGKSA-N 0 3 357.439 3.418 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000055029965 494292173 /nfs/dbraw/zinc/29/21/73/494292173.db2.gz BZASDYGLGJPHDQ-UHFFFAOYSA-N 0 3 370.497 3.033 20 30 FGEDHN C[C@@H]1CCC[C@H](OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000078672884 494341350 /nfs/dbraw/zinc/34/13/50/494341350.db2.gz OLVADBXVPXTOBQ-XLIONFOSSA-N 0 3 357.498 3.044 20 30 FGEDHN N#CCOc1cccc(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000089695845 494344473 /nfs/dbraw/zinc/34/44/73/494344473.db2.gz GNGGEXKLNSCMMI-NRFANRHFSA-N 0 3 363.461 3.085 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCOCc2ccc(OC)cc2)CC1 ZINC000089819980 494372554 /nfs/dbraw/zinc/37/25/54/494372554.db2.gz BMFIDEJTVKURLU-UHFFFAOYSA-N 0 3 360.498 3.149 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1scnc1C)C(C)C ZINC000066699945 494389296 /nfs/dbraw/zinc/38/92/96/494389296.db2.gz IWNRBRYJORDZRD-MRXNPFEDSA-N 0 3 350.532 3.292 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)c1ccc(C#N)cc1 ZINC000045794111 494462769 /nfs/dbraw/zinc/46/27/69/494462769.db2.gz JKNZDZBUAWDTJY-INIZCTEOSA-N 0 3 366.465 3.059 20 30 FGEDHN CCN(CCC(=O)Nc1sccc1C#N)Cc1ccc(OC)c(OC)c1 ZINC000022971697 494544773 /nfs/dbraw/zinc/54/47/73/494544773.db2.gz NLTPRTXTSKQTDI-UHFFFAOYSA-N 0 3 373.478 3.488 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccccc3OC)C2)CC1 ZINC000125973108 494591719 /nfs/dbraw/zinc/59/17/19/494591719.db2.gz YWBQSRQUGYHWCG-QGZVFWFLSA-N 0 3 357.498 3.235 20 30 FGEDHN COc1ccccc1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011421 494616681 /nfs/dbraw/zinc/61/66/81/494616681.db2.gz YWTZPEFHHCBVTL-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccccc1 ZINC000047010570 494617430 /nfs/dbraw/zinc/61/74/30/494617430.db2.gz ZRZURXCBUSCWOB-UHFFFAOYSA-N 0 3 353.491 3.241 20 30 FGEDHN N#C[C@@H]1CN(C(=O)Nc2ccc(SCCN3CCCCC3)cc2)CCO1 ZINC000580324108 505732942 /nfs/dbraw/zinc/73/29/42/505732942.db2.gz ZXDURFVVTUWOSS-QGZVFWFLSA-N 0 3 374.510 3.021 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000080230865 494644919 /nfs/dbraw/zinc/64/49/19/494644919.db2.gz BBXJHCQVTLRORS-PXNSSMCTSA-N 0 3 364.493 3.462 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2cccc(OCCCC#N)c2)C[C@@H](C)O1 ZINC000092506598 494649416 /nfs/dbraw/zinc/64/94/16/494649416.db2.gz GTFVOWOOMAYNCH-SBHAEUEKSA-N 0 3 371.525 3.443 20 30 FGEDHN COc1cc(C)c(CN(C)CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000024804526 494665207 /nfs/dbraw/zinc/66/52/07/494665207.db2.gz GBSWRKOBOOIHKD-UHFFFAOYSA-N 0 3 367.449 3.345 20 30 FGEDHN N#CCSCCCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000074982194 494671031 /nfs/dbraw/zinc/67/10/31/494671031.db2.gz JMOXXOJZCUBEDM-UHFFFAOYSA-N 0 3 351.903 3.135 20 30 FGEDHN CCCNc1ccc(C#N)cc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000131625847 494679595 /nfs/dbraw/zinc/67/95/95/494679595.db2.gz OKRSHYLRVVXACG-UHFFFAOYSA-N 0 3 370.497 3.354 20 30 FGEDHN CCc1nn(C)c(CC)c1CN1CCCN(c2ccccc2C#N)CC1 ZINC000091792636 494683004 /nfs/dbraw/zinc/68/30/04/494683004.db2.gz BEEJEUSYZODIDY-UHFFFAOYSA-N 0 3 351.498 3.129 20 30 FGEDHN CCOC(=O)c1ccc(N2CCCN(CC(C)(C)CCC#N)CC2)nc1 ZINC000092644124 494691665 /nfs/dbraw/zinc/69/16/65/494691665.db2.gz OFSBKYYXNISGDP-UHFFFAOYSA-N 0 3 358.486 3.100 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000092662205 494703536 /nfs/dbraw/zinc/70/35/36/494703536.db2.gz BGEZLALDPRDJHP-OAQYLSRUSA-N 0 3 357.498 3.196 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc1OC ZINC000092706313 494718324 /nfs/dbraw/zinc/71/83/24/494718324.db2.gz NSTHGUWILPMNFL-SFHVURJKSA-N 0 3 360.498 3.244 20 30 FGEDHN Cc1cc(N2CCC(N(C)Cc3ccc(F)c(C#N)c3)CC2)nc(C)n1 ZINC000121361926 494721137 /nfs/dbraw/zinc/72/11/37/494721137.db2.gz OJJHJTFCGTVEHJ-UHFFFAOYSA-N 0 3 353.445 3.205 20 30 FGEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccc(C#N)cn1 ZINC000574287670 505738848 /nfs/dbraw/zinc/73/88/48/505738848.db2.gz INPZJAOXKHUGQI-UHFFFAOYSA-N 0 3 350.344 3.314 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3ccn(CCOC)c3c2)CC1 ZINC000092841382 494772121 /nfs/dbraw/zinc/77/21/21/494772121.db2.gz LJXBMKZNJKJZNQ-UHFFFAOYSA-N 0 3 370.497 3.450 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000075633857 494806104 /nfs/dbraw/zinc/80/61/04/494806104.db2.gz GPAOAHIVFXWNOA-QGZVFWFLSA-N 0 3 372.488 3.021 20 30 FGEDHN Cc1occc1C(=O)NC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000093010090 494806720 /nfs/dbraw/zinc/80/67/20/494806720.db2.gz VPKQOKSHVZHBIS-OAHLLOKOSA-N 0 3 367.449 3.273 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)N(C)C)cc1 ZINC000027596252 494875332 /nfs/dbraw/zinc/87/53/32/494875332.db2.gz HRNXGDLMHQRXJG-KKSFZXQISA-N 0 3 365.477 3.307 20 30 FGEDHN CNC(=O)[C@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000093361113 494877718 /nfs/dbraw/zinc/87/77/18/494877718.db2.gz MLZXXUWCQDQWHA-FQEVSTJZSA-N 0 3 363.461 3.095 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534222 494898431 /nfs/dbraw/zinc/89/84/31/494898431.db2.gz QTSCUYHWXUKSJS-MRXNPFEDSA-N 0 3 354.410 3.241 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000127546404 494960209 /nfs/dbraw/zinc/96/02/09/494960209.db2.gz DAEDKBXFJRFURG-FQEVSTJZSA-N 0 3 367.405 3.043 20 30 FGEDHN C=CCCOCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000122656837 495010505 /nfs/dbraw/zinc/01/05/05/495010505.db2.gz LHOGVVXVINOZSH-AZUAARDMSA-N 0 3 359.514 3.274 20 30 FGEDHN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CCCN(C)C1 ZINC000118842704 495046654 /nfs/dbraw/zinc/04/66/54/495046654.db2.gz PTUNWQBJZFBLRO-QGZVFWFLSA-N 0 3 352.482 3.011 20 30 FGEDHN N#CC1CCC(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000568714786 505759068 /nfs/dbraw/zinc/75/90/68/505759068.db2.gz SILYMKGMZRQRKI-QLOJAFMTSA-N 0 3 354.498 3.453 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)C(C)C ZINC000101684403 495091401 /nfs/dbraw/zinc/09/14/01/495091401.db2.gz NODJXSNTQXUVJM-QGZVFWFLSA-N 0 3 373.522 3.159 20 30 FGEDHN N#Cc1cccc(CNC(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000112212942 495155010 /nfs/dbraw/zinc/15/50/10/495155010.db2.gz UEZJSXJXCMMNFP-UHFFFAOYSA-N 0 3 372.538 3.109 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2C)C(C)C ZINC000134607726 495174947 /nfs/dbraw/zinc/17/49/47/495174947.db2.gz KMXZKASZDKUXAP-HXUWFJFHSA-N 0 3 369.509 3.024 20 30 FGEDHN COCC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000112354523 495178782 /nfs/dbraw/zinc/17/87/82/495178782.db2.gz SAKDUHHAUWFJHI-UHFFFAOYSA-N 0 3 361.511 3.186 20 30 FGEDHN CN(C)c1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c2ccccc2n1 ZINC000123849500 495196629 /nfs/dbraw/zinc/19/66/29/495196629.db2.gz NQKMERCUIGADHZ-INIZCTEOSA-N 0 3 374.448 3.109 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2O[C@@H]2CCOC2)CC1 ZINC000119678469 495215917 /nfs/dbraw/zinc/21/59/17/495215917.db2.gz NGLXWGHXSJIVMB-QGZVFWFLSA-N 0 3 359.470 3.016 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc(-c2ncccn2)s1)C(C)C ZINC000112919779 495257518 /nfs/dbraw/zinc/25/75/18/495257518.db2.gz GSVNCKZPYPTYLO-HNNXBMFYSA-N 0 3 371.510 3.029 20 30 FGEDHN CCOc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000113028416 495269144 /nfs/dbraw/zinc/26/91/44/495269144.db2.gz KLVTYWZOKWMYIB-UHFFFAOYSA-N 0 3 365.477 3.469 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2COc2ccccc2)cc1 ZINC000113508687 495307873 /nfs/dbraw/zinc/30/78/73/495307873.db2.gz SJOXFMXMGNIFBI-PMACEKPBSA-N 0 3 366.461 3.036 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120230762 495332737 /nfs/dbraw/zinc/33/27/37/495332737.db2.gz FKUUVKCUJNTLDN-UHFFFAOYSA-N 0 3 374.485 3.257 20 30 FGEDHN Cc1c(C#N)c(NCc2ccccc2CN2CC[C@H](O)C2)nc2ccccc12 ZINC000580516726 505776448 /nfs/dbraw/zinc/77/64/48/505776448.db2.gz CUKJILIXHYTSCH-IBGZPJMESA-N 0 3 372.472 3.016 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(Cc3ccccc3)c2C)CC1 ZINC000106036341 495406127 /nfs/dbraw/zinc/40/61/27/495406127.db2.gz HIGOGFZWZSWJIF-UHFFFAOYSA-N 0 3 352.482 3.010 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc3c2cnn3C(C)C)CC1 ZINC000106037669 495406209 /nfs/dbraw/zinc/40/62/09/495406209.db2.gz HGHCUUBZBVESIM-UHFFFAOYSA-N 0 3 355.486 3.091 20 30 FGEDHN COc1cccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1[O-] ZINC000125402816 495438963 /nfs/dbraw/zinc/43/89/63/495438963.db2.gz AIIICNDUPGQEJF-UHFFFAOYSA-N 0 3 353.422 3.147 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000106275000 495441970 /nfs/dbraw/zinc/44/19/70/495441970.db2.gz SRMFGQJQAMQVBB-GOSISDBHSA-N 0 3 371.481 3.302 20 30 FGEDHN N#CC(C(=O)c1cccc(Oc2cnccn2)c1)c1nnc2n1CCCCC2 ZINC000131065365 495487249 /nfs/dbraw/zinc/48/72/49/495487249.db2.gz FTCBAGUHVKXCMJ-MRXNPFEDSA-N 0 3 374.404 3.077 20 30 FGEDHN N#CCCN(C(=O)CN1CCN(C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000131252017 495512836 /nfs/dbraw/zinc/51/28/36/495512836.db2.gz ZAVCUHHHGYSZTA-UHFFFAOYSA-N 0 3 374.916 3.147 20 30 FGEDHN COc1ccc(CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC(C)(C)C)cc1 ZINC000115550130 495515876 /nfs/dbraw/zinc/51/58/76/495515876.db2.gz HMRLHNLJHUHSTH-JOCHJYFZSA-N 0 3 371.525 3.394 20 30 FGEDHN COc1ccc(CN[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1C#N ZINC000185357665 495546053 /nfs/dbraw/zinc/54/60/53/495546053.db2.gz PDXXLGTVLPHPAL-FQEVSTJZSA-N 0 3 367.424 3.289 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1OC ZINC000179345065 495552129 /nfs/dbraw/zinc/55/21/29/495552129.db2.gz LJXVZVIVDANNMM-LJQANCHMSA-N 0 3 372.509 3.388 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)CC1 ZINC000173579208 495597325 /nfs/dbraw/zinc/59/73/25/495597325.db2.gz OPTLVMVRNKMYNL-UHFFFAOYSA-N 0 3 361.461 3.191 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCN1C ZINC000173652155 495634870 /nfs/dbraw/zinc/63/48/70/495634870.db2.gz AWKHQTFBTCFNCT-YOEHRIQHSA-N 0 3 367.415 3.181 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H](C)[C@@H]2COc3ccccc32)c(C#N)c1C ZINC000185634968 495655388 /nfs/dbraw/zinc/65/53/88/495655388.db2.gz AACWJAWFKJEYQA-WBMJQRKESA-N 0 3 355.463 3.329 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159115525 495662522 /nfs/dbraw/zinc/66/25/22/495662522.db2.gz UKDGUNHRKBLGRO-UPJWGTAASA-N 0 3 371.403 3.187 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176619919 495723634 /nfs/dbraw/zinc/72/36/34/495723634.db2.gz ODNDEWMVPNUCJR-UHFFFAOYSA-N 0 3 365.543 3.335 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624647 495724714 /nfs/dbraw/zinc/72/47/14/495724714.db2.gz AMUJXWOAUKUINR-ZDUSSCGKSA-N 0 3 362.948 3.061 20 30 FGEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171151339 495744598 /nfs/dbraw/zinc/74/45/98/495744598.db2.gz JCHIDDAMNCBXAF-SFHVURJKSA-N 0 3 367.497 3.409 20 30 FGEDHN CC#CCCCC(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000185849477 495748742 /nfs/dbraw/zinc/74/87/42/495748742.db2.gz ONTFLNWYGKJEMP-UHFFFAOYSA-N 0 3 356.470 3.034 20 30 FGEDHN C=CCC[C@@H](NC(=O)N[C@H](C)CCN1CCN(C)CC1)c1ccccc1 ZINC000185879856 495762257 /nfs/dbraw/zinc/76/22/57/495762257.db2.gz YTYHZPGTHGUINK-UYAOXDASSA-N 0 3 358.530 3.019 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000179874095 495766634 /nfs/dbraw/zinc/76/66/34/495766634.db2.gz BILBGLSARCCNBS-OAQYLSRUSA-N 0 3 372.472 3.381 20 30 FGEDHN CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccc(S(N)(=O)=O)c1 ZINC000183017217 495800885 /nfs/dbraw/zinc/80/08/85/495800885.db2.gz BOPPMIRFZNGYAW-LJQANCHMSA-N 0 3 371.506 3.376 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1-n1cccn1 ZINC000183143427 495853053 /nfs/dbraw/zinc/85/30/53/495853053.db2.gz IQGHTCMNBAFNIL-AWEZNQCLSA-N 0 3 365.462 3.485 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000183147272 495854426 /nfs/dbraw/zinc/85/44/26/495854426.db2.gz UFVRCPAKWLPNLG-INIZCTEOSA-N 0 3 365.481 3.174 20 30 FGEDHN CN1CC[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000180101405 495858428 /nfs/dbraw/zinc/85/84/28/495858428.db2.gz XJTQSJPIOXMQOF-JUCHWSRGSA-N 0 3 361.445 3.164 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000177138664 495944668 /nfs/dbraw/zinc/94/46/68/495944668.db2.gz HKXDFCOWOJAXFG-SFHVURJKSA-N 0 3 369.490 3.282 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-][C@H]2CCCC[C@H]2C)c1 ZINC000151927264 495994701 /nfs/dbraw/zinc/99/47/01/495994701.db2.gz DTXYPTVBCNXUQN-WBVHZDCISA-O 0 3 371.530 3.123 20 30 FGEDHN CC[C@@H](C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000151932986 495995953 /nfs/dbraw/zinc/99/59/53/495995953.db2.gz SNBJZNYTXZQDFL-CQSZACIVSA-O 0 3 373.546 3.332 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cc(F)ccc2Br)CC1 ZINC000171720377 496005871 /nfs/dbraw/zinc/00/58/71/496005871.db2.gz JSHPJHGVWSKCJD-UHFFFAOYSA-N 0 3 370.266 3.038 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC000171720766 496006199 /nfs/dbraw/zinc/00/61/99/496006199.db2.gz BKKKEAGEDTWRQS-UHFFFAOYSA-N 0 3 357.429 3.180 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000171725265 496008739 /nfs/dbraw/zinc/00/87/39/496008739.db2.gz SMCABMJBOIBVAB-UYAOXDASSA-N 0 3 357.498 3.104 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000171725250 496008924 /nfs/dbraw/zinc/00/89/24/496008924.db2.gz GEMLYEVOSCUKOY-UHFFFAOYSA-N 0 3 357.679 3.483 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)CCCOc2ccc(Cl)cc2)CC1 ZINC000171739054 496014734 /nfs/dbraw/zinc/01/47/34/496014734.db2.gz XTJNIZFHDCPVGT-UHFFFAOYSA-N 0 3 365.905 3.401 20 30 FGEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-n2cccn2)c1 ZINC000183580615 496038170 /nfs/dbraw/zinc/03/81/70/496038170.db2.gz VLRUNTOMQWMYDJ-KRWDZBQOSA-N 0 3 365.481 3.208 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1ccccc1C#N ZINC000160801086 496044633 /nfs/dbraw/zinc/04/46/33/496044633.db2.gz NDNDWPZCVPAWCR-HOTGVXAUSA-N 0 3 359.433 3.422 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cs1 ZINC000177433682 496060764 /nfs/dbraw/zinc/06/07/64/496060764.db2.gz BKKLSPXHXAEETG-KRWDZBQOSA-N 0 3 354.479 3.141 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)CNc2cccc(C#N)c2)CC1 ZINC000160923710 496067917 /nfs/dbraw/zinc/06/79/17/496067917.db2.gz ADHYJZOKZSYSRO-KRWDZBQOSA-N 0 3 362.477 3.312 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(CN(C)C)c1 ZINC000156003211 496131185 /nfs/dbraw/zinc/13/11/85/496131185.db2.gz KMXMGKLAJSFTSC-UHFFFAOYSA-N 0 3 353.422 3.485 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000172029956 496135279 /nfs/dbraw/zinc/13/52/79/496135279.db2.gz CLGQPPAEOXCWPR-UHFFFAOYSA-N 0 3 367.497 3.102 20 30 FGEDHN C[C@@](C#N)(NC(=O)CN(CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000152549120 496185255 /nfs/dbraw/zinc/18/52/55/496185255.db2.gz RDQCGBXFPJISOT-NRFANRHFSA-N 0 3 357.473 3.421 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCSC[C@H]2c2ccc(C)cc2)CC1 ZINC000172185582 496199850 /nfs/dbraw/zinc/19/98/50/496199850.db2.gz DBCGOHCAQYIWFI-IBGZPJMESA-N 0 3 359.539 3.445 20 30 FGEDHN C=CCC[C@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccccc1 ZINC000156461392 496250936 /nfs/dbraw/zinc/25/09/36/496250936.db2.gz NJJIYWLDZXHZBZ-FQEVSTJZSA-N 0 3 358.530 3.021 20 30 FGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCCC[C@@H]1O ZINC000181093679 496268203 /nfs/dbraw/zinc/26/82/03/496268203.db2.gz FUPPCICZHNJHOE-QUCCMNQESA-N 0 3 352.482 3.447 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000181205801 496311985 /nfs/dbraw/zinc/31/19/85/496311985.db2.gz ZINBXLDREALYHB-QFBILLFUSA-N 0 3 367.449 3.464 20 30 FGEDHN CCCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000181270257 496334071 /nfs/dbraw/zinc/33/40/71/496334071.db2.gz VQCRTDRLNFGFAU-FQEVSTJZSA-N 0 3 350.466 3.403 20 30 FGEDHN CN(C)[C@H](CNC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181399009 496378071 /nfs/dbraw/zinc/37/80/71/496378071.db2.gz BVAOBZMMWJIYSD-HXUWFJFHSA-N 0 3 352.482 3.008 20 30 FGEDHN C[C@@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(C#N)c1 ZINC000181402621 496380075 /nfs/dbraw/zinc/38/00/75/496380075.db2.gz RWGODJNZRYNOAK-IERDGZPVSA-N 0 3 353.441 3.421 20 30 FGEDHN C[C@H](NCc1ccccc1CN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181415491 496386038 /nfs/dbraw/zinc/38/60/38/496386038.db2.gz UAQBFDOFSURAFD-SFHVURJKSA-N 0 3 365.477 3.272 20 30 FGEDHN N#Cc1cnn2cc(CN(Cc3ccccc3)CC3CCOCC3)cnc12 ZINC000578013871 505841338 /nfs/dbraw/zinc/84/13/38/505841338.db2.gz COEVAUBDKJIFJG-UHFFFAOYSA-N 0 3 361.449 3.030 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000157091079 496403109 /nfs/dbraw/zinc/40/31/09/496403109.db2.gz SRUAQCZJWNEEHT-UHFFFAOYSA-N 0 3 366.852 3.287 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000187352964 496406132 /nfs/dbraw/zinc/40/61/32/496406132.db2.gz VLKUVTCIDCJIIT-UHFFFAOYSA-N 0 3 353.235 3.180 20 30 FGEDHN C[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181543345 496439545 /nfs/dbraw/zinc/43/95/45/496439545.db2.gz MHGLJSSXSITRSW-KRWDZBQOSA-N 0 3 372.490 3.245 20 30 FGEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000178418967 496449268 /nfs/dbraw/zinc/44/92/68/496449268.db2.gz LQUZPFLFVCIKTM-UHFFFAOYSA-N 0 3 355.482 3.193 20 30 FGEDHN C[C@H](NCc1ccccc1OCCN(C)C)c1ccc(OCC#N)cc1 ZINC000181626959 496476851 /nfs/dbraw/zinc/47/68/51/496476851.db2.gz DYFFUKFFBMHSRC-KRWDZBQOSA-N 0 3 353.466 3.380 20 30 FGEDHN C[C@@H](NCCNC(=O)c1ccccc1Cl)c1ccc(OCC#N)cc1 ZINC000181747130 496526771 /nfs/dbraw/zinc/52/67/71/496526771.db2.gz PMDJHGNZYFXZMI-CQSZACIVSA-N 0 3 357.841 3.323 20 30 FGEDHN C[C@]1(CNC(=O)NCc2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000153776828 496575864 /nfs/dbraw/zinc/57/58/64/496575864.db2.gz QJYLAVYQSCVKQW-JOCHJYFZSA-N 0 3 362.477 3.412 20 30 FGEDHN COc1cc(NCCN[C@@H](C)c2ccc(OCC#N)cc2)cc(OC)c1 ZINC000182056342 496652297 /nfs/dbraw/zinc/65/22/97/496652297.db2.gz LIBCIOSRXMMSTL-HNNXBMFYSA-N 0 3 355.438 3.369 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1 ZINC000167033560 496697307 /nfs/dbraw/zinc/69/73/07/496697307.db2.gz ZUFOUCNNYMXDBR-IYBDPMFKSA-N 0 3 372.469 3.182 20 30 FGEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000182193832 496702750 /nfs/dbraw/zinc/70/27/50/496702750.db2.gz IQXDVAUPGGTOSQ-HNNXBMFYSA-N 0 3 358.463 3.081 20 30 FGEDHN COc1ccc(C[C@@H](C)CN2CCN(c3ncccc3C#N)CC2)cc1F ZINC000185236572 496714028 /nfs/dbraw/zinc/71/40/28/496714028.db2.gz MDRFLYYSZJCFHT-MRXNPFEDSA-N 0 3 368.456 3.102 20 30 FGEDHN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000182354686 496731137 /nfs/dbraw/zinc/73/11/37/496731137.db2.gz XMOVGYOVROSMBG-YSIASYRMSA-N 0 3 357.498 3.486 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000188325464 496753629 /nfs/dbraw/zinc/75/36/29/496753629.db2.gz VXICBZSNVWKKLB-NRFANRHFSA-N 0 3 359.514 3.384 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC000273283582 496763005 /nfs/dbraw/zinc/76/30/05/496763005.db2.gz HHXXKLWYBVJUMZ-YTQUADARSA-N 0 3 371.481 3.324 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(Br)ccc2OCC)CC1 ZINC000263971950 496776631 /nfs/dbraw/zinc/77/66/31/496776631.db2.gz XJXUOZGQBYVCAK-UHFFFAOYSA-N 0 3 365.271 3.132 20 30 FGEDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191478176 496777126 /nfs/dbraw/zinc/77/71/26/496777126.db2.gz DJTCMWAPKSHALR-INIZCTEOSA-N 0 3 353.470 3.056 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194974091 496778509 /nfs/dbraw/zinc/77/85/09/496778509.db2.gz NAYKYMLJLWHJEZ-LSDHHAIUSA-N 0 3 357.479 3.220 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(OCCCC#N)c2)[C@@]12CCCO2 ZINC000273599764 496850086 /nfs/dbraw/zinc/85/00/86/496850086.db2.gz LNFYZTIRWPSFOC-HBMCJLEFSA-N 0 3 374.481 3.194 20 30 FGEDHN C=CCSCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000247495849 496873144 /nfs/dbraw/zinc/87/31/44/496873144.db2.gz WOOVLTNQTFXEAT-HOCLYGCPSA-N 0 3 353.557 3.349 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2csc(C(C)C)n2)CC1 ZINC000264375366 496885053 /nfs/dbraw/zinc/88/50/53/496885053.db2.gz JXJRUHMYQQJOPA-UHFFFAOYSA-N 0 3 350.532 3.149 20 30 FGEDHN COc1ccc(CN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C2CC2)cc1 ZINC000248527250 497031515 /nfs/dbraw/zinc/03/15/15/497031515.db2.gz DBPBWCDPJONWSM-IIBYNOLFSA-N 0 3 357.498 3.350 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000269980819 497036395 /nfs/dbraw/zinc/03/63/95/497036395.db2.gz RADYECXWUMXHQM-NBYUQASBSA-N 0 3 367.493 3.259 20 30 FGEDHN C=C(C)[C@H](CC(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21)OCC ZINC000270015790 497041676 /nfs/dbraw/zinc/04/16/76/497041676.db2.gz HEUGJMSIJQVGEM-ICSRJNTNSA-N 0 3 372.509 3.462 20 30 FGEDHN C=C(C)[C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)OCC ZINC000270047382 497046851 /nfs/dbraw/zinc/04/68/51/497046851.db2.gz LLZQLYCADWMHNI-SFHVURJKSA-N 0 3 350.528 3.448 20 30 FGEDHN COc1ccccc1S(=O)(=O)CCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000274280729 497059733 /nfs/dbraw/zinc/05/97/33/497059733.db2.gz DDCNOFMGBSJEFK-HNNXBMFYSA-N 0 3 358.463 3.081 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000569223273 505882555 /nfs/dbraw/zinc/88/25/55/505882555.db2.gz WEQBSSXMRJLZIM-SJCJKPOMSA-N 0 3 355.829 3.120 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(C#N)c2C)c1 ZINC000192343391 497080164 /nfs/dbraw/zinc/08/01/64/497080164.db2.gz MEGJMZHIRFSGHQ-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000248885386 497126058 /nfs/dbraw/zinc/12/60/58/497126058.db2.gz LZSIXFCGHCMUOS-NFAWXSAZSA-N 0 3 351.372 3.483 20 30 FGEDHN C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2)C[C@@H](C)O1 ZINC000249042245 497153439 /nfs/dbraw/zinc/15/34/39/497153439.db2.gz VBGQJLULDBUEMK-QQTQMKHKSA-N 0 3 355.482 3.108 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(N3CCN(CC(C)(C)O)[C@@H](C)C3)c2c1 ZINC000249081816 497161635 /nfs/dbraw/zinc/16/16/35/497161635.db2.gz QSDIFZZHFRTTIC-INIZCTEOSA-N 0 3 352.482 3.005 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278741934 497205410 /nfs/dbraw/zinc/20/54/10/497205410.db2.gz AHEJAHWVUBIWID-KRWDZBQOSA-N 0 3 358.530 3.212 20 30 FGEDHN N#CCCn1cc(CNCCSC(F)(F)F)c(-c2ccncc2)n1 ZINC000278755040 497210445 /nfs/dbraw/zinc/21/04/45/497210445.db2.gz WQJDXZXOLPCNLX-UHFFFAOYSA-N 0 3 355.389 3.201 20 30 FGEDHN CC[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000278771300 497215061 /nfs/dbraw/zinc/21/50/61/497215061.db2.gz PGSJNKAEPGXPSD-OAQYLSRUSA-N 0 3 364.493 3.091 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000249816894 497250677 /nfs/dbraw/zinc/25/06/77/497250677.db2.gz CIOBWJMXENGUQX-ZWKOTPCHSA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000249828540 497251305 /nfs/dbraw/zinc/25/13/05/497251305.db2.gz MAVCYNKVHKVLQV-IEBWSBKVSA-N 0 3 372.490 3.041 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000278928004 497270488 /nfs/dbraw/zinc/27/04/88/497270488.db2.gz VWGXFOZZOAIBBH-KRWDZBQOSA-N 0 3 373.497 3.359 20 30 FGEDHN CCN1CC[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C1 ZINC000278940444 497275089 /nfs/dbraw/zinc/27/50/89/497275089.db2.gz CXDVFYICJVMOOI-KBXCAEBGSA-N 0 3 352.438 3.016 20 30 FGEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccccc1C(C)(C)C#N ZINC000275318842 497287096 /nfs/dbraw/zinc/28/70/96/497287096.db2.gz OTLKUFZPSBKTPE-ICSRJNTNSA-N 0 3 352.482 3.458 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266409101 497331731 /nfs/dbraw/zinc/33/17/31/497331731.db2.gz QHHJFTFSGTUSRG-UHFFFAOYSA-N 0 3 360.414 3.004 20 30 FGEDHN Cc1ccc([C@@H](O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000266632762 497386167 /nfs/dbraw/zinc/38/61/67/497386167.db2.gz VMJGRIPHADWJEO-NRFANRHFSA-N 0 3 363.461 3.251 20 30 FGEDHN CC[C@]1(CO)CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000190226133 497406694 /nfs/dbraw/zinc/40/66/94/497406694.db2.gz JUXHHFGIMFWEOD-NRFANRHFSA-N 0 3 352.482 3.448 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCOCc2ccccc2)cc1 ZINC000279335614 497410049 /nfs/dbraw/zinc/41/00/49/497410049.db2.gz PDUUVYMJLBXSAL-NRFANRHFSA-N 0 3 361.445 3.354 20 30 FGEDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2cccc(OCCCC#N)c2)C[C@@H](C)O1 ZINC000245554192 497453555 /nfs/dbraw/zinc/45/35/55/497453555.db2.gz GTFVOWOOMAYNCH-SFHLNBCPSA-N 0 3 371.525 3.443 20 30 FGEDHN COc1cccc(CN(C)Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000279499168 497455414 /nfs/dbraw/zinc/45/54/14/497455414.db2.gz ZATKQDHQTSBSEP-UHFFFAOYSA-N 0 3 361.449 3.499 20 30 FGEDHN CN(Cc1ccccn1)[C@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000275890354 497456721 /nfs/dbraw/zinc/45/67/21/497456721.db2.gz HRSFVYVVHCBNCV-NEQMZLFVSA-N 0 3 374.488 3.480 20 30 FGEDHN Cc1ccc([C@@H](CCn2cncn2)NCc2ccc(OCC#N)cc2)cc1 ZINC000275926918 497464980 /nfs/dbraw/zinc/46/49/80/497464980.db2.gz WZPPJTXGVQIHPF-OAQYLSRUSA-N 0 3 361.449 3.410 20 30 FGEDHN CS(=O)(=O)c1ccc(OCCCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000271839810 497466636 /nfs/dbraw/zinc/46/66/36/497466636.db2.gz VUDXQFVHBZSJEV-UHFFFAOYSA-N 0 3 370.474 3.010 20 30 FGEDHN C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271902040 497484038 /nfs/dbraw/zinc/48/40/38/497484038.db2.gz AWXICFAIOOLLQY-KDOFPFPSSA-N 0 3 359.470 3.483 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245702381 497507547 /nfs/dbraw/zinc/50/75/47/497507547.db2.gz ZQHDOKJVEXLYCS-TZIWHRDSSA-N 0 3 365.477 3.496 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)N(C)c1ccc(F)cc1 ZINC000190578474 497534273 /nfs/dbraw/zinc/53/42/73/497534273.db2.gz GQNTZXBIAPJFKB-UHFFFAOYSA-N 0 3 354.429 3.317 20 30 FGEDHN CC(C)C(=O)Nc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279770624 497535820 /nfs/dbraw/zinc/53/58/20/497535820.db2.gz SROQKEHYDVGVTA-IBGZPJMESA-N 0 3 374.444 3.151 20 30 FGEDHN C[C@H](CCc1ccc(F)cc1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190628118 497551556 /nfs/dbraw/zinc/55/15/56/497551556.db2.gz FYEWLAAWVBVJQY-IERDGZPVSA-N 0 3 365.452 3.409 20 30 FGEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000194067480 497563348 /nfs/dbraw/zinc/56/33/48/497563348.db2.gz AXTNWOUJHCIEAO-INIZCTEOSA-N 0 3 374.506 3.353 20 30 FGEDHN Cc1cc(C(=O)C(C(=S)[N-]C[C@H]2CCCO2)[n+]2ccccc2)ccc1F ZINC000267483773 497565693 /nfs/dbraw/zinc/56/56/93/497565693.db2.gz UUJVADXTJXSEOD-MRXNPFEDSA-O 0 3 373.473 3.129 20 30 FGEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000581129053 505916723 /nfs/dbraw/zinc/91/67/23/505916723.db2.gz KFUSMTAJHJUVPU-IAGOWNOFSA-N 0 3 367.497 3.344 20 30 FGEDHN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279986304 497610741 /nfs/dbraw/zinc/61/07/41/497610741.db2.gz KBPCSPIHFLTNPL-UXHICEINSA-N 0 3 373.456 3.485 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000272552833 497660727 /nfs/dbraw/zinc/66/07/27/497660727.db2.gz MKPMZPYHOQVVIE-GOSISDBHSA-N 0 3 357.498 3.137 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272666134 497695221 /nfs/dbraw/zinc/69/52/21/497695221.db2.gz IZJCTPSQBIUIEP-FUHWJXTLSA-N 0 3 364.449 3.373 20 30 FGEDHN CC[C@@H](C)Oc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccn1 ZINC000280361593 497730584 /nfs/dbraw/zinc/73/05/84/497730584.db2.gz RTZAZJJVVHRZKO-DNVCBOLYSA-N 0 3 362.433 3.129 20 30 FGEDHN CC[C@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000272808583 497735954 /nfs/dbraw/zinc/73/59/54/497735954.db2.gz VCEPDWZWPTYMPQ-XLIONFOSSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@@H](NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C1=CCN(C)CC1 ZINC000272892182 497754481 /nfs/dbraw/zinc/75/44/81/497754481.db2.gz ZLAHJDKMMYAZJL-CQSZACIVSA-N 0 3 365.399 3.007 20 30 FGEDHN C=CCCCCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000575136176 505929219 /nfs/dbraw/zinc/92/92/19/505929219.db2.gz WNYPQAXWCZZEQV-UHFFFAOYSA-N 0 3 357.498 3.474 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246644013 497793771 /nfs/dbraw/zinc/79/37/71/497793771.db2.gz UQLPTWPQKPGDFR-UWVAXJGDSA-N 0 3 363.461 3.105 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](CC3CC3)C2)cc1 ZINC000569429482 505932165 /nfs/dbraw/zinc/93/21/65/505932165.db2.gz CXZKFZXSDSJUGG-HIFRSBDPSA-N 0 3 361.467 3.026 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Nc3ccccc3C)CC2)CC1 ZINC000364190992 497832846 /nfs/dbraw/zinc/83/28/46/497832846.db2.gz NXQORRXNUAZAIN-UHFFFAOYSA-N 0 3 356.514 3.231 20 30 FGEDHN O=C(NC1CCN(C2CC2)CC1)c1cc(N2CCNC2=O)ccc1Cl ZINC000329631522 497851356 /nfs/dbraw/zinc/85/13/56/497851356.db2.gz VZFSWNVXXMPUTH-UHFFFAOYSA-N 0 3 362.861 3.005 20 30 FGEDHN C[C@@H]1N(CC(=O)NCCO[C@H]2CCCC[C@H]2C)CCC12CCOCC2 ZINC000329697977 497873825 /nfs/dbraw/zinc/87/38/25/497873825.db2.gz YQKABXCSNWPFGB-SQNIBIBYSA-N 0 3 352.519 3.429 20 30 FGEDHN CC[C@H](C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 ZINC000578449018 505942124 /nfs/dbraw/zinc/94/21/24/505942124.db2.gz YGZSOXQLYYVCLX-HNNXBMFYSA-N 0 3 350.470 3.072 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(C#N)c1C ZINC000296095627 497919990 /nfs/dbraw/zinc/91/99/90/497919990.db2.gz UGPTUZUXPJZRAD-JFOHDYCDSA-N 0 3 357.454 3.032 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@H]1c1cccs1 ZINC000329877148 497937318 /nfs/dbraw/zinc/93/73/18/497937318.db2.gz IWBKGCNQIFVBGJ-DYVFJYSZSA-N 0 3 360.483 3.115 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccncc3)c2C(F)F)CN1C1CC1 ZINC000329891866 497941904 /nfs/dbraw/zinc/94/19/04/497941904.db2.gz IMCXVTKZZVRYEP-VXGBXAGGSA-N 0 3 361.396 3.135 20 30 FGEDHN C[C@]1(O)CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000329911642 497949708 /nfs/dbraw/zinc/94/97/08/497949708.db2.gz NXUOMGIROQNUHI-FPOVZHCZSA-N 0 3 359.514 3.192 20 30 FGEDHN C[C@]1(O)CCCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000329911641 497949849 /nfs/dbraw/zinc/94/98/49/497949849.db2.gz NXUOMGIROQNUHI-CTNGQTDRSA-N 0 3 359.514 3.192 20 30 FGEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000578499580 505955562 /nfs/dbraw/zinc/95/55/62/505955562.db2.gz RQTMCZKBYCDOKG-DOTOQJQBSA-N 0 3 350.388 3.313 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000301173173 497984495 /nfs/dbraw/zinc/98/44/95/497984495.db2.gz KRVFDYKVICXIGC-UHFFFAOYSA-N 0 3 360.458 3.185 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000330080954 498013466 /nfs/dbraw/zinc/01/34/66/498013466.db2.gz GQBHLAOEHPEUCR-QZTJIDSGSA-N 0 3 361.534 3.089 20 30 FGEDHN CC(C(=O)N[C@H]1CCCc2ccc(F)cc21)S(=O)(=O)C1CCOCC1 ZINC000330081128 498013810 /nfs/dbraw/zinc/01/38/10/498013810.db2.gz JVCCDNYSQSVAGR-SJCJKPOMSA-N 0 3 369.458 3.142 20 30 FGEDHN CC(C(=O)NCc1ccc(C2CCC2)cc1)S(=O)(=O)C1CCOCC1 ZINC000330208831 498062443 /nfs/dbraw/zinc/06/24/43/498062443.db2.gz BIJXNISXYMTRJA-CQSZACIVSA-N 0 3 365.495 3.393 20 30 FGEDHN CS[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@@H]1N(C)C ZINC000569602293 505974160 /nfs/dbraw/zinc/97/41/60/505974160.db2.gz OJFWUELRQMINRM-STQMWFEESA-N 0 3 366.412 3.006 20 30 FGEDHN CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330243368 498075599 /nfs/dbraw/zinc/07/55/99/498075599.db2.gz CQSHLGCXWVEDDR-KURKYZTESA-N 0 3 361.534 3.464 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[C@@H](CC#N)C3)c(C)c2)CC1 ZINC000296522115 498078045 /nfs/dbraw/zinc/07/80/45/498078045.db2.gz ZJJIMKLFEAOCDN-ROUUACIJSA-N 0 3 369.513 3.341 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000330256140 498082401 /nfs/dbraw/zinc/08/24/01/498082401.db2.gz KKBXMGYIYDYRKQ-NXEZZACHSA-N 0 3 350.410 3.211 20 30 FGEDHN CN1CC[C@H](NCc2ccc(OCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000289318188 498102526 /nfs/dbraw/zinc/10/25/26/498102526.db2.gz BXTVYMSIUGRNPP-PMACEKPBSA-N 0 3 357.404 3.402 20 30 FGEDHN Cc1cnc([C@H](C)NC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 ZINC000330337167 498110033 /nfs/dbraw/zinc/11/00/33/498110033.db2.gz TVBXSUKIRPLOCL-XIRDDKMYSA-N 0 3 373.526 3.446 20 30 FGEDHN COc1ccc(NC(=O)NCCN2CCCCC2)c(Br)c1 ZINC000330477762 498139275 /nfs/dbraw/zinc/13/92/75/498139275.db2.gz WTPKOKZPGGXCOK-UHFFFAOYSA-N 0 3 356.264 3.270 20 30 FGEDHN CC(C)[C@H](CNc1ccc(C(F)(F)F)cc1C#N)N1CCN(C)CC1 ZINC000301565712 498165816 /nfs/dbraw/zinc/16/58/16/498165816.db2.gz KJIICTHCZFSVJG-KRWDZBQOSA-N 0 3 354.420 3.261 20 30 FGEDHN CCC1(CC)[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)[C@@H](C)[C@H]1OC ZINC000581445238 505990034 /nfs/dbraw/zinc/99/00/34/505990034.db2.gz RVKRFOWRDCEKCR-DTZQCDIJSA-N 0 3 361.511 3.154 20 30 FGEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@@H]1N(C)C ZINC000330871774 498208898 /nfs/dbraw/zinc/20/88/98/498208898.db2.gz RGXFPZOEMWNLMK-LSDHHAIUSA-N 0 3 355.891 3.066 20 30 FGEDHN Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1NC(=O)NC(C)(C)C ZINC000330923660 498219365 /nfs/dbraw/zinc/21/93/65/498219365.db2.gz DMVVOZDYVGTYDH-INIZCTEOSA-N 0 3 360.502 3.095 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000572574726 506001016 /nfs/dbraw/zinc/00/10/16/506001016.db2.gz KOBZUUCXXGKYAB-DLBZAZTESA-N 0 3 365.399 3.469 20 30 FGEDHN CCNC(=O)c1cccc(CNC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000285906354 498236856 /nfs/dbraw/zinc/23/68/56/498236856.db2.gz CZUVYYSQAMKHII-UHFFFAOYSA-N 0 3 362.477 3.067 20 30 FGEDHN COc1ccc(CC(=O)N2CCCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000360620371 498289845 /nfs/dbraw/zinc/28/98/45/498289845.db2.gz SABRXYAZZLAQCP-UHFFFAOYSA-N 0 3 357.498 3.102 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000331326990 498302374 /nfs/dbraw/zinc/30/23/74/498302374.db2.gz NAVQZEKWXBYZLG-MRXNPFEDSA-N 0 3 363.527 3.071 20 30 FGEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000286238646 498334937 /nfs/dbraw/zinc/33/49/37/498334937.db2.gz DKKPDECDZCAKNU-OALUTQOASA-N 0 3 370.497 3.205 20 30 FGEDHN COc1ccccc1CC(=O)N1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000365201714 498349368 /nfs/dbraw/zinc/34/93/68/498349368.db2.gz PMGRXHHDULTGPK-UHFFFAOYSA-N 0 3 371.525 3.492 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000361449365 498393120 /nfs/dbraw/zinc/39/31/20/498393120.db2.gz HAAKTXFRHPVSHG-UXHICEINSA-N 0 3 352.482 3.118 20 30 FGEDHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000302183550 498432629 /nfs/dbraw/zinc/43/26/29/498432629.db2.gz GCHQKYCDHFPTTA-KBXCAEBGSA-N 0 3 351.410 3.184 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NCc3ccccc3CN3CC[C@@H](O)C3)c2c1 ZINC000569878936 506036782 /nfs/dbraw/zinc/03/67/82/506036782.db2.gz MPWFQBGQCIMRMP-HXUWFJFHSA-N 0 3 372.472 3.016 20 30 FGEDHN COc1ccc(CNCc2ccc3cncn3c2)cc1OCCCC#N ZINC000297545059 498488097 /nfs/dbraw/zinc/48/80/97/498488097.db2.gz PBUNLCXINYQOJK-UHFFFAOYSA-N 0 3 350.422 3.315 20 30 FGEDHN C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1CC(C)(C)O ZINC000302501229 498495819 /nfs/dbraw/zinc/49/58/19/498495819.db2.gz ONOJEBUBEPTXFK-ZDUSSCGKSA-N 0 3 358.873 3.041 20 30 FGEDHN CO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)C1 ZINC000282419167 498503542 /nfs/dbraw/zinc/50/35/42/498503542.db2.gz QROAGBXYSSFXHE-UONOGXRCSA-N 0 3 361.511 3.326 20 30 FGEDHN Cc1ccc([C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)c(C)c1 ZINC000365545703 498524400 /nfs/dbraw/zinc/52/44/00/498524400.db2.gz JPYXQGNJKVVTDP-UNMCSNQZSA-N 0 3 373.456 3.458 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000293906016 498529236 /nfs/dbraw/zinc/52/92/36/498529236.db2.gz FTBOEXPLZMHMLO-UHFFFAOYSA-N 0 3 363.889 3.010 20 30 FGEDHN C/C=C\c1ccc(OC[C@H](O)CNCc2cccc(C#N)c2)c(OC)c1 ZINC000575981238 506048719 /nfs/dbraw/zinc/04/87/19/506048719.db2.gz CKUZTWJLGWOICT-SIEMBAAWSA-N 0 3 352.434 3.129 20 30 FGEDHN C[C@@H](CCC#N)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000297690527 498536394 /nfs/dbraw/zinc/53/63/94/498536394.db2.gz AGFVNXNBIHHIEW-HNNXBMFYSA-N 0 3 359.499 3.041 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000569925665 506049495 /nfs/dbraw/zinc/04/94/95/506049495.db2.gz QAIHBXSHMQYGIR-GUYCJALGSA-N 0 3 355.467 3.219 20 30 FGEDHN C[C@@H](CN(C)C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000286887485 498541556 /nfs/dbraw/zinc/54/15/56/498541556.db2.gz FDKRYNANVTZMPS-INIZCTEOSA-N 0 3 366.465 3.403 20 30 FGEDHN Cc1ccccc1NC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000362907008 498576980 /nfs/dbraw/zinc/57/69/80/498576980.db2.gz RKMVJJVQUCHUFM-FQEVSTJZSA-N 0 3 365.477 3.183 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cccs2)cc1 ZINC000286979674 498578607 /nfs/dbraw/zinc/57/86/07/498578607.db2.gz BXNPZEUTZRXTCA-GFCCVEGCSA-N 0 3 363.464 3.098 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(Nc2nc3c(cc2C#N)COCC3)CC1 ZINC000572810980 506057566 /nfs/dbraw/zinc/05/75/66/506057566.db2.gz DMJIEFODLGRAPX-INIZCTEOSA-N 0 3 362.477 3.085 20 30 FGEDHN COc1cc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccc1Cl ZINC000294125370 498597474 /nfs/dbraw/zinc/59/74/74/498597474.db2.gz KSQNUFJWCMJOSX-QGZVFWFLSA-N 0 3 367.836 3.261 20 30 FGEDHN CN(C)C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(F)cc1 ZINC000287057009 498610743 /nfs/dbraw/zinc/61/07/43/498610743.db2.gz PPOQXQHSEZKXJB-GOSISDBHSA-N 0 3 356.401 3.152 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C[C@@H](O)CN(C)C1CC1 ZINC000572890277 506076302 /nfs/dbraw/zinc/07/63/02/506076302.db2.gz XKLGZVCRXSSICI-INIZCTEOSA-N 0 3 371.294 3.031 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000365932840 498705478 /nfs/dbraw/zinc/70/54/78/498705478.db2.gz XYTWHLCDPNHDND-INIZCTEOSA-N 0 3 367.428 3.126 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC3(CC2)OCc2ccccc23)cc1 ZINC000366119130 498784979 /nfs/dbraw/zinc/78/49/79/498784979.db2.gz QXQKASVAELNFEG-UHFFFAOYSA-N 0 3 361.445 3.408 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000298535723 498804884 /nfs/dbraw/zinc/80/48/84/498804884.db2.gz WWQUWIMBTUGSBJ-OAQYLSRUSA-N 0 3 363.461 3.380 20 30 FGEDHN COc1cc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1C#N ZINC000291139525 498812905 /nfs/dbraw/zinc/81/29/05/498812905.db2.gz XQSSBRQTKVGQLL-HNNXBMFYSA-N 0 3 364.449 3.337 20 30 FGEDHN CCc1ccc([C@H](C#N)NC(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000366216596 498827832 /nfs/dbraw/zinc/82/78/32/498827832.db2.gz LBNGYWFCMGLVCK-NRFANRHFSA-N 0 3 362.477 3.237 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(c3nc4c(cccc4F)[nH]3)CC2)cc1 ZINC000366281880 498857146 /nfs/dbraw/zinc/85/71/46/498857146.db2.gz CHIVBNXUZAYMRC-LJQANCHMSA-N 0 3 364.424 3.487 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000366343026 498882041 /nfs/dbraw/zinc/88/20/41/498882041.db2.gz YROCPRVUMPHRED-VQIMIIECSA-N 0 3 369.428 3.304 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cn[nH]c1 ZINC000298818778 498887254 /nfs/dbraw/zinc/88/72/54/498887254.db2.gz BEAUJMVODGJKRY-RYUDHWBXSA-N 0 3 357.483 3.147 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000363580462 498889341 /nfs/dbraw/zinc/88/93/41/498889341.db2.gz PSIZHBAVEHHDSG-HXUWFJFHSA-N 0 3 350.466 3.121 20 30 FGEDHN O=C(Nc1cc(Cl)ccc1O)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC000328719464 498914436 /nfs/dbraw/zinc/91/44/36/498914436.db2.gz GIMJLCFUPUDZPM-CQSZACIVSA-N 0 3 351.834 3.465 20 30 FGEDHN N#C[C@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC12CCCC2 ZINC000333150164 498916245 /nfs/dbraw/zinc/91/62/45/498916245.db2.gz AQMUFPISBGTHNI-FQEVSTJZSA-N 0 3 361.555 3.328 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CNCc1ccnc(-n2ccnc2)c1 ZINC000363688825 498945411 /nfs/dbraw/zinc/94/54/11/498945411.db2.gz SBNHTWYFBQPKJO-UHFFFAOYSA-N 0 3 368.444 3.279 20 30 FGEDHN CN1C(=O)c2ccc(NC(=O)CN3CCCC34CCCCC4)cc2C1=O ZINC000328818345 498948243 /nfs/dbraw/zinc/94/82/43/498948243.db2.gz HRUXBDMLKNJPET-UHFFFAOYSA-N 0 3 355.438 3.299 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328829597 498952645 /nfs/dbraw/zinc/95/26/45/498952645.db2.gz KFHUSICLTWVPTC-SJLPKXTDSA-N 0 3 373.472 3.209 20 30 FGEDHN C[C@@H](CCOCc1ccccc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000288203630 498967010 /nfs/dbraw/zinc/96/70/10/498967010.db2.gz CSWFAPCFWGFLBC-UWJYYQICSA-N 0 3 361.445 3.352 20 30 FGEDHN CN1C(=O)c2ccc(NC(=O)CN3CC(C)(C)[C@H]4CCC[C@H]43)cc2C1=O ZINC000328876297 498970380 /nfs/dbraw/zinc/97/03/80/498970380.db2.gz SKJANPZCFNNEJG-JKSUJKDBSA-N 0 3 355.438 3.011 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC1(C#N)CCC1 ZINC000579212648 506120650 /nfs/dbraw/zinc/12/06/50/506120650.db2.gz GWTWQWHFQDNPMU-UHFFFAOYSA-N 0 3 355.486 3.023 20 30 FGEDHN CS[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H]1N(C)C ZINC000579214684 506121144 /nfs/dbraw/zinc/12/11/44/506121144.db2.gz SRRPQJXIRZAHFY-KBPBESRZSA-N 0 3 364.877 3.381 20 30 FGEDHN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000328921041 498985640 /nfs/dbraw/zinc/98/56/40/498985640.db2.gz BKGJBZIYRQXJCY-DNVCBOLYSA-N 0 3 368.481 3.149 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000295375009 498996233 /nfs/dbraw/zinc/99/62/33/498996233.db2.gz WYXKXGRSYIMNLD-UHFFFAOYSA-N 0 3 351.834 3.327 20 30 FGEDHN CN1CCC(Oc2ccc(CNCc3ccc(C#N)cc3F)cc2)CC1 ZINC000283980518 499024167 /nfs/dbraw/zinc/02/41/67/499024167.db2.gz LMUSUYQQVQNHKU-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)CC1 ZINC000283989958 499026198 /nfs/dbraw/zinc/02/61/98/499026198.db2.gz AZJRKKIIZLCOJR-UHFFFAOYSA-N 0 3 355.463 3.023 20 30 FGEDHN CN1CCC2(CCCN2C(=O)Nc2cnn(-c3ccccc3F)c2)CC1 ZINC000329075684 499034750 /nfs/dbraw/zinc/03/47/50/499034750.db2.gz PPXGPJYZDMYLQA-UHFFFAOYSA-N 0 3 357.433 3.117 20 30 FGEDHN Cc1cc(F)ccc1-n1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)nn1 ZINC000329178287 499064332 /nfs/dbraw/zinc/06/43/32/499064332.db2.gz MGTHENSZTXWVNC-HNNXBMFYSA-N 0 3 357.433 3.036 20 30 FGEDHN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1=CCN(C)CC1 ZINC000329261811 499086664 /nfs/dbraw/zinc/08/66/64/499086664.db2.gz AZRZPYSTZZSRSS-DZGCQCFKSA-N 0 3 361.873 3.300 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H]2CCN(C)[C@H]2c2ccccc2)c(C#N)c1C ZINC000284385564 499098045 /nfs/dbraw/zinc/09/80/45/499098045.db2.gz VHHOQZPNEYYGLC-HKUYNNGSSA-N 0 3 368.506 3.210 20 30 FGEDHN N#CC1(CCCN2CCC[C@H](c3nnc4n3CCCCC4)C2)CCOCC1 ZINC000366886024 499106170 /nfs/dbraw/zinc/10/61/70/499106170.db2.gz BFJVVKZORKGOKW-SFHVURJKSA-N 0 3 371.529 3.284 20 30 FGEDHN CC1CCC(N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000329488973 499127815 /nfs/dbraw/zinc/12/78/15/499127815.db2.gz YFJRYOPTWWYCRH-UHFFFAOYSA-N 0 3 359.470 3.200 20 30 FGEDHN CC(C)(C)C(=O)N1CCC(CN2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000367064272 499142744 /nfs/dbraw/zinc/14/27/44/499142744.db2.gz CEWDBVGJNXGIOX-UHFFFAOYSA-N 0 3 368.525 3.223 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000367611337 499217596 /nfs/dbraw/zinc/21/75/96/499217596.db2.gz BRUZOZKGBMOVFX-CGTJXYLNSA-N 0 3 369.490 3.499 20 30 FGEDHN CN1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@@H]1c1cccs1 ZINC000367727559 499228644 /nfs/dbraw/zinc/22/86/44/499228644.db2.gz IIIXUGQZDLMJDR-APPDUMDISA-N 0 3 357.439 3.215 20 30 FGEDHN N#Cc1csc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000368072835 499261295 /nfs/dbraw/zinc/26/12/95/499261295.db2.gz CVWCWCYIXHCYKV-MSOLQXFVSA-N 0 3 351.475 3.499 20 30 FGEDHN C#CCCN(Cc1cncnc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000368073691 499261730 /nfs/dbraw/zinc/26/17/30/499261730.db2.gz LRCOUOYKOXDTSS-SFHVURJKSA-N 0 3 358.486 3.092 20 30 FGEDHN C=CCOc1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1OC ZINC000368157478 499269891 /nfs/dbraw/zinc/26/98/91/499269891.db2.gz DQJVRZSYTNBXAQ-GOSISDBHSA-N 0 3 361.482 3.278 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1 ZINC000368281445 499281272 /nfs/dbraw/zinc/28/12/72/499281272.db2.gz BUCKONLJZUYSAM-UHFFFAOYSA-N 0 3 368.525 3.202 20 30 FGEDHN CN(CCC#N)c1ccc(CNc2cnn(CCN3CCCCC3)c2)cc1 ZINC000368320864 499285073 /nfs/dbraw/zinc/28/50/73/499285073.db2.gz ZRAHFUXVUGOWSE-UHFFFAOYSA-N 0 3 366.513 3.331 20 30 FGEDHN Cc1nc(C)n(C[C@@H]2CCCCN2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000371385095 499319001 /nfs/dbraw/zinc/31/90/01/499319001.db2.gz WARVBVLTXJHQEF-BEFAXECRSA-N 0 3 353.470 3.241 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)cc1OC ZINC000368786550 499332565 /nfs/dbraw/zinc/33/25/65/499332565.db2.gz MHVBWHQMXMUOBM-JOCHJYFZSA-N 0 3 364.445 3.356 20 30 FGEDHN N#CCOc1ccccc1C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368805031 499334663 /nfs/dbraw/zinc/33/46/63/499334663.db2.gz KGSLWGUHVZNVHK-UHFFFAOYSA-N 0 3 355.463 3.045 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371656444 499351351 /nfs/dbraw/zinc/35/13/51/499351351.db2.gz SPAHTRNBEPNCNJ-INIZCTEOSA-N 0 3 365.462 3.245 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000369134699 499369393 /nfs/dbraw/zinc/36/93/93/499369393.db2.gz PAAKCYQZJOKBBQ-XLIONFOSSA-N 0 3 363.392 3.060 20 30 FGEDHN C[C@H](N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)s1 ZINC000369225396 499379839 /nfs/dbraw/zinc/37/98/39/499379839.db2.gz IVSIGFKUCYKQSJ-HOCLYGCPSA-N 0 3 363.490 3.468 20 30 FGEDHN CCN([C@@H]1CCOC(C)(C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582150721 506144664 /nfs/dbraw/zinc/14/46/64/506144664.db2.gz OXVLJTOFQOALMK-MOPGFXCFSA-N 0 3 355.482 3.333 20 30 FGEDHN CC(C)[C@H](C(=O)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1)N(C)C ZINC000371985288 499387155 /nfs/dbraw/zinc/38/71/55/499387155.db2.gz FFRBFPDOGJGNRT-SUMWQHHRSA-N 0 3 356.495 3.445 20 30 FGEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cccc(OCCCC#N)c1 ZINC000369564196 499418324 /nfs/dbraw/zinc/41/83/24/499418324.db2.gz IDUPAILWHZTUQC-GOSISDBHSA-N 0 3 357.498 3.054 20 30 FGEDHN Cc1nc2c(s1)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000373500283 499473425 /nfs/dbraw/zinc/47/34/25/499473425.db2.gz CYAGZEWTWULRTE-RDJZCZTQSA-N 0 3 350.447 3.199 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000378309724 499500215 /nfs/dbraw/zinc/50/02/15/499500215.db2.gz IPTGQGNYBMUXPG-FQEVSTJZSA-N 0 3 364.449 3.225 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2NCc2ccn(Cc3ccccc3)n2)O1 ZINC000375314658 499506379 /nfs/dbraw/zinc/50/63/79/499506379.db2.gz VBUFXTIYDDFGIK-NCYKPQTJSA-N 0 3 350.466 3.261 20 30 FGEDHN COc1ccccc1O[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000375743934 499550746 /nfs/dbraw/zinc/55/07/46/499550746.db2.gz QHXHHGKGBLCNJS-OALUTQOASA-N 0 3 352.434 3.144 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000390910722 499556331 /nfs/dbraw/zinc/55/63/31/499556331.db2.gz WOZCKCLLSUGJRL-HXUWFJFHSA-N 0 3 353.441 3.078 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCC(C)(C)CCC#N ZINC000376996253 499652679 /nfs/dbraw/zinc/65/26/79/499652679.db2.gz VNOHNMKNOFDCFK-ROUUACIJSA-N 0 3 357.502 3.046 20 30 FGEDHN C=CCCCCCCNC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000377045407 499656495 /nfs/dbraw/zinc/65/64/95/499656495.db2.gz TXJHSXQGBCALGH-UHFFFAOYSA-N 0 3 364.578 3.323 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2COc3cccc(Cl)c32)cc1 ZINC000377510416 499698662 /nfs/dbraw/zinc/69/86/62/499698662.db2.gz YOEUKUSFZAVFFQ-GOEBONIOSA-N 0 3 351.793 3.144 20 30 FGEDHN C=CCN(Cc1cnc([C@H](C)O)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377550594 499703563 /nfs/dbraw/zinc/70/35/63/499703563.db2.gz PTJFQAVXGXFILA-WMZOPIPTSA-N 0 3 357.523 3.459 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000579371134 506158735 /nfs/dbraw/zinc/15/87/35/506158735.db2.gz XEUPQUHUIDKFAL-IXDOHACOSA-N 0 3 372.538 3.188 20 30 FGEDHN CC[C@](CNCc1ccc(C#N)c(OC)c1)(C(=O)OC)c1ccccc1 ZINC000414591459 499812595 /nfs/dbraw/zinc/81/25/95/499812595.db2.gz SMUOUTPDNVBTQC-OAQYLSRUSA-N 0 3 352.434 3.177 20 30 FGEDHN COCC1(C#N)CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412348644 499847304 /nfs/dbraw/zinc/84/73/04/499847304.db2.gz ZJAGQQCHNWILRL-UHFFFAOYSA-N 0 3 355.482 3.065 20 30 FGEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCNCC1 ZINC000415018939 499855398 /nfs/dbraw/zinc/85/53/98/499855398.db2.gz HOWRLUAWQJCWTO-UHFFFAOYSA-N 0 3 350.422 3.486 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000412901818 499895089 /nfs/dbraw/zinc/89/50/89/499895089.db2.gz YSTYOTDIWMOQGB-OKZBNKHCSA-N 0 3 353.466 3.339 20 30 FGEDHN COCCOc1ccc(C#N)cc1NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416195615 499977396 /nfs/dbraw/zinc/97/73/96/499977396.db2.gz GAKZGIKRAKRTPY-LJQANCHMSA-N 0 3 367.449 3.215 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000570445025 506168957 /nfs/dbraw/zinc/16/89/57/506168957.db2.gz UGGOFQNDJOVZLK-HKUYNNGSSA-N 0 3 372.465 3.397 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000413580998 499997119 /nfs/dbraw/zinc/99/71/19/499997119.db2.gz LPGBVSMDCDAASN-GOSISDBHSA-N 0 3 361.555 3.300 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1F ZINC000421331216 500018618 /nfs/dbraw/zinc/01/86/18/500018618.db2.gz ZQNSNIBICXMDFF-HNNXBMFYSA-N 0 3 368.330 3.246 20 30 FGEDHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429229864 500027672 /nfs/dbraw/zinc/02/76/72/500027672.db2.gz WMHLNQATEPNDEE-NHYWBVRUSA-N 0 3 355.825 3.001 20 30 FGEDHN COC(=O)[C@@H]1CN(CC(C)(C)CCC#N)C[C@H]1c1ccc(F)cc1F ZINC000425346995 500080158 /nfs/dbraw/zinc/08/01/58/500080158.db2.gz KMDHSYQWCJUKGQ-JKSUJKDBSA-N 0 3 350.409 3.483 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000429476408 500083929 /nfs/dbraw/zinc/08/39/29/500083929.db2.gz UTPNCRJLDULWDS-RBUKOAKNSA-N 0 3 363.546 3.454 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429589856 500109203 /nfs/dbraw/zinc/10/92/03/500109203.db2.gz JZEHPMLSCBDHSF-PBHICJAKSA-N 0 3 360.502 3.072 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000425569318 500149422 /nfs/dbraw/zinc/14/94/22/500149422.db2.gz YLWROOFHUKETIV-ZCNNSNEGSA-N 0 3 357.498 3.022 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccccc2)cc1 ZINC000429931475 500168580 /nfs/dbraw/zinc/16/85/80/500168580.db2.gz IZALCRKJGHOXKV-CQSZACIVSA-N 0 3 357.435 3.036 20 30 FGEDHN CN(c1nc2c(cc1C#N)COCC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000576550284 506183769 /nfs/dbraw/zinc/18/37/69/506183769.db2.gz GQZCTLVSHXSCLZ-HXUWFJFHSA-N 0 3 362.477 3.127 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000418658155 500302360 /nfs/dbraw/zinc/30/23/60/500302360.db2.gz VNHNBLSSFJMNOO-HXUWFJFHSA-N 0 3 371.481 3.122 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(C)C ZINC000430898939 500303846 /nfs/dbraw/zinc/30/38/46/500303846.db2.gz GBLGBKYUOREEKE-VQTJNVASSA-N 0 3 367.493 3.074 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nc(C(F)(F)F)n1)C(C)C ZINC000426813035 500323457 /nfs/dbraw/zinc/32/34/57/500323457.db2.gz UQPCUYOEDXHJPF-OAHLLOKOSA-N 0 3 370.419 3.232 20 30 FGEDHN N#CCC1(CNC(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000431056959 500329462 /nfs/dbraw/zinc/32/94/62/500329462.db2.gz MJHXZIOONGYBQH-UHFFFAOYSA-N 0 3 354.498 3.030 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000424058792 500444949 /nfs/dbraw/zinc/44/49/49/500444949.db2.gz ANIIOCOJCDPALB-UQCRRXGBSA-N 0 3 359.473 3.421 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000424080707 500449434 /nfs/dbraw/zinc/44/94/34/500449434.db2.gz UAJYLXBULJNZKQ-NSHDSACASA-N 0 3 364.165 3.428 20 30 FGEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)n(-c2ccccc2C(F)(F)F)n1 ZINC000424085071 500450273 /nfs/dbraw/zinc/45/02/73/500450273.db2.gz YXMDFYCPVKMCPD-CYBMUJFWSA-N 0 3 365.359 3.159 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000424091233 500451241 /nfs/dbraw/zinc/45/12/41/500451241.db2.gz MCQYVOBJVLTQBZ-HNNXBMFYSA-N 0 3 364.287 3.356 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCN(C2CCCC2)CC1 ZINC000424251325 500475180 /nfs/dbraw/zinc/47/51/80/500475180.db2.gz QICICZLTBRUQSH-QGZVFWFLSA-N 0 3 361.559 3.487 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000420770225 500497031 /nfs/dbraw/zinc/49/70/31/500497031.db2.gz ZXNFOFHOKJGMQV-UHFFFAOYSA-N 0 3 354.479 3.084 20 30 FGEDHN N#C[C@H](c1ccccc1)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000570586903 506200156 /nfs/dbraw/zinc/20/01/56/506200156.db2.gz FASGBZOMBAGAKZ-DHIUTWEWSA-N 0 3 360.505 3.143 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(NCCCN3CCCO[C@@H](C)C3)c2c1 ZINC000432870839 500581294 /nfs/dbraw/zinc/58/12/94/500581294.db2.gz IMZSCCAPNBPHSF-KRWDZBQOSA-N 0 3 352.482 3.058 20 30 FGEDHN COC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCCO1 ZINC000433187494 500641972 /nfs/dbraw/zinc/64/19/72/500641972.db2.gz AHCZXBNMRRCJMO-VXKWHMMOSA-N 0 3 366.461 3.421 20 30 FGEDHN C=CC[C@@H]1N(C(=O)NCCCN2CCCO[C@@H](C)C2)CCCC1(C)C ZINC000447810397 500667467 /nfs/dbraw/zinc/66/74/67/500667467.db2.gz INPAJVYKXLUJBA-ROUUACIJSA-N 0 3 351.535 3.264 20 30 FGEDHN CCN(CC)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000433309646 500668128 /nfs/dbraw/zinc/66/81/28/500668128.db2.gz BVPAYUDBFQSXSJ-IBGZPJMESA-N 0 3 350.466 3.317 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000433360822 500680279 /nfs/dbraw/zinc/68/02/79/500680279.db2.gz BKKHZJXBYDYJGS-IBGZPJMESA-N 0 3 371.444 3.060 20 30 FGEDHN Cn1cc(CNC(=O)C(C#N)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000433378555 500684177 /nfs/dbraw/zinc/68/41/77/500684177.db2.gz UKJQUPYFHSXDRL-IBGZPJMESA-N 0 3 358.445 3.476 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000433390364 500686581 /nfs/dbraw/zinc/68/65/81/500686581.db2.gz ZUPWCDRONKSCIN-AZUAARDMSA-N 0 3 350.418 3.065 20 30 FGEDHN Cc1cc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000443980314 500786700 /nfs/dbraw/zinc/78/67/00/500786700.db2.gz QMAGOGRKRHCKRB-KRWDZBQOSA-N 0 3 364.367 3.415 20 30 FGEDHN Cc1cc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)ccc1C#N ZINC000443998369 500789274 /nfs/dbraw/zinc/78/92/74/500789274.db2.gz PNAQEWBDJLCVRA-IBGZPJMESA-N 0 3 361.424 3.369 20 30 FGEDHN CCOc1cccc(CNC2CCC(Oc3ncccc3C#N)CC2)n1 ZINC000438496237 500792676 /nfs/dbraw/zinc/79/26/76/500792676.db2.gz STXXVXLYBGZORM-UHFFFAOYSA-N 0 3 352.438 3.227 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000448666018 500798328 /nfs/dbraw/zinc/79/83/28/500798328.db2.gz DOIZYYBOHMBUOD-HXUWFJFHSA-N 0 3 350.466 3.008 20 30 FGEDHN C=CCOc1ccc(CC(=O)Nc2cccc(OCCN(C)C)c2)cc1 ZINC000448836984 500847774 /nfs/dbraw/zinc/84/77/74/500847774.db2.gz RBNWZKYVBWBKIZ-UHFFFAOYSA-N 0 3 354.450 3.373 20 30 FGEDHN CCCN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000448858869 500853962 /nfs/dbraw/zinc/85/39/62/500853962.db2.gz KQSQSRKLYSCATQ-HXUWFJFHSA-N 0 3 364.493 3.414 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](CO)C(C)(C)C)c1C#N ZINC000444669715 500875766 /nfs/dbraw/zinc/87/57/66/500875766.db2.gz FUJVPYGSYDZIME-QGZVFWFLSA-N 0 3 360.502 3.027 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](CC(F)(F)F)C2)c(OC)c1 ZINC000444716843 500886534 /nfs/dbraw/zinc/88/65/34/500886534.db2.gz LBVDSNYXTFQVLF-CVEARBPZSA-N 0 3 373.415 3.438 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](CC(F)(F)F)C2)c(OC)c1 ZINC000444716844 500886656 /nfs/dbraw/zinc/88/66/56/500886656.db2.gz LBVDSNYXTFQVLF-HOTGVXAUSA-N 0 3 373.415 3.438 20 30 FGEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Cl ZINC000449432942 501002380 /nfs/dbraw/zinc/00/23/80/501002380.db2.gz JYJCNEANRQQMRA-NUJGCVRESA-N 0 3 351.874 3.267 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)c(OC)c(OCC)c1 ZINC000449519361 501023427 /nfs/dbraw/zinc/02/34/27/501023427.db2.gz LZUMQBVQAHAQNN-KGLIPLIRSA-N 0 3 356.260 3.290 20 30 FGEDHN COc1cc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000440621979 501030117 /nfs/dbraw/zinc/03/01/17/501030117.db2.gz DDSFTIGXXGLYKX-PXNSSMCTSA-N 0 3 369.852 3.282 20 30 FGEDHN N#CCC1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000611619696 506230950 /nfs/dbraw/zinc/23/09/50/506230950.db2.gz UPZAWWJCRGZAEP-FQEVSTJZSA-N 0 3 354.498 3.234 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)NC1(C#N)CCC1 ZINC000435881000 501040992 /nfs/dbraw/zinc/04/09/92/501040992.db2.gz MYGUOVVCPTYUDS-RYUDHWBXSA-N 0 3 350.260 3.051 20 30 FGEDHN CC[C@@H](C)N1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000449625989 501045578 /nfs/dbraw/zinc/04/55/78/501045578.db2.gz UOWABJRJIKHIDZ-GOSISDBHSA-N 0 3 351.498 3.380 20 30 FGEDHN CCO[C@@H]1COC[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449719162 501068379 /nfs/dbraw/zinc/06/83/79/501068379.db2.gz QJYJTPFQZXYRJK-NHCUHLMSSA-N 0 3 352.434 3.031 20 30 FGEDHN CC[C@@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCc2ccccc2C1 ZINC000441034070 501078226 /nfs/dbraw/zinc/07/82/26/501078226.db2.gz LLLPQOFPRFKXHP-NGICGMGXSA-N 0 3 368.525 3.452 20 30 FGEDHN COC[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000449779778 501085177 /nfs/dbraw/zinc/08/51/77/501085177.db2.gz UPUSPRLEYGHYOL-QGZVFWFLSA-N 0 3 353.470 3.107 20 30 FGEDHN CN1CCC[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000450350725 501098152 /nfs/dbraw/zinc/09/81/52/501098152.db2.gz RWFWYUCRUTWOGT-BBRMVZONSA-N 0 3 357.439 3.418 20 30 FGEDHN COc1ccc(CN2CCCN(c3nc4ncccc4cc3C#N)CC2)cc1 ZINC000596067221 506238936 /nfs/dbraw/zinc/23/89/36/506238936.db2.gz XTSAVJWPONVYKT-UHFFFAOYSA-N 0 3 373.460 3.222 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000436717760 501196212 /nfs/dbraw/zinc/19/62/12/501196212.db2.gz CWDNMXVQIMEENA-QFBILLFUSA-N 0 3 363.461 3.235 20 30 FGEDHN CCOC(=O)c1ccc(C#N)c(SCCN(C)Cc2ccccc2)n1 ZINC000450799158 501210730 /nfs/dbraw/zinc/21/07/30/501210730.db2.gz XAXQSICNOQFQLB-UHFFFAOYSA-N 0 3 355.463 3.354 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H]2CCOC2(C)C)c1C#N ZINC000451245961 501254527 /nfs/dbraw/zinc/25/45/27/501254527.db2.gz VHILVJKHXQKQGL-SFHVURJKSA-N 0 3 366.465 3.061 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000457604181 501266998 /nfs/dbraw/zinc/26/69/98/501266998.db2.gz HCLJQRFDJRUAMY-CEWLAPEOSA-N 0 3 356.510 3.481 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c2ccccc21 ZINC000451413841 501286527 /nfs/dbraw/zinc/28/65/27/501286527.db2.gz HQNSBVFNKRZWPE-DUXKGJEZSA-N 0 3 365.477 3.363 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451418353 501288243 /nfs/dbraw/zinc/28/82/43/501288243.db2.gz MKKWRRHXMUNXIU-PWRODBHTSA-N 0 3 369.509 3.176 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451419119 501288786 /nfs/dbraw/zinc/28/87/86/501288786.db2.gz NEBWYLDBRHWNDN-QVDUIBETSA-N 0 3 361.873 3.164 20 30 FGEDHN C[C@@H]1[C@H](O)CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451451219 501295235 /nfs/dbraw/zinc/29/52/35/501295235.db2.gz CKJZBTCHCZYJFH-CZUORRHYSA-N 0 3 361.511 3.062 20 30 FGEDHN C[C@@H]1[C@@H](O)CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451451218 501295304 /nfs/dbraw/zinc/29/53/04/501295304.db2.gz CKJZBTCHCZYJFH-CJNGLKHVSA-N 0 3 361.511 3.062 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCC2 ZINC000451470252 501299617 /nfs/dbraw/zinc/29/96/17/501299617.db2.gz GCLJZQCXSHLWGK-ZYSHUDEJSA-N 0 3 373.472 3.398 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCC2 ZINC000451470248 501299682 /nfs/dbraw/zinc/29/96/82/501299682.db2.gz GCLJZQCXSHLWGK-AYOQOUSVSA-N 0 3 373.472 3.398 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000451506216 501308619 /nfs/dbraw/zinc/30/86/19/501308619.db2.gz KTUWXMKKOUCWTF-LJQANCHMSA-N 0 3 350.466 3.225 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000457829341 501318171 /nfs/dbraw/zinc/31/81/71/501318171.db2.gz ZFOFTUGJPBEDCJ-GUDVDZBRSA-N 0 3 362.539 3.499 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569508 501327229 /nfs/dbraw/zinc/32/72/29/501327229.db2.gz OKPSABCIWNLOCI-OAHLLOKOSA-N 0 3 364.287 3.001 20 30 FGEDHN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453424845 501328821 /nfs/dbraw/zinc/32/88/21/501328821.db2.gz KXBODAJFYNHPKO-INIZCTEOSA-N 0 3 357.477 3.115 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453426856 501329762 /nfs/dbraw/zinc/32/97/62/501329762.db2.gz SZSUFACMCVGMJQ-IBGZPJMESA-N 0 3 353.514 3.282 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453450094 501334405 /nfs/dbraw/zinc/33/44/05/501334405.db2.gz QKHOVKQWLCHAMP-KRWDZBQOSA-N 0 3 357.477 3.113 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453469408 501340810 /nfs/dbraw/zinc/34/08/10/501340810.db2.gz WMCWMPLDSZUMAZ-MANSERQUSA-N 0 3 373.545 3.262 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000451684918 501350026 /nfs/dbraw/zinc/35/00/26/501350026.db2.gz WPOOOKCDFUETSM-MOPGFXCFSA-N 0 3 370.497 3.353 20 30 FGEDHN C[C@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451699205 501354400 /nfs/dbraw/zinc/35/44/00/501354400.db2.gz UNUDEWXLVVBTBO-JDLLUZBXSA-N 0 3 359.473 3.321 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455702071 501368219 /nfs/dbraw/zinc/36/82/19/501368219.db2.gz KQWJMROCGGOHBZ-UHFFFAOYSA-N 0 3 371.872 3.397 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2COCC2(C)C)c1C#N ZINC000451806687 501376121 /nfs/dbraw/zinc/37/61/21/501376121.db2.gz FGOVLKHRGWMDTP-QGZVFWFLSA-N 0 3 358.486 3.045 20 30 FGEDHN CN(C)[C@@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)c1ccccc1 ZINC000596088183 506249523 /nfs/dbraw/zinc/24/95/23/506249523.db2.gz HXLKSFIMFMQGQC-IBGZPJMESA-N 0 3 350.466 3.395 20 30 FGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455789664 501386167 /nfs/dbraw/zinc/38/61/67/501386167.db2.gz OZNWRPJZAMJVLP-ZDUSSCGKSA-N 0 3 357.845 3.249 20 30 FGEDHN N#Cc1ncc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000455791153 501386975 /nfs/dbraw/zinc/38/69/75/501386975.db2.gz QMFFTEDEGAIJJI-OAHLLOKOSA-N 0 3 369.856 3.393 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)cnc2C)CC1 ZINC000455809383 501390717 /nfs/dbraw/zinc/39/07/17/501390717.db2.gz UHOSHZGQOHAIHW-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN C=C[C@@](C)(O)CC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000452449198 501503019 /nfs/dbraw/zinc/50/30/19/501503019.db2.gz AYLPEGRZHCMXAC-JTHBVZDNSA-N 0 3 370.537 3.463 20 30 FGEDHN CN(c1nc2ncccc2cc1C#N)C1CCN(CCc2ccccn2)CC1 ZINC000596099253 506257396 /nfs/dbraw/zinc/25/73/96/506257396.db2.gz QNBSDIIFALMBAU-UHFFFAOYSA-N 0 3 372.476 3.040 20 30 FGEDHN CC(C)(C#N)CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000611690218 506258052 /nfs/dbraw/zinc/25/80/52/506258052.db2.gz KLCOFOLCFHLIBE-QGZVFWFLSA-N 0 3 353.388 3.107 20 30 FGEDHN Cc1nsc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1C#N ZINC000459590702 501682723 /nfs/dbraw/zinc/68/27/23/501682723.db2.gz SRRFRXXIOGQYGB-UHFFFAOYSA-N 0 3 369.494 3.452 20 30 FGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H](C)CCCc2cccnc2)c(C#N)c1C ZINC000459638728 501691173 /nfs/dbraw/zinc/69/11/73/501691173.db2.gz JHKCSVNLGQTEHX-HIFRSBDPSA-N 0 3 354.454 3.491 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)CCCc2cccnc2)c(C#N)c1C ZINC000459638728 501691176 /nfs/dbraw/zinc/69/11/76/501691176.db2.gz JHKCSVNLGQTEHX-HIFRSBDPSA-N 0 3 354.454 3.491 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1F ZINC000457483557 501707661 /nfs/dbraw/zinc/70/76/61/501707661.db2.gz FPVIYOODOOYGGN-KRWDZBQOSA-N 0 3 372.469 3.395 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CNc1cccc(C#N)c1 ZINC000470588488 501737466 /nfs/dbraw/zinc/73/74/66/501737466.db2.gz RHTHRUOAQJLAHG-NRFANRHFSA-N 0 3 364.493 3.243 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000477754747 501777415 /nfs/dbraw/zinc/77/74/15/501777415.db2.gz LKVXJYFMCISIHF-HZPDHXFCSA-N 0 3 363.468 3.006 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000477754748 501777701 /nfs/dbraw/zinc/77/77/01/501777701.db2.gz LKVXJYFMCISIHF-JKSUJKDBSA-N 0 3 363.468 3.006 20 30 FGEDHN COc1ccc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1F ZINC000470753914 501791763 /nfs/dbraw/zinc/79/17/63/501791763.db2.gz DNZZOYZDHOFXHU-DYVFJYSZSA-N 0 3 351.381 3.266 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(Br)c2)cc1 ZINC000470785207 501802801 /nfs/dbraw/zinc/80/28/01/501802801.db2.gz UFJLVKFCACJVEE-INIZCTEOSA-N 0 3 368.234 3.319 20 30 FGEDHN CC[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)N(CC)CC ZINC000470846826 501828029 /nfs/dbraw/zinc/82/80/29/501828029.db2.gz ABFMUKSQGVBVAZ-GOSISDBHSA-N 0 3 370.497 3.328 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(OC(F)F)c2)cc1 ZINC000470895677 501844992 /nfs/dbraw/zinc/84/49/92/501844992.db2.gz ZBRDKKODLAKROR-INIZCTEOSA-N 0 3 355.344 3.158 20 30 FGEDHN CCN(Cc1ccc(C(=O)NCc2ccc(C#N)c(OC)c2)cc1)C1CC1 ZINC000460592277 501870762 /nfs/dbraw/zinc/87/07/62/501870762.db2.gz MPKGUDOTFGTHFP-UHFFFAOYSA-N 0 3 363.461 3.481 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481771959 501878966 /nfs/dbraw/zinc/87/89/66/501878966.db2.gz ABADMODDAKAVPC-HXUWFJFHSA-N 0 3 374.554 3.163 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000470979856 501881096 /nfs/dbraw/zinc/88/10/96/501881096.db2.gz PTTJYLDTYAZWBZ-LJQANCHMSA-N 0 3 359.429 3.488 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000470979855 501881799 /nfs/dbraw/zinc/88/17/99/501881799.db2.gz PTTJYLDTYAZWBZ-IBGZPJMESA-N 0 3 359.429 3.488 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000470980098 501881918 /nfs/dbraw/zinc/88/19/18/501881918.db2.gz UJURXGAFLWTDNH-JXFKEZNVSA-N 0 3 369.428 3.304 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3ccc(F)c(F)c3C2)cc1 ZINC000471040787 501900227 /nfs/dbraw/zinc/90/02/27/501900227.db2.gz LNEWORNZHVZVTQ-MRXNPFEDSA-N 0 3 351.356 3.104 20 30 FGEDHN COc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccc1OCCO ZINC000481915566 501917613 /nfs/dbraw/zinc/91/76/13/501917613.db2.gz MIVYXPBIOSJQEB-FQEVSTJZSA-N 0 3 366.461 3.495 20 30 FGEDHN C=CCN1CCC(NCc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000482190146 502003014 /nfs/dbraw/zinc/00/30/14/502003014.db2.gz AMNOITWVKBPAAB-UHFFFAOYSA-N 0 3 354.450 3.473 20 30 FGEDHN C=CCCC1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000474959186 502004532 /nfs/dbraw/zinc/00/45/32/502004532.db2.gz YZPIEMNDANBPFG-UHFFFAOYSA-N 0 3 355.526 3.451 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c(OC)c1 ZINC000478563308 502019277 /nfs/dbraw/zinc/01/92/77/502019277.db2.gz JZXZVRZALBRESA-DLBZAZTESA-N 0 3 360.498 3.182 20 30 FGEDHN CC[C@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000461364309 502083100 /nfs/dbraw/zinc/08/31/00/502083100.db2.gz QCGDDSXGKFEVRX-FQEVSTJZSA-N 0 3 362.477 3.488 20 30 FGEDHN COc1ccc(CN2CCC([C@@H](C)NC(C)=O)CC2)cc1OCCCC#N ZINC000482504922 502090261 /nfs/dbraw/zinc/09/02/61/502090261.db2.gz NARCNBFLGHTWAC-MRXNPFEDSA-N 0 3 373.497 3.114 20 30 FGEDHN CO[C@]1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CCOC1 ZINC000461419254 502106774 /nfs/dbraw/zinc/10/67/74/502106774.db2.gz UIHHDFQHZKUWQO-NRFANRHFSA-N 0 3 352.434 3.032 20 30 FGEDHN N#Cc1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000461436584 502113417 /nfs/dbraw/zinc/11/34/17/502113417.db2.gz CSRYSTUXUYWOCK-SJORKVTESA-N 0 3 351.475 3.214 20 30 FGEDHN CC(C#N)C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000468603876 502121110 /nfs/dbraw/zinc/12/11/10/502121110.db2.gz VUMHXIGKRUZPIP-ZDUSSCGKSA-N 0 3 357.360 3.092 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475322850 502134871 /nfs/dbraw/zinc/13/48/71/502134871.db2.gz SZWYBIGWYQPHSA-FXAWDEMLSA-N 0 3 363.461 3.058 20 30 FGEDHN CC(C#N)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000468975826 502249628 /nfs/dbraw/zinc/24/96/28/502249628.db2.gz PFAIYRCIZOBFSK-XIKOKIGWSA-N 0 3 356.809 3.476 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000461958948 502253298 /nfs/dbraw/zinc/25/32/98/502253298.db2.gz NKULWMUXBJJQAI-AQNXPRMDSA-N 0 3 354.498 3.232 20 30 FGEDHN CN(C)[C@]1(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CCSC1 ZINC000479456166 502265755 /nfs/dbraw/zinc/26/57/55/502265755.db2.gz PJJJKWVYYSZOAP-KRWDZBQOSA-N 0 3 364.877 3.170 20 30 FGEDHN CCc1nc(C#N)cc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000596193514 506303915 /nfs/dbraw/zinc/30/39/15/506303915.db2.gz FDMRFHSZHQFFQR-OAHLLOKOSA-N 0 3 363.387 3.066 20 30 FGEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469168482 502322756 /nfs/dbraw/zinc/32/27/56/502322756.db2.gz VLGIPBGVDXTJNN-HNNXBMFYSA-N 0 3 352.438 3.208 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@]2(CCCOC2)C1)C(C)C ZINC000476062164 502374270 /nfs/dbraw/zinc/37/42/70/502374270.db2.gz JLIRHJCSUJSZLZ-FPOVZHCZSA-N 0 3 363.546 3.287 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)NCCCN3CCc4ccccc4C3)CC2)c1 ZINC000479810453 502384610 /nfs/dbraw/zinc/38/46/10/502384610.db2.gz FSXLLVXSSXMVOB-UHFFFAOYSA-N 0 3 374.488 3.295 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000465862695 502406658 /nfs/dbraw/zinc/40/66/58/502406658.db2.gz ISLKWYBAACJWOV-AWEZNQCLSA-N 0 3 370.280 3.377 20 30 FGEDHN C[C@@H]1CN(CCCCNC(=O)C[C@@H](CC#N)c2ccccc2)C[C@H](C)O1 ZINC000476306716 502449997 /nfs/dbraw/zinc/44/99/97/502449997.db2.gz RTOSYTSCVOYBQW-WSTZPKSXSA-N 0 3 357.498 3.080 20 30 FGEDHN N#CC[C@H](CC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000476329434 502458376 /nfs/dbraw/zinc/45/83/76/502458376.db2.gz CERJNFALZCTKLK-NHCUHLMSSA-N 0 3 369.509 3.177 20 30 FGEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469581316 502469815 /nfs/dbraw/zinc/46/98/15/502469815.db2.gz VMOBIBYGVHBEBX-HNAYVOBHSA-N 0 3 350.466 3.158 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(OC)cc2OC2CCCC2)CC1 ZINC000480149574 502483757 /nfs/dbraw/zinc/48/37/57/502483757.db2.gz WILFFPSSLOUAQS-UHFFFAOYSA-N 0 3 358.482 3.397 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)NCCCCN1CCN(CC)CC1 ZINC000483883383 502512884 /nfs/dbraw/zinc/51/28/84/502512884.db2.gz JGNZFWCBQJUJTF-UHFFFAOYSA-N 0 3 364.578 3.182 20 30 FGEDHN CC(C)O[C@@H]1C[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000462833659 502592476 /nfs/dbraw/zinc/59/24/76/502592476.db2.gz MTWOGGALDVEHGY-IPMKNSEASA-N 0 3 355.482 3.235 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000488005792 502598044 /nfs/dbraw/zinc/59/80/44/502598044.db2.gz DCZFUFCVUZHPDC-PZJWPPBQSA-N 0 3 370.541 3.211 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1-n1cccn1 ZINC000469969782 502614089 /nfs/dbraw/zinc/61/40/89/502614089.db2.gz RUPCLOXDYZRTFL-OXQOHEQNSA-N 0 3 371.444 3.200 20 30 FGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000466596065 502619605 /nfs/dbraw/zinc/61/96/05/502619605.db2.gz IRADQRJVIHSQRF-IYBDPMFKSA-N 0 3 359.474 3.149 20 30 FGEDHN C=CCn1cccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473530125 502625655 /nfs/dbraw/zinc/62/56/55/502625655.db2.gz YCHUGGCQMBKUNE-UHFFFAOYSA-N 0 3 355.404 3.209 20 30 FGEDHN CN(C)CCOCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000473665000 502671769 /nfs/dbraw/zinc/67/17/69/502671769.db2.gz HMPYATYADRTFQI-UHFFFAOYSA-N 0 3 368.437 3.050 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000488343466 502689632 /nfs/dbraw/zinc/68/96/32/502689632.db2.gz YHKGUTJTTIJXEP-HXUWFJFHSA-N 0 3 369.440 3.137 20 30 FGEDHN N#Cc1nccnc1N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484647801 502695529 /nfs/dbraw/zinc/69/55/29/502695529.db2.gz WVJOUSOJQIYRJW-UHFFFAOYSA-N 0 3 351.498 3.077 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000470182357 502698378 /nfs/dbraw/zinc/69/83/78/502698378.db2.gz KIICBFGQCITZTI-ICSRJNTNSA-N 0 3 355.482 3.095 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1C(C)(C)C ZINC000484778010 502737595 /nfs/dbraw/zinc/73/75/95/502737595.db2.gz FGAYKIHNVUSTOI-UHFFFAOYSA-N 0 3 368.485 3.105 20 30 FGEDHN C=CCNc1ncc(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)s1 ZINC000474049571 502790180 /nfs/dbraw/zinc/79/01/80/502790180.db2.gz ZVDFAWAWFIMFKT-AWEZNQCLSA-N 0 3 364.540 3.037 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCC[C@H](COC)C1 ZINC000467119956 502793913 /nfs/dbraw/zinc/79/39/13/502793913.db2.gz MWFZVWQCPXFGPB-SJORKVTESA-N 0 3 350.528 3.400 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593014626 506336268 /nfs/dbraw/zinc/33/62/68/506336268.db2.gz ATMVWXMGERUJFQ-LJQANCHMSA-N 0 3 350.422 3.173 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc(C#N)c(C)c2)s1 ZINC000513049970 502839370 /nfs/dbraw/zinc/83/93/70/502839370.db2.gz CLIKKZLKXGVZLA-OLZOCXBDSA-N 0 3 357.483 3.034 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)C(C)C ZINC000496028391 502869954 /nfs/dbraw/zinc/86/99/54/502869954.db2.gz LKNRNUXAKXKRMQ-FQEVSTJZSA-N 0 3 352.482 3.301 20 30 FGEDHN C=C[C@H]1CCCCN1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000489441235 502959169 /nfs/dbraw/zinc/95/91/69/502959169.db2.gz QPLCVNZPKQETIK-NRFANRHFSA-N 0 3 355.526 3.070 20 30 FGEDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621229 503002352 /nfs/dbraw/zinc/00/23/52/503002352.db2.gz UDPAQJQKRSAISQ-BEFAXECRSA-N 0 3 369.421 3.289 20 30 FGEDHN CN(C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)Cc1ccccc1 ZINC000506035249 503033443 /nfs/dbraw/zinc/03/34/43/503033443.db2.gz OCMBLPQSOLJIJX-FQEVSTJZSA-N 0 3 367.468 3.264 20 30 FGEDHN CCCn1nccc1C1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000501563905 503039114 /nfs/dbraw/zinc/03/91/14/503039114.db2.gz YSKRBNAKOJUKAR-UHFFFAOYSA-N 0 3 365.481 3.373 20 30 FGEDHN CC(C)[C@@H](CNC(=O)Cc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000501819685 503087057 /nfs/dbraw/zinc/08/70/57/503087057.db2.gz RSTIYLZQZABXJA-JOCHJYFZSA-N 0 3 361.489 3.300 20 30 FGEDHN Cc1nc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)ccc1C#N ZINC000501821067 503087684 /nfs/dbraw/zinc/08/76/84/503087684.db2.gz WMADGFMMZWHQEL-NRFANRHFSA-N 0 3 362.477 3.074 20 30 FGEDHN Cc1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000506335873 503096511 /nfs/dbraw/zinc/09/65/11/503096511.db2.gz AGABGLHHDOPMPX-IYBDPMFKSA-N 0 3 365.481 3.045 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC)CC1 ZINC000506360349 503101702 /nfs/dbraw/zinc/10/17/02/503101702.db2.gz BRWJVGPIOLXBIB-UHFFFAOYSA-N 0 3 363.483 3.477 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)COc1ccc(C#N)cc1)N(C)C ZINC000510509877 503129036 /nfs/dbraw/zinc/12/90/36/503129036.db2.gz FVQXFJWDZUCVBF-HRAATJIYSA-N 0 3 351.450 3.053 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)CNc1ccc(C#N)cc1)N(C)C ZINC000510525228 503133330 /nfs/dbraw/zinc/13/33/30/503133330.db2.gz PQBFIPXDNRVULD-KKSFZXQISA-N 0 3 350.466 3.086 20 30 FGEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(OC)c(OC)c1 ZINC000506638268 503146876 /nfs/dbraw/zinc/14/68/76/503146876.db2.gz BWDXABOOEUMIPT-NVXWUHKLSA-N 0 3 373.497 3.476 20 30 FGEDHN CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000514633520 503153711 /nfs/dbraw/zinc/15/37/11/503153711.db2.gz GDUZDYJOVQRBPB-UHFFFAOYSA-N 0 3 364.415 3.479 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000506929575 503195998 /nfs/dbraw/zinc/19/59/98/503195998.db2.gz RTMMPSZKTMGESA-KSSFIOAISA-N 0 3 361.438 3.021 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)CN(C)C(C)C ZINC000514894482 503220392 /nfs/dbraw/zinc/22/03/92/503220392.db2.gz PDWJBUUIACBWHP-MRXNPFEDSA-N 0 3 359.514 3.322 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H]2CCCC[C@H]2OC(F)F)c(C#N)c1C ZINC000502564367 503226804 /nfs/dbraw/zinc/22/68/04/503226804.db2.gz VCAITMGUPMZUDH-LERXQTSPSA-N 0 3 355.385 3.235 20 30 FGEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000507085824 503227739 /nfs/dbraw/zinc/22/77/39/503227739.db2.gz FZTABVSYNWAVSL-HXUWFJFHSA-N 0 3 359.470 3.257 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCC[C@H]2CCO)c1C#N ZINC000502855148 503289765 /nfs/dbraw/zinc/28/97/65/503289765.db2.gz JPSSBWQANFKPDT-LPHOPBHVSA-N 0 3 372.513 3.171 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503488762 503420258 /nfs/dbraw/zinc/42/02/58/503420258.db2.gz OOTKVUMYEIBEFF-CYBMUJFWSA-N 0 3 369.918 3.000 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@@]2(C)CO)ccc1Cl ZINC000493553477 503433330 /nfs/dbraw/zinc/43/33/30/503433330.db2.gz VTCDSKYEVKFMMZ-MJGOQNOKSA-N 0 3 363.889 3.036 20 30 FGEDHN COCCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000593071527 506374560 /nfs/dbraw/zinc/37/45/60/506374560.db2.gz ZGWIBGFKLZCUNI-JKSUJKDBSA-N 0 3 370.371 3.285 20 30 FGEDHN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000582705913 506375000 /nfs/dbraw/zinc/37/50/00/506375000.db2.gz ISZLNOLBNGONLA-AVRDEDQJSA-N 0 3 350.462 3.295 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000508482319 503503066 /nfs/dbraw/zinc/50/30/66/503503066.db2.gz CUZMVXXRYUVMRR-BBWFWOEESA-N 0 3 355.482 3.189 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N1CCN(CC(C)C)CC1 ZINC000508490063 503504510 /nfs/dbraw/zinc/50/45/10/503504510.db2.gz AQDFHCAGUIHVTR-UHFFFAOYSA-N 0 3 373.932 3.486 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)NCC2(CC#N)CC2)N(C)C)cc1 ZINC000504105273 503523978 /nfs/dbraw/zinc/52/39/78/503523978.db2.gz XKYQAQWCMYHFLH-IBGZPJMESA-N 0 3 356.514 3.481 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)NCC2(CC#N)CC2)N(C)C)cc1 ZINC000504105277 503524012 /nfs/dbraw/zinc/52/40/12/503524012.db2.gz XKYQAQWCMYHFLH-LJQANCHMSA-N 0 3 356.514 3.481 20 30 FGEDHN COc1cc2c(cc1F)CC[C@H]2NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000512340800 503524139 /nfs/dbraw/zinc/52/41/39/503524139.db2.gz CSBPXZNUTRWXGD-VQIMIIECSA-N 0 3 363.392 3.192 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508715935 503549330 /nfs/dbraw/zinc/54/93/30/503549330.db2.gz QCQSYOBJCLNDOJ-IRXDYDNUSA-N 0 3 373.545 3.057 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN(CCO)[C@H]1CCc2ccccc21 ZINC000494545786 503561164 /nfs/dbraw/zinc/56/11/64/503561164.db2.gz XMHNYBDAYZKRQZ-IRLDBZIGSA-N 0 3 367.489 3.137 20 30 FGEDHN CN(C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 ZINC000504615026 503596318 /nfs/dbraw/zinc/59/63/18/503596318.db2.gz QJZDOUDCCVVSDX-LJQANCHMSA-N 0 3 351.425 3.148 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000494881520 503628543 /nfs/dbraw/zinc/62/85/43/503628543.db2.gz WUKNZKMUBZLMCU-UXHICEINSA-N 0 3 359.514 3.446 20 30 FGEDHN CC[C@@]1(O)CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000495220194 503702994 /nfs/dbraw/zinc/70/29/94/503702994.db2.gz FAHHPQLHYSZEHF-JOCHJYFZSA-N 0 3 366.461 3.493 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000536740931 503705785 /nfs/dbraw/zinc/70/57/85/503705785.db2.gz ZYLKIIZVQZOCBA-AWEZNQCLSA-N 0 3 351.853 3.248 20 30 FGEDHN C=CCNC(=O)CN(Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@H]1C ZINC000536744140 503709342 /nfs/dbraw/zinc/70/93/42/503709342.db2.gz NKOSOKWWDHOIKE-SJLPKXTDSA-N 0 3 360.498 3.387 20 30 FGEDHN C=CCOc1ccccc1CN[C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000546660005 503827718 /nfs/dbraw/zinc/82/77/18/503827718.db2.gz DPEFKNBXZMEVNN-MRXNPFEDSA-N 0 3 364.445 3.416 20 30 FGEDHN CC1(C)C[C@@H](NC[C@@H](O)COc2ccccc2C#N)c2ccc(F)cc2O1 ZINC000530230882 503883056 /nfs/dbraw/zinc/88/30/56/503883056.db2.gz CXYCFSBPBHMVNW-SJLPKXTDSA-N 0 3 370.424 3.329 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000530240712 503889785 /nfs/dbraw/zinc/88/97/85/503889785.db2.gz GNMDQCZRBYTTCO-FXAWDEMLSA-N 0 3 356.853 3.423 20 30 FGEDHN CC(C)(CNC(=O)N1CCC(CC#N)CC1)N1CCc2ccccc2C1 ZINC000543820985 503905937 /nfs/dbraw/zinc/90/59/37/503905937.db2.gz NLIWIEOTNJLWBS-UHFFFAOYSA-N 0 3 354.498 3.159 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000518099012 503908851 /nfs/dbraw/zinc/90/88/51/503908851.db2.gz OHHMMHGVSSJYAR-UHFFFAOYSA-N 0 3 372.513 3.499 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C1CCOCC1)C(C)C ZINC000537565187 503956646 /nfs/dbraw/zinc/95/66/46/503956646.db2.gz BCCFQOXWEOAXQF-WOJBJXKFSA-N 0 3 363.546 3.286 20 30 FGEDHN N#CCc1ccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000544069473 503995413 /nfs/dbraw/zinc/99/54/13/503995413.db2.gz VHAMODVNVCAKGB-UHFFFAOYSA-N 0 3 351.425 3.286 20 30 FGEDHN CC(=O)Nc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccc1F ZINC000518507831 504004499 /nfs/dbraw/zinc/00/44/99/504004499.db2.gz RXOGBQGSKKRKGG-CYBMUJFWSA-N 0 3 350.353 3.161 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2cc(C)[nH]n2)CC1 ZINC000541120624 504015837 /nfs/dbraw/zinc/01/58/37/504015837.db2.gz RMKHIZXKHQOFJQ-LJQANCHMSA-N 0 3 355.482 3.066 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2cc(C)n[nH]2)CC1 ZINC000541120624 504015842 /nfs/dbraw/zinc/01/58/42/504015842.db2.gz RMKHIZXKHQOFJQ-LJQANCHMSA-N 0 3 355.482 3.066 20 30 FGEDHN CN(CCN1CCN(Cc2ccc(CC#N)cc2)CC1)Cc1ccccc1 ZINC000544144907 504026659 /nfs/dbraw/zinc/02/66/59/504026659.db2.gz FSSPZWRSUGOWKQ-UHFFFAOYSA-N 0 3 362.521 3.002 20 30 FGEDHN N#Cc1csc(CNC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000530640340 504035751 /nfs/dbraw/zinc/03/57/51/504035751.db2.gz UJSFMTWTVNLSRM-SFHVURJKSA-N 0 3 361.898 3.436 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528288277 504150034 /nfs/dbraw/zinc/15/00/34/504150034.db2.gz MHUNABKTZRTFQL-NJYVYQBISA-N 0 3 366.509 3.485 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000534470375 504150769 /nfs/dbraw/zinc/15/07/69/504150769.db2.gz KTIYSHLWHLNKMP-SFHVURJKSA-N 0 3 354.498 3.234 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528448032 504228645 /nfs/dbraw/zinc/22/86/45/504228645.db2.gz JVGINBOBGCKXJR-UHFFFAOYSA-N 0 3 359.214 3.108 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000547837540 504243715 /nfs/dbraw/zinc/24/37/15/504243715.db2.gz NIMRTHUTJZQFNA-JOCHJYFZSA-N 0 3 361.445 3.408 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000519589081 504265032 /nfs/dbraw/zinc/26/50/32/504265032.db2.gz ZGDYATMAZCLFPQ-UXHICEINSA-N 0 3 357.885 3.225 20 30 FGEDHN N#CC(C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccncn1 ZINC000544815100 504268285 /nfs/dbraw/zinc/26/82/85/504268285.db2.gz WZJXUWWQBMTDIO-OAHLLOKOSA-N 0 3 355.357 3.412 20 30 FGEDHN CCN(C(=O)COc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544848304 504279681 /nfs/dbraw/zinc/27/96/81/504279681.db2.gz RBAYEMGHCPLHFK-FQEVSTJZSA-N 0 3 363.461 3.060 20 30 FGEDHN CN(C)CCOc1ccc(-c2noc(COc3ccccc3C#N)n2)cc1 ZINC000544972476 504316149 /nfs/dbraw/zinc/31/61/49/504316149.db2.gz NUGGVXZHSYIGIL-UHFFFAOYSA-N 0 3 364.405 3.128 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)C2=O)cc1 ZINC000519806220 504346375 /nfs/dbraw/zinc/34/63/75/504346375.db2.gz DDDJJVVWHYIWLV-WOZUAGRISA-N 0 3 367.493 3.069 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCN(c3cccc4[nH]ccc43)CC2)c1 ZINC000528761706 504368554 /nfs/dbraw/zinc/36/85/54/504368554.db2.gz MFFGMEGMKSQRHP-UHFFFAOYSA-N 0 3 373.460 3.190 20 30 FGEDHN N#Cc1ccc(C2(NC[C@@H](O)c3c(F)cccc3F)CCOCC2)cc1 ZINC000528785479 504379296 /nfs/dbraw/zinc/37/92/96/504379296.db2.gz WWWISRRKEMVBOJ-GOSISDBHSA-N 0 3 358.388 3.165 20 30 FGEDHN CN1C(=O)COc2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc21 ZINC000529011704 504494411 /nfs/dbraw/zinc/49/44/11/504494411.db2.gz YGBOZHOWRXXQPV-LBPRGKRZSA-N 0 3 369.446 3.286 20 30 FGEDHN CN1C(=O)COc2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc21 ZINC000529011704 504494417 /nfs/dbraw/zinc/49/44/17/504494417.db2.gz YGBOZHOWRXXQPV-LBPRGKRZSA-N 0 3 369.446 3.286 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](CC)c1c(C)nn(C)c1C ZINC000542521297 504523447 /nfs/dbraw/zinc/52/34/47/504523447.db2.gz BPTNAHITBICQIM-MOPGFXCFSA-N 0 3 357.498 3.246 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000520632141 504545750 /nfs/dbraw/zinc/54/57/50/504545750.db2.gz IENKXTFJPSLNTG-FQEVSTJZSA-N 0 3 353.466 3.354 20 30 FGEDHN COCc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000529219414 504589547 /nfs/dbraw/zinc/58/95/47/504589547.db2.gz WZFIUNQCMVSMTD-FQEVSTJZSA-N 0 3 364.449 3.101 20 30 FGEDHN C[C@@H](NCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539607701 504624954 /nfs/dbraw/zinc/62/49/54/504624954.db2.gz XWLXEGRSJAEPEO-QGZVFWFLSA-N 0 3 352.457 3.170 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000542880807 504644279 /nfs/dbraw/zinc/64/42/79/504644279.db2.gz VPYJKSLNMWECBP-GCKMJXCFSA-N 0 3 367.497 3.274 20 30 FGEDHN CCO[C@H]1COCC[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000546054970 504690761 /nfs/dbraw/zinc/69/07/61/504690761.db2.gz BQFPTCZMFRWOMV-VXKWHMMOSA-N 0 3 366.461 3.421 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](NCc3ccc(C#N)cc3F)C2)c1 ZINC000532568336 504694083 /nfs/dbraw/zinc/69/40/83/504694083.db2.gz KGBFDYFTNPBBSQ-INIZCTEOSA-N 0 3 355.413 3.083 20 30 FGEDHN CN(C)C[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000521285867 504701723 /nfs/dbraw/zinc/70/17/23/504701723.db2.gz XFDYRPCGOLEGHO-KRWDZBQOSA-N 0 3 371.868 3.052 20 30 FGEDHN CCCN(CCC)C(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000546154382 504729269 /nfs/dbraw/zinc/72/92/69/504729269.db2.gz WLOVFOZBGNGSEJ-KRWDZBQOSA-N 0 3 350.422 3.229 20 30 FGEDHN CN(C)C[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000549617271 504860921 /nfs/dbraw/zinc/86/09/21/504860921.db2.gz ICWAMBYZYDBSQN-HNNXBMFYSA-N 0 3 363.248 3.293 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1 ZINC000562566529 504861536 /nfs/dbraw/zinc/86/15/36/504861536.db2.gz QWEMDNHSUMSQMS-UHFFFAOYSA-N 0 3 364.497 3.313 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)[C@H](C)CO)cc1OCC ZINC000565390218 504872459 /nfs/dbraw/zinc/87/24/59/504872459.db2.gz JFSVWQSVCFJIMV-GFCCVEGCSA-N 0 3 358.276 3.225 20 30 FGEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000549692032 504874743 /nfs/dbraw/zinc/87/47/43/504874743.db2.gz CZYVALAOQJWIKC-RCCFBDPRSA-N 0 3 359.518 3.016 20 30 FGEDHN Cc1nsc(NCCCCN2CCN(c3ccccc3)CC2)c1C#N ZINC000553294598 504875257 /nfs/dbraw/zinc/87/52/57/504875257.db2.gz CVRVQHUYAOFQRU-UHFFFAOYSA-N 0 3 355.511 3.338 20 30 FGEDHN C=CC[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(I)cc1 ZINC000556607665 504919496 /nfs/dbraw/zinc/91/94/96/504919496.db2.gz APNHEWLHWXPQCF-NEPJUHHUSA-N 0 3 372.250 3.420 20 30 FGEDHN C[C@H](Cn1cc(Br)ccc1=O)NC1(c2cccc(C#N)c2)CC1 ZINC000559916479 504949952 /nfs/dbraw/zinc/94/99/52/504949952.db2.gz RJABXAATPKDYSJ-CYBMUJFWSA-N 0 3 372.266 3.150 20 30 FGEDHN COc1ccccc1SC[C@H](C)CNCc1cnc2c(C#N)cnn2c1 ZINC000556769146 504968730 /nfs/dbraw/zinc/96/87/30/504968730.db2.gz AVDUMBWRWDQRBZ-CQSZACIVSA-N 0 3 367.478 3.128 20 30 FGEDHN COc1ccc([C@H](C)NCc2cnc3ccc(C#N)cn23)c(C)c1OC ZINC000565801747 504991470 /nfs/dbraw/zinc/99/14/70/504991470.db2.gz SIPOKOODCULFRF-AWEZNQCLSA-N 0 3 350.422 3.382 20 30 FGEDHN COc1ccc(Oc2ccc(CCNC(=O)[C@H](N)CCCC#N)cc2)cc1 ZINC000563207290 505076772 /nfs/dbraw/zinc/07/67/72/505076772.db2.gz PFTYKVBLCNDNNQ-HXUWFJFHSA-N 0 3 367.449 3.167 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccccc2OC2CCC2)cc1 ZINC000566117666 505087627 /nfs/dbraw/zinc/08/76/27/505087627.db2.gz PHIHDODFHCMHSG-LJQANCHMSA-N 0 3 366.461 3.213 20 30 FGEDHN C=CCN(C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000557219334 505095268 /nfs/dbraw/zinc/09/52/68/505095268.db2.gz RCUSCOXENWPMJK-CYBMUJFWSA-N 0 3 360.679 3.493 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000557537889 505160689 /nfs/dbraw/zinc/16/06/89/505160689.db2.gz KCFFZYIPGKSHQM-BBRMVZONSA-N 0 3 351.410 3.296 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000563514428 505163357 /nfs/dbraw/zinc/16/33/57/505163357.db2.gz YZTJMXKNHHBZQO-GOSISDBHSA-N 0 3 364.449 3.300 20 30 FGEDHN C[C@H]1CN(CCCCNc2nc3cc(Cl)ccn3c2C#N)C[C@H](C)O1 ZINC000557607764 505181584 /nfs/dbraw/zinc/18/15/84/505181584.db2.gz VXKBOHWXQOFPLX-KBPBESRZSA-N 0 3 361.877 3.161 20 30 FGEDHN C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000551267608 505189739 /nfs/dbraw/zinc/18/97/39/505189739.db2.gz FVUPSJYSCOKUPZ-STQMWFEESA-N 0 3 360.255 3.222 20 30 FGEDHN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)C(C)C#N)C1 ZINC000557676769 505200515 /nfs/dbraw/zinc/20/05/15/505200515.db2.gz MFVDKBAFPDKVJO-DZGCQCFKSA-N 0 3 364.287 3.311 20 30 FGEDHN CSC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CCN(C)CC1 ZINC000566707799 505249876 /nfs/dbraw/zinc/24/98/76/505249876.db2.gz ZATDLCLITLZQLF-UHFFFAOYSA-N 0 3 352.891 3.161 20 30 FGEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(F)c2ccccc21 ZINC000561387637 505332757 /nfs/dbraw/zinc/33/27/57/505332757.db2.gz WXGWATHCZJCOJS-OAHLLOKOSA-N 0 3 352.413 3.285 20 30 FGEDHN CCc1ccc([C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)cc1 ZINC000564147419 505338241 /nfs/dbraw/zinc/33/82/41/505338241.db2.gz IIXSXPDNLSKYCO-HXUWFJFHSA-N 0 3 371.506 3.276 20 30 FGEDHN CN(C)CCOc1ccc(-c2noc(Cc3c(F)cccc3C#N)n2)cc1 ZINC000564227073 505357315 /nfs/dbraw/zinc/35/73/15/505357315.db2.gz CNQWDHXLKLZSKA-UHFFFAOYSA-N 0 3 366.396 3.279 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000555240899 505388816 /nfs/dbraw/zinc/38/88/16/505388816.db2.gz FAHZXHSLUWCEGO-KRWDZBQOSA-N 0 3 355.486 3.487 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000562153527 505528771 /nfs/dbraw/zinc/52/87/71/505528771.db2.gz KWPWXRGFSONAEX-RDJZCZTQSA-N 0 3 356.470 3.436 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000564849094 505538883 /nfs/dbraw/zinc/53/88/83/505538883.db2.gz JBWJZDCWDNCVQZ-NNWRFLSQSA-N 0 3 366.461 3.116 20 30 FGEDHN CN1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000552804362 505557497 /nfs/dbraw/zinc/55/74/97/505557497.db2.gz CSQMCWCEYXKRCU-VXKWHMMOSA-N 0 3 361.489 3.144 20 30 FGEDHN C[C@](C#N)(NC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000564965692 505564030 /nfs/dbraw/zinc/56/40/30/505564030.db2.gz JUDJHTLQOAURNZ-UYAOXDASSA-N 0 3 357.523 3.193 20 30 FGEDHN CCOc1ccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599253280 506387037 /nfs/dbraw/zinc/38/70/37/506387037.db2.gz GVBUGBUWNRHUNN-QUCCMNQESA-N 0 3 358.482 3.294 20 30 FGEDHN N#Cc1cc2c(nc1NCc1ccc(CN3CC[C@@H](O)C3)cc1)CCCC2 ZINC000596425513 506400539 /nfs/dbraw/zinc/40/05/39/506400539.db2.gz ZHKRKBMUMBEPIH-HXUWFJFHSA-N 0 3 362.477 3.011 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN(CCc1ccc(F)cc1)C1CC1 ZINC000599295208 506401362 /nfs/dbraw/zinc/40/13/62/506401362.db2.gz ZIFYZRKLANRJLA-HXUWFJFHSA-N 0 3 354.425 3.144 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)CCOCC1 ZINC000599313138 506408499 /nfs/dbraw/zinc/40/84/99/506408499.db2.gz FWKHMBQHUZFGBD-IAGOWNOFSA-N 0 3 369.465 3.079 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)CCOCC1 ZINC000599313140 506409049 /nfs/dbraw/zinc/40/90/49/506409049.db2.gz FWKHMBQHUZFGBD-SJORKVTESA-N 0 3 369.465 3.079 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000599347676 506420290 /nfs/dbraw/zinc/42/02/90/506420290.db2.gz HUVTVKATJHYGIY-CZUORRHYSA-N 0 3 362.376 3.250 20 30 FGEDHN CC(C)(NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(Cl)c1F ZINC000599372867 506432594 /nfs/dbraw/zinc/43/25/94/506432594.db2.gz OBMBJZAXXSSPFY-CYBMUJFWSA-N 0 3 354.853 3.375 20 30 FGEDHN CCOC(=O)[C@@H](CC(C)C)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593183672 506447304 /nfs/dbraw/zinc/44/73/04/506447304.db2.gz GGPWHMAGBZPZOO-HXUWFJFHSA-N 0 3 357.498 3.090 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]2Cc2cc(F)ccc2F)CCOCC1 ZINC000599439330 506456534 /nfs/dbraw/zinc/45/65/34/506456534.db2.gz OLKDIHWLBCKOCA-MSOLQXFVSA-N 0 3 364.436 3.043 20 30 FGEDHN N#CC(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1nnc2n1CCCCC2 ZINC000582923214 506490616 /nfs/dbraw/zinc/49/06/16/506490616.db2.gz RNUPJWIGEUSBRD-NSHDSACASA-N 0 3 370.363 3.308 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593245114 506491996 /nfs/dbraw/zinc/49/19/96/506491996.db2.gz SEOFDBUZOKMAJO-AWEZNQCLSA-N 0 3 365.330 3.134 20 30 FGEDHN Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C[C@@H](O)CN(C)C1CC1 ZINC000589256249 506498428 /nfs/dbraw/zinc/49/84/28/506498428.db2.gz YCEXCCHGQMHCDU-NRFANRHFSA-N 0 3 367.468 3.468 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000596657228 506514571 /nfs/dbraw/zinc/51/45/71/506514571.db2.gz KEEYRUXEAXTAJK-QGZVFWFLSA-N 0 3 360.458 3.165 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCC1(C#N)CCCC1)c1cccc(OC)c1 ZINC000593302564 506525941 /nfs/dbraw/zinc/52/59/41/506525941.db2.gz RADDGDWFSFJMOX-LJQANCHMSA-N 0 3 372.513 3.461 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000583007956 506537954 /nfs/dbraw/zinc/53/79/54/506537954.db2.gz VQQKCOOHAFWLED-CBZIJGRNSA-N 0 3 363.527 3.164 20 30 FGEDHN N#CC1(CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000593331300 506548186 /nfs/dbraw/zinc/54/81/86/506548186.db2.gz XEVBIVUEPUTWRB-IBGZPJMESA-N 0 3 354.498 3.282 20 30 FGEDHN CSCC1(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000596731230 506565921 /nfs/dbraw/zinc/56/59/21/506565921.db2.gz AMJFJEQBSOMGPQ-UHFFFAOYSA-N 0 3 374.554 3.165 20 30 FGEDHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000603589966 506567097 /nfs/dbraw/zinc/56/70/97/506567097.db2.gz VOJZAXDITONUPF-CQSZACIVSA-N 0 3 353.422 3.034 20 30 FGEDHN N#CCc1cccc2c1CCN(CCC(=O)N1CCCc3ccccc31)C2 ZINC000599677615 506574212 /nfs/dbraw/zinc/57/42/12/506574212.db2.gz IIZKZHUMQSKODX-UHFFFAOYSA-N 0 3 359.473 3.480 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593370276 506580252 /nfs/dbraw/zinc/58/02/52/506580252.db2.gz KNVDNTKKSHRURX-HTAPYJJXSA-N 0 3 374.488 3.494 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)CN1Cc1ccccc1 ZINC000593374845 506583624 /nfs/dbraw/zinc/58/36/24/506583624.db2.gz LTPJFBUNKAEYSK-UZLBHIALSA-N 0 3 360.461 3.246 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000593397789 506599575 /nfs/dbraw/zinc/59/95/75/506599575.db2.gz SHQMFCBIAUAPPH-SFHVURJKSA-N 0 3 360.461 3.106 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000596802684 506606843 /nfs/dbraw/zinc/60/68/43/506606843.db2.gz DEVSRBHCWPHCFA-UHFFFAOYSA-N 0 3 363.465 3.295 20 30 FGEDHN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000589648550 506621197 /nfs/dbraw/zinc/62/11/97/506621197.db2.gz YPVPDOJWCYBTSY-IBGZPJMESA-N 0 3 364.497 3.146 20 30 FGEDHN Cc1nsc(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)c1C#N ZINC000583190033 506639632 /nfs/dbraw/zinc/63/96/32/506639632.db2.gz BZYIEGPSVWKMEA-GHMZBOCLSA-N 0 3 360.405 3.171 20 30 FGEDHN CN(CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000593535626 506674945 /nfs/dbraw/zinc/67/49/45/506674945.db2.gz AOOAAQXEGQTUOZ-UHFFFAOYSA-N 0 3 363.527 3.031 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC1(C#N)CC1 ZINC000590188369 506761132 /nfs/dbraw/zinc/76/11/32/506761132.db2.gz XPJCYYPEJRDJOR-UHFFFAOYSA-N 0 3 364.287 3.033 20 30 FGEDHN N#Cc1ccc(OCC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000609018312 506764038 /nfs/dbraw/zinc/76/40/38/506764038.db2.gz TVQHFVDQQATBKE-OAQYLSRUSA-N 0 3 363.461 3.280 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(C#N)cc2F)[C@H](C(F)(F)F)C1 ZINC000590220499 506767104 /nfs/dbraw/zinc/76/71/04/506767104.db2.gz FGGFAOQUYCICDT-ZIAGYGMSSA-N 0 3 371.378 3.222 20 30 FGEDHN CCN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000612837420 506773382 /nfs/dbraw/zinc/77/33/82/506773382.db2.gz RKNOBNUKMRMXNZ-NRFANRHFSA-N 0 3 362.477 3.093 20 30 FGEDHN COc1cccc([C@@H](CNC(=O)C(C#N)CCc2ccccc2)OC)c1 ZINC000600166083 506817096 /nfs/dbraw/zinc/81/70/96/506817096.db2.gz VPNNVFZUMGITBW-AZUAARDMSA-N 0 3 352.434 3.271 20 30 FGEDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@@H]2C1 ZINC000590445639 506826652 /nfs/dbraw/zinc/82/66/52/506826652.db2.gz QFZNEZWUGKXNJT-HNAYVOBHSA-N 0 3 365.408 3.266 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000609338451 506858533 /nfs/dbraw/zinc/85/85/33/506858533.db2.gz IIDLSVNMZQQSKE-QZTJIDSGSA-N 0 3 354.425 3.121 20 30 FGEDHN C=CCN(CCOc1cccc(C#N)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431514 506879958 /nfs/dbraw/zinc/87/99/58/506879958.db2.gz AYBPGTSVLKGOJK-KRWDZBQOSA-N 0 3 374.448 3.162 20 30 FGEDHN N#C[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC12CCCC2 ZINC000590626090 506887294 /nfs/dbraw/zinc/88/72/94/506887294.db2.gz LBUAADTWARRRTK-SIKLNZKXSA-N 0 3 351.494 3.489 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)Nc3cc(N)ccc3F)CCC2)cc1 ZINC000594033062 506897835 /nfs/dbraw/zinc/89/78/35/506897835.db2.gz GOPCHDXSOZWGLA-UHFFFAOYSA-N 0 3 352.413 3.277 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000609566937 506923117 /nfs/dbraw/zinc/92/31/17/506923117.db2.gz ZPMJVOIPUDJFFL-QGZVFWFLSA-N 0 3 363.461 3.453 20 30 FGEDHN C=CCOc1cccc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000604769188 506934537 /nfs/dbraw/zinc/93/45/37/506934537.db2.gz KUXSWWPWROMOAZ-HSZRJFAPSA-N 0 3 366.505 3.368 20 30 FGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc2ccccc2n1CC#N ZINC000590767693 506944176 /nfs/dbraw/zinc/94/41/76/506944176.db2.gz BLKAWULLQFSOKG-SFHVURJKSA-N 0 3 352.482 3.405 20 30 FGEDHN CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597426252 506947204 /nfs/dbraw/zinc/94/72/04/506947204.db2.gz DBAACOKSHWHHKM-UHFFFAOYSA-N 0 3 364.497 3.005 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000583743344 506948423 /nfs/dbraw/zinc/94/84/23/506948423.db2.gz IDWVSSUNRFZFCF-AZUAARDMSA-N 0 3 368.868 3.185 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CC[C@H](Cc4ccncc4)C3)C2=O)cc1 ZINC000613179260 506955629 /nfs/dbraw/zinc/95/56/29/506955629.db2.gz RMXJFTSOEOUCNA-CTNGQTDRSA-N 0 3 360.461 3.013 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000594226267 507022853 /nfs/dbraw/zinc/02/28/53/507022853.db2.gz JRCQOQMFUGLJIF-HXUWFJFHSA-N 0 3 374.488 3.496 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CN1Cc1ccccc1 ZINC000594227730 507024318 /nfs/dbraw/zinc/02/43/18/507024318.db2.gz DBYOZQBHNOWMGQ-KKSFZXQISA-N 0 3 360.461 3.246 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000590952986 507056864 /nfs/dbraw/zinc/05/68/64/507056864.db2.gz OGMBWLXPDLOLNU-GOSISDBHSA-N 0 3 350.422 3.173 20 30 FGEDHN N#Cc1ccc(CN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C2CC2)cc1 ZINC000594283995 507063316 /nfs/dbraw/zinc/06/33/16/507063316.db2.gz PNELQKGXQYEXON-WOJBJXKFSA-N 0 3 352.482 3.249 20 30 FGEDHN C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000613389658 507064732 /nfs/dbraw/zinc/06/47/32/507064732.db2.gz JKUUEZYNVNDBME-NJSLBKSFSA-N 0 3 371.868 3.293 20 30 FGEDHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000613389722 507065740 /nfs/dbraw/zinc/06/57/40/507065740.db2.gz LQGSPZSHYKAFQF-MXEBWMAGSA-N 0 3 371.525 3.060 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1C#N ZINC000597715589 507071674 /nfs/dbraw/zinc/07/16/74/507071674.db2.gz NJGYTWKNXZBQIS-HXUWFJFHSA-N 0 3 370.522 3.110 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000600715929 507078132 /nfs/dbraw/zinc/07/81/32/507078132.db2.gz DRPDDNNPXYLQPR-CZUORRHYSA-N 0 3 350.459 3.024 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccccc1N1CCCCC1 ZINC000600729547 507087368 /nfs/dbraw/zinc/08/73/68/507087368.db2.gz BCPMPCKAAUDBHO-FQEVSTJZSA-N 0 3 365.477 3.078 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCCc3sc(Cl)cc32)CCOCC1 ZINC000600739934 507093256 /nfs/dbraw/zinc/09/32/56/507093256.db2.gz RRARSQASUJZMFV-JSGCOSHPSA-N 0 3 354.903 3.440 20 30 FGEDHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000600748586 507098614 /nfs/dbraw/zinc/09/86/14/507098614.db2.gz OQEFLBZFBPVXCX-OALUTQOASA-N 0 3 354.475 3.114 20 30 FGEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000610134112 507111848 /nfs/dbraw/zinc/11/18/48/507111848.db2.gz GHFCBNBURQKDAT-RTBURBONSA-N 0 3 357.498 3.090 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594420396 507124259 /nfs/dbraw/zinc/12/42/59/507124259.db2.gz STUCEJYPUYPBLS-FUHWJXTLSA-N 0 3 370.522 3.299 20 30 FGEDHN COc1cccc2c1OCC[C@H]2NC(=O)C(C#N)CCc1ccccc1 ZINC000594419189 507124858 /nfs/dbraw/zinc/12/48/58/507124858.db2.gz ORJFCQVWKNMDFE-FUHWJXTLSA-N 0 3 350.418 3.408 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000594425999 507127732 /nfs/dbraw/zinc/12/77/32/507127732.db2.gz BUOCRKFCCJPRBS-HXUWFJFHSA-N 0 3 369.440 3.432 20 30 FGEDHN COc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)c2ccc(F)cc2)cc1 ZINC000594431691 507128583 /nfs/dbraw/zinc/12/85/83/507128583.db2.gz PSJFWAODJMEZEE-WOJBJXKFSA-N 0 3 369.440 3.451 20 30 FGEDHN COc1ccc(C2(CNC(=O)[C@@H](N)CCCCC#N)CCCCC2)cc1 ZINC000594431644 507129154 /nfs/dbraw/zinc/12/91/54/507129154.db2.gz PIFDWCMTMMCXEF-IBGZPJMESA-N 0 3 357.498 3.425 20 30 FGEDHN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594431926 507129649 /nfs/dbraw/zinc/12/96/49/507129649.db2.gz SROQJNLIUPSSHI-CRAIPNDOSA-N 0 3 370.497 3.217 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000594434583 507131411 /nfs/dbraw/zinc/13/14/11/507131411.db2.gz PPGSCHJGIGRJIC-OAHLLOKOSA-N 0 3 370.478 3.279 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000594437935 507132979 /nfs/dbraw/zinc/13/29/79/507132979.db2.gz LPGFRVULVZVNKW-QGZVFWFLSA-N 0 3 356.401 3.040 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000594438756 507133158 /nfs/dbraw/zinc/13/31/58/507133158.db2.gz LGRPARHUFXZRSK-WMZOPIPTSA-N 0 3 356.857 3.352 20 30 FGEDHN CC(C)c1nccn1Cc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594440238 507133719 /nfs/dbraw/zinc/13/37/19/507133719.db2.gz ALUUMGGTWDMKEK-SFHVURJKSA-N 0 3 353.470 3.405 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000594446373 507136881 /nfs/dbraw/zinc/13/68/81/507136881.db2.gz RWHZSLKDBCMQCX-HUUCEWRRSA-N 0 3 356.495 3.414 20 30 FGEDHN COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H](N)CCCCC#N)CC3)c2c1 ZINC000594454222 507140264 /nfs/dbraw/zinc/14/02/64/507140264.db2.gz UXLBBXOJQHMPHN-IBGZPJMESA-N 0 3 366.465 3.203 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000594452879 507141611 /nfs/dbraw/zinc/14/16/11/507141611.db2.gz KLQDYJDQNFRBPS-NVXWUHKLSA-N 0 3 363.889 3.369 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCCCS(=O)(=O)c2ccccc2)cc1 ZINC000594496551 507155427 /nfs/dbraw/zinc/15/54/27/507155427.db2.gz NFXROQXYJFIAFF-UHFFFAOYSA-N 0 3 356.491 3.441 20 30 FGEDHN CN(C)CCOc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000594499014 507155481 /nfs/dbraw/zinc/15/54/81/507155481.db2.gz APSBSUABQIADGS-UHFFFAOYSA-N 0 3 352.482 3.113 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)C[C@H]1C ZINC000584119919 507163318 /nfs/dbraw/zinc/16/33/18/507163318.db2.gz PJEHECRWJVBORZ-HUUCEWRRSA-N 0 3 350.470 3.071 20 30 FGEDHN N#Cc1cc(N[C@H]2CCCN3CCCC[C@H]23)nc2ccc([N+](=O)[O-])cc12 ZINC000594604039 507206898 /nfs/dbraw/zinc/20/68/98/507206898.db2.gz XCOZGNAAEJORHC-ZWKOTPCHSA-N 0 3 351.410 3.443 20 30 FGEDHN N#Cc1cc(N[C@@H]2CCCN3CCCC[C@H]23)nc2ccc([N+](=O)[O-])cc12 ZINC000594604037 507207736 /nfs/dbraw/zinc/20/77/36/507207736.db2.gz XCOZGNAAEJORHC-QZTJIDSGSA-N 0 3 351.410 3.443 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451275 507245484 /nfs/dbraw/zinc/24/54/84/507245484.db2.gz MBUMWJXITNBMJK-WOIUINJBSA-N 0 3 370.541 3.026 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000610451756 507246042 /nfs/dbraw/zinc/24/60/42/507246042.db2.gz HKTKDAITAQJKIQ-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C12CCC2 ZINC000594719116 507251187 /nfs/dbraw/zinc/25/11/87/507251187.db2.gz XOHXEDANMNWJGM-GBESFXJTSA-N 0 3 367.493 3.379 20 30 FGEDHN CO[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCOC1 ZINC000594950920 507328350 /nfs/dbraw/zinc/32/83/50/507328350.db2.gz KYHAUCKWMFBZBB-UNMCSNQZSA-N 0 3 366.461 3.278 20 30 FGEDHN CN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000584411139 507330504 /nfs/dbraw/zinc/33/05/04/507330504.db2.gz KVXQAJZLNBDYAF-RTBURBONSA-N 0 3 365.412 3.092 20 30 FGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000598262467 507349501 /nfs/dbraw/zinc/34/95/01/507349501.db2.gz KPLFGVPMPXIWHQ-SFHVURJKSA-N 0 3 357.498 3.344 20 30 FGEDHN CSc1ccc(OC[C@H](O)CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000591765914 507351779 /nfs/dbraw/zinc/35/17/79/507351779.db2.gz RJCHIQLDQSKZLR-OAHLLOKOSA-N 0 3 362.882 3.463 20 30 FGEDHN CCOc1ccc(OC[C@H](O)CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000591765942 507352164 /nfs/dbraw/zinc/35/21/64/507352164.db2.gz UJGBRVGPCHMAGU-MRXNPFEDSA-N 0 3 360.841 3.140 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000591768318 507354317 /nfs/dbraw/zinc/35/43/17/507354317.db2.gz XHTWDDFHEQBSCD-IIBYNOLFSA-N 0 3 372.415 3.438 20 30 FGEDHN C=CC[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595030761 507360812 /nfs/dbraw/zinc/36/08/12/507360812.db2.gz AJWQTMPZVOOHPV-WMLDXEAASA-N 0 3 352.456 3.093 20 30 FGEDHN CCCN1CC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000598342427 507385242 /nfs/dbraw/zinc/38/52/42/507385242.db2.gz NDTHIAKSPUICKT-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@H]1CN(CCCCNc2c(C#N)cnc3c(F)ccc(F)c32)C[C@H](C)O1 ZINC000610864593 507419577 /nfs/dbraw/zinc/41/95/77/507419577.db2.gz KIDKNWVWWQQRJQ-KBPBESRZSA-N 0 3 374.435 3.108 20 30 FGEDHN CC(C)(C)OC(=O)C1(CNC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000598497881 507456068 /nfs/dbraw/zinc/45/60/68/507456068.db2.gz ZNHOVWZNHSLSGB-QGZVFWFLSA-N 0 3 356.466 3.387 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(COc3ccccc3OC)o2)CC1 ZINC000592069289 507474845 /nfs/dbraw/zinc/47/48/45/507474845.db2.gz XWQVZAMUSDQIGI-UHFFFAOYSA-N 0 3 370.449 3.247 20 30 FGEDHN CC[C@H](NCc1ccc(C#N)cc1C)c1ccccc1OCC(=O)NC ZINC000614406873 507501344 /nfs/dbraw/zinc/50/13/44/507501344.db2.gz DOAWKCAYMWPBMC-IBGZPJMESA-N 0 3 351.450 3.232 20 30 FGEDHN CN(C[C@H](O)CC(C)(C)C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000598587019 507507785 /nfs/dbraw/zinc/50/77/85/507507785.db2.gz LRNWVYJGMDMNPK-XFBWCDHKSA-N 0 3 357.281 3.184 20 30 FGEDHN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598596076 507510163 /nfs/dbraw/zinc/51/01/63/507510163.db2.gz HNHHESXPUUDIRL-DZFGPLHGSA-N 0 3 372.557 3.223 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCOc2c(Br)cccc21 ZINC000598619255 507521638 /nfs/dbraw/zinc/52/16/38/507521638.db2.gz NAMHOJUFNLQYRH-RISCZKNCSA-N 0 3 353.260 3.163 20 30 FGEDHN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1(CO)CC=CC1 ZINC000592178055 507526062 /nfs/dbraw/zinc/52/60/62/507526062.db2.gz MCUCFJXQWXDTKY-GOSISDBHSA-N 0 3 361.873 3.093 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592182512 507526802 /nfs/dbraw/zinc/52/68/02/507526802.db2.gz CCAHYQMHEDICNY-QZTJIDSGSA-N 0 3 355.482 3.213 20 30 FGEDHN CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCc2ncsc2C1 ZINC000592189422 507532133 /nfs/dbraw/zinc/53/21/33/507532133.db2.gz UMEFXDZHPIVXGT-DNVCBOLYSA-N 0 3 362.543 3.157 20 30 FGEDHN N#CCN1CCC(N[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000611166891 507542513 /nfs/dbraw/zinc/54/25/13/507542513.db2.gz VREPWBDLGDYBEP-OAHLLOKOSA-N 0 3 352.251 3.153 20 30 FGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000598678557 507548976 /nfs/dbraw/zinc/54/89/76/507548976.db2.gz YVNHQGGXTVMFCA-PXNSSMCTSA-N 0 3 363.461 3.390 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCOc2ccc(Br)cc21 ZINC000598701492 507558142 /nfs/dbraw/zinc/55/81/42/507558142.db2.gz VSHPYLSWJJFRDR-OCCSQVGLSA-N 0 3 353.260 3.163 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000595594574 507581440 /nfs/dbraw/zinc/58/14/40/507581440.db2.gz GDSHOFBIMWAGRB-IUDNXUCKSA-N 0 3 372.435 3.127 20 30 FGEDHN CC(C)C[C@@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000611251485 507582176 /nfs/dbraw/zinc/58/21/76/507582176.db2.gz USPLVEJVGDJVOD-FUHWJXTLSA-N 0 3 367.415 3.495 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000611268204 507592069 /nfs/dbraw/zinc/59/20/69/507592069.db2.gz VXFGDRYAIWVEDP-SFHVURJKSA-N 0 3 359.477 3.302 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000611268203 507592713 /nfs/dbraw/zinc/59/27/13/507592713.db2.gz VXFGDRYAIWVEDP-GOSISDBHSA-N 0 3 359.477 3.302 20 30 FGEDHN CC(C)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000595632117 507603634 /nfs/dbraw/zinc/60/36/34/507603634.db2.gz CFKXPSSIMGQQPO-UHFFFAOYSA-N 0 3 352.394 3.320 20 30 FGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595661942 507617463 /nfs/dbraw/zinc/61/74/63/507617463.db2.gz DGZVTBYXVVJGNG-IBGZPJMESA-N 0 3 352.482 3.230 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@@H](CCO)c3ccccc3F)CC2)cc1 ZINC000592376503 507626535 /nfs/dbraw/zinc/62/65/35/507626535.db2.gz USDIUFLLGKYBQT-NRFANRHFSA-N 0 3 353.441 3.379 20 30 FGEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1OCC(=O)NC ZINC000611379903 507651369 /nfs/dbraw/zinc/65/13/69/507651369.db2.gz KNUCYFDELNLXDU-HNAYVOBHSA-N 0 3 351.450 3.485 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000611386642 507655657 /nfs/dbraw/zinc/65/56/57/507655657.db2.gz QDTBTJXQVGIDMZ-OXQOHEQNSA-N 0 3 366.461 3.386 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000607241137 507667558 /nfs/dbraw/zinc/66/75/58/507667558.db2.gz RCLRPIJSWZTJBF-IPMKNSEASA-N 0 3 363.546 3.262 20 30 FGEDHN C[C@@H](N[C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473596 507698033 /nfs/dbraw/zinc/69/80/33/507698033.db2.gz WRNWJZSCMFZAIS-VGOFRKELSA-N 0 3 367.468 3.375 20 30 FGEDHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595823073 507701820 /nfs/dbraw/zinc/70/18/20/507701820.db2.gz GBZOFCZRORPRIR-FQEVSTJZSA-N 0 3 362.477 3.413 20 30 FGEDHN CCO[C@@H](C)c1nc(CN2CCN(C[C@H](C)CCC#N)CC2)cs1 ZINC000602480776 507719918 /nfs/dbraw/zinc/71/99/18/507719918.db2.gz BVBBQLNPEAZODP-CVEARBPZSA-N 0 3 350.532 3.298 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccnc(OCC(F)(F)F)c1 ZINC000602511276 507731280 /nfs/dbraw/zinc/73/12/80/507731280.db2.gz OYBPLHQXBQRPHD-CYBMUJFWSA-N 0 3 357.376 3.211 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909724 507737639 /nfs/dbraw/zinc/73/76/39/507737639.db2.gz MXXCKUINPPQJPS-RWJFLNCRSA-N 0 3 373.541 3.198 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccc(C#N)n2)CC1 ZINC000602547089 507744485 /nfs/dbraw/zinc/74/44/85/507744485.db2.gz ZCRWEDTYJZXRBV-MRXNPFEDSA-N 0 3 367.472 3.085 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCCNc1ncc(Cl)cc1Cl ZINC000602556439 507747738 /nfs/dbraw/zinc/74/77/38/507747738.db2.gz UDFXEKGQSVRNFI-GFCCVEGCSA-N 0 3 357.285 3.489 20 30 FGEDHN N#Cc1ccc([C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106394 600597004 /nfs/dbraw/zinc/59/70/04/600597004.db2.gz LZTJHKMELIVOMI-TZIWHRDSSA-N 0 3 363.461 3.186 20 30 FGEDHN N#Cc1ccc([C@@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106394 600597006 /nfs/dbraw/zinc/59/70/06/600597006.db2.gz LZTJHKMELIVOMI-TZIWHRDSSA-N 0 3 363.461 3.186 20 30 FGEDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820121599 607059801 /nfs/dbraw/zinc/05/98/01/607059801.db2.gz RFKMRLLIABXYHR-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820121599 607059803 /nfs/dbraw/zinc/05/98/03/607059803.db2.gz RFKMRLLIABXYHR-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820121599 607059805 /nfs/dbraw/zinc/05/98/05/607059805.db2.gz RFKMRLLIABXYHR-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820121599 607059807 /nfs/dbraw/zinc/05/98/07/607059807.db2.gz RFKMRLLIABXYHR-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN C=CCCC[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894649 608402184 /nfs/dbraw/zinc/40/21/84/608402184.db2.gz VMOQECTWYJSSQI-OAHLLOKOSA-N 0 3 368.485 3.262 20 30 FGEDHN C=CCCC[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823894649 608402187 /nfs/dbraw/zinc/40/21/87/608402187.db2.gz VMOQECTWYJSSQI-OAHLLOKOSA-N 0 3 368.485 3.262 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000113651920 700573626 /nfs/dbraw/zinc/57/36/26/700573626.db2.gz SEKPORVLZBTQIO-WCQYABFASA-N 0 3 354.809 3.262 20 30 FGEDHN N#CC(C(=O)CCCc1ccccc1Br)C(=O)N1CCCC1 ZINC000131928927 700821808 /nfs/dbraw/zinc/82/18/08/700821808.db2.gz KDRGEPPTUGPJFN-AWEZNQCLSA-N 0 3 363.255 3.103 20 30 FGEDHN C#C[C@@H](OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000152855132 704976008 /nfs/dbraw/zinc/97/60/08/704976008.db2.gz KBYHXEALXFNZTE-IUODEOHRSA-N 0 3 352.217 3.301 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000156509847 705120207 /nfs/dbraw/zinc/12/02/07/705120207.db2.gz NXHMZQVZSMROOX-UHFFFAOYSA-N 0 3 355.663 3.386 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2c(s1)CCOC2 ZINC000171402134 705383295 /nfs/dbraw/zinc/38/32/95/705383295.db2.gz GRHGSBMNZKFMTQ-ZDUSSCGKSA-N 0 3 360.822 3.435 20 30 FGEDHN CCc1noc(CC)c1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000178084085 705652983 /nfs/dbraw/zinc/65/29/83/705652983.db2.gz GDTPALIGVVVALJ-CQSZACIVSA-N 0 3 359.813 3.343 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(OCC#N)cc1 ZINC000180539751 705745917 /nfs/dbraw/zinc/74/59/17/705745917.db2.gz IKHZZSZHAYOVKY-GJZGRUSLSA-N 0 3 358.463 3.404 20 30 FGEDHN C=C(Br)CNC1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189149869 712787613 /nfs/dbraw/zinc/78/76/13/712787613.db2.gz QWPHUNSMIBPMJE-UHFFFAOYSA-N 0 3 363.255 3.092 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000193380713 712889134 /nfs/dbraw/zinc/88/91/34/712889134.db2.gz FDZDKCLPQQTQQT-ZIAGYGMSSA-N 0 3 350.846 3.431 20 30 FGEDHN CCC[C@@H](NCc1ccc(C#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000236913015 713585690 /nfs/dbraw/zinc/58/56/90/713585690.db2.gz UTXXFIXZMKWEGS-GOSISDBHSA-N 0 3 353.491 3.463 20 30 FGEDHN C[C@@]1(NCC(=O)N(CCC#N)c2cccc(Cl)c2)CCO[C@@H]1C1CC1 ZINC000374596187 713933182 /nfs/dbraw/zinc/93/31/82/713933182.db2.gz QCHDCBDGSSAOCS-RTBURBONSA-N 0 3 361.873 3.134 20 30 FGEDHN C#CCSCCN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779117174 724391920 /nfs/dbraw/zinc/39/19/20/724391920.db2.gz QAHJWUDZNKXJAJ-FQEVSTJZSA-N 0 3 373.543 3.444 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780305521 724457069 /nfs/dbraw/zinc/45/70/69/724457069.db2.gz KJFGXQBFMDIRBQ-ABHRYQDASA-N 0 3 366.389 3.074 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000652311066 718931040 /nfs/dbraw/zinc/93/10/40/718931040.db2.gz NPMAORIQWMFIJG-IAGOWNOFSA-N 0 3 363.527 3.308 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccccc2Br)nc1C ZINC000655778910 719338841 /nfs/dbraw/zinc/33/88/41/719338841.db2.gz WXVJSICTEULCNZ-WBVHZDCISA-N 0 3 362.271 3.376 20 30 FGEDHN CC(C)C(=O)N1CCC[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417133 722468298 /nfs/dbraw/zinc/46/82/98/722468298.db2.gz LCCAIEHJMAGAJW-GXTWGEPZSA-N 0 3 359.426 3.259 20 30 FGEDHN C#CCN(CC#CC)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000745293292 722585476 /nfs/dbraw/zinc/58/54/76/722585476.db2.gz OXEUEZQJTGTEAX-GOSISDBHSA-N 0 3 357.523 3.189 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000750687883 722777569 /nfs/dbraw/zinc/77/75/69/722777569.db2.gz QEWKAJRPZYIKHX-OTYXRUKQSA-N 0 3 365.220 3.178 20 30 FGEDHN C[C@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000755199086 722951280 /nfs/dbraw/zinc/95/12/80/722951280.db2.gz JEUYWEJEHKXLRI-ZFWWWQNUSA-N 0 3 352.463 3.051 20 30 FGEDHN N#Cc1ccc([C@H](O)CN[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000763236698 723325076 /nfs/dbraw/zinc/32/50/76/723325076.db2.gz SKZLNFFAJVPXIS-DLBZAZTESA-N 0 3 373.250 3.468 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=S)Nc1ccccc1C#N ZINC000764930625 723460444 /nfs/dbraw/zinc/46/04/44/723460444.db2.gz MSGRNXCZVNMHDL-KXBFYZLASA-N 0 3 350.491 3.365 20 30 FGEDHN C[C@]12CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C[C@H]1C2(F)F ZINC000794624928 723536273 /nfs/dbraw/zinc/53/62/73/723536273.db2.gz SLTXDPIXEXNKHU-JGFGOQIWSA-N 0 3 361.417 3.450 20 30 FGEDHN N#CC(C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1 ZINC000766846696 723595452 /nfs/dbraw/zinc/59/54/52/723595452.db2.gz PUCAWSNOMCTTRE-OAHLLOKOSA-N 0 3 352.356 3.406 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(OC)c(Cl)n2)cc1 ZINC000766843369 723595509 /nfs/dbraw/zinc/59/55/09/723595509.db2.gz WNNSJPFYRYBLBL-ZDUSSCGKSA-N 0 3 357.797 3.267 20 30 FGEDHN C#CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000773107988 723776761 /nfs/dbraw/zinc/77/67/61/723776761.db2.gz SMFQSLLLHRZBPE-OXQOHEQNSA-N 0 3 356.491 3.352 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000776518068 724154580 /nfs/dbraw/zinc/15/45/80/724154580.db2.gz UTANTLGBTCQZDI-YNEHKIRRSA-N 0 3 364.829 3.120 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC[C@@H](OCCOC)C1 ZINC000800850144 724237517 /nfs/dbraw/zinc/23/75/17/724237517.db2.gz LVFXKZUHDFAVCM-MRXNPFEDSA-N 0 3 361.511 3.399 20 30 FGEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000786537755 724987532 /nfs/dbraw/zinc/98/75/32/724987532.db2.gz KRGBFCUBUBAKNV-XOKHGSTOSA-N 0 3 362.857 3.260 20 30 FGEDHN N#CC(C(=O)CCCc1cccs1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569897 724989291 /nfs/dbraw/zinc/98/92/91/724989291.db2.gz GZNIZBZVFWAWAH-CQSZACIVSA-N 0 3 362.401 3.374 20 30 FGEDHN CCOC(=O)C(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000805855133 725100690 /nfs/dbraw/zinc/10/06/90/725100690.db2.gz DQQOMGFPNGVXNS-LLVKDONJSA-N 0 3 368.792 3.106 20 30 FGEDHN Cc1nc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)sc1SCC#N ZINC000809611973 725252245 /nfs/dbraw/zinc/25/22/45/725252245.db2.gz RUYKIHAYUKJGSM-STQMWFEESA-N 0 3 373.459 3.310 20 30 FGEDHN CC(C)[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCCO1 ZINC000815318435 727063630 /nfs/dbraw/zinc/06/36/30/727063630.db2.gz OZMWWTZHRFLEGU-RHSMWYFYSA-N 0 3 357.479 3.219 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccc(C)nc1Sc1ccccc1 ZINC000818588704 727315340 /nfs/dbraw/zinc/31/53/40/727315340.db2.gz CMAUKDPIMNZDPY-UHFFFAOYSA-N 0 3 353.491 3.226 20 30 FGEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000818595566 727315812 /nfs/dbraw/zinc/31/58/12/727315812.db2.gz ATXGTMVIKFTDMS-CYBMUJFWSA-N 0 3 369.278 3.153 20 30 FGEDHN C#CCOc1ccccc1CNC[C@H](O)COCc1ccc(Cl)cc1 ZINC000819073091 727344466 /nfs/dbraw/zinc/34/44/66/727344466.db2.gz SAQDONZIKZCUMT-IBGZPJMESA-N 0 3 359.853 3.019 20 30 FGEDHN Cc1ccc(Br)cc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835071745 729856340 /nfs/dbraw/zinc/85/63/40/729856340.db2.gz UNQPZDSWZFFBBH-HNNXBMFYSA-N 0 3 363.255 3.068 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1C ZINC000836490177 729957543 /nfs/dbraw/zinc/95/75/43/729957543.db2.gz MFEYAJDMPYVTKF-INIZCTEOSA-N 0 3 355.404 3.243 20 30 FGEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C2(CCC2)CO1 ZINC000844422256 730715631 /nfs/dbraw/zinc/71/56/31/730715631.db2.gz LELMUUNWSPQIRR-UONOGXRCSA-N 0 3 355.463 3.116 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2CCCC#N)C1 ZINC000844461553 730722227 /nfs/dbraw/zinc/72/22/27/730722227.db2.gz KLVIWMQCAWDSQO-ZACQAIPSSA-N 0 3 351.491 3.217 20 30 FGEDHN C=CCN(Cc1cccs1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846765054 730978224 /nfs/dbraw/zinc/97/82/24/730978224.db2.gz XWFGLKDSXGTIOO-SFHVURJKSA-N 0 3 352.500 3.108 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731472 731626638 /nfs/dbraw/zinc/62/66/38/731626638.db2.gz JURGQPKIWKCBCN-OALUTQOASA-N 0 3 352.906 3.412 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2F)N(C)C)cc1 ZINC000854671154 731851755 /nfs/dbraw/zinc/85/17/55/731851755.db2.gz CUDSSHHAHJRHCX-SFHVURJKSA-N 0 3 357.454 3.452 20 30 FGEDHN Cc1nn(C)c2nc(Cl)c(CN[C@H]3Cc4ccc(C#N)cc4C3)cc12 ZINC000865847499 733281425 /nfs/dbraw/zinc/28/14/25/733281425.db2.gz FUOBCJOZUMCNOD-INIZCTEOSA-N 0 3 351.841 3.059 20 30 FGEDHN N#CCc1ccsc1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000867070908 733433741 /nfs/dbraw/zinc/43/37/41/733433741.db2.gz XMHUZGPTAGCQHY-UHFFFAOYSA-N 0 3 355.463 3.023 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCSCCC(F)(F)F)CC1 ZINC000868221345 733572763 /nfs/dbraw/zinc/57/27/63/733572763.db2.gz GFKKOKSQYFSNJO-UHFFFAOYSA-N 0 3 353.454 3.012 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnn(CC2CC2)c1 ZINC000870142808 733815909 /nfs/dbraw/zinc/81/59/09/733815909.db2.gz NSXOMYQIXDEPAG-CYBMUJFWSA-N 0 3 360.776 3.047 20 30 FGEDHN CC(=NNc1cc(Cl)nc2c1c(C)nn2C)c1cn2c(n1)CCCC2 ZINC000872422090 735627761 /nfs/dbraw/zinc/62/77/61/735627761.db2.gz GTEYCVHAOYGULL-UHFFFAOYSA-N 0 3 357.849 3.299 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000876552838 736113186 /nfs/dbraw/zinc/11/31/86/736113186.db2.gz GNJXSOIKZUCJHA-OAHLLOKOSA-N 0 3 359.861 3.080 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000876582615 736116751 /nfs/dbraw/zinc/11/67/51/736116751.db2.gz UYPURWBKZYECPF-MRXNPFEDSA-N 0 3 363.889 3.276 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(Br)cc1Cl ZINC000876624025 736123234 /nfs/dbraw/zinc/12/32/34/736123234.db2.gz ZLNUCMWRPISTGZ-LLVKDONJSA-N 0 3 352.059 3.189 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000876604366 736119552 /nfs/dbraw/zinc/11/95/52/736119552.db2.gz LGFDMWPMEMGOTD-XJKSGUPXSA-N 0 3 366.893 3.207 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(C(=O)OCC)sc2ccsc21 ZINC000876652529 736127193 /nfs/dbraw/zinc/12/71/93/736127193.db2.gz JPEQSAJHGYVKOA-JTQLQIEISA-N 0 3 372.899 3.226 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000876674456 736130160 /nfs/dbraw/zinc/13/01/60/736130160.db2.gz KMKDCMVWJOPXMB-MRXNPFEDSA-N 0 3 352.862 3.209 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000876691069 736132140 /nfs/dbraw/zinc/13/21/40/736132140.db2.gz ZJMBCFRUJXNCQZ-UONOGXRCSA-N 0 3 362.779 3.075 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000877005935 736173899 /nfs/dbraw/zinc/17/38/99/736173899.db2.gz CNKNFLNZDHDCBK-RHSMWYFYSA-N 0 3 356.388 3.125 20 30 FGEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877477299 736224580 /nfs/dbraw/zinc/22/45/80/736224580.db2.gz COJLPNNHHITDRO-IUODEOHRSA-N 0 3 364.877 3.342 20 30 FGEDHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000880516276 737183293 /nfs/dbraw/zinc/18/32/93/737183293.db2.gz PLFNTBIMJQCWGL-FXHACXQTSA-N 0 3 359.495 3.127 20 30 FGEDHN CN(C)C[C@H](NC(=O)Nc1cccc(CC#N)n1)c1ccc(Cl)cc1 ZINC000881146731 737294909 /nfs/dbraw/zinc/29/49/09/737294909.db2.gz UXQHUSAGMOFETL-INIZCTEOSA-N 0 3 357.845 3.225 20 30 FGEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1c(Cl)cccc1Cl ZINC000884120131 737635373 /nfs/dbraw/zinc/63/53/73/737635373.db2.gz FJJRCOAEEGSWQV-WELLJHPMSA-N 0 3 366.292 3.352 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C2 ZINC000884421774 737662819 /nfs/dbraw/zinc/66/28/19/737662819.db2.gz CZGHJVWUDMYVLB-KGXJWFGYSA-N 0 3 373.762 3.316 20 30 FGEDHN CC(C)CN(Cc1cccc(Cl)c1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884425902 737663413 /nfs/dbraw/zinc/66/34/13/737663413.db2.gz WCRCXJCKCRNYSB-OHTSDLOESA-N 0 3 359.901 3.464 20 30 FGEDHN C#CCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CCN(C)CC1 ZINC000886583569 739272436 /nfs/dbraw/zinc/27/24/36/739272436.db2.gz VVDVELQMKYIYDM-UHFFFAOYSA-N 0 3 357.841 3.165 20 30 FGEDHN CC(C)Cn1ccc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000892498634 740007528 /nfs/dbraw/zinc/00/75/28/740007528.db2.gz KYYIGEDXNOHIOS-LBPRGKRZSA-N 0 3 362.792 3.293 20 30 FGEDHN CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000893873540 742207983 /nfs/dbraw/zinc/20/79/83/742207983.db2.gz ABOKGVMCISEYLS-QZTJIDSGSA-N 0 3 354.479 3.207 20 30 FGEDHN C=CCOc1cccc(CN2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 ZINC000898398072 742788614 /nfs/dbraw/zinc/78/86/14/742788614.db2.gz AZBQHUGYDLNVBS-VWLOTQADSA-N 0 3 365.543 3.038 20 30 FGEDHN CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(C#N)c1 ZINC000902764364 743773602 /nfs/dbraw/zinc/77/36/02/743773602.db2.gz CQUDLUQKGDRXAY-LIRRHRJNSA-N 0 3 357.479 3.268 20 30 FGEDHN C[C@@H](NC[C@@H](CO)Cc1ccccc1Br)c1cc(C#N)ccn1 ZINC000902972371 743794640 /nfs/dbraw/zinc/79/46/40/743794640.db2.gz DDRNANADGSYZAC-HIFRSBDPSA-N 0 3 374.282 3.218 20 30 FGEDHN C[C@@](O)(CNCc1cnccc1C(F)(F)F)C(F)(F)C(F)(F)F ZINC000905388095 744017566 /nfs/dbraw/zinc/01/75/66/744017566.db2.gz XKVXDVQOXUWBJH-SECBINFHSA-N 0 3 352.225 3.139 20 30 FGEDHN S=C(NN=Cc1ccsc1)NC1CCN(Cc2ccccc2)CC1 ZINC000916307059 758067561 /nfs/dbraw/zinc/06/75/61/758067561.db2.gz OWCGSBUCZDKNNS-UHFFFAOYSA-N 0 3 358.536 3.211 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000916877117 758150051 /nfs/dbraw/zinc/15/00/51/758150051.db2.gz BSRSTRWHYHCGQC-DODZYUBVSA-N 0 3 350.503 3.479 20 30 FGEDHN N#CC(C(=O)COc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916936257 758155572 /nfs/dbraw/zinc/15/55/72/758155572.db2.gz FRNPNAUKPXRBJZ-CYBMUJFWSA-N 0 3 364.735 3.345 20 30 FGEDHN Cc1noc(C)c1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917099811 758178439 /nfs/dbraw/zinc/17/84/39/758178439.db2.gz GSNYPZUMTAQDQU-ZDUSSCGKSA-N 0 3 354.435 3.209 20 30 FGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000924569544 759356091 /nfs/dbraw/zinc/35/60/91/759356091.db2.gz JHTQEZITJCLPFR-INIZCTEOSA-N 0 3 363.527 3.279 20 30 FGEDHN OC1(CCN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCC1 ZINC000932941310 761280727 /nfs/dbraw/zinc/28/07/27/761280727.db2.gz ACYUXVYJNPREQD-IUCAKERBSA-N 0 3 367.280 3.394 20 30 FGEDHN CC(C)[C@H](O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945061 761282505 /nfs/dbraw/zinc/28/25/05/761282505.db2.gz QPCRLJHKRWJTGK-XHNCKOQMSA-N 0 3 355.269 3.106 20 30 FGEDHN C#Cc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(Cl)c1 ZINC000933361331 761370410 /nfs/dbraw/zinc/37/04/10/761370410.db2.gz FZKSBAIVMPWVJV-AWEZNQCLSA-N 0 3 361.873 3.038 20 30 FGEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)[C@]13C[C@H]1CCC3)C2 ZINC000964432119 762790905 /nfs/dbraw/zinc/79/09/05/762790905.db2.gz IXPSQYLQINQJQH-SHYXBQSJSA-N 0 3 353.304 3.102 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C)sc2C)CC1(C)C ZINC000975057531 763085868 /nfs/dbraw/zinc/08/58/68/763085868.db2.gz QBWUTOJPZAMNQF-FGTMMUONSA-N 0 3 362.539 3.283 20 30 FGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001016873911 765826525 /nfs/dbraw/zinc/82/65/25/765826525.db2.gz RVWAWMNLCOGQMV-IPMKNSEASA-N 0 3 356.897 3.438 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1CCCc1ccsc1 ZINC001024662230 766061184 /nfs/dbraw/zinc/06/11/84/766061184.db2.gz URQAPYQZEQMBHF-OTWHNJEPSA-N 0 3 362.539 3.243 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2c(C)cccc2Cl)C1 ZINC001028810161 766133617 /nfs/dbraw/zinc/13/36/17/766133617.db2.gz YEMQZRFJJLHDTJ-MDZRGWNJSA-N 0 3 362.901 3.178 20 30 FGEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001033931720 766226943 /nfs/dbraw/zinc/22/69/43/766226943.db2.gz RNTXVHCWJLOMSM-RBSFLKMASA-N 0 3 350.915 3.451 20 30 FGEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001038885404 766290699 /nfs/dbraw/zinc/29/06/99/766290699.db2.gz CPILONFTAVHOPU-SOUVJXGZSA-N 0 3 352.400 3.364 20 30 FGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC001041410555 766331333 /nfs/dbraw/zinc/33/13/33/766331333.db2.gz YARHFGKDVSOGBJ-SOLBZPMBSA-N 0 3 356.432 3.303 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001045043937 766504391 /nfs/dbraw/zinc/50/43/91/766504391.db2.gz SZSQYGRLFBUWAT-SCTDSRPQSA-N 0 3 362.901 3.402 20 30 FGEDHN N#Cc1ccc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000573609365 505577227 /nfs/dbraw/zinc/57/72/27/505577227.db2.gz DDQXMABITFVFFW-MRXNPFEDSA-N 0 3 352.413 3.341 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCCN2C2CC2)c1C#N ZINC000573639580 505584933 /nfs/dbraw/zinc/58/49/33/505584933.db2.gz WFJSUEGIDFLMEJ-OAHLLOKOSA-N 0 3 370.522 3.299 20 30 FGEDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599259038 506388847 /nfs/dbraw/zinc/38/88/47/506388847.db2.gz JQLWNRYKRMAAHO-HNNXBMFYSA-N 0 3 356.388 3.209 20 30 FGEDHN COCCCN(C(=O)C[C@H](CC#N)c1ccccc1)C1CCN(C)CC1 ZINC000570866723 505598725 /nfs/dbraw/zinc/59/87/25/505598725.db2.gz FYTVZFUTVZNQRY-IBGZPJMESA-N 0 3 357.498 3.033 20 30 FGEDHN COc1cccc(NC(=O)C[C@H](C)NCc2ccc(C#N)c(OC)c2)c1 ZINC000570977762 505625203 /nfs/dbraw/zinc/62/52/03/505625203.db2.gz DGKXTGMKIQBWBP-AWEZNQCLSA-N 0 3 353.422 3.082 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000576936544 505628980 /nfs/dbraw/zinc/62/89/80/505628980.db2.gz KHZLQBNXZDHCGP-YZGWKJHDSA-N 0 3 356.853 3.291 20 30 FGEDHN Cc1ccc(-c2n[nH]cc2CN(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000577026063 505646911 /nfs/dbraw/zinc/64/69/11/505646911.db2.gz GNHPEEFQAPJTPI-UHFFFAOYSA-N 0 3 363.465 3.414 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(NC(=O)[C@H]3CCCO3)c1)CC2 ZINC000571091593 505650924 /nfs/dbraw/zinc/65/09/24/505650924.db2.gz BVNSZXNQJZVAKH-NHCUHLMSSA-N 0 3 361.445 3.453 20 30 FGEDHN C=CCOc1ccccc1CNC[C@@]1(COC)OCCc2ccccc21 ZINC000580060248 505671741 /nfs/dbraw/zinc/67/17/41/505671741.db2.gz ZWQBUMWQLWXVMB-QFIPXVFZSA-N 0 3 353.462 3.456 20 30 FGEDHN Cc1ccccc1Oc1ccccc1CNC[C@H](O)CN(C)CCC#N ZINC000577172342 505679323 /nfs/dbraw/zinc/67/93/23/505679323.db2.gz QHGVNZKLXUQPKG-IBGZPJMESA-N 0 3 353.466 3.083 20 30 FGEDHN COCCN(C)CCOc1cccc(CNc2cccc(F)c2C#N)c1 ZINC000075722299 493773201 /nfs/dbraw/zinc/77/32/01/493773201.db2.gz WPOVBHOPJFUAGQ-UHFFFAOYSA-N 0 3 357.429 3.266 20 30 FGEDHN N#Cc1cccc(NC(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000080767746 493775752 /nfs/dbraw/zinc/77/57/52/493775752.db2.gz ILGQCALEVPUFHJ-UHFFFAOYSA-N 0 3 350.422 3.159 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCOc3cccc(F)c3)CC2)cc1 ZINC000029712133 493853277 /nfs/dbraw/zinc/85/32/77/493853277.db2.gz WGBJIYZMCBNLLK-UHFFFAOYSA-N 0 3 353.441 3.284 20 30 FGEDHN Cc1ccccc1CN1CCCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000030153810 493878751 /nfs/dbraw/zinc/87/87/51/493878751.db2.gz GZKQRPJDOQIJIS-UHFFFAOYSA-N 0 3 368.506 3.075 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000076389745 493882213 /nfs/dbraw/zinc/88/22/13/493882213.db2.gz ZLKTVVQNMZFUFF-SFHVURJKSA-N 0 3 363.461 3.060 20 30 FGEDHN CC(=O)CCc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532861 493896061 /nfs/dbraw/zinc/89/60/61/493896061.db2.gz AKKPGKUAACCRDD-DYESRHJHSA-N 0 3 366.461 3.170 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc4c(c3)OCCO4)C2)c(F)c1 ZINC000068991516 493903418 /nfs/dbraw/zinc/90/34/18/493903418.db2.gz ZGJZCLDIMHINMV-KRWDZBQOSA-N 0 3 367.424 3.227 20 30 FGEDHN CCn1nc(C)c(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000068991070 493903498 /nfs/dbraw/zinc/90/34/98/493903498.db2.gz BMLXPDJVBPBLGP-KRWDZBQOSA-N 0 3 355.461 3.289 20 30 FGEDHN C=CCOc1ccc(CNCc2ccccc2Cn2cncn2)cc1OC ZINC000030900779 493912580 /nfs/dbraw/zinc/91/25/80/493912580.db2.gz OTMAJEZPTDQOMZ-UHFFFAOYSA-N 0 3 364.449 3.190 20 30 FGEDHN COCCOc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000030916267 493913502 /nfs/dbraw/zinc/91/35/02/493913502.db2.gz LARMDPJKCSGXJP-UHFFFAOYSA-N 0 3 353.466 3.351 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000069255891 493943304 /nfs/dbraw/zinc/94/33/04/493943304.db2.gz QKLIFYRNVUTOQU-CALCHBBNSA-N 0 3 370.497 3.106 20 30 FGEDHN N#Cc1cccc(CNC(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000061036447 493963283 /nfs/dbraw/zinc/96/32/83/493963283.db2.gz OVBGZLGYLYQYLZ-UHFFFAOYSA-N 0 3 368.506 3.331 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000051852311 493990973 /nfs/dbraw/zinc/99/09/73/493990973.db2.gz MQXOXSVKILEQAR-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN Cc1csc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000069829125 494020277 /nfs/dbraw/zinc/02/02/77/494020277.db2.gz VWRWRXXDDGUKER-HNNXBMFYSA-N 0 3 371.510 3.158 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C1CCCCC1 ZINC000052635172 494048199 /nfs/dbraw/zinc/04/81/99/494048199.db2.gz CATNCJHFMIPNNA-UHFFFAOYSA-N 0 3 360.502 3.216 20 30 FGEDHN C=CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1cccc(C#N)c1 ZINC000063388193 494050083 /nfs/dbraw/zinc/05/00/83/494050083.db2.gz HMLBEZYVQHELMZ-UHFFFAOYSA-N 0 3 359.429 3.233 20 30 FGEDHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930846 494257147 /nfs/dbraw/zinc/25/71/47/494257147.db2.gz LKYVXDBHJPAVNW-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN CCc1onc(C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000089416772 494302852 /nfs/dbraw/zinc/30/28/52/494302852.db2.gz CQQZKASIOVECCL-UHFFFAOYSA-N 0 3 355.442 3.013 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2cccc(OCC#N)c2)c1 ZINC000089797179 494366142 /nfs/dbraw/zinc/36/61/42/494366142.db2.gz XXHSPVKNYMWOPC-UHFFFAOYSA-N 0 3 365.477 3.030 20 30 FGEDHN CCOC(=O)CSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000066862970 494428598 /nfs/dbraw/zinc/42/85/98/494428598.db2.gz XXIIEYIKPVDNSX-CYBMUJFWSA-N 0 3 360.460 3.283 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3ccc(Cl)c([N+](=O)[O-])c3)CC2)nc1 ZINC000067011054 494454531 /nfs/dbraw/zinc/45/45/31/494454531.db2.gz LROALDLEOSIUEP-UHFFFAOYSA-N 0 3 371.828 3.273 20 30 FGEDHN CCN1CCN(c2ccc(Nc3nnc(C)c(C)c3C#N)c(C)c2)CC1 ZINC000056145718 494461511 /nfs/dbraw/zinc/46/15/11/494461511.db2.gz AAKCHQQVIVMIIM-UHFFFAOYSA-N 0 3 350.470 3.159 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCN(CC)CC2)cc1 ZINC000091173156 494549076 /nfs/dbraw/zinc/54/90/76/494549076.db2.gz JKDVBCOSJKJXPC-UHFFFAOYSA-N 0 3 370.497 3.060 20 30 FGEDHN CO/N=C/c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000023156959 494554609 /nfs/dbraw/zinc/55/46/09/494554609.db2.gz FXRHWTROSCOGHM-PXLXIMEGSA-N 0 3 351.450 3.061 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232236 494567643 /nfs/dbraw/zinc/56/76/43/494567643.db2.gz QTUUCYSVIVXFGW-UHFFFAOYSA-N 0 3 363.465 3.011 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(NC(C)=O)cc2Cl)CC1 ZINC000067576186 494572212 /nfs/dbraw/zinc/57/22/12/494572212.db2.gz CTICENBYHQWNEO-UHFFFAOYSA-N 0 3 350.850 3.070 20 30 FGEDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000568586919 505729219 /nfs/dbraw/zinc/72/92/19/505729219.db2.gz UXTIVOYIZFTRNU-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN COc1ccc(C)cc1[C@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000024099491 494606773 /nfs/dbraw/zinc/60/67/73/494606773.db2.gz DOANMJGCCFTNPN-FUHWJXTLSA-N 0 3 354.450 3.160 20 30 FGEDHN C[C@@H]1CN(CC2CCN(c3ccc4cc(C#N)ccc4n3)CC2)C[C@@H](C)O1 ZINC000091478184 494607338 /nfs/dbraw/zinc/60/73/38/494607338.db2.gz DKWIWTPFSDCIDH-IAGOWNOFSA-N 0 3 364.493 3.432 20 30 FGEDHN Cc1cccc(O[C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010562 494616254 /nfs/dbraw/zinc/61/62/54/494616254.db2.gz CLMBIGOHIJXBDY-GOSISDBHSA-N 0 3 365.477 3.224 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000108365778 494688989 /nfs/dbraw/zinc/68/89/89/494688989.db2.gz CSJPCXITENRSMM-IRXDYDNUSA-N 0 3 372.538 3.189 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000092801242 494754008 /nfs/dbraw/zinc/75/40/08/494754008.db2.gz ISVDAXZMPHUTFS-AWEZNQCLSA-N 0 3 370.280 3.209 20 30 FGEDHN N#Cc1ccc2ncc(CNc3ccccc3CN3CCSCC3)n2c1 ZINC000092160157 494801977 /nfs/dbraw/zinc/80/19/77/494801977.db2.gz CPMGRMSJKKSWEO-UHFFFAOYSA-N 0 3 363.490 3.367 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000126671971 494816051 /nfs/dbraw/zinc/81/60/51/494816051.db2.gz ZROJBZMTAUZYQR-HXUWFJFHSA-N 0 3 367.880 3.286 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cnc(C4CCC4)s3)CC2)nc1 ZINC000132321227 494856971 /nfs/dbraw/zinc/85/69/71/494856971.db2.gz NJOYXQWTUSMVDS-UHFFFAOYSA-N 0 3 353.495 3.436 20 30 FGEDHN COc1cc(CN2CCC(CO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000116877445 494865166 /nfs/dbraw/zinc/86/51/66/494865166.db2.gz NLJLZOXZXYEPGN-UHFFFAOYSA-N 0 3 366.461 3.350 20 30 FGEDHN Cc1ccc(OC2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000116882876 494866442 /nfs/dbraw/zinc/86/64/42/494866442.db2.gz NBQUZNLJLQCCCM-IBGZPJMESA-N 0 3 366.461 3.150 20 30 FGEDHN C=CC1CCN(Cc2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)CC1 ZINC000093359190 494878113 /nfs/dbraw/zinc/87/81/13/494878113.db2.gz YROFPGNQGBLDOB-MRXNPFEDSA-N 0 3 360.498 3.339 20 30 FGEDHN CCCN(Cc1ccc(C#N)o1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000093417551 494890840 /nfs/dbraw/zinc/89/08/40/494890840.db2.gz QSZAWFRSKIMCRN-UHFFFAOYSA-N 0 3 353.470 3.439 20 30 FGEDHN Cc1cccnc1[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)C(C)C ZINC000121925894 494892017 /nfs/dbraw/zinc/89/20/17/494892017.db2.gz NXYZRBQZJPPTHM-UYAOXDASSA-N 0 3 353.466 3.183 20 30 FGEDHN Cc1cc(C)cc(OC[C@@H](O)CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000568690138 505753407 /nfs/dbraw/zinc/75/34/07/505753407.db2.gz GDVLZASFRSUASX-NRFANRHFSA-N 0 3 368.477 3.063 20 30 FGEDHN C[C@@H](CCNCc1cccc(OCc2ccccc2C#N)c1)[S@](C)=O ZINC000133481337 495018699 /nfs/dbraw/zinc/01/86/99/495018699.db2.gz SNLKVASJYAEWCS-IVCQMTBJSA-N 0 3 356.491 3.384 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2n2cccn2)cc1Cl ZINC000128051647 495037462 /nfs/dbraw/zinc/03/74/62/495037462.db2.gz WTOQETDKXNREIK-DLBZAZTESA-N 0 3 357.845 3.120 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2n2cccn2)cc1Cl ZINC000128051841 495037536 /nfs/dbraw/zinc/03/75/36/495037536.db2.gz WTOQETDKXNREIK-IRXDYDNUSA-N 0 3 357.845 3.120 20 30 FGEDHN CCN1CCN([C@H]2CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000118834625 495044916 /nfs/dbraw/zinc/04/49/16/495044916.db2.gz NFNZLMZNCVBCPU-QHCPKHFHSA-N 0 3 374.532 3.437 20 30 FGEDHN CCCCN(C)CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000112310571 495173635 /nfs/dbraw/zinc/17/36/35/495173635.db2.gz VRGRCGJIZSDZJL-UHFFFAOYSA-N 0 3 355.438 3.192 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC000134950707 495229661 /nfs/dbraw/zinc/22/96/61/495229661.db2.gz AGECETJHJHIKIL-UHFFFAOYSA-N 0 3 360.461 3.146 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN(CCO)Cc2ccccc2)cc1Cl ZINC000103466881 495236623 /nfs/dbraw/zinc/23/66/23/495236623.db2.gz QAWGPISNCCRTMG-UHFFFAOYSA-N 0 3 357.841 3.035 20 30 FGEDHN C=CCNc1ncc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)s1 ZINC000129637577 495273310 /nfs/dbraw/zinc/27/33/10/495273310.db2.gz USRUMRQYSADCSC-WBVHZDCISA-N 0 3 370.522 3.381 20 30 FGEDHN COc1ccc(OCCN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104715468 495299914 /nfs/dbraw/zinc/29/99/14/495299914.db2.gz SUTYGZISRJQTQJ-UHFFFAOYSA-N 0 3 352.434 3.489 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)nn2c1nc(C)cc2C)C(C)C ZINC000120084346 495303548 /nfs/dbraw/zinc/30/35/48/495303548.db2.gz NMMVIYASYMEEEU-SFHVURJKSA-N 0 3 369.513 3.083 20 30 FGEDHN CC#CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135990826 495348233 /nfs/dbraw/zinc/34/82/33/495348233.db2.gz MJBHKBOQEWVKLW-NVXWUHKLSA-N 0 3 367.415 3.411 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000136212414 495364827 /nfs/dbraw/zinc/36/48/27/495364827.db2.gz HXQSVNQNUIFDDX-OXQOHEQNSA-N 0 3 357.498 3.061 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000577697772 505777140 /nfs/dbraw/zinc/77/71/40/505777140.db2.gz QVIWDHVCEHBSHI-JCURWCKSSA-N 0 3 373.522 3.373 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000106039357 495406525 /nfs/dbraw/zinc/40/65/25/495406525.db2.gz KIWAFADHSDFQHD-UHFFFAOYSA-N 0 3 354.397 3.067 20 30 FGEDHN N#CCc1ccc(NC(=O)N2CCc3ccccc3[C@H]2CN)c(Cl)c1 ZINC000571642516 505780608 /nfs/dbraw/zinc/78/06/08/505780608.db2.gz PHQUDEJTKWGSBL-GOSISDBHSA-N 0 3 354.841 3.496 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000106266762 495440829 /nfs/dbraw/zinc/44/08/29/495440829.db2.gz CSNSJZOZQPLXJI-PZJWPPBQSA-N 0 3 371.525 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCn2c(C)nc3ccccc32)CC1 ZINC000106262429 495441194 /nfs/dbraw/zinc/44/11/94/495441194.db2.gz XHQVSKNACDBNNS-UHFFFAOYSA-N 0 3 369.513 3.075 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(OC)cc2)C2CC2)CC1 ZINC000106341208 495446952 /nfs/dbraw/zinc/44/69/52/495446952.db2.gz YGINYIUAKKVJPO-UHFFFAOYSA-N 0 3 357.498 3.410 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000120807852 495462108 /nfs/dbraw/zinc/46/21/08/495462108.db2.gz PVVPFZVFZYQZIQ-MDVISLEMSA-N 0 3 358.482 3.072 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCc3ccccc3[C@H]2CO)cc1Cl ZINC000130935456 495468820 /nfs/dbraw/zinc/46/88/20/495468820.db2.gz NVDZJESYSURZSF-LJQANCHMSA-N 0 3 369.852 3.132 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000139061170 495472274 /nfs/dbraw/zinc/47/22/74/495472274.db2.gz HALHBBXXTQASLD-ROUUACIJSA-N 0 3 351.535 3.262 20 30 FGEDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115359154 495495064 /nfs/dbraw/zinc/49/50/64/495495064.db2.gz CTTQBHMZLMVWSH-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN COc1ccc(CCCN(C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000125874910 495511526 /nfs/dbraw/zinc/51/15/26/495511526.db2.gz PGHSDRPGJWGIGR-NRFANRHFSA-N 0 3 363.461 3.237 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(C3CCC(C)CC3)CC2)c(C#N)c1C ZINC000115565708 495518343 /nfs/dbraw/zinc/51/83/43/495518343.db2.gz VPOSQXHMONKKNN-BFHRDPOASA-N 0 3 372.513 3.291 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000125923425 495519618 /nfs/dbraw/zinc/51/96/18/495519618.db2.gz YRPOJQFXKFXDBV-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1C#N ZINC000580565282 505787778 /nfs/dbraw/zinc/78/77/78/505787778.db2.gz LFSRBCRVZAOKFA-XJKSGUPXSA-N 0 3 355.467 3.108 20 30 FGEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)CC1(C#N)CCOCC1)CCC2 ZINC000599330470 506414788 /nfs/dbraw/zinc/41/47/88/506414788.db2.gz ADANPYOZQAOGNJ-HOCLYGCPSA-N 0 3 363.527 3.086 20 30 FGEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000574511837 505788985 /nfs/dbraw/zinc/78/89/85/505788985.db2.gz AENGYNJFMBERRS-GJZGRUSLSA-N 0 3 361.287 3.309 20 30 FGEDHN C[C@@H](C#N)CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000182418746 495556714 /nfs/dbraw/zinc/55/67/14/495556714.db2.gz DLEBXNXXTDWJDJ-INIZCTEOSA-N 0 3 350.466 3.374 20 30 FGEDHN C[C@@H]1CCN(C(=O)COc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000173529748 495576598 /nfs/dbraw/zinc/57/65/98/495576598.db2.gz JVLYOABNCKANGZ-GOSISDBHSA-N 0 3 363.461 3.060 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000574525063 505792852 /nfs/dbraw/zinc/79/28/52/505792852.db2.gz MRSZHMRONCLUGU-CQSZACIVSA-N 0 3 359.832 3.426 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000568850213 505792942 /nfs/dbraw/zinc/79/29/42/505792942.db2.gz JMIOZSSZHAWQKB-IRNNPGBSSA-N 0 3 359.473 3.441 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000158996145 495632921 /nfs/dbraw/zinc/63/29/21/495632921.db2.gz OGNCKXAXSNILGP-UHFFFAOYSA-N 0 3 371.525 3.291 20 30 FGEDHN CCN(C(=O)NCC#Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159086557 495654959 /nfs/dbraw/zinc/65/49/59/495654959.db2.gz FDKROQAGDNHPRY-JOCHJYFZSA-N 0 3 361.489 3.344 20 30 FGEDHN C=CCOc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1Cl ZINC000179624115 495665762 /nfs/dbraw/zinc/66/57/62/495665762.db2.gz KOJGEMCSAKYJRN-UHFFFAOYSA-N 0 3 364.917 3.449 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000568872966 505797704 /nfs/dbraw/zinc/79/77/04/505797704.db2.gz FTZGLPPRAINFSI-YZGWKJHDSA-N 0 3 356.853 3.291 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179755191 495720638 /nfs/dbraw/zinc/72/06/38/495720638.db2.gz VEQGJQLCAQRXGM-MGPUTAFESA-N 0 3 356.466 3.088 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624626 495724940 /nfs/dbraw/zinc/72/49/40/495724940.db2.gz AMUJXWOAUKUINR-CYBMUJFWSA-N 0 3 362.948 3.061 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2)CC1 ZINC000176634850 495729258 /nfs/dbraw/zinc/72/92/58/495729258.db2.gz GPKKVDRCHXZQQZ-FQEVSTJZSA-N 0 3 354.498 3.031 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)C1CCOCC1 ZINC000179858305 495761643 /nfs/dbraw/zinc/76/16/43/495761643.db2.gz OOKXYEJIJHXBII-GJZGRUSLSA-N 0 3 361.511 3.282 20 30 FGEDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000174000529 495782820 /nfs/dbraw/zinc/78/28/20/495782820.db2.gz SPNOJCHGUDQKAY-MRXNPFEDSA-N 0 3 371.506 3.438 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000180058814 495840013 /nfs/dbraw/zinc/84/00/13/495840013.db2.gz PLTCLGRUZXZACJ-MRXNPFEDSA-N 0 3 352.438 3.231 20 30 FGEDHN C=C(C)COCCNC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000151501214 495858833 /nfs/dbraw/zinc/85/88/33/495858833.db2.gz ZJDZWDBXZVBMPA-AZUAARDMSA-N 0 3 359.514 3.446 20 30 FGEDHN CCc1cnc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000174198340 495859368 /nfs/dbraw/zinc/85/93/68/495859368.db2.gz ZWLFHMALLNPMKH-UHFFFAOYSA-N 0 3 357.483 3.173 20 30 FGEDHN CN(CC1CCN(C)CC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000171418558 495865344 /nfs/dbraw/zinc/86/53/44/495865344.db2.gz LPXZWFJPFJISEO-UHFFFAOYSA-N 0 3 367.415 3.040 20 30 FGEDHN N#Cc1ncn(CCN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000577878157 505810226 /nfs/dbraw/zinc/81/02/26/505810226.db2.gz PAPRWDXPRBPPQK-GOSISDBHSA-N 0 3 351.841 3.377 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)CC1 ZINC000151618994 495896089 /nfs/dbraw/zinc/89/60/89/495896089.db2.gz OOEXNSOWJQGQSJ-UHFFFAOYSA-N 0 3 371.460 3.482 20 30 FGEDHN CC(C)(C)NS(=O)(=O)c1ccccc1CNCC(C)(C)CCC#N ZINC000174308078 495903250 /nfs/dbraw/zinc/90/32/50/495903250.db2.gz XSCFHZKVHBYYRW-UHFFFAOYSA-N 0 3 351.516 3.183 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000160220436 495912980 /nfs/dbraw/zinc/91/29/80/495912980.db2.gz IDZRLERYNVYGKK-UWJYYQICSA-N 0 3 362.477 3.363 20 30 FGEDHN Cn1cc(CNC[C@](C)(O)c2ccsc2)c(-c2ccc(C#N)cc2)n1 ZINC000180238989 495920457 /nfs/dbraw/zinc/92/04/57/495920457.db2.gz FMZLMJAEQHVNEF-IBGZPJMESA-N 0 3 352.463 3.018 20 30 FGEDHN Cc1cccc([C@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000160317907 495933350 /nfs/dbraw/zinc/93/33/50/495933350.db2.gz VOTNYPCJGUEPEE-GHTZIAJQSA-N 0 3 351.450 3.033 20 30 FGEDHN Cn1cc(CNCc2ccccc2-n2cccn2)c(-c2ccc(C#N)cc2)n1 ZINC000180341270 495959152 /nfs/dbraw/zinc/95/91/52/495959152.db2.gz DNDQMWMXXVGLDO-UHFFFAOYSA-N 0 3 368.444 3.434 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-][C@H]2CCCC[C@@H]2C)cc1 ZINC000151927749 495995132 /nfs/dbraw/zinc/99/51/32/495995132.db2.gz QUDWOSVWVLMYPJ-RDJZCZTQSA-O 0 3 371.530 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000171709599 495999555 /nfs/dbraw/zinc/99/95/55/495999555.db2.gz JVLOYNBWLHDFPH-UHFFFAOYSA-N 0 3 371.403 3.077 20 30 FGEDHN COc1ccc(C[C@H](C)CN2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000186608775 496071420 /nfs/dbraw/zinc/07/14/20/496071420.db2.gz CNHVJTPHJVZBHQ-INIZCTEOSA-N 0 3 368.456 3.102 20 30 FGEDHN CC(C)n1cc(C#N)c(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000160986840 496080075 /nfs/dbraw/zinc/08/00/75/496080075.db2.gz ATEQTTVFYBFIFG-KRWDZBQOSA-N 0 3 351.454 3.186 20 30 FGEDHN C=CCC[C@H](O)CN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000152206553 496081213 /nfs/dbraw/zinc/08/12/13/496081213.db2.gz AUJYNEVZMVACKM-SFTDATJTSA-N 0 3 352.478 3.361 20 30 FGEDHN CCc1noc(C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000155866556 496092139 /nfs/dbraw/zinc/09/21/39/496092139.db2.gz GAMIVWKIHBYXKA-UHFFFAOYSA-N 0 3 355.442 3.013 20 30 FGEDHN CCOC(=O)Nc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1C#N ZINC000161073109 496097775 /nfs/dbraw/zinc/09/77/75/496097775.db2.gz GSNCEESXWIQQIO-UHFFFAOYSA-N 0 3 366.421 3.441 20 30 FGEDHN CC(C)n1cnnc1[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1 ZINC000152294595 496107013 /nfs/dbraw/zinc/10/70/13/496107013.db2.gz NEOASQKTHGJYNV-SFHVURJKSA-N 0 3 353.470 3.379 20 30 FGEDHN Cc1nnc(-c2cccc(C(=O)C(C#N)c3nc4ccccc4n3C)c2)o1 ZINC000161169486 496119261 /nfs/dbraw/zinc/11/92/61/496119261.db2.gz NETFERXRXAEGHM-HNNXBMFYSA-N 0 3 357.373 3.422 20 30 FGEDHN C=CCc1cc(CNC(=O)c2cccc(CN(C)C)c2)cc(OC)c1OC ZINC000156048410 496142904 /nfs/dbraw/zinc/14/29/04/496142904.db2.gz IJQKGMHJBAVNKO-UHFFFAOYSA-N 0 3 368.477 3.424 20 30 FGEDHN C[C@H]1C[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)CCN1C ZINC000174873723 496143700 /nfs/dbraw/zinc/14/37/00/496143700.db2.gz JNFZZXVNJLJKMM-DLBZAZTESA-N 0 3 352.482 3.152 20 30 FGEDHN COc1ccc(CN[C@H]2Cc3ccccc3[C@H]2O)cc1OCCCC#N ZINC000172069015 496151287 /nfs/dbraw/zinc/15/12/87/496151287.db2.gz KFPHCEZEZJRSKS-GHTZIAJQSA-N 0 3 352.434 3.126 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 ZINC000172112706 496169892 /nfs/dbraw/zinc/16/98/92/496169892.db2.gz FDQKAORWGGFJQR-UHFFFAOYSA-N 0 3 374.485 3.093 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000180850206 496170989 /nfs/dbraw/zinc/17/09/89/496170989.db2.gz AAGCVANEZJNRKD-MRXNPFEDSA-N 0 3 359.433 3.423 20 30 FGEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000177727810 496174979 /nfs/dbraw/zinc/17/49/79/496174979.db2.gz BRZAXFUJZMPTDG-WZQKQDCOSA-N 0 3 369.490 3.317 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000152518101 496175234 /nfs/dbraw/zinc/17/52/34/496175234.db2.gz QETSVEHSHGGQJY-QFBILLFUSA-N 0 3 355.482 3.248 20 30 FGEDHN CC#CCCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000184090455 496232779 /nfs/dbraw/zinc/23/27/79/496232779.db2.gz QSHZSTRFPRUQSE-UHFFFAOYSA-N 0 3 362.901 3.493 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cc1 ZINC000156512267 496265484 /nfs/dbraw/zinc/26/54/84/496265484.db2.gz LFFNAAJNUAAKKE-HNNXBMFYSA-N 0 3 364.371 3.213 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)CC1 ZINC000172384287 496276907 /nfs/dbraw/zinc/27/69/07/496276907.db2.gz VBEYSJXQMANZAV-WMZOPIPTSA-N 0 3 357.498 3.233 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCCC[C@H]2CO)sc2c1CCCCC2 ZINC000153135851 496363981 /nfs/dbraw/zinc/36/39/81/496363981.db2.gz YKLVFWDCLPHWDO-AWEZNQCLSA-N 0 3 361.511 3.064 20 30 FGEDHN C[C@@H]1CCC[C@H](CO)N1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000181381581 496373596 /nfs/dbraw/zinc/37/35/96/496373596.db2.gz FTLWAHJXHFHJJL-ZIAGYGMSSA-N 0 3 361.511 3.062 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000181403131 496379609 /nfs/dbraw/zinc/37/96/09/496379609.db2.gz ZUZDVNANGJXBEM-QGZVFWFLSA-N 0 3 359.514 3.187 20 30 FGEDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000178322248 496412300 /nfs/dbraw/zinc/41/23/00/496412300.db2.gz KHHBTNHREUHQDH-BEFAXECRSA-N 0 3 373.497 3.217 20 30 FGEDHN COc1cc(CN2CC[C@H](NCc3ccc(C#N)s3)C2)cc(OC)c1 ZINC000153362736 496431441 /nfs/dbraw/zinc/43/14/41/496431441.db2.gz FWVIRWJNLCKGAM-HNNXBMFYSA-N 0 3 357.479 3.001 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000578023395 505843692 /nfs/dbraw/zinc/84/36/92/505843692.db2.gz WGFCVHLZRXUFMY-HSALFYBXSA-N 0 3 368.525 3.107 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1 ZINC000157304922 496450815 /nfs/dbraw/zinc/45/08/15/496450815.db2.gz LLDLHBDMZBAXBZ-UHFFFAOYSA-N 0 3 354.450 3.161 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](CC)Oc2ccccc2Cl)CC1 ZINC000175742247 496524705 /nfs/dbraw/zinc/52/47/05/496524705.db2.gz NXWVTGRMOXXKLV-MRXNPFEDSA-N 0 3 365.905 3.447 20 30 FGEDHN C=CCOc1c(Br)cc(CNC2(CO)CCC2)cc1OCC ZINC000178639969 496526338 /nfs/dbraw/zinc/52/63/38/496526338.db2.gz VWOWDPBVLNCHJJ-UHFFFAOYSA-N 0 3 370.287 3.417 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000178676923 496536364 /nfs/dbraw/zinc/53/63/64/496536364.db2.gz QYGRPYDBZBPDNO-DKRLNXSXSA-N 0 3 360.461 3.308 20 30 FGEDHN C[C@@H]1CCN(C(=O)CNc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000163631730 496540025 /nfs/dbraw/zinc/54/00/25/496540025.db2.gz PPYIYLREOAVTBQ-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(SCC#N)c2)C1 ZINC000175782043 496543806 /nfs/dbraw/zinc/54/38/06/496543806.db2.gz ZJJMPVTVFHEYJE-QGZVFWFLSA-N 0 3 351.475 3.435 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000187752673 496557968 /nfs/dbraw/zinc/55/79/68/496557968.db2.gz SZAZUDWEKJMMCR-UGKGYDQZSA-N 0 3 370.541 3.045 20 30 FGEDHN Cc1nc(CCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000175911973 496599164 /nfs/dbraw/zinc/59/91/64/496599164.db2.gz LKSWUBAXQJUJAZ-UHFFFAOYSA-N 0 3 370.522 3.236 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)c1ccsc1 ZINC000173348892 496653779 /nfs/dbraw/zinc/65/37/79/496653779.db2.gz YTZJQJCTACUOJJ-HNNXBMFYSA-N 0 3 360.487 3.063 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1C ZINC000176070372 496669924 /nfs/dbraw/zinc/66/99/24/496669924.db2.gz BIFBHTNZMYDCJK-DGCLKSJQSA-N 0 3 352.385 3.106 20 30 FGEDHN C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(C#N)s1 ZINC000154063776 496671650 /nfs/dbraw/zinc/67/16/50/496671650.db2.gz MIHJNUTZECCTNU-WDYCEAGBSA-N 0 3 355.507 3.153 20 30 FGEDHN N#CC1(CNC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000578088969 505858881 /nfs/dbraw/zinc/85/88/81/505858881.db2.gz QWVUPGWMXPGFHW-UHFFFAOYSA-N 0 3 361.873 3.040 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000179172071 496700367 /nfs/dbraw/zinc/70/03/67/496700367.db2.gz OIYBUAMDBQDVIS-SFHVURJKSA-N 0 3 363.889 3.153 20 30 FGEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(OC)c(OC)c1 ZINC000578099617 505860737 /nfs/dbraw/zinc/86/07/37/505860737.db2.gz BWFVSTKRIUYQBQ-KRWDZBQOSA-N 0 3 350.422 3.464 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000194974064 496778378 /nfs/dbraw/zinc/77/83/78/496778378.db2.gz NAYKYMLJLWHJEZ-GJZGRUSLSA-N 0 3 357.479 3.220 20 30 FGEDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000191507616 496790323 /nfs/dbraw/zinc/79/03/23/496790323.db2.gz XCACCXFMLQYTAW-HNNXBMFYSA-N 0 3 371.485 3.266 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000188667940 496870302 /nfs/dbraw/zinc/87/03/02/496870302.db2.gz VKFMUZWKIMYLMY-MRXNPFEDSA-N 0 3 359.474 3.150 20 30 FGEDHN CN1CCCN(c2ccc(-c3noc(-c4ccc(CC#N)cc4)n3)cn2)CC1 ZINC000273729356 496887607 /nfs/dbraw/zinc/88/76/07/496887607.db2.gz ASTALVKROLYBND-UHFFFAOYSA-N 0 3 374.448 3.007 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCOC)[C@@H](C)c2ccccc2)CC1 ZINC000264410223 496894962 /nfs/dbraw/zinc/89/49/62/496894962.db2.gz STLQBVYKYPUZJT-SFHVURJKSA-N 0 3 359.514 3.446 20 30 FGEDHN N#CCCN(C(=O)CN1CC[C@H](N2CCCCC2)C1)c1cccc(Cl)c1 ZINC000264529313 496921138 /nfs/dbraw/zinc/92/11/38/496921138.db2.gz YBIUHQXIJGNOEN-IBGZPJMESA-N 0 3 374.916 3.147 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264526759 496921596 /nfs/dbraw/zinc/92/15/96/496921596.db2.gz XODWHNHRCPQSJJ-AWEZNQCLSA-N 0 3 364.396 3.252 20 30 FGEDHN CN1CC[C@@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000248135389 496959993 /nfs/dbraw/zinc/95/99/93/496959993.db2.gz XJTQSJPIOXMQOF-MRKWPUKTSA-N 0 3 361.445 3.164 20 30 FGEDHN COc1cccc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000198747268 496969994 /nfs/dbraw/zinc/96/99/94/496969994.db2.gz GEVNYBYQYFIWBC-GHTZIAJQSA-N 0 3 352.434 3.144 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC([C@H]3CCCO3)CC1)CCC2 ZINC000189146388 497023740 /nfs/dbraw/zinc/02/37/40/497023740.db2.gz MHFDCFCUYMHSOF-QGZVFWFLSA-N 0 3 373.522 3.328 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)OCC ZINC000270102937 497058763 /nfs/dbraw/zinc/05/87/63/497058763.db2.gz QVXAHMFJGHJHFQ-WMZOPIPTSA-N 0 3 350.528 3.448 20 30 FGEDHN C=C(C)[C@@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)OCC ZINC000270145471 497065987 /nfs/dbraw/zinc/06/59/87/497065987.db2.gz GTNJRVAJCDICJP-HXUWFJFHSA-N 0 3 360.498 3.201 20 30 FGEDHN C[C@H](S[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000578192098 505883363 /nfs/dbraw/zinc/88/33/63/505883363.db2.gz ASAXBJCLMQZEEW-FUHWJXTLSA-N 0 3 357.523 3.335 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2CCCCC2)cc1 ZINC000278553793 497152117 /nfs/dbraw/zinc/15/21/17/497152117.db2.gz HQZBEOUWOFZROB-CQSZACIVSA-N 0 3 363.483 3.416 20 30 FGEDHN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C2CCN(C3CC3)CC2)c1C ZINC000192590157 497157809 /nfs/dbraw/zinc/15/78/09/497157809.db2.gz SWIHUWAMXMVTRR-UHFFFAOYSA-N 0 3 363.465 3.174 20 30 FGEDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000278685697 497189724 /nfs/dbraw/zinc/18/97/24/497189724.db2.gz HDPPXNLRVNTFOE-OAHLLOKOSA-N 0 3 367.522 3.165 20 30 FGEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000249965828 497259725 /nfs/dbraw/zinc/25/97/25/497259725.db2.gz NRIDZVOYFYYHQZ-SYYKKAFVSA-N 0 3 370.541 3.198 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC2(CCO)CC2)cc1OC ZINC000190002380 497320997 /nfs/dbraw/zinc/32/09/97/497320997.db2.gz MLLGJNJHLKHAEY-UHFFFAOYSA-N 0 3 370.287 3.275 20 30 FGEDHN N#CCCn1cc(CNC[C@H]2COC3(CCCC3)O2)c(-c2ccccc2)n1 ZINC000271384098 497334781 /nfs/dbraw/zinc/33/47/81/497334781.db2.gz DXMDGHLKUNCGOU-IBGZPJMESA-N 0 3 366.465 3.239 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000572147571 505901349 /nfs/dbraw/zinc/90/13/49/505901349.db2.gz RAJDHDPWEJBVGX-LIRRHRJNSA-N 0 3 352.438 3.380 20 30 FGEDHN C#CC[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000271551014 497381273 /nfs/dbraw/zinc/38/12/73/497381273.db2.gz QPZFSYZMBSOJIA-NRFANRHFSA-N 0 3 362.477 3.362 20 30 FGEDHN CCCCOc1ncccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279271521 497389948 /nfs/dbraw/zinc/38/99/48/497389948.db2.gz JEOJTWUZHHHUNF-LJQANCHMSA-N 0 3 362.433 3.131 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000245573121 497462044 /nfs/dbraw/zinc/46/20/44/497462044.db2.gz YSPCZBBSBYQAFF-SOAMZJECSA-N 0 3 357.498 3.051 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccn2C)c(OC)c1 ZINC000193737140 497463715 /nfs/dbraw/zinc/46/37/15/497463715.db2.gz SRXRUVVZWLYICW-AZUAARDMSA-N 0 3 370.493 3.339 20 30 FGEDHN Cc1cccc2c1OC[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000581099816 505909109 /nfs/dbraw/zinc/90/91/09/505909109.db2.gz HTKVFSIHWIJJJO-FQEVSTJZSA-N 0 3 358.445 3.361 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCCC(C)(C)C#N)cc1 ZINC000272018182 497513908 /nfs/dbraw/zinc/51/39/08/497513908.db2.gz MFNMPUJLCKLPII-HNNXBMFYSA-N 0 3 351.516 3.308 20 30 FGEDHN N#CCCCCNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267386188 497539378 /nfs/dbraw/zinc/53/93/78/497539378.db2.gz VVZVQEFTKKQFLW-UHFFFAOYSA-N 0 3 372.513 3.051 20 30 FGEDHN C[C@@H]1C[C@@H]1[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(Cl)cc1 ZINC000245905536 497566983 /nfs/dbraw/zinc/56/69/83/497566983.db2.gz OLVXARAXMBZPBV-LJHODMEESA-N 0 3 358.873 3.283 20 30 FGEDHN COc1ccc([C@@H](CNCc2cc(C#N)n(C)c2)N2CCCCC2)cc1 ZINC000190681041 497570850 /nfs/dbraw/zinc/57/08/50/497570850.db2.gz HVJVOIDZKKHPEY-OAQYLSRUSA-N 0 3 352.482 3.222 20 30 FGEDHN N#C[C@]1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CC12CCCC2 ZINC000572211620 505915520 /nfs/dbraw/zinc/91/55/20/505915520.db2.gz MVAGGLPMTRATEB-QFIPXVFZSA-N 0 3 367.493 3.303 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CC(=O)N2C)C(C)C ZINC000194132514 497583156 /nfs/dbraw/zinc/58/31/56/497583156.db2.gz SYLFRTBPDGWDMS-LJQANCHMSA-N 0 3 370.497 3.026 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000190736854 497589598 /nfs/dbraw/zinc/58/95/98/497589598.db2.gz XGDLJDSIBQNLMW-QFIPXVFZSA-N 0 3 357.542 3.303 20 30 FGEDHN COc1cc(CNCc2cc(C#N)n(C)c2)ccc1OCC(F)(F)F ZINC000190747798 497592483 /nfs/dbraw/zinc/59/24/83/497592483.db2.gz XLPATBPPJZZARG-UHFFFAOYSA-N 0 3 353.344 3.136 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000190796998 497607292 /nfs/dbraw/zinc/60/72/92/497607292.db2.gz FTZUSSFVGJWIFW-SFHVURJKSA-N 0 3 359.514 3.445 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279987093 497610857 /nfs/dbraw/zinc/61/08/57/497610857.db2.gz RFNNWEPENJKNCL-UHFFFAOYSA-N 0 3 357.498 3.107 20 30 FGEDHN CO[C@@H]1CCC[C@@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000280030035 497624908 /nfs/dbraw/zinc/62/49/08/497624908.db2.gz VYGSABSQKCOSEW-WOJBJXKFSA-N 0 3 357.498 3.044 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000280136416 497661041 /nfs/dbraw/zinc/66/10/41/497661041.db2.gz QUPUVSNFXVIFIQ-QFBILLFUSA-N 0 3 363.392 3.410 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 ZINC000280170547 497670546 /nfs/dbraw/zinc/67/05/46/497670546.db2.gz XNXMGQBCZYTAMZ-YGWXTMFKSA-N 0 3 373.456 3.187 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1[C@H](C)CC[C@H]1C ZINC000246415244 497727277 /nfs/dbraw/zinc/72/72/77/497727277.db2.gz LLWXYKZGHANLMQ-BRWVUGGUSA-N 0 3 355.482 3.189 20 30 FGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000280618115 497828017 /nfs/dbraw/zinc/82/80/17/497828017.db2.gz YCGLBKUCCHXKPS-IRLDBZIGSA-N 0 3 372.472 3.368 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000329598623 497840329 /nfs/dbraw/zinc/84/03/29/497840329.db2.gz WMXLOEABYBRWEY-SPGJAERMSA-N 0 3 359.495 3.488 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CN1C1CC1 ZINC000329633079 497852392 /nfs/dbraw/zinc/85/23/92/497852392.db2.gz WZGKOKKRHHDOJA-AKKLJKOSSA-N 0 3 369.513 3.196 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 ZINC000280681658 497855675 /nfs/dbraw/zinc/85/56/75/497855675.db2.gz IJTVMZMTDBJNQG-DLBZAZTESA-N 0 3 368.399 3.455 20 30 FGEDHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3C[C@@]34CCOC4)c2)CC1 ZINC000329667028 497861307 /nfs/dbraw/zinc/86/13/07/497861307.db2.gz QLJIFSQCZRSBMJ-YLJYHZDGSA-N 0 3 357.454 3.448 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN(Cc1ccncc1)C1CC1)CCC2 ZINC000299652832 497882015 /nfs/dbraw/zinc/88/20/15/497882015.db2.gz LCTKDEJNPWRWQA-UHFFFAOYSA-N 0 3 366.490 3.497 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N[C@]2(C)CCO[C@H]2C2CC2)CN1Cc1ccccc1 ZINC000329751814 497889533 /nfs/dbraw/zinc/88/95/33/497889533.db2.gz JECAOQWMZNFFQI-PXDUREFJSA-N 0 3 357.498 3.111 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCc2c1cccc2O ZINC000329792083 497902338 /nfs/dbraw/zinc/90/23/38/497902338.db2.gz FESWCALIBKAHMT-XPGWFJOJSA-N 0 3 365.477 3.404 20 30 FGEDHN COc1ccccc1NC(=O)C1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000329820595 497912824 /nfs/dbraw/zinc/91/28/24/497912824.db2.gz YHNIKWWJJHCHHI-IYBDPMFKSA-N 0 3 373.497 3.395 20 30 FGEDHN N#CC1(NC(=O)CN(Cc2ccccc2)CC2CCOCC2)CCCCC1 ZINC000569486783 505946775 /nfs/dbraw/zinc/94/67/75/505946775.db2.gz IPEYFMQTGRESGO-UHFFFAOYSA-N 0 3 369.509 3.258 20 30 FGEDHN CC(C)c1nnc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)s1 ZINC000329821595 497914893 /nfs/dbraw/zinc/91/48/93/497914893.db2.gz YRLHFVRIUVHDHL-UHFFFAOYSA-N 0 3 373.526 3.283 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000329841778 497922308 /nfs/dbraw/zinc/92/23/08/497922308.db2.gz NPAPZNFGBGRMLE-CYBMUJFWSA-N 0 3 359.499 3.413 20 30 FGEDHN C[C@@H](CNC[C@@H](O)COc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000575248715 505950773 /nfs/dbraw/zinc/95/07/73/505950773.db2.gz QIGKRWMELXKCOH-WMLDXEAASA-N 0 3 360.841 3.008 20 30 FGEDHN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000329920230 497953611 /nfs/dbraw/zinc/95/36/11/497953611.db2.gz SBHCSHFVZICAGT-UYAOXDASSA-N 0 3 359.514 3.216 20 30 FGEDHN C[C@@H]1C(=O)CC[C@H](C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)C1(C)C ZINC000329923522 497954902 /nfs/dbraw/zinc/95/49/02/497954902.db2.gz IMNOLZZKGSWTPJ-HLLBOEOZSA-N 0 3 350.503 3.085 20 30 FGEDHN CN(C)c1cccc([C@@H]2CCCN2C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)c1 ZINC000329936155 497959213 /nfs/dbraw/zinc/95/92/13/497959213.db2.gz CXGBDMXKDQTOMK-LPHOPBHVSA-N 0 3 367.497 3.263 20 30 FGEDHN Cc1nc(N(C)C2CCN(CCc3ccccn3)CC2)c(Cl)cc1C#N ZINC000292325766 497971156 /nfs/dbraw/zinc/97/11/56/497971156.db2.gz AORYNJVOIZCHDO-UHFFFAOYSA-N 0 3 369.900 3.453 20 30 FGEDHN CC(C)Oc1ccccc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000581305713 505956966 /nfs/dbraw/zinc/95/69/66/505956966.db2.gz VFYJLQBNBDBOGB-LJQANCHMSA-N 0 3 354.450 3.069 20 30 FGEDHN CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1ccn(C2CCCC2)n1 ZINC000330043738 498001142 /nfs/dbraw/zinc/00/11/42/498001142.db2.gz CMPTZKGARMDJTK-CYBMUJFWSA-N 0 3 353.488 3.201 20 30 FGEDHN CC1(C)[C@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2CCO[C@H]21 ZINC000296388870 498023923 /nfs/dbraw/zinc/02/39/23/498023923.db2.gz UDWDHHRCUIQBKO-MORSLUCNSA-N 0 3 373.522 3.230 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)CC1 ZINC000285227444 498028144 /nfs/dbraw/zinc/02/81/44/498028144.db2.gz MZSYBWMWEWKHKY-UHFFFAOYSA-N 0 3 364.449 3.353 20 30 FGEDHN N#CC1(CCCN[C@H](CN2CCCC2=O)c2ccccc2)CCOCC1 ZINC000281148460 498035986 /nfs/dbraw/zinc/03/59/86/498035986.db2.gz BDWZPFMZNNUESC-LJQANCHMSA-N 0 3 355.482 3.040 20 30 FGEDHN Cc1cccnc1[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(C)C ZINC000330146210 498039527 /nfs/dbraw/zinc/03/95/27/498039527.db2.gz HTVOTJQCKFRFLG-GOEBONIOSA-N 0 3 368.499 3.026 20 30 FGEDHN Cc1ccn2c(c1)nnc2C1CCN(CCOc2ccccc2C#N)CC1 ZINC000364603283 498044784 /nfs/dbraw/zinc/04/47/84/498044784.db2.gz FBWMTHYDPFKNOD-UHFFFAOYSA-N 0 3 361.449 3.168 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000364607699 498046930 /nfs/dbraw/zinc/04/69/30/498046930.db2.gz OTVWWZLRNRJURG-CZTZKLFOSA-N 0 3 374.525 3.423 20 30 FGEDHN COC(=O)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000364644460 498065564 /nfs/dbraw/zinc/06/55/64/498065564.db2.gz IDJMTDPDXFEORM-UHFFFAOYSA-N 0 3 360.417 3.035 20 30 FGEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000364666242 498075867 /nfs/dbraw/zinc/07/58/67/498075867.db2.gz UWZYMTMHCJQKDY-AZUAARDMSA-N 0 3 358.530 3.420 20 30 FGEDHN CCc1ccc([C@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC000281261236 498078682 /nfs/dbraw/zinc/07/86/82/498078682.db2.gz QQNFFOBUHGWLSS-FCHUYYIVSA-N 0 3 373.456 3.403 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ccc(Br)cn3)CC2)cc1 ZINC000301375752 498081884 /nfs/dbraw/zinc/08/18/84/498081884.db2.gz SCFFHYBVXRWYGE-UHFFFAOYSA-N 0 3 371.282 3.428 20 30 FGEDHN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC000575433430 505975799 /nfs/dbraw/zinc/97/57/99/505975799.db2.gz RLGNGVOLGSMTFF-UHFFFAOYSA-N 0 3 371.504 3.362 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1 ZINC000330332178 498107564 /nfs/dbraw/zinc/10/75/64/498107564.db2.gz ORHHYDJDILDEGB-NVXWUHKLSA-N 0 3 368.481 3.444 20 30 FGEDHN C#CCOc1ccccc1CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000364722477 498113302 /nfs/dbraw/zinc/11/33/02/498113302.db2.gz KUWVJMONRSYEOO-FQEVSTJZSA-N 0 3 366.505 3.313 20 30 FGEDHN CC[C@@H]1CN(c2c(C#N)cnc3c(C)cc(C)cc32)CCN1C[C@H](C)O ZINC000301445313 498113427 /nfs/dbraw/zinc/11/34/27/498113427.db2.gz ZEJOIEMRKSSJOF-FUHWJXTLSA-N 0 3 352.482 3.005 20 30 FGEDHN N#CCc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000572485861 505980794 /nfs/dbraw/zinc/98/07/94/505980794.db2.gz DPHQMRCEZSIYHP-HXUWFJFHSA-N 0 3 365.452 3.420 20 30 FGEDHN CSCC[C@@H](NCCCC1(C#N)CCOCC1)c1nnc2ccccn21 ZINC000281360656 498119333 /nfs/dbraw/zinc/11/93/33/498119333.db2.gz NSPJVYQIORXFHU-MRXNPFEDSA-N 0 3 373.526 3.214 20 30 FGEDHN CCN1CCN(Cc2ccc(CNc3ccc(F)cc3C#N)cc2)CC1 ZINC000301505584 498140224 /nfs/dbraw/zinc/14/02/24/498140224.db2.gz GRKGBARZPGUGHI-UHFFFAOYSA-N 0 3 352.457 3.447 20 30 FGEDHN N#Cc1ccc(CNC2(Cc3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000578631906 505985370 /nfs/dbraw/zinc/98/53/70/505985370.db2.gz FGZZTRXMDAOSJJ-UHFFFAOYSA-N 0 3 351.406 3.348 20 30 FGEDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000364844372 498170141 /nfs/dbraw/zinc/17/01/41/498170141.db2.gz ZMJYXTQDAYVDJP-JMDAGXMHSA-N 0 3 350.466 3.337 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C2CC2)n1 ZINC000296741696 498178582 /nfs/dbraw/zinc/17/85/82/498178582.db2.gz CYKKGYJGTUMYCH-UHFFFAOYSA-N 0 3 363.465 3.426 20 30 FGEDHN N#Cc1cc(C(=O)N2CCC[C@H]2CN2CCCCC2)cnc1C(F)(F)F ZINC000292961296 498213212 /nfs/dbraw/zinc/21/32/12/498213212.db2.gz FXYHODHIFMFEJK-HNNXBMFYSA-N 0 3 366.387 3.063 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000289608506 498215788 /nfs/dbraw/zinc/21/57/88/498215788.db2.gz LCXPKOBIQPBUHH-QGZVFWFLSA-N 0 3 355.404 3.316 20 30 FGEDHN C[C@H](CC(=O)c1cccs1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281659567 498229207 /nfs/dbraw/zinc/22/92/07/498229207.db2.gz SHSMVJJZWNHFHV-CZUORRHYSA-N 0 3 351.431 3.080 20 30 FGEDHN CC(C)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000293206800 498305113 /nfs/dbraw/zinc/30/51/13/498305113.db2.gz RAWBZFNLARPPPS-INIZCTEOSA-N 0 3 361.511 3.184 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000289879332 498335527 /nfs/dbraw/zinc/33/55/27/498335527.db2.gz RXXHNASMQGOSAW-UHFFFAOYSA-N 0 3 351.498 3.210 20 30 FGEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000289898634 498343256 /nfs/dbraw/zinc/34/32/56/498343256.db2.gz QWHYQBQQAUDYPE-ONGXEEELSA-N 0 3 350.768 3.212 20 30 FGEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000331487635 498347644 /nfs/dbraw/zinc/34/76/44/498347644.db2.gz YAUNZSOIXOSKTB-TWOQFEAHSA-N 0 3 355.482 3.214 20 30 FGEDHN N#CC1(CCCN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CCOCC1 ZINC000282068230 498378284 /nfs/dbraw/zinc/37/82/84/498378284.db2.gz SSJRPTKQAPGTFX-GOSISDBHSA-N 0 3 374.460 3.122 20 30 FGEDHN CCN(CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1CC1 ZINC000289996109 498386181 /nfs/dbraw/zinc/38/61/81/498386181.db2.gz ZIDGEYVRBYRRCN-UHFFFAOYSA-N 0 3 365.437 3.351 20 30 FGEDHN Cc1cc(C(=O)Nc2ccccc2CN(C)C)nn1-c1cccc(C#N)c1 ZINC000569828581 506025895 /nfs/dbraw/zinc/02/58/95/506025895.db2.gz SGXGEPQSZRUJJB-UHFFFAOYSA-N 0 3 359.433 3.366 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc2ccccc12 ZINC000575889458 506027111 /nfs/dbraw/zinc/02/71/11/506027111.db2.gz LTMDFWGIMFYJEB-UHFFFAOYSA-N 0 3 361.445 3.437 20 30 FGEDHN N#Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2Cc2ccccc2)cn1 ZINC000361515732 498402719 /nfs/dbraw/zinc/40/27/19/498402719.db2.gz KQMYZODEUIEYGE-RTWAWAEBSA-N 0 3 360.461 3.222 20 30 FGEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000575901683 506030176 /nfs/dbraw/zinc/03/01/76/506030176.db2.gz UWGKNDKJMMRDDF-SFHVURJKSA-N 0 3 371.506 3.073 20 30 FGEDHN C=CCOc1ccc(CC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000297470718 498461054 /nfs/dbraw/zinc/46/10/54/498461054.db2.gz KVHIEZXBUOJNNL-UHFFFAOYSA-N 0 3 365.477 3.222 20 30 FGEDHN Cc1ncc(CN2CC[C@H](NCc3ccc(C#N)cc3F)[C@H](C)C2)s1 ZINC000362217972 498476500 /nfs/dbraw/zinc/47/65/00/498476500.db2.gz HGQCJLJMDZNPDG-YJYMSZOUSA-N 0 3 358.486 3.463 20 30 FGEDHN N#Cc1ccc(N2CCCN(Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000362389010 498508452 /nfs/dbraw/zinc/50/84/52/498508452.db2.gz KDRSTTOOWGHILQ-UHFFFAOYSA-N 0 3 358.449 3.056 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000297617956 498514202 /nfs/dbraw/zinc/51/42/02/498514202.db2.gz HBMIARSRSVQDEK-JUXOCIIHSA-N 0 3 351.494 3.487 20 30 FGEDHN C=CCN(C(=O)c1ccnn1CC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365533139 498517969 /nfs/dbraw/zinc/51/79/69/498517969.db2.gz HTFBFKBFCAXWJO-QGZVFWFLSA-N 0 3 374.435 3.051 20 30 FGEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000293882360 498520398 /nfs/dbraw/zinc/52/03/98/498520398.db2.gz JSXTUSFUMQYPIV-JOCHJYFZSA-N 0 3 374.488 3.499 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000302650791 498523291 /nfs/dbraw/zinc/52/32/91/498523291.db2.gz JXGBLKKKJJFMQF-OAHLLOKOSA-N 0 3 369.488 3.240 20 30 FGEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)C1 ZINC000332012124 498532772 /nfs/dbraw/zinc/53/27/72/498532772.db2.gz XNTZMARKRFIMRI-GASCZTMLSA-N 0 3 374.554 3.242 20 30 FGEDHN C=CCN1CCC(NC(=O)NC2CCN(c3ccc(CC)cc3)CC2)CC1 ZINC000362797192 498555713 /nfs/dbraw/zinc/55/57/13/498555713.db2.gz MEZSLUYCEBYXKX-UHFFFAOYSA-N 0 3 370.541 3.167 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000297775602 498564008 /nfs/dbraw/zinc/56/40/08/498564008.db2.gz DBXRKXLFZSVDCP-UHFFFAOYSA-N 0 3 359.514 3.045 20 30 FGEDHN Cc1ccc(NC(=O)CCN2CCC(Oc3cccc(C#N)c3)CC2)nc1 ZINC000578952318 506058628 /nfs/dbraw/zinc/05/86/28/506058628.db2.gz FLKQEXNUIZVUCY-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN N#Cc1cccc(C#N)c1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000302841220 498597480 /nfs/dbraw/zinc/59/74/80/498597480.db2.gz LZUXHONSYLLVHT-UHFFFAOYSA-N 0 3 359.477 3.050 20 30 FGEDHN N#CCc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000365774857 498634510 /nfs/dbraw/zinc/63/45/10/498634510.db2.gz VIDIPAQTRWJAGW-FCHUYYIVSA-N 0 3 359.473 3.347 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)CCC[C@H]2C)cc1 ZINC000332336630 498654813 /nfs/dbraw/zinc/65/48/13/498654813.db2.gz RVLPBGDKQNHRFG-KFWWJZLASA-N 0 3 363.483 3.415 20 30 FGEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000572905101 506079531 /nfs/dbraw/zinc/07/95/31/506079531.db2.gz SSHGBAPZWKJVDG-QGZVFWFLSA-N 0 3 371.481 3.331 20 30 FGEDHN CN(C)C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc(Cl)cc1 ZINC000282993255 498738829 /nfs/dbraw/zinc/73/88/29/498738829.db2.gz QOGHIJYFMMWONY-IBGZPJMESA-N 0 3 371.868 3.204 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NC[C@@H]3CCN(C)[C@H]3c3cccnc3)c2c1 ZINC000366076056 498764078 /nfs/dbraw/zinc/76/40/78/498764078.db2.gz FQTVPANIJYOBFR-JTSKRJEESA-N 0 3 357.461 3.337 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)CC1 ZINC000291087564 498788166 /nfs/dbraw/zinc/78/81/66/498788166.db2.gz UPZKNDYLXPGXKD-QGZVFWFLSA-N 0 3 373.501 3.224 20 30 FGEDHN Cc1nsc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1C#N ZINC000298561163 498815245 /nfs/dbraw/zinc/81/52/45/498815245.db2.gz GHDNPHKVENMSOM-UHFFFAOYSA-N 0 3 369.494 3.106 20 30 FGEDHN N#Cc1cccc(OCCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000298721271 498860036 /nfs/dbraw/zinc/86/00/36/498860036.db2.gz OHCITJRHBXRISD-GOSISDBHSA-N 0 3 365.481 3.135 20 30 FGEDHN C[C@@H]1C[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC000328621687 498878980 /nfs/dbraw/zinc/87/89/80/498878980.db2.gz XSQFXIPNOLNKCP-QZTJIDSGSA-N 0 3 351.535 3.351 20 30 FGEDHN CC1CC[NH+](C2CCC(NC(=O)c3cc(F)cc4nn[n-]c43)CC2)CC1 ZINC000328655198 498891260 /nfs/dbraw/zinc/89/12/60/498891260.db2.gz MPHRRIIZVHLSPI-UHFFFAOYSA-N 0 3 359.449 3.445 20 30 FGEDHN CC1CC[NH+](C2CCC(NC(=O)c3cc(F)cc4[n-]nnc43)CC2)CC1 ZINC000328655198 498891268 /nfs/dbraw/zinc/89/12/68/498891268.db2.gz MPHRRIIZVHLSPI-UHFFFAOYSA-N 0 3 359.449 3.445 20 30 FGEDHN CC1CC[NH+](C2CCC(NC(=O)c3cc(F)cc4n[n-]nc43)CC2)CC1 ZINC000328655198 498891274 /nfs/dbraw/zinc/89/12/74/498891274.db2.gz MPHRRIIZVHLSPI-UHFFFAOYSA-N 0 3 359.449 3.445 20 30 FGEDHN CC1(C)NC(=O)N(c2cccc(NC(=O)C3CCN(C4CC4)CC3)c2)C1=O ZINC000328714344 498911329 /nfs/dbraw/zinc/91/13/29/498911329.db2.gz DAIWREANEFRUHY-UHFFFAOYSA-N 0 3 370.453 3.188 20 30 FGEDHN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)CCC2 ZINC000328722666 498915062 /nfs/dbraw/zinc/91/50/62/498915062.db2.gz SACBTWPILYBXOV-QGZVFWFLSA-N 0 3 361.534 3.037 20 30 FGEDHN CC(C)c1nnc2ccc(NC(=O)N(CCN(C)C)C3CCCC3)cn21 ZINC000328762049 498930261 /nfs/dbraw/zinc/93/02/61/498930261.db2.gz YVCAJCRIXXMEJA-UHFFFAOYSA-N 0 3 358.490 3.204 20 30 FGEDHN N#Cc1c[nH]c(C(=O)Nc2ncccc2CN2CCc3ccccc3CC2)c1 ZINC000363729502 498964385 /nfs/dbraw/zinc/96/43/85/498964385.db2.gz POSHMWFMSAQCPJ-UHFFFAOYSA-N 0 3 371.444 3.134 20 30 FGEDHN Cn1nccc1[C@@H]1OCC[C@H]1CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000328932468 498990776 /nfs/dbraw/zinc/99/07/76/498990776.db2.gz DKMXYAJQIOAYEE-KBXCAEBGSA-N 0 3 374.510 3.028 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(CC#N)cc1 ZINC000579224722 506124365 /nfs/dbraw/zinc/12/43/65/506124365.db2.gz BHZORDDZXSRXPZ-UTKZUKDTSA-N 0 3 362.477 3.072 20 30 FGEDHN CN1CCC2(CCCN2C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 ZINC000328979290 499005455 /nfs/dbraw/zinc/00/54/55/499005455.db2.gz CUPCQYOYDRFLHD-UHFFFAOYSA-N 0 3 350.850 3.329 20 30 FGEDHN COc1ccc([C@@H](O)C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000291600049 499007081 /nfs/dbraw/zinc/00/70/81/499007081.db2.gz BVTLQFNNCKWLKC-FCHUYYIVSA-N 0 3 366.461 3.046 20 30 FGEDHN O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)NC1CCN(C2CC2)CC1 ZINC000329046562 499025039 /nfs/dbraw/zinc/02/50/39/499025039.db2.gz QARQWPWIURCUFP-KXBFYZLASA-N 0 3 361.461 3.034 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000283994848 499026598 /nfs/dbraw/zinc/02/65/98/499026598.db2.gz MENCMXFYQPAEAP-JOCHJYFZSA-N 0 3 366.509 3.438 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cnn(C)c1 ZINC000299337117 499029170 /nfs/dbraw/zinc/02/91/70/499029170.db2.gz OPLOVFVJAHBLMC-CHWSQXEVSA-N 0 3 371.510 3.157 20 30 FGEDHN Cc1nc(-c2cccc(NC(=O)N3CCCC34CCN(C)CC4)c2)no1 ZINC000329080544 499036293 /nfs/dbraw/zinc/03/62/93/499036293.db2.gz RLGMRNXXCDGUIK-UHFFFAOYSA-N 0 3 355.442 3.151 20 30 FGEDHN CC(C)[C@@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CCO1 ZINC000329109757 499045046 /nfs/dbraw/zinc/04/50/46/499045046.db2.gz GARRTQBALRJVAY-IRXDYDNUSA-N 0 3 369.575 3.055 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000329219786 499075097 /nfs/dbraw/zinc/07/50/97/499075097.db2.gz STCNCZROWVKIJG-LIRRHRJNSA-N 0 3 359.495 3.446 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000329261628 499086690 /nfs/dbraw/zinc/08/66/90/499086690.db2.gz FWNMQKDIMGYCEK-BHIYHBOVSA-N 0 3 372.513 3.252 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccnc(OC4CCCCC4)c3)[C@@H]2C1 ZINC000329275122 499089262 /nfs/dbraw/zinc/08/92/62/499089262.db2.gz JQMCUZRUKJFINJ-IEBWSBKVSA-N 0 3 372.513 3.233 20 30 FGEDHN O=C(N[C@@H]1CCN(C2CC2)C1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000329279320 499090404 /nfs/dbraw/zinc/09/04/04/499090404.db2.gz JYFGXWBGNINPKO-OAHLLOKOSA-N 0 3 354.454 3.237 20 30 FGEDHN O=C(Nc1cccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1)[C@H]1CCCO1 ZINC000329279638 499090829 /nfs/dbraw/zinc/09/08/29/499090829.db2.gz JYZSBTMUYCVDLF-RBUKOAKNSA-N 0 3 371.481 3.154 20 30 FGEDHN CC(=O)NCc1ccc([C@@H]2CCCN2CCCOc2ccc(C#N)cc2)o1 ZINC000364053037 499101840 /nfs/dbraw/zinc/10/18/40/499101840.db2.gz BRENBMXQDOVMTO-FQEVSTJZSA-N 0 3 367.449 3.393 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cnc1N1CCCC[C@@H]1C ZINC000329335449 499102491 /nfs/dbraw/zinc/10/24/91/499102491.db2.gz LGAGZVAUJUZXHM-LNLFQRSKSA-N 0 3 371.529 3.340 20 30 FGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000329350549 499105979 /nfs/dbraw/zinc/10/59/79/499105979.db2.gz DHKIWZRXYMVYMV-QAPCUYQASA-N 0 3 371.481 3.149 20 30 FGEDHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000329354717 499107365 /nfs/dbraw/zinc/10/73/65/499107365.db2.gz VMFZQMPBFXCALC-UHFFFAOYSA-N 0 3 356.426 3.039 20 30 FGEDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1CCC2(CCCC2)CC1 ZINC000329437779 499121683 /nfs/dbraw/zinc/12/16/83/499121683.db2.gz JIQKTWJEAHHZMJ-FQEVSTJZSA-N 0 3 371.525 3.323 20 30 FGEDHN CSc1ccc(N2C[C@H](C(=O)N[C@H](C)C3=CCN(C)CC3)CC2=O)cc1 ZINC000329512834 499128672 /nfs/dbraw/zinc/12/86/72/499128672.db2.gz NPQFIKKCMKWEPC-GDBMZVCRSA-N 0 3 373.522 3.368 20 30 FGEDHN C#CC[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000372541240 499143313 /nfs/dbraw/zinc/14/33/13/499143313.db2.gz VWBZZEIHRZKDIM-ACRUOGEOSA-N 0 3 362.477 3.138 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cncnc2)cc1 ZINC000369891094 499146213 /nfs/dbraw/zinc/14/62/13/499146213.db2.gz FWTBSYKDAFZJRH-IRXDYDNUSA-N 0 3 350.466 3.383 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3ccncn3)C2)cc1Cl ZINC000372576610 499148208 /nfs/dbraw/zinc/14/82/08/499148208.db2.gz BLPPPWGHIVSUOS-HNNXBMFYSA-N 0 3 369.856 3.210 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000370215467 499198198 /nfs/dbraw/zinc/19/81/98/499198198.db2.gz LXKWRAANRGTYGV-GOSISDBHSA-N 0 3 368.506 3.155 20 30 FGEDHN C=CCNC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367461487 499201634 /nfs/dbraw/zinc/20/16/34/499201634.db2.gz ACVFPSKPWZUSLQ-QGZVFWFLSA-N 0 3 356.388 3.065 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000367664526 499222694 /nfs/dbraw/zinc/22/26/94/499222694.db2.gz DZIPZUCVOKCGOB-QGZVFWFLSA-N 0 3 366.440 3.224 20 30 FGEDHN C[C@H](NC1CCS(=O)(=O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000368257248 499278898 /nfs/dbraw/zinc/27/88/98/499278898.db2.gz CGFDUZSPQSCCOT-HNNXBMFYSA-N 0 3 354.475 3.453 20 30 FGEDHN CN1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000582136264 506142203 /nfs/dbraw/zinc/14/22/03/506142203.db2.gz GSOVEUFFRBNOQA-UXHICEINSA-N 0 3 360.461 3.292 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(NC(=O)c3ccoc3)CC2)cc1 ZINC000371412268 499322870 /nfs/dbraw/zinc/32/28/70/499322870.db2.gz SRUHGQVDRGRKGJ-UHFFFAOYSA-N 0 3 352.434 3.076 20 30 FGEDHN C=CC[C@@H](C(=O)N1CCC(N2CCN(CCC)CC2)CC1)c1ccccc1 ZINC000368800275 499333811 /nfs/dbraw/zinc/33/38/11/499333811.db2.gz MUPIGFZNRIPDMF-JOCHJYFZSA-N 0 3 369.553 3.365 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2Cn2ccnc2C(C)C)CC1 ZINC000371646712 499350086 /nfs/dbraw/zinc/35/00/86/499350086.db2.gz HDJUPCWWQIXOMB-IBGZPJMESA-N 0 3 373.545 3.221 20 30 FGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000371870897 499373832 /nfs/dbraw/zinc/37/38/32/499373832.db2.gz VAPYXBIFMGLSRF-WOJBJXKFSA-N 0 3 374.529 3.381 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)CC1 ZINC000372031046 499391345 /nfs/dbraw/zinc/39/13/45/499391345.db2.gz LGXBNKNTOZOYJJ-GOSISDBHSA-N 0 3 359.518 3.181 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000372417421 499432409 /nfs/dbraw/zinc/43/24/09/499432409.db2.gz WASBVJLOPFLKSY-UHFFFAOYSA-N 0 3 364.493 3.397 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000576388187 506146378 /nfs/dbraw/zinc/14/63/78/506146378.db2.gz YDCWNQYSLHVXQA-QZTJIDSGSA-N 0 3 369.513 3.005 20 30 FGEDHN C=CC[C@H]1N(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)CCCC1(C)C ZINC000369696680 499437491 /nfs/dbraw/zinc/43/74/91/499437491.db2.gz YDNOSSRIZPXSSY-QGZVFWFLSA-N 0 3 359.518 3.170 20 30 FGEDHN N#C[C@H]1N(C(=O)c2ccc(CN3CCCC3)cc2)CCC[C@@]12CCCCO2 ZINC000373375036 499466153 /nfs/dbraw/zinc/46/61/53/499466153.db2.gz CZUDJTFLSXGCCJ-IRLDBZIGSA-N 0 3 367.493 3.350 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C[C@H]2CCCc3sc(C)nc32)CC1 ZINC000373547738 499476271 /nfs/dbraw/zinc/47/62/71/499476271.db2.gz WFFMEBRUAHHKDS-OAHLLOKOSA-N 0 3 362.543 3.163 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)CC1 ZINC000375295977 499504099 /nfs/dbraw/zinc/50/40/99/499504099.db2.gz NIVMWUPMSRJLPP-UHFFFAOYSA-N 0 3 367.424 3.100 20 30 FGEDHN CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000378534397 499529161 /nfs/dbraw/zinc/52/91/61/499529161.db2.gz CRKVEAGDFVDFDJ-YOEHRIQHSA-N 0 3 366.469 3.363 20 30 FGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@H]1CCCN1C ZINC000573233782 506149622 /nfs/dbraw/zinc/14/96/22/506149622.db2.gz OZNIHOYTJUEEGK-LSDHHAIUSA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000398005506 499565596 /nfs/dbraw/zinc/56/55/96/499565596.db2.gz ATWSVDDKHBZDMR-KBXCAEBGSA-N 0 3 351.410 3.184 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000408176242 499579243 /nfs/dbraw/zinc/57/92/43/499579243.db2.gz DOJRXPGNCHNURN-UHFFFAOYSA-N 0 3 356.470 3.295 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@@H]21 ZINC000376168338 499588287 /nfs/dbraw/zinc/58/82/87/499588287.db2.gz WFTZPBPFKXTMHA-NQIIRXRSSA-N 0 3 360.461 3.039 20 30 FGEDHN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000376730024 499632515 /nfs/dbraw/zinc/63/25/15/499632515.db2.gz VJMHDZFSCIMQAD-SJORKVTESA-N 0 3 364.474 3.242 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000377151380 499666201 /nfs/dbraw/zinc/66/62/01/499666201.db2.gz CSAKYXXPHPPFDW-NJDAHSKKSA-N 0 3 361.445 3.001 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000377358633 499682904 /nfs/dbraw/zinc/68/29/04/499682904.db2.gz PFBFLHGXFMQFKM-FQEVSTJZSA-N 0 3 360.461 3.215 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000377496233 499697361 /nfs/dbraw/zinc/69/73/61/499697361.db2.gz QMHCBXPOBYIJHB-BHIYHBOVSA-N 0 3 362.539 3.448 20 30 FGEDHN COCCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1 ZINC000411176152 499706862 /nfs/dbraw/zinc/70/68/62/499706862.db2.gz SEEOSJPPGCHGFK-CYBMUJFWSA-N 0 3 361.511 3.184 20 30 FGEDHN COc1cc(CN[C@H]2CCCN(c3ccccc3C#N)C2)cc(OC)c1O ZINC000377655462 499716238 /nfs/dbraw/zinc/71/62/38/499716238.db2.gz WDBSVJVSAQVVNW-KRWDZBQOSA-N 0 3 367.449 3.040 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@@H](CCO)c2ccccc2)cc1Cl ZINC000411440942 499740961 /nfs/dbraw/zinc/74/09/61/499740961.db2.gz CPQAHWZWOOAAKN-SFHVURJKSA-N 0 3 357.841 3.254 20 30 FGEDHN C=CCC[C@H](NCCC(=O)NC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000411477288 499745448 /nfs/dbraw/zinc/74/54/48/499745448.db2.gz CTIIIAKWPUZUCT-AWEZNQCLSA-N 0 3 357.376 3.148 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000411988842 499810423 /nfs/dbraw/zinc/81/04/23/499810423.db2.gz WKCITZBEMHMRAW-MRXNPFEDSA-N 0 3 368.506 3.155 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000414833494 499835750 /nfs/dbraw/zinc/83/57/50/499835750.db2.gz SFNNAHMMUDACOL-UHFFFAOYSA-N 0 3 373.472 3.005 20 30 FGEDHN CCOC(=O)c1ccc(C#N)c(S[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000412990773 499903176 /nfs/dbraw/zinc/90/31/76/499903176.db2.gz PUXLHOPRHPHUIP-QGZVFWFLSA-N 0 3 367.474 3.497 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2)C2CCCC2)nc1 ZINC000579399942 506165471 /nfs/dbraw/zinc/16/54/71/506165471.db2.gz WERCJBBSXMOLIZ-FQEVSTJZSA-N 0 3 369.490 3.248 20 30 FGEDHN C[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC000413290405 499937855 /nfs/dbraw/zinc/93/78/55/499937855.db2.gz ADGFWBWIAGYBOP-IATRGZMQSA-N 0 3 364.287 3.391 20 30 FGEDHN C=CCC1(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CCOCC1 ZINC000424883214 499962995 /nfs/dbraw/zinc/96/29/95/499962995.db2.gz ZSBHVVRJYHCHGZ-LJQANCHMSA-N 0 3 356.510 3.340 20 30 FGEDHN CN1C[C@@H]2CCCN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@@H]2C1 ZINC000425066177 500010565 /nfs/dbraw/zinc/01/05/65/500010565.db2.gz NMQAGIBJYDKIJM-OXJNMPFZSA-N 0 3 350.466 3.111 20 30 FGEDHN C=CCN1CCC(Nc2ncc(C)cc2I)CC1 ZINC000425231220 500051064 /nfs/dbraw/zinc/05/10/64/500051064.db2.gz RZXRYNKEBXJKQP-UHFFFAOYSA-N 0 3 357.239 3.057 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000425269275 500061055 /nfs/dbraw/zinc/06/10/55/500061055.db2.gz QMBMPQUFBYQVSJ-OALUTQOASA-N 0 3 362.433 3.425 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)CCc2ccc(C#N)cc2)c(F)c1 ZINC000413899880 500090944 /nfs/dbraw/zinc/09/09/44/500090944.db2.gz JKOFXGAAXGWSIJ-UHFFFAOYSA-N 0 3 355.413 3.209 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000417588875 500118670 /nfs/dbraw/zinc/11/86/70/500118670.db2.gz DCXUFNGHTHFXEX-LJQANCHMSA-N 0 3 353.466 3.313 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000421702090 500121737 /nfs/dbraw/zinc/12/17/37/500121737.db2.gz JIRVUJXESZBQHB-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000422216641 500235967 /nfs/dbraw/zinc/23/59/67/500235967.db2.gz JSYDQTWSQJEVDA-MRXNPFEDSA-N 0 3 362.886 3.375 20 30 FGEDHN CN(C)CCNC(=O)c1cccc(CNc2cccc(C(F)F)c2C#N)c1 ZINC000570527119 506187979 /nfs/dbraw/zinc/18/79/79/506187979.db2.gz GHKRCWSZNNJHTH-UHFFFAOYSA-N 0 3 372.419 3.399 20 30 FGEDHN CCCC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)Nc1cc(C)on1 ZINC000419383332 500359927 /nfs/dbraw/zinc/35/99/27/500359927.db2.gz ZZIRPLUQWHATCN-MOPGFXCFSA-N 0 3 366.465 3.441 20 30 FGEDHN CN(C)CCN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 ZINC000419629683 500386153 /nfs/dbraw/zinc/38/61/53/500386153.db2.gz CAWRLHOHWBQBJM-HXUWFJFHSA-N 0 3 354.498 3.451 20 30 FGEDHN CCC(CC)n1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000431788536 500425125 /nfs/dbraw/zinc/42/51/25/500425125.db2.gz ZOJRBCVWLSMDBY-UHFFFAOYSA-N 0 3 367.497 3.320 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000424096133 500452305 /nfs/dbraw/zinc/45/23/05/500452305.db2.gz XRJUMWDICDLPNI-LSDHHAIUSA-N 0 3 350.260 3.134 20 30 FGEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000424121646 500457352 /nfs/dbraw/zinc/45/73/52/500457352.db2.gz IAYUAMGWEJBLMH-KRWDZBQOSA-N 0 3 361.559 3.487 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000424128461 500458170 /nfs/dbraw/zinc/45/81/70/500458170.db2.gz RDMBPPGFZWQDGI-HNNXBMFYSA-N 0 3 353.388 3.264 20 30 FGEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424146110 500459859 /nfs/dbraw/zinc/45/98/59/500459859.db2.gz OYSDPVVOOBJKDK-YJBOKZPZSA-N 0 3 353.470 3.302 20 30 FGEDHN CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1C(F)(F)F ZINC000424156109 500461191 /nfs/dbraw/zinc/46/11/91/500461191.db2.gz QIAYOXQLRDRQKK-GXTWGEPZSA-N 0 3 357.376 3.000 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000424190659 500465658 /nfs/dbraw/zinc/46/56/58/500465658.db2.gz QANNHFJRCMSBIW-WMZOPIPTSA-N 0 3 369.444 3.291 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000576606902 506197318 /nfs/dbraw/zinc/19/73/18/506197318.db2.gz VWOMYFVVTSDHMA-QFBILLFUSA-N 0 3 372.465 3.458 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000428220550 500483541 /nfs/dbraw/zinc/48/35/41/500483541.db2.gz IEQAPGIUKVDBEJ-CALCHBBNSA-N 0 3 359.489 3.409 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCN(C(C)C)CC2)c1 ZINC000428237978 500485317 /nfs/dbraw/zinc/48/53/17/500485317.db2.gz BZIKTAVLNJVHKM-FQEVSTJZSA-N 0 3 370.541 3.355 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000570573745 506198475 /nfs/dbraw/zinc/19/84/75/506198475.db2.gz RXYLVIQSWIPYBQ-JOCHJYFZSA-N 0 3 361.489 3.254 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000432346049 500502264 /nfs/dbraw/zinc/50/22/64/500502264.db2.gz KDEABWBDONZMGY-LJQANCHMSA-N 0 3 359.514 3.179 20 30 FGEDHN Cc1cc(CN)cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000424436707 500505255 /nfs/dbraw/zinc/50/52/55/500505255.db2.gz MRAGVKDBAHUYCL-UHFFFAOYSA-N 0 3 364.449 3.401 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)s1 ZINC000420893873 500524051 /nfs/dbraw/zinc/52/40/51/500524051.db2.gz WLJDWDHRHNQQER-UHFFFAOYSA-N 0 3 354.479 3.037 20 30 FGEDHN N#CC[C@H](CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccccc1 ZINC000428548220 500525092 /nfs/dbraw/zinc/52/50/92/500525092.db2.gz OLIDFTVCQUMSSL-TZIWHRDSSA-N 0 3 363.461 3.279 20 30 FGEDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCC(=O)Nc1ccccc1C#N ZINC000420929155 500533038 /nfs/dbraw/zinc/53/30/38/500533038.db2.gz PZGRCOMASVGQBC-DOTOQJQBSA-N 0 3 371.481 3.329 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCc2cccc(OC(F)F)c2)CC1 ZINC000424652925 500535966 /nfs/dbraw/zinc/53/59/66/500535966.db2.gz ROFBJORBOZUCOE-UHFFFAOYSA-N 0 3 352.425 3.377 20 30 FGEDHN Cc1c(NC(=O)C(C#N)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000433118840 500630165 /nfs/dbraw/zinc/63/01/65/500630165.db2.gz ZOKZVPFYDAEELR-SFHVURJKSA-N 0 3 374.444 3.196 20 30 FGEDHN COc1ccc(OCCN(C)C(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433121032 500630504 /nfs/dbraw/zinc/63/05/04/500630504.db2.gz QJDAZPHHYBUHOX-SFHVURJKSA-N 0 3 352.434 3.305 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000433224802 500650790 /nfs/dbraw/zinc/65/07/90/500650790.db2.gz DBRJPIKBOSXGIU-HXUWFJFHSA-N 0 3 367.493 3.010 20 30 FGEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1C#N ZINC000443010882 500663285 /nfs/dbraw/zinc/66/32/85/500663285.db2.gz FUKNSNYTEBKMAS-UHFFFAOYSA-N 0 3 371.506 3.091 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000437614899 500669337 /nfs/dbraw/zinc/66/93/37/500669337.db2.gz GORBXDUUNHEOKQ-AZUAARDMSA-N 0 3 371.525 3.104 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000437638273 500673374 /nfs/dbraw/zinc/67/33/74/500673374.db2.gz WCCHDFUEJTUSBH-AQNXPRMDSA-N 0 3 359.514 3.350 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000433345797 500677313 /nfs/dbraw/zinc/67/73/13/500677313.db2.gz ZVTIQEHXTROLNV-FXAWDEMLSA-N 0 3 352.409 3.498 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000433352407 500678773 /nfs/dbraw/zinc/67/87/73/500678773.db2.gz JDSNMHZJEBVTPL-FQEVSTJZSA-N 0 3 367.493 3.010 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000433360824 500680608 /nfs/dbraw/zinc/68/06/08/500680608.db2.gz BKKHZJXBYDYJGS-LJQANCHMSA-N 0 3 371.444 3.060 20 30 FGEDHN Cc1cc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1C#N ZINC000443988643 500787975 /nfs/dbraw/zinc/78/79/75/500787975.db2.gz MIIPDDYSCAGLHS-HXUWFJFHSA-N 0 3 369.415 3.426 20 30 FGEDHN Cc1ccc(F)c(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000448726792 500815418 /nfs/dbraw/zinc/81/54/18/500815418.db2.gz TZAFCKNWYGRTHO-UHFFFAOYSA-N 0 3 353.441 3.139 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)(F)F)nc1 ZINC000448817933 500843086 /nfs/dbraw/zinc/84/30/86/500843086.db2.gz ZEYVSMHHVDLXQI-UHFFFAOYSA-N 0 3 372.419 3.269 20 30 FGEDHN CN(C)CCOc1ccccc1N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444663878 500875495 /nfs/dbraw/zinc/87/54/95/500875495.db2.gz PRYHNIXNJVVKJT-UHFFFAOYSA-N 0 3 372.557 3.469 20 30 FGEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1cccc(C#N)n1 ZINC000602579583 506223061 /nfs/dbraw/zinc/22/30/61/506223061.db2.gz BAVNRJDTGBQOIB-UHFFFAOYSA-N 0 3 350.344 3.314 20 30 FGEDHN COCC1(C)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434986717 500919754 /nfs/dbraw/zinc/91/97/54/500919754.db2.gz PSXINGXHSXCJQO-UHFFFAOYSA-N 0 3 353.470 3.107 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@H]2CN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000439664151 500923942 /nfs/dbraw/zinc/92/39/42/500923942.db2.gz UPNQKQDOOBNEBM-HBMCJLEFSA-N 0 3 363.461 3.151 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000611617993 506229090 /nfs/dbraw/zinc/22/90/90/506229090.db2.gz QMORMUDPXDAYTA-HXUWFJFHSA-N 0 3 372.472 3.016 20 30 FGEDHN CS[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1N1CCCC1 ZINC000445609021 501010537 /nfs/dbraw/zinc/01/05/37/501010537.db2.gz QLSDVRZQTNBHRB-SJORKVTESA-N 0 3 374.460 3.401 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCO[C@H]2C=C)cc1OC ZINC000449518154 501023203 /nfs/dbraw/zinc/02/32/03/501023203.db2.gz IMSKBPZFKRWDNA-CABCVRRESA-N 0 3 368.271 3.456 20 30 FGEDHN COc1cc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000440621981 501030136 /nfs/dbraw/zinc/03/01/36/501030136.db2.gz DDSFTIGXXGLYKX-YLJYHZDGSA-N 0 3 369.852 3.282 20 30 FGEDHN CCn1c(CCNC(=O)C(C#N)CCc2ccccc2)nc2ccccc21 ZINC000435925893 501047529 /nfs/dbraw/zinc/04/75/29/501047529.db2.gz HICAZHMMDYRRRT-SFHVURJKSA-N 0 3 360.461 3.487 20 30 FGEDHN C=CCC[C@@H](CO)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000449698812 501064952 /nfs/dbraw/zinc/06/49/52/501064952.db2.gz OVBSNYBDJRDMAQ-HNNXBMFYSA-N 0 3 350.260 3.052 20 30 FGEDHN C=CCC[C@@H](CO)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000449698557 501065093 /nfs/dbraw/zinc/06/50/93/501065093.db2.gz OBIUPBKYUAIVFL-KRWDZBQOSA-N 0 3 353.388 3.367 20 30 FGEDHN C=CCC1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCCC1 ZINC000449761159 501079361 /nfs/dbraw/zinc/07/93/61/501079361.db2.gz VGXZXWVUBITUTB-UHFFFAOYSA-N 0 3 369.509 3.459 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC000449824919 501098468 /nfs/dbraw/zinc/09/84/68/501098468.db2.gz ATWWIGXASLJGSC-SFHVURJKSA-N 0 3 369.509 3.459 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@](C)(CC)COc1ncccc1Cl ZINC000441308371 501118424 /nfs/dbraw/zinc/11/84/24/501118424.db2.gz MZMQZKRTHZKRBN-GOSISDBHSA-N 0 3 353.894 3.297 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000449907980 501123400 /nfs/dbraw/zinc/12/34/00/501123400.db2.gz RBEOMRQMXLRLRU-KXBFYZLASA-N 0 3 350.466 3.320 20 30 FGEDHN Cc1cc(NC(=O)N2CCN(C3CCCCC3)CC2)c(C#N)cc1N(C)C ZINC000436497110 501139329 /nfs/dbraw/zinc/13/93/29/501139329.db2.gz KONAMYGIHYTVAY-UHFFFAOYSA-N 0 3 369.513 3.415 20 30 FGEDHN C=CCC1(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CCCC1 ZINC000450522176 501144008 /nfs/dbraw/zinc/14/40/08/501144008.db2.gz WPPADCSPLPKRMS-HXUWFJFHSA-N 0 3 356.510 3.396 20 30 FGEDHN CC1CCC(N(CC(=O)NC2(C#N)CCCCC2)C[C@@H]2CCCO2)CC1 ZINC000441468741 501144483 /nfs/dbraw/zinc/14/44/83/501144483.db2.gz UOSXAPKJGABQIH-ACBHZAAOSA-N 0 3 361.530 3.389 20 30 FGEDHN COCC[C@@]1(NCc2cccc(OCc3cccc(C#N)c3)c2)CCOC1 ZINC000447074431 501201103 /nfs/dbraw/zinc/20/11/03/501201103.db2.gz AXFJUNSGKUHTEF-JOCHJYFZSA-N 0 3 366.461 3.422 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000450275725 501223859 /nfs/dbraw/zinc/22/38/59/501223859.db2.gz KMWJPBRGFKIHRU-IRLDBZIGSA-N 0 3 350.462 3.356 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000451141755 501247802 /nfs/dbraw/zinc/24/78/02/501247802.db2.gz HVFWUTZTOSZFGU-UHFFFAOYSA-N 0 3 365.481 3.286 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC2(C)C)cc1 ZINC000455264533 501258537 /nfs/dbraw/zinc/25/85/37/501258537.db2.gz ZUUYNDCXNCYKMX-KGLIPLIRSA-N 0 3 363.483 3.320 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](OC)C(C)(C)C1)C(C)C ZINC000457745731 501299625 /nfs/dbraw/zinc/29/96/25/501299625.db2.gz LFYKKTDYCNGQLE-QZTJIDSGSA-N 0 3 351.535 3.142 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C12CCC2 ZINC000451479820 501301949 /nfs/dbraw/zinc/30/19/49/501301949.db2.gz NHYKPFIINVZRLG-QXAKKESOSA-N 0 3 355.482 3.259 20 30 FGEDHN C=CC(C)(C)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453310539 501312628 /nfs/dbraw/zinc/31/26/28/501312628.db2.gz ROZKLJNJXNWPHH-ZDUSSCGKSA-N 0 3 358.301 3.469 20 30 FGEDHN CC(C)[C@@H](CO)[C@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000451602359 501334729 /nfs/dbraw/zinc/33/47/29/501334729.db2.gz VJHXJUXHQHKNME-FDQGKXFDSA-N 0 3 365.905 3.417 20 30 FGEDHN OC[C@H]([C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CC1)C1CC1 ZINC000451604197 501335175 /nfs/dbraw/zinc/33/51/75/501335175.db2.gz KFKNUFYWXLDWBF-ROUUACIJSA-N 0 3 353.384 3.323 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000453468093 501340352 /nfs/dbraw/zinc/34/03/52/501340352.db2.gz SKWAWKOTBQDBLX-SFHVURJKSA-N 0 3 359.518 3.160 20 30 FGEDHN C=C(C)[C@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccc(F)c(F)c1 ZINC000455652948 501357452 /nfs/dbraw/zinc/35/74/52/501357452.db2.gz CWXYBSJURAAZMO-KRWDZBQOSA-N 0 3 363.412 3.162 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCC[C@H]1C(=O)OCC ZINC000451769917 501369088 /nfs/dbraw/zinc/36/90/88/501369088.db2.gz BNSUVOYCHLNNHG-CABCVRRESA-N 0 3 362.495 3.225 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@H]2C1 ZINC000455773314 501383177 /nfs/dbraw/zinc/38/31/77/501383177.db2.gz PLWCXYMKSTXGAZ-PBHICJAKSA-N 0 3 356.470 3.293 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)N(C)C)cc1 ZINC000455787070 501385990 /nfs/dbraw/zinc/38/59/90/501385990.db2.gz MVTYANTWQPAIGL-QGZVFWFLSA-N 0 3 357.845 3.340 20 30 FGEDHN N#Cc1cccc(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000602661563 506250081 /nfs/dbraw/zinc/25/00/81/506250081.db2.gz FIENXKPUVHMJNI-MRXNPFEDSA-N 0 3 350.470 3.499 20 30 FGEDHN N#Cc1cccc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000602661563 506250088 /nfs/dbraw/zinc/25/00/88/506250088.db2.gz FIENXKPUVHMJNI-MRXNPFEDSA-N 0 3 350.470 3.499 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000451977324 501412130 /nfs/dbraw/zinc/41/21/30/501412130.db2.gz NGEWUVDPQDICDR-UYAOXDASSA-N 0 3 355.507 3.273 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000456321450 501497686 /nfs/dbraw/zinc/49/76/86/501497686.db2.gz CRNLHIVGOHFLDT-LJQANCHMSA-N 0 3 361.489 3.471 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000456326870 501499507 /nfs/dbraw/zinc/49/95/07/501499507.db2.gz GVHVBDPEYNATOU-AVRDEDQJSA-N 0 3 351.494 3.441 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000456333394 501501063 /nfs/dbraw/zinc/50/10/63/501501063.db2.gz LLMXSDPTDBQCPF-INIZCTEOSA-N 0 3 351.425 3.291 20 30 FGEDHN COc1cc2c(cc1OC)[C@H](N1CC[C@@H](Oc3ccc(C#N)cn3)C1)CC2 ZINC000602673493 506256747 /nfs/dbraw/zinc/25/67/47/506256747.db2.gz UWKAZEXPYNJSOD-SJLPKXTDSA-N 0 3 365.433 3.111 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000456478256 501533864 /nfs/dbraw/zinc/53/38/64/501533864.db2.gz NLZABUXFTQPADN-QUCCMNQESA-N 0 3 352.409 3.498 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2c(F)cccc2F)CC1 ZINC000592815479 506259058 /nfs/dbraw/zinc/25/90/58/506259058.db2.gz KRGKSZYIBDDDJU-KRWDZBQOSA-N 0 3 369.415 3.386 20 30 FGEDHN COc1cccc([C@H]2C[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2)c1 ZINC000456505062 501538416 /nfs/dbraw/zinc/53/84/16/501538416.db2.gz GXWDXLRFMGVPRD-UFYCRDLUSA-N 0 3 359.429 3.312 20 30 FGEDHN COc1cccc([C@H]2C[C@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2)c1 ZINC000456505065 501538507 /nfs/dbraw/zinc/53/85/07/501538507.db2.gz GXWDXLRFMGVPRD-VAMGGRTRSA-N 0 3 359.429 3.312 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458902123 501555934 /nfs/dbraw/zinc/55/59/34/501555934.db2.gz SLXDORFTMBUOIX-SQNIBIBYSA-N 0 3 363.527 3.044 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1F ZINC000456826913 501606696 /nfs/dbraw/zinc/60/66/96/501606696.db2.gz CNGABTGZUKFHCC-GOSISDBHSA-N 0 3 369.415 3.365 20 30 FGEDHN Cc1cccc2c1C[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)CO2 ZINC000598987717 506263481 /nfs/dbraw/zinc/26/34/81/506263481.db2.gz UWIJWNUILXRASE-IBGZPJMESA-N 0 3 373.460 3.261 20 30 FGEDHN COc1cc(F)cc(C[C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000457050887 501640846 /nfs/dbraw/zinc/64/08/46/501640846.db2.gz ADLCZPLUGGFPEK-RDTXWAMCSA-N 0 3 365.408 3.136 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454896804 501651451 /nfs/dbraw/zinc/65/14/51/501651451.db2.gz JAZFLCUBLMXBOO-NRSPTQNISA-N 0 3 371.525 3.131 20 30 FGEDHN C=CCCC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457121105 501654471 /nfs/dbraw/zinc/65/44/71/501654471.db2.gz UMAPTXAADFCNDS-UHFFFAOYSA-N 0 3 361.917 3.419 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C1 ZINC000459459009 501657536 /nfs/dbraw/zinc/65/75/36/501657536.db2.gz HQRGFCBVQPWTJT-YESZJQIVSA-N 0 3 374.554 3.434 20 30 FGEDHN CC#CCN(C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000455004830 501670238 /nfs/dbraw/zinc/67/02/38/501670238.db2.gz SPEMZRAOBPXMOA-IBGZPJMESA-N 0 3 365.481 3.126 20 30 FGEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H](C)CCCc2cccnc2)c(C#N)c1C ZINC000459638731 501691215 /nfs/dbraw/zinc/69/12/15/501691215.db2.gz JHKCSVNLGQTEHX-ZFWWWQNUSA-N 0 3 354.454 3.491 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)CCCc2cccnc2)c(C#N)c1C ZINC000459638731 501691217 /nfs/dbraw/zinc/69/12/17/501691217.db2.gz JHKCSVNLGQTEHX-ZFWWWQNUSA-N 0 3 354.454 3.491 20 30 FGEDHN Cn1cc(CN2CC[C@H](OCc3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000602716128 506272019 /nfs/dbraw/zinc/27/20/19/506272019.db2.gz UAQVFPRHPAJKOF-NRFANRHFSA-N 0 3 373.460 3.145 20 30 FGEDHN CC(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(F)(F)F ZINC000470775570 501798640 /nfs/dbraw/zinc/79/86/40/501798640.db2.gz ZMCIZKFZXKOXOF-LLVKDONJSA-N 0 3 353.344 3.406 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460396548 501813930 /nfs/dbraw/zinc/81/39/30/501813930.db2.gz YZQZBUNFKMCTEH-JKSUJKDBSA-N 0 3 359.543 3.425 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2sccc2Br)cc1 ZINC000470901541 501847188 /nfs/dbraw/zinc/84/71/88/501847188.db2.gz HRWJWUJKDGVVLV-CYBMUJFWSA-N 0 3 374.263 3.381 20 30 FGEDHN Cc1sc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc1C(C)C ZINC000470936837 501861325 /nfs/dbraw/zinc/86/13/25/501861325.db2.gz GZFJMNBKJBCWAS-INIZCTEOSA-N 0 3 352.463 3.445 20 30 FGEDHN Cc1nc2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2o1 ZINC000470941223 501863909 /nfs/dbraw/zinc/86/39/09/501863909.db2.gz UHRIYHRTGYFXAC-UHFFFAOYSA-N 0 3 362.433 3.212 20 30 FGEDHN COc1cc(CNC(=O)c2oc3ccccc3c2CN(C)C)ccc1C#N ZINC000460613568 501876262 /nfs/dbraw/zinc/87/62/62/501876262.db2.gz ICFNPRYHJWHZJG-UHFFFAOYSA-N 0 3 363.417 3.305 20 30 FGEDHN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470972235 501876673 /nfs/dbraw/zinc/87/66/73/501876673.db2.gz RNVBLOYLRKXVCH-AGHHOFFYSA-N 0 3 359.429 3.096 20 30 FGEDHN CCN(c1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cn1)C(C)C ZINC000478096451 501880723 /nfs/dbraw/zinc/88/07/23/501880723.db2.gz NFHRVMFNJXFOSV-INIZCTEOSA-N 0 3 366.469 3.124 20 30 FGEDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470981421 501881767 /nfs/dbraw/zinc/88/17/67/501881767.db2.gz CPAKYZZUOLMMER-GBESFXJTSA-N 0 3 353.466 3.198 20 30 FGEDHN Cc1nccn1CCCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471010405 501891260 /nfs/dbraw/zinc/89/12/60/501891260.db2.gz WALKGGSNARVVJS-LJQANCHMSA-N 0 3 357.889 3.118 20 30 FGEDHN CN1CC[C@@H](NC(=O)N2CCc3c(CC#N)cccc3C2)[C@H]1c1ccccc1 ZINC000599021011 506281579 /nfs/dbraw/zinc/28/15/79/506281579.db2.gz RQHWDVMIAZYPAQ-FGZHOGPDSA-N 0 3 374.488 3.266 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460780413 501919867 /nfs/dbraw/zinc/91/98/67/501919867.db2.gz RFTUFTSCELRSQA-SFHVURJKSA-N 0 3 369.488 3.257 20 30 FGEDHN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471100759 501919955 /nfs/dbraw/zinc/91/99/55/501919955.db2.gz DTGVIDJHVQXOPB-OAHLLOKOSA-N 0 3 357.335 3.316 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(-c2n[nH]c(C)n2)c1)C(C)C ZINC000474697933 501925075 /nfs/dbraw/zinc/92/50/75/501925075.db2.gz PKXXTTFASGIACK-LJQANCHMSA-N 0 3 367.497 3.209 20 30 FGEDHN COc1cccc(Cl)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471163283 501942122 /nfs/dbraw/zinc/94/21/22/501942122.db2.gz ZRAVVZAWLSIPDK-HNNXBMFYSA-N 0 3 353.809 3.219 20 30 FGEDHN C[C@@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000471244156 501965844 /nfs/dbraw/zinc/96/58/44/501965844.db2.gz LXORMIXFQGPZNI-YLJYHZDGSA-N 0 3 362.477 3.441 20 30 FGEDHN CN1CCC(Oc2ccc(NCc3c(F)cc(C#N)cc3F)cn2)CC1 ZINC000485951260 501998059 /nfs/dbraw/zinc/99/80/59/501998059.db2.gz NBCZYUNFLVNGRJ-UHFFFAOYSA-N 0 3 358.392 3.317 20 30 FGEDHN C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCC[C@H](C)C1 ZINC000468251994 502006233 /nfs/dbraw/zinc/00/62/33/502006233.db2.gz LNBYHIRQHDRCNO-GJZGRUSLSA-N 0 3 352.438 3.063 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464836257 502111386 /nfs/dbraw/zinc/11/13/86/502111386.db2.gz WECIYNOYQRQPFQ-UXHICEINSA-N 0 3 355.526 3.172 20 30 FGEDHN CN(Cc1ccc(Br)o1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471738501 502124071 /nfs/dbraw/zinc/12/40/71/502124071.db2.gz BMKCEHKIVRTIHY-AWEZNQCLSA-N 0 3 372.222 3.255 20 30 FGEDHN CCC[C@@H](CN1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 ZINC000471825315 502146728 /nfs/dbraw/zinc/14/67/28/502146728.db2.gz JMIKJLFAFCUTCB-IBGZPJMESA-N 0 3 351.498 3.306 20 30 FGEDHN N#CC1(CS(=O)(=O)NC2CCN(CC3CCCC3)CC2)CCCCC1 ZINC000475569784 502215494 /nfs/dbraw/zinc/21/54/94/502215494.db2.gz QMZHUPHHJCFIBR-UHFFFAOYSA-N 0 3 367.559 3.034 20 30 FGEDHN C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)N1CCCCCC1 ZINC000469316946 502372517 /nfs/dbraw/zinc/37/25/17/502372517.db2.gz VLISZSSLFOEDNG-WMZOPIPTSA-N 0 3 372.488 3.047 20 30 FGEDHN C[C@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000462267047 502374378 /nfs/dbraw/zinc/37/43/78/502374378.db2.gz GUFIOJDWAMPMEN-KRWDZBQOSA-N 0 3 362.477 3.432 20 30 FGEDHN Cn1cc(CN[C@H]2CCN(c3cccc(Br)c3)C2)cc1C#N ZINC000487181674 502383082 /nfs/dbraw/zinc/38/30/82/502383082.db2.gz ROVGKHOXBJQXPW-HNNXBMFYSA-N 0 3 359.271 3.028 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(F)ccc2SC)CC1 ZINC000465855492 502403934 /nfs/dbraw/zinc/40/39/34/502403934.db2.gz CDJWULOGKIMUFL-UHFFFAOYSA-N 0 3 351.491 3.387 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2C(F)F)cc1 ZINC000483478470 502404597 /nfs/dbraw/zinc/40/45/97/502404597.db2.gz RNEAXLMHXKZAPD-RISCZKNCSA-N 0 3 371.409 3.024 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000483529610 502423364 /nfs/dbraw/zinc/42/33/64/502423364.db2.gz IPUGLEZTZFRNDY-IJEWVQPXSA-N 0 3 363.483 3.415 20 30 FGEDHN COc1ccccc1C[C@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000476264831 502435656 /nfs/dbraw/zinc/43/56/56/502435656.db2.gz UKNDZCBKHXFQNB-WOJBJXKFSA-N 0 3 366.461 3.014 20 30 FGEDHN CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCN1C ZINC000487945592 502575143 /nfs/dbraw/zinc/57/51/43/502575143.db2.gz AQKFNWOUJCDGSD-WMZOPIPTSA-N 0 3 374.554 3.149 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000469880517 502580653 /nfs/dbraw/zinc/58/06/53/502580653.db2.gz JTBSSXAEQBZRNV-HXUWFJFHSA-N 0 3 367.424 3.273 20 30 FGEDHN N#Cc1nc(NCC2(N3CCSCC3)CCCCC2)ccc1Cl ZINC000484591037 502678581 /nfs/dbraw/zinc/67/85/81/502678581.db2.gz MOFCLKMOOROIEZ-UHFFFAOYSA-N 0 3 350.919 3.192 20 30 FGEDHN COc1ccc([C@@H](CNC(=O)NCC2(C#N)CCCC2)N2CCCC2)cc1 ZINC000592999745 506328006 /nfs/dbraw/zinc/32/80/06/506328006.db2.gz UAQWOTCJTUKAQG-LJQANCHMSA-N 0 3 370.497 3.215 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccncc1 ZINC000588765999 506330562 /nfs/dbraw/zinc/33/05/62/506330562.db2.gz SEFLBVZUXQNLOC-UHFFFAOYSA-N 0 3 357.527 3.222 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000484631443 502689896 /nfs/dbraw/zinc/68/98/96/502689896.db2.gz IGHNQFVXLOUCAL-SBHAEUEKSA-N 0 3 355.482 3.083 20 30 FGEDHN C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1[C@H]1COc2ccccc2O1 ZINC000473798707 502709805 /nfs/dbraw/zinc/70/98/05/502709805.db2.gz OMMGEAABTDXCSN-RHSMWYFYSA-N 0 3 372.494 3.020 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2C(C)(C)C2(C)C)cc1 ZINC000481033391 502735751 /nfs/dbraw/zinc/73/57/51/502735751.db2.gz JRTHODKZTWGCDO-LBPRGKRZSA-N 0 3 363.483 3.176 20 30 FGEDHN C=CCNc1ncc(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)s1 ZINC000473925155 502752378 /nfs/dbraw/zinc/75/23/78/502752378.db2.gz SDBXZTKICRIOTE-AWEZNQCLSA-N 0 3 358.511 3.022 20 30 FGEDHN COC[C@@H]1CCCCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467122158 502792993 /nfs/dbraw/zinc/79/29/93/502792993.db2.gz KKFJATIRVCNTQF-LJQANCHMSA-N 0 3 357.498 3.299 20 30 FGEDHN CN(C)C1(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CCC1 ZINC000474092681 502806383 /nfs/dbraw/zinc/80/63/83/502806383.db2.gz AWGJMULRHGWNRM-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000485046758 502810014 /nfs/dbraw/zinc/81/00/14/502810014.db2.gz CLWWMRZABYIGLX-GOSISDBHSA-N 0 3 365.433 3.049 20 30 FGEDHN Cn1cc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1C#N ZINC000513016545 502831647 /nfs/dbraw/zinc/83/16/47/502831647.db2.gz KBQDZYJLSCCWPL-SFHVURJKSA-N 0 3 363.383 3.407 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888092 506337511 /nfs/dbraw/zinc/33/75/11/506337511.db2.gz PBEAUGKXFZRTKO-GOSISDBHSA-N 0 3 371.444 3.320 20 30 FGEDHN Cc1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000489004365 502858199 /nfs/dbraw/zinc/85/81/99/502858199.db2.gz CCUXOJAPKWLALE-QUCCMNQESA-N 0 3 355.388 3.207 20 30 FGEDHN COC(=O)C[C@](C)(NCCOc1cccc(C#N)c1)c1cccc(F)c1 ZINC000513134069 502860309 /nfs/dbraw/zinc/86/03/09/502860309.db2.gz SHUXMONLAYHMFJ-FQEVSTJZSA-N 0 3 356.397 3.144 20 30 FGEDHN CCCN(CCN1CCCCC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000513157669 502866856 /nfs/dbraw/zinc/86/68/56/502866856.db2.gz CRLYGQWVEQPJMZ-UHFFFAOYSA-N 0 3 356.514 3.131 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1-n1cccn1)C(C)C ZINC000495982742 502868152 /nfs/dbraw/zinc/86/81/52/502868152.db2.gz PYYDJABUDUYREC-HXUWFJFHSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCn1cccc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000489060817 502870421 /nfs/dbraw/zinc/87/04/21/502870421.db2.gz NBPHHRMDAYYQOH-UHFFFAOYSA-N 0 3 366.509 3.006 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000496184744 502877454 /nfs/dbraw/zinc/87/74/54/502877454.db2.gz BXPAQOJQLTZPMH-UHFFFAOYSA-N 0 3 372.513 3.290 20 30 FGEDHN N#Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c[nH]1 ZINC000509362848 502884384 /nfs/dbraw/zinc/88/43/84/502884384.db2.gz BCDITZNVCOIHBP-FCHUYYIVSA-N 0 3 370.456 3.284 20 30 FGEDHN COC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n1C ZINC000496353726 502886121 /nfs/dbraw/zinc/88/61/21/502886121.db2.gz ATJYVYQVBORNMG-SNVBAGLBSA-N 0 3 372.331 3.047 20 30 FGEDHN N#CC(C(=O)c1cnc2c(F)ccc(F)c2c1)c1nnc2n1CCCCC2 ZINC000496721705 502900789 /nfs/dbraw/zinc/90/07/89/502900789.db2.gz HJJHGAIVUFJYIT-CYBMUJFWSA-N 0 3 367.359 3.321 20 30 FGEDHN C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H](c1ccccc1)N(C)C ZINC000505593055 502943646 /nfs/dbraw/zinc/94/36/46/502943646.db2.gz WRFRUSTYYAMQBC-IIBYNOLFSA-N 0 3 373.460 3.165 20 30 FGEDHN C=CCCCS(=O)(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000489573594 502989400 /nfs/dbraw/zinc/98/94/00/502989400.db2.gz QCESVEMAUHRQHH-FQEVSTJZSA-N 0 3 362.539 3.271 20 30 FGEDHN C/C=C\c1ccc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000497584738 502993916 /nfs/dbraw/zinc/99/39/16/502993916.db2.gz IOIFYGCCKJLNQZ-FBQMEGEOSA-N 0 3 366.461 3.472 20 30 FGEDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621230 503002478 /nfs/dbraw/zinc/00/24/78/503002478.db2.gz UDPAQJQKRSAISQ-HNAYVOBHSA-N 0 3 369.421 3.289 20 30 FGEDHN CCOc1ccc(CCC2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000501428983 503009161 /nfs/dbraw/zinc/00/91/61/503009161.db2.gz WGAOVQWMBQPLEY-SFHVURJKSA-N 0 3 371.525 3.490 20 30 FGEDHN C[C@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCCC[C@@H]1C ZINC000501522670 503028965 /nfs/dbraw/zinc/02/89/65/503028965.db2.gz QODJNWQQVFCFJI-DLBZAZTESA-N 0 3 374.554 3.354 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000506021668 503030504 /nfs/dbraw/zinc/03/05/04/503030504.db2.gz LJEMAQBXESLNTF-FQEVSTJZSA-N 0 3 351.425 3.193 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602912106 506348397 /nfs/dbraw/zinc/34/83/97/506348397.db2.gz KFZZDXCBHKQLJJ-UHFFFAOYSA-N 0 3 365.462 3.095 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000497818392 503047782 /nfs/dbraw/zinc/04/77/82/503047782.db2.gz USIHKXLEWYITCS-LAUBAEHRSA-N 0 3 362.477 3.268 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CNC1(c2cccc(OC)c2)CC1 ZINC000510144451 503058304 /nfs/dbraw/zinc/05/83/04/503058304.db2.gz PKAPCMSQFMTASX-LJQANCHMSA-N 0 3 353.462 3.442 20 30 FGEDHN C=CCn1cccc1C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000489946232 503072821 /nfs/dbraw/zinc/07/28/21/503072821.db2.gz CPZRSYTXBSCQGY-IBGZPJMESA-N 0 3 353.466 3.250 20 30 FGEDHN N#Cc1ccc(Oc2cccc(C(=O)NCCNc3ccncc3)c2)cc1 ZINC000490095822 503108572 /nfs/dbraw/zinc/10/85/72/503108572.db2.gz ZQJTZCMWBHAOCM-UHFFFAOYSA-N 0 3 358.401 3.009 20 30 FGEDHN CN1CCN(CCCNc2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000506808943 503176650 /nfs/dbraw/zinc/17/66/50/503176650.db2.gz PICPPLUGXVRYNE-NRFANRHFSA-N 0 3 352.457 3.488 20 30 FGEDHN C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC000498410111 503181168 /nfs/dbraw/zinc/18/11/68/503181168.db2.gz QBHLBDMWQQJDSM-KUHUBIRLSA-N 0 3 354.429 3.188 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2CCCC[C@H]2OC(F)F)c(C#N)c1C ZINC000502507981 503213869 /nfs/dbraw/zinc/21/38/69/503213869.db2.gz IBEFXCGRSACFEV-CHWSQXEVSA-N 0 3 357.426 3.315 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H](C)c2cccc(C#N)c2)s1 ZINC000507211516 503251218 /nfs/dbraw/zinc/25/12/18/503251218.db2.gz MRWLMUOSAFBXRF-JHJVBQTASA-N 0 3 357.483 3.286 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593057799 506365342 /nfs/dbraw/zinc/36/53/42/506365342.db2.gz BQPDUFPTCRMMIQ-QWHCGFSZSA-N 0 3 371.359 3.450 20 30 FGEDHN C=CCN1CC[C@@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1=O ZINC000511621213 503356057 /nfs/dbraw/zinc/35/60/57/503356057.db2.gz BRWGUOHGXJMXRO-HZPDHXFCSA-N 0 3 354.372 3.413 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511874592 503405288 /nfs/dbraw/zinc/40/52/88/503405288.db2.gz NBXJBLBHEVGMCE-HXUWFJFHSA-N 0 3 362.521 3.369 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000493261493 503416715 /nfs/dbraw/zinc/41/67/15/503416715.db2.gz UCDFGKDQRMBQOP-HSALFYBXSA-N 0 3 360.498 3.176 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 ZINC000508085005 503427646 /nfs/dbraw/zinc/42/76/46/503427646.db2.gz XCBNHOZFDDKPPB-QGZVFWFLSA-N 0 3 352.434 3.155 20 30 FGEDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000503524088 503428261 /nfs/dbraw/zinc/42/82/61/503428261.db2.gz UKYHVAWJLGNJJO-DAXOMENPSA-N 0 3 369.387 3.211 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000493504747 503429871 /nfs/dbraw/zinc/42/98/71/503429871.db2.gz TYWYHMYQEXEUQH-BJZITVGISA-N 0 3 361.511 3.018 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@@H]2OCc2ccccc2)CCCCC1 ZINC000503530768 503430989 /nfs/dbraw/zinc/43/09/89/503430989.db2.gz MJUGUFVZLOEADA-MOPGFXCFSA-N 0 3 355.482 3.057 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@]2(C)CO)ccc1Cl ZINC000493553475 503433210 /nfs/dbraw/zinc/43/32/10/503433210.db2.gz VTCDSKYEVKFMMZ-IEBWSBKVSA-N 0 3 363.889 3.036 20 30 FGEDHN C=CCN1CC[C@H](N(C)[C@@H](CC)Cc2ccccc2Br)C1=O ZINC000499637516 503447741 /nfs/dbraw/zinc/44/77/41/503447741.db2.gz QASCFQMLPHTZCM-RDJZCZTQSA-N 0 3 365.315 3.489 20 30 FGEDHN C=CCN1CC[C@H](N(C)[C@H](CC)Cc2ccccc2Br)C1=O ZINC000499637517 503448130 /nfs/dbraw/zinc/44/81/30/503448130.db2.gz QASCFQMLPHTZCM-WBVHZDCISA-N 0 3 365.315 3.489 20 30 FGEDHN CSc1cc(C)ccc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000516175072 503462384 /nfs/dbraw/zinc/46/23/84/503462384.db2.gz CKIAJSIWLRJQLB-GOSISDBHSA-N 0 3 356.491 3.313 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@]2(C)CCCO)c1 ZINC000512450847 503555139 /nfs/dbraw/zinc/55/51/39/503555139.db2.gz VVWJBLNKYPBYGM-OAQYLSRUSA-N 0 3 357.498 3.177 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN(CCO)[C@H]1CCc2ccccc21 ZINC000494545788 503562187 /nfs/dbraw/zinc/56/21/87/503562187.db2.gz XMHNYBDAYZKRQZ-UNMCSNQZSA-N 0 3 367.489 3.137 20 30 FGEDHN C=C(CNC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccccc1 ZINC000611976188 506379233 /nfs/dbraw/zinc/37/92/33/506379233.db2.gz BGCDWQSXILFKNQ-UHFFFAOYSA-N 0 3 359.466 3.341 20 30 FGEDHN C[C@@H](NC(=O)NCC#Cc1cccc(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000504410110 503570173 /nfs/dbraw/zinc/57/01/73/503570173.db2.gz CIBIJCSEOFWLGZ-UZLBHIALSA-N 0 3 353.441 3.168 20 30 FGEDHN C[C@H](NC(=O)NCC#Cc1cccc(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000504410107 503570239 /nfs/dbraw/zinc/57/02/39/503570239.db2.gz CIBIJCSEOFWLGZ-JXFKEZNVSA-N 0 3 353.441 3.168 20 30 FGEDHN N#C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(Br)cc1 ZINC000494616740 503574612 /nfs/dbraw/zinc/57/46/12/503574612.db2.gz ZFWOTWBCAPWUAE-INIZCTEOSA-N 0 3 362.271 3.004 20 30 FGEDHN C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc(C#N)cc1F ZINC000512641386 503601332 /nfs/dbraw/zinc/60/13/32/503601332.db2.gz GQUWYPQABWFUMH-SNVBAGLBSA-N 0 3 353.323 3.269 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000512662064 503606385 /nfs/dbraw/zinc/60/63/85/503606385.db2.gz WJQULODBBYSYIF-UHFFFAOYSA-N 0 3 362.477 3.041 20 30 FGEDHN N#Cc1cc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)ccc1F ZINC000512697939 503615666 /nfs/dbraw/zinc/61/56/66/503615666.db2.gz XEQWXAFBJZFQEX-UHFFFAOYSA-N 0 3 367.424 3.102 20 30 FGEDHN C=CCOc1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000536645253 503656575 /nfs/dbraw/zinc/65/65/75/503656575.db2.gz CJNDOADTXPMNHZ-UHFFFAOYSA-N 0 3 356.388 3.142 20 30 FGEDHN CCOC(=O)CC(C)(C)CCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000517193923 503666811 /nfs/dbraw/zinc/66/68/11/503666811.db2.gz ZTVDRKIXRRUUMS-LJQANCHMSA-N 0 3 357.498 3.238 20 30 FGEDHN CC(C)N1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000532955451 503673859 /nfs/dbraw/zinc/67/38/59/503673859.db2.gz CICBMETVWYLULM-QGZVFWFLSA-N 0 3 374.554 3.435 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)n1cnc2ccccc21)C(C)C ZINC000533043377 503710859 /nfs/dbraw/zinc/71/08/59/503710859.db2.gz TVIZTANUXIFDQL-FXAWDEMLSA-N 0 3 354.498 3.412 20 30 FGEDHN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000543508226 503798009 /nfs/dbraw/zinc/79/80/09/503798009.db2.gz PORJJWPKPDBHPD-KGLIPLIRSA-N 0 3 361.511 3.232 20 30 FGEDHN N#Cc1ccc(Oc2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2)nc1 ZINC000517663402 503800663 /nfs/dbraw/zinc/80/06/63/503800663.db2.gz BONQIZUVPCTZNM-UHFFFAOYSA-N 0 3 362.433 3.102 20 30 FGEDHN C[C@H](NCc1ccc(C#N)cc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000533308873 503802410 /nfs/dbraw/zinc/80/24/10/503802410.db2.gz GXCOZCHPOUIQMQ-HNNXBMFYSA-N 0 3 370.447 3.439 20 30 FGEDHN C[C@@H]1C[C@@H](Nc2c(C#N)cnc3ccc(OC(F)F)cc32)CN1C1CC1 ZINC000517751253 503825439 /nfs/dbraw/zinc/82/54/39/503825439.db2.gz PBXRJMJBGFZPJS-DGCLKSJQSA-N 0 3 358.392 3.167 20 30 FGEDHN C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000540707031 503862876 /nfs/dbraw/zinc/86/28/76/503862876.db2.gz MFFPYMFKROUISO-KKSFZXQISA-N 0 3 353.441 3.421 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCn2ccc3ccccc32)CC1 ZINC000517997743 503884448 /nfs/dbraw/zinc/88/44/48/503884448.db2.gz OINIFMYQCVZWKJ-UHFFFAOYSA-N 0 3 354.498 3.371 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 ZINC000518004866 503887377 /nfs/dbraw/zinc/88/73/77/503887377.db2.gz BZJOZIRCCXALCR-UHFFFAOYSA-N 0 3 357.433 3.173 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2C2CCOCC2)c1 ZINC000540827503 503906490 /nfs/dbraw/zinc/90/64/90/503906490.db2.gz YAHYVNBMJQDTRL-OAQYLSRUSA-N 0 3 369.509 3.441 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000527731875 503919295 /nfs/dbraw/zinc/91/92/95/503919295.db2.gz YCLKGQSVCVROHH-HNNXBMFYSA-N 0 3 361.486 3.105 20 30 FGEDHN CCOc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1[O-] ZINC000527809942 503955043 /nfs/dbraw/zinc/95/50/43/503955043.db2.gz IOZBWFRPSLYSLV-UHFFFAOYSA-N 0 3 352.434 3.458 20 30 FGEDHN C[C@H](O)CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000537613019 503973386 /nfs/dbraw/zinc/97/33/86/503973386.db2.gz ZIGAKGOLDIURGE-KRWDZBQOSA-N 0 3 360.461 3.342 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3cccc(F)c3)c2CCC)CC1 ZINC000544224642 504053060 /nfs/dbraw/zinc/05/30/60/504053060.db2.gz JVCPQQQWLGPOGY-UHFFFAOYSA-N 0 3 370.472 3.344 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000518939469 504099363 /nfs/dbraw/zinc/09/93/63/504099363.db2.gz XPAWWLAYMMVRQL-QZTJIDSGSA-N 0 3 357.498 3.486 20 30 FGEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000530856239 504108677 /nfs/dbraw/zinc/10/86/77/504108677.db2.gz LMRLRNYTGYQJCO-OXJNMPFZSA-N 0 3 351.450 3.098 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ncc(CC)o1 ZINC000530932076 504134359 /nfs/dbraw/zinc/13/43/59/504134359.db2.gz AEFBAGUPTRPGPS-UHFFFAOYSA-N 0 3 361.515 3.335 20 30 FGEDHN CC(C)(C)c1ccc(C(C)(C)NCC(=O)N(CCC#N)CCC#N)cc1 ZINC000538206394 504161534 /nfs/dbraw/zinc/16/15/34/504161534.db2.gz NGJNWOXKPMOROS-UHFFFAOYSA-N 0 3 354.498 3.465 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000538231064 504170140 /nfs/dbraw/zinc/17/01/40/504170140.db2.gz WFFFVCFSQPSFRX-GOSISDBHSA-N 0 3 367.445 3.162 20 30 FGEDHN CC[C@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)N(CC)CC ZINC000531057618 504175191 /nfs/dbraw/zinc/17/51/91/504175191.db2.gz WYPPBJCPQWTCLS-CTWPCTMYSA-N 0 3 357.498 3.485 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3nc(C)no3)ccc2C)CC1 ZINC000519343173 504198083 /nfs/dbraw/zinc/19/80/83/504198083.db2.gz YJTVGCBTGIVARG-UHFFFAOYSA-N 0 3 355.442 3.125 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000534677937 504212534 /nfs/dbraw/zinc/21/25/34/504212534.db2.gz AWYGIWOLMTUUGM-UHFFFAOYSA-N 0 3 374.282 3.378 20 30 FGEDHN Cc1nn(CC(F)F)c(C)c1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000544872071 504286362 /nfs/dbraw/zinc/28/63/62/504286362.db2.gz PUTPDSDYGANUBS-LBPRGKRZSA-N 0 3 357.364 3.142 20 30 FGEDHN CC[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CCN1Cc1ccccc1 ZINC000544928299 504302595 /nfs/dbraw/zinc/30/25/95/504302595.db2.gz XAHTXAPOFYRTNL-FQEVSTJZSA-N 0 3 359.477 3.302 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000531442987 504308935 /nfs/dbraw/zinc/30/89/35/504308935.db2.gz VUBOOTNLGVBDRB-VAMGGRTRSA-N 0 3 354.498 3.342 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000531450707 504311465 /nfs/dbraw/zinc/31/14/65/504311465.db2.gz CPYGLJXAGYKBHV-OAFZBRQQSA-N 0 3 355.482 3.260 20 30 FGEDHN N#CC1(CCCN2CCN(c3cccc4[nH]ccc43)CC2)CCOCC1 ZINC000528761014 504367029 /nfs/dbraw/zinc/36/70/29/504367029.db2.gz BJYQPCGKXCETSB-UHFFFAOYSA-N 0 3 352.482 3.390 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC000528761319 504368666 /nfs/dbraw/zinc/36/86/66/504368666.db2.gz JKJCQIYPPFFWMC-UHFFFAOYSA-N 0 3 373.460 3.190 20 30 FGEDHN Cc1cc(F)ccc1[C@H](O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778925 504376517 /nfs/dbraw/zinc/37/65/17/504376517.db2.gz PIRBASCCOGOECU-HXUWFJFHSA-N 0 3 354.425 3.335 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn(C2CC2)c1 ZINC000528918402 504450139 /nfs/dbraw/zinc/45/01/39/504450139.db2.gz JOXAFYRWLXPWCG-LBPRGKRZSA-N 0 3 363.204 3.486 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](CC)c1c(C)nn(C)c1C ZINC000542521299 504523891 /nfs/dbraw/zinc/52/38/91/504523891.db2.gz BPTNAHITBICQIM-OALUTQOASA-N 0 3 357.498 3.246 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535758347 504534993 /nfs/dbraw/zinc/53/49/93/504534993.db2.gz KNSIGMYOOQOUPF-FQEVSTJZSA-N 0 3 352.482 3.231 20 30 FGEDHN C=C(C)[C@H](CC(=O)N(C)c1ccc(OCCN2CCCC2)cc1)OCC ZINC000535943693 504589159 /nfs/dbraw/zinc/58/91/59/504589159.db2.gz NFEGJQUGEDCECA-FQEVSTJZSA-N 0 3 360.498 3.495 20 30 FGEDHN C[C@@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1cccc(C#N)c1 ZINC000539497930 504590064 /nfs/dbraw/zinc/59/00/64/504590064.db2.gz AAYSVGFMNOTMOB-APWZRJJASA-N 0 3 354.523 3.259 20 30 FGEDHN C=CCN1CCC(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000535957387 504592327 /nfs/dbraw/zinc/59/23/27/504592327.db2.gz BHJSHZBEUWAKNZ-UHFFFAOYSA-N 0 3 366.296 3.314 20 30 FGEDHN CN(C)[C@H](CNCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000539531134 504599704 /nfs/dbraw/zinc/59/97/04/504599704.db2.gz SAUYNYQOTMRFDE-GOSISDBHSA-N 0 3 353.857 3.252 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000546002603 504670666 /nfs/dbraw/zinc/67/06/66/504670666.db2.gz MDNPKFBZKAMISS-HNAYVOBHSA-N 0 3 364.449 3.209 20 30 FGEDHN CCC(CC)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000532528438 504683281 /nfs/dbraw/zinc/68/32/81/504683281.db2.gz UAAXVPQTRBZOBC-UHFFFAOYSA-N 0 3 351.454 3.335 20 30 FGEDHN Cn1cc([C@H]2CN(Cc3ccc(C#N)cc3Cl)CC23CCOCC3)cn1 ZINC000556289737 504837563 /nfs/dbraw/zinc/83/75/63/504837563.db2.gz BBCNOUFDBMGJFX-GOSISDBHSA-N 0 3 370.884 3.341 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1C[C@H](C)O)C(C)C ZINC000562622406 504883332 /nfs/dbraw/zinc/88/33/32/504883332.db2.gz MUMSCNAQPMEDEQ-GBESFXJTSA-N 0 3 351.535 3.020 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000565634709 504943210 /nfs/dbraw/zinc/94/32/10/504943210.db2.gz MFBKBUSEPCAFRP-GQOXECLESA-N 0 3 354.498 3.210 20 30 FGEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000565806326 504992476 /nfs/dbraw/zinc/99/24/76/504992476.db2.gz GPOINRSUMDOFAA-DOTOQJQBSA-N 0 3 356.388 3.233 20 30 FGEDHN Cc1cccc(C)c1OC[C@@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000562986790 505011352 /nfs/dbraw/zinc/01/13/52/505011352.db2.gz RQXBOCUFHAGIRP-UYAOXDASSA-N 0 3 368.477 3.166 20 30 FGEDHN N#Cc1ccc2ncc(CNC3(c4cccc(F)c4)CCOCC3)n2c1 ZINC000560258484 505031756 /nfs/dbraw/zinc/03/17/56/505031756.db2.gz ZTHRSVLAWCFRSM-UHFFFAOYSA-N 0 3 350.397 3.141 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(C#N)n1 ZINC000563098629 505047616 /nfs/dbraw/zinc/04/76/16/505047616.db2.gz KWFMVVIFUXRAJR-SFHVURJKSA-N 0 3 351.454 3.231 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000553957829 505053048 /nfs/dbraw/zinc/05/30/48/505053048.db2.gz RCDUPAHICANLON-KRWDZBQOSA-N 0 3 360.841 3.312 20 30 FGEDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000566054744 505067217 /nfs/dbraw/zinc/06/72/17/505067217.db2.gz SVJUAPVVKXQRFQ-MAZHCROVSA-N 0 3 361.511 3.373 20 30 FGEDHN O=C(NCC#Cc1ccccc1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000563298527 505100473 /nfs/dbraw/zinc/10/04/73/505100473.db2.gz OKCCOASLXOPUKL-XZOQPEGZSA-N 0 3 373.500 3.202 20 30 FGEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000554209853 505116158 /nfs/dbraw/zinc/11/61/58/505116158.db2.gz LGVJFPUJONMUTD-FQEVSTJZSA-N 0 3 369.896 3.327 20 30 FGEDHN N#Cc1cscc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000550992235 505138828 /nfs/dbraw/zinc/13/88/28/505138828.db2.gz FWQBJKUAGGAZAX-UHFFFAOYSA-N 0 3 355.463 3.024 20 30 FGEDHN CN(C)C(=O)C[C@@H](NCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000557480013 505145848 /nfs/dbraw/zinc/14/58/48/505145848.db2.gz TVHYNQAUUZINCY-HXUWFJFHSA-N 0 3 351.450 3.136 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551263204 505188515 /nfs/dbraw/zinc/18/85/15/505188515.db2.gz JGDWUORJCLKGAV-MGPUTAFESA-N 0 3 351.425 3.338 20 30 FGEDHN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)C(C)C#N)C1 ZINC000557676771 505200081 /nfs/dbraw/zinc/20/00/81/505200081.db2.gz MFVDKBAFPDKVJO-UKRRQHHQSA-N 0 3 364.287 3.311 20 30 FGEDHN COc1ccc(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)cc1C#N ZINC000563842463 505254832 /nfs/dbraw/zinc/25/48/32/505254832.db2.gz OBKSMJZBJVKPDK-VGSWGCGISA-N 0 3 366.461 3.109 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc2c1CCNC2 ZINC000566903123 505306696 /nfs/dbraw/zinc/30/66/96/505306696.db2.gz JBZBFWDNHRBBPD-UHFFFAOYSA-N 0 3 355.438 3.028 20 30 FGEDHN N#Cc1ccc(CNCc2ccc(-n3cncn3)cc2)c(C(F)(F)F)c1 ZINC000554972461 505316835 /nfs/dbraw/zinc/31/68/35/505316835.db2.gz ZNVAGPMKJBEPOI-UHFFFAOYSA-N 0 3 357.339 3.448 20 30 FGEDHN COc1ccc(C[C@](C)(O)CN[C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000555002545 505325303 /nfs/dbraw/zinc/32/53/03/505325303.db2.gz IFPNGJCDFYVWKS-QKKBWIMNSA-N 0 3 372.440 3.359 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000564113875 505329203 /nfs/dbraw/zinc/32/92/03/505329203.db2.gz WMHZHALPEQSOAF-XMSQKQJNSA-N 0 3 371.525 3.018 20 30 FGEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000567007702 505337355 /nfs/dbraw/zinc/33/73/55/505337355.db2.gz WBDLAZMWGOVCQE-HNNXBMFYSA-N 0 3 373.334 3.483 20 30 FGEDHN COC(=O)c1ccc(NC[C@H](c2cccs2)N2CCCC2)c(C#N)n1 ZINC000558311756 505358861 /nfs/dbraw/zinc/35/88/61/505358861.db2.gz WQJZWSVLWJHHFQ-MRXNPFEDSA-N 0 3 356.451 3.050 20 30 FGEDHN CN(C)CCN(Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000564315084 505381133 /nfs/dbraw/zinc/38/11/33/505381133.db2.gz OFFCJAALICIERL-UHFFFAOYSA-N 0 3 359.477 3.308 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555230407 505385198 /nfs/dbraw/zinc/38/51/98/505385198.db2.gz AFSGSLOZSRVDHI-AUUYWEPGSA-N 0 3 371.868 3.398 20 30 FGEDHN N#Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1F ZINC000558502424 505410694 /nfs/dbraw/zinc/41/06/94/505410694.db2.gz VEAIEMYGJZZPQN-UHFFFAOYSA-N 0 3 352.413 3.267 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000552226904 505434739 /nfs/dbraw/zinc/43/47/39/505434739.db2.gz SSOKUZYVQGJMLF-MGPUTAFESA-N 0 3 356.853 3.423 20 30 FGEDHN Cc1ccc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000558604657 505436893 /nfs/dbraw/zinc/43/68/93/505436893.db2.gz VCRCUJQNBZIKIJ-UHFFFAOYSA-N 0 3 355.507 3.451 20 30 FGEDHN CN(CCCN(C)C(=O)[C@@H](C#N)CCc1ccccc1)Cc1ccncc1 ZINC000567396158 505449766 /nfs/dbraw/zinc/44/97/66/505449766.db2.gz UTLFGNSOFZSJHO-OAQYLSRUSA-N 0 3 364.493 3.134 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000567470571 505473830 /nfs/dbraw/zinc/47/38/30/505473830.db2.gz GPHJPMGJHWXIOC-HNNXBMFYSA-N 0 3 360.531 3.063 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000558750854 505483034 /nfs/dbraw/zinc/48/30/34/505483034.db2.gz UIHQZHVPVMZNTF-HNNXBMFYSA-N 0 3 368.330 3.246 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000555686654 505491835 /nfs/dbraw/zinc/49/18/35/505491835.db2.gz XYTPLANTLZNNSC-XLIONFOSSA-N 0 3 372.852 3.105 20 30 FGEDHN Cc1ccc(OCCCCNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000564722762 505503229 /nfs/dbraw/zinc/50/32/29/505503229.db2.gz PFHNDCBQKMXFTM-UHFFFAOYSA-N 0 3 372.490 3.089 20 30 FGEDHN N#CC(CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000567602718 505511585 /nfs/dbraw/zinc/51/15/85/505511585.db2.gz NWBCISFROHBFNU-BWAGFHJFSA-N 0 3 373.500 3.472 20 30 FGEDHN N#Cc1ccc(OCCN(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000558860682 505513561 /nfs/dbraw/zinc/51/35/61/505513561.db2.gz YJEOYGBBRSYWBO-UHFFFAOYSA-N 0 3 359.433 3.182 20 30 FGEDHN CC(=O)N1CCN(c2ccccc2CN[C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000562095978 505518126 /nfs/dbraw/zinc/51/81/26/505518126.db2.gz NVHIMIGQEVBLSI-JOCHJYFZSA-N 0 3 374.488 3.004 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)CC2 ZINC000562102966 505519013 /nfs/dbraw/zinc/51/90/13/505519013.db2.gz JXWYADZTWZIZFL-WBVHZDCISA-N 0 3 365.399 3.469 20 30 FGEDHN N#CCCC1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000564915078 505557260 /nfs/dbraw/zinc/55/72/60/505557260.db2.gz APLNZNBEZSPTQV-MRXNPFEDSA-N 0 3 367.287 3.205 20 30 FGEDHN CCOc1ccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599253281 506386675 /nfs/dbraw/zinc/38/66/75/506386675.db2.gz GVBUGBUWNRHUNN-UYAOXDASSA-N 0 3 358.482 3.294 20 30 FGEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCC(=O)N(C)C1 ZINC000582763602 506405730 /nfs/dbraw/zinc/40/57/30/506405730.db2.gz MDLCNCAIBILUFI-NRFANRHFSA-N 0 3 361.489 3.439 20 30 FGEDHN N#Cc1cc(F)cc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000603066466 506405701 /nfs/dbraw/zinc/40/57/01/506405701.db2.gz PIGVLICQJBFKOT-UHFFFAOYSA-N 0 3 367.428 3.126 20 30 FGEDHN Cc1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1C#N ZINC000599320298 506411246 /nfs/dbraw/zinc/41/12/46/506411246.db2.gz PTIVGCNGWWWZPP-UHFFFAOYSA-N 0 3 367.518 3.499 20 30 FGEDHN COC(=O)[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C1CC1 ZINC000593131378 506412382 /nfs/dbraw/zinc/41/23/82/506412382.db2.gz LPZNRMLSIHLBAB-DLBZAZTESA-N 0 3 351.368 3.188 20 30 FGEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)COc1ccccc1C#N ZINC000599348390 506423004 /nfs/dbraw/zinc/42/30/04/506423004.db2.gz KAPQWXPBBJEFKY-WMZOPIPTSA-N 0 3 354.450 3.436 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc2ncsc2c1 ZINC000599380130 506435024 /nfs/dbraw/zinc/43/50/24/506435024.db2.gz BSMURDRRDGZYPF-CZUORRHYSA-N 0 3 353.447 3.258 20 30 FGEDHN N#CCCC[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000599426941 506453150 /nfs/dbraw/zinc/45/31/50/506453150.db2.gz WYCSJLAYGHKYIX-NRFANRHFSA-N 0 3 371.440 3.311 20 30 FGEDHN Cc1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1C#N ZINC000599450215 506461036 /nfs/dbraw/zinc/46/10/36/506461036.db2.gz AYTUVVWLZIILRN-PKTZIBPZSA-N 0 3 361.489 3.342 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000596600837 506482678 /nfs/dbraw/zinc/48/26/78/506482678.db2.gz KSPKYYZGTRTYEN-FXAWDEMLSA-N 0 3 372.513 3.412 20 30 FGEDHN COCCCN(C)CCNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000608273268 506485184 /nfs/dbraw/zinc/48/51/84/506485184.db2.gz SSGUILOZVPTSHF-UHFFFAOYSA-N 0 3 371.506 3.238 20 30 FGEDHN CN(CCCCN1CCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000603417654 506507780 /nfs/dbraw/zinc/50/77/80/506507780.db2.gz NZVGBWKMDVWZJY-UHFFFAOYSA-N 0 3 369.918 3.098 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590852 506517732 /nfs/dbraw/zinc/51/77/32/506517732.db2.gz RPYFXVHGDGJZMB-MAUKXSAKSA-N 0 3 371.481 3.187 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000596678300 506527905 /nfs/dbraw/zinc/52/79/05/506527905.db2.gz NIHNIUZGZFXSIT-QGZVFWFLSA-N 0 3 365.437 3.351 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000612420980 506573783 /nfs/dbraw/zinc/57/37/83/506573783.db2.gz AHFLWKHFJKJRNL-NHCUHLMSSA-N 0 3 360.461 3.111 20 30 FGEDHN N#CCc1cccc2c1CCN(CCC(=O)N1CCc3sccc3C1)C2 ZINC000599678317 506575321 /nfs/dbraw/zinc/57/53/21/506575321.db2.gz HPWWYDVCTGLYKI-UHFFFAOYSA-N 0 3 365.502 3.147 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)CCCN1CCN(c3ccccc3)CC1)C2 ZINC000593363780 506575869 /nfs/dbraw/zinc/57/58/69/506575869.db2.gz CWSWDYHIOKHJMF-UHFFFAOYSA-N 0 3 374.488 3.003 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)NCC2(C#N)CCCC2)N(C)C)cc1 ZINC000593406802 506604479 /nfs/dbraw/zinc/60/44/79/506604479.db2.gz GKXBACCITSKCBD-KRWDZBQOSA-N 0 3 360.527 3.394 20 30 FGEDHN CN(C(=O)NCC1(C#N)CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000593430716 506614854 /nfs/dbraw/zinc/61/48/54/506614854.db2.gz RIALNAYXNKXGGI-LJQANCHMSA-N 0 3 354.498 3.376 20 30 FGEDHN CSc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)o1 ZINC000596829597 506622994 /nfs/dbraw/zinc/62/29/94/506622994.db2.gz UGMOMCUYFFMMMY-UHFFFAOYSA-N 0 3 357.479 3.386 20 30 FGEDHN N#Cc1nc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC000593496630 506653108 /nfs/dbraw/zinc/65/31/08/506653108.db2.gz UQEBQXPMCXLSGV-RBUKOAKNSA-N 0 3 368.868 3.086 20 30 FGEDHN COc1cc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)c(F)cc1C#N ZINC000599818517 506655103 /nfs/dbraw/zinc/65/51/03/506655103.db2.gz ZPNRTYKUIKTYBL-UHFFFAOYSA-N 0 3 374.460 3.434 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)OC)c3ccccc23)CC1 ZINC000599917078 506711590 /nfs/dbraw/zinc/71/15/90/506711590.db2.gz UKRODYICVOAHBX-UHFFFAOYSA-N 0 3 367.449 3.398 20 30 FGEDHN COc1ccccc1[C@@H]1CCCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609046730 506767423 /nfs/dbraw/zinc/76/74/23/506767423.db2.gz VJKKUBIKJPTEFQ-NQIIRXRSSA-N 0 3 366.461 3.338 20 30 FGEDHN Cc1nc2c(s1)[C@@H](N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000583459407 506789388 /nfs/dbraw/zinc/78/93/88/506789388.db2.gz LGXOYNPTVZSRGB-ROUUACIJSA-N 0 3 366.490 3.486 20 30 FGEDHN CN1C[C@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000590447059 506826524 /nfs/dbraw/zinc/82/65/24/506826524.db2.gz YANFYQWKSSAUTO-IEBWSBKVSA-N 0 3 363.486 3.486 20 30 FGEDHN COCCN1CCC[C@@H](Nc2cc(C)c(C#N)c3nc4ccccc4n32)C1 ZINC000609269380 506831176 /nfs/dbraw/zinc/83/11/76/506831176.db2.gz ZWXHIOIRWMTMOJ-MRXNPFEDSA-N 0 3 363.465 3.190 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000593960058 506851404 /nfs/dbraw/zinc/85/14/04/506851404.db2.gz KSWRZVZALHOUGO-SFHVURJKSA-N 0 3 361.489 3.301 20 30 FGEDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC1CCN(CC#N)CC1 ZINC000609334911 506856727 /nfs/dbraw/zinc/85/67/27/506856727.db2.gz KMYGJQDYLMDVHS-UHFFFAOYSA-N 0 3 357.889 3.220 20 30 FGEDHN COc1ccc(CNCCN2Cc3ccccc3C2)cc1OCCCC#N ZINC000604512402 506857190 /nfs/dbraw/zinc/85/71/90/506857190.db2.gz BKNZVPYVMUVSLT-UHFFFAOYSA-N 0 3 365.477 3.483 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594066218 506917631 /nfs/dbraw/zinc/91/76/31/506917631.db2.gz JLCXXNYMQUHRQU-DZGCQCFKSA-N 0 3 364.396 3.298 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000597371696 506918197 /nfs/dbraw/zinc/91/81/97/506918197.db2.gz JUJMQDGLTMECPK-XJKSGUPXSA-N 0 3 355.388 3.229 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000609566764 506923294 /nfs/dbraw/zinc/92/32/94/506923294.db2.gz LMGUXYPWCNQSHY-QGZVFWFLSA-N 0 3 363.461 3.453 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(C#N)cc3C)CC2)c1 ZINC000590747387 506935882 /nfs/dbraw/zinc/93/58/82/506935882.db2.gz BGEUOACGTLCHOS-UHFFFAOYSA-N 0 3 352.438 3.077 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597516275 506987577 /nfs/dbraw/zinc/98/75/77/506987577.db2.gz FVESPKMGSGCKIP-ORAYPTAESA-N 0 3 355.388 3.087 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)CC2 ZINC000583901398 507038179 /nfs/dbraw/zinc/03/81/79/507038179.db2.gz BRHYJUFALQVUCB-FCHUYYIVSA-N 0 3 365.452 3.348 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594264948 507050525 /nfs/dbraw/zinc/05/05/25/507050525.db2.gz GZNBQHXKYGXWMB-MRXNPFEDSA-N 0 3 365.481 3.229 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594283398 507062207 /nfs/dbraw/zinc/06/22/07/507062207.db2.gz HVANVPMVYMOGFD-PMACEKPBSA-N 0 3 354.498 3.495 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)cc1 ZINC000594284477 507063721 /nfs/dbraw/zinc/06/37/21/507063721.db2.gz YWAXACSYEHUKRY-SFTDATJTSA-N 0 3 364.493 3.374 20 30 FGEDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000613389656 507064958 /nfs/dbraw/zinc/06/49/58/507064958.db2.gz JKUUEZYNVNDBME-BIENJYKASA-N 0 3 371.868 3.293 20 30 FGEDHN C[C@H](CC#N)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000597753571 507084183 /nfs/dbraw/zinc/08/41/83/507084183.db2.gz SUQUZYPDJLPUIN-MRXNPFEDSA-N 0 3 374.916 3.003 20 30 FGEDHN C[C@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1ccc(Cl)cc1 ZINC000600726844 507085771 /nfs/dbraw/zinc/08/57/71/507085771.db2.gz HKEFAVLIZZNEJC-RHSMWYFYSA-N 0 3 360.841 3.008 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCCc3c(F)cc(F)cc32)CCOCC1 ZINC000600738559 507091870 /nfs/dbraw/zinc/09/18/70/507091870.db2.gz JNQUNYYNAGVFFE-KBXCAEBGSA-N 0 3 350.409 3.003 20 30 FGEDHN CSc1ccccc1OC[C@@H](O)CN(Cc1ccnc(C#N)c1)C(C)C ZINC000591048610 507092815 /nfs/dbraw/zinc/09/28/15/507092815.db2.gz NKSGCDHTLOPKCB-SFHVURJKSA-N 0 3 371.506 3.325 20 30 FGEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000610134111 507112443 /nfs/dbraw/zinc/11/24/43/507112443.db2.gz GHFCBNBURQKDAT-RBUKOAKNSA-N 0 3 357.498 3.090 20 30 FGEDHN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594429391 507127967 /nfs/dbraw/zinc/12/79/67/507127967.db2.gz SWERFUSNNBSEKL-SFHVURJKSA-N 0 3 370.497 3.217 20 30 FGEDHN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594431608 507129355 /nfs/dbraw/zinc/12/93/55/507129355.db2.gz OSHQNLZFMPMKAN-AEFFLSMTSA-N 0 3 370.497 3.359 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000594431872 507129631 /nfs/dbraw/zinc/12/96/31/507129631.db2.gz RMBYTPUVRCSYDK-HNNXBMFYSA-N 0 3 364.287 3.356 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000594435023 507130763 /nfs/dbraw/zinc/13/07/63/507130763.db2.gz YWQMOYREBNVLNZ-UXHICEINSA-N 0 3 351.450 3.334 20 30 FGEDHN COc1cccc(-c2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)c1 ZINC000594433315 507131148 /nfs/dbraw/zinc/13/11/48/507131148.db2.gz NNZPTGIEKGXVAQ-FQEVSTJZSA-N 0 3 351.450 3.390 20 30 FGEDHN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)[C@@H](N)CCCCC#N ZINC000594432231 507131838 /nfs/dbraw/zinc/13/18/38/507131838.db2.gz ZXRQSNHXCYAEJG-OCCSQVGLSA-N 0 3 357.376 3.000 20 30 FGEDHN C[C@H](c1ccccc1Br)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594443805 507135646 /nfs/dbraw/zinc/13/56/46/507135646.db2.gz VBVKTGXNVLEZJV-IUODEOHRSA-N 0 3 352.276 3.380 20 30 FGEDHN COc1ccc(-c2ccc(CNC(=O)[C@@H](N)CCCCC#N)s2)cc1 ZINC000594445117 507137749 /nfs/dbraw/zinc/13/77/49/507137749.db2.gz ACTIEEYKZWTCOP-KRWDZBQOSA-N 0 3 357.479 3.451 20 30 FGEDHN COC(=O)COc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594499910 507157211 /nfs/dbraw/zinc/15/72/11/507157211.db2.gz FDTXLEKNEOICGA-UHFFFAOYSA-N 0 3 352.434 3.329 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cccc4c3OC(F)(F)O4)CC2)nc1 ZINC000591256804 507172274 /nfs/dbraw/zinc/17/22/74/507172274.db2.gz IOBBVRKUGRKWJK-UHFFFAOYSA-N 0 3 372.375 3.033 20 30 FGEDHN C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000594551608 507181002 /nfs/dbraw/zinc/18/10/02/507181002.db2.gz MFMPBIOMFFBFSR-PWIZWCRZSA-N 0 3 372.488 3.067 20 30 FGEDHN N#Cc1sccc1N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000597936980 507185688 /nfs/dbraw/zinc/18/56/88/507185688.db2.gz DEHZXYCTXDTJTO-KRWDZBQOSA-N 0 3 364.474 3.041 20 30 FGEDHN CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H]1CCN(C)C1 ZINC000597947584 507193407 /nfs/dbraw/zinc/19/34/07/507193407.db2.gz ZJOMOVKPHLEKBM-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3cnccc3C#N)sc2c1)C1CC1 ZINC000598026904 507224658 /nfs/dbraw/zinc/22/46/58/507224658.db2.gz FAZWTDKOECLSEL-UHFFFAOYSA-N 0 3 363.446 3.409 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451274 507245293 /nfs/dbraw/zinc/24/52/93/507245293.db2.gz MBUMWJXITNBMJK-KNKQGSTJSA-N 0 3 370.541 3.026 20 30 FGEDHN CCC1(N2CCOCC2)CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601204463 507294824 /nfs/dbraw/zinc/29/48/24/507294824.db2.gz NKMJNBHBQFOMCH-UHFFFAOYSA-N 0 3 356.495 3.249 20 30 FGEDHN CN1CCC(n2cc(NC(=O)Nc3cc(C#N)cn3C(C)(C)C)cn2)CC1 ZINC000601237487 507306105 /nfs/dbraw/zinc/30/61/05/507306105.db2.gz GKDNRWSEGUESLA-UHFFFAOYSA-N 0 3 369.473 3.222 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000598195767 507307927 /nfs/dbraw/zinc/30/79/27/507307927.db2.gz RQIITADZKNFOFF-QGZVFWFLSA-N 0 3 369.415 3.225 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000591622963 507316852 /nfs/dbraw/zinc/31/68/52/507316852.db2.gz BSOLOPNLUGIOCB-LSDHHAIUSA-N 0 3 350.260 3.134 20 30 FGEDHN CO[C@H](CNCc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCOC1 ZINC000594952601 507329011 /nfs/dbraw/zinc/32/90/11/507329011.db2.gz PSTSVMUDLIWNRI-IFMALSPDSA-N 0 3 366.461 3.278 20 30 FGEDHN Cc1cc(C)n2c(CNC3(c4cccc(C#N)c4)CCOCC3)cnc2n1 ZINC000594983247 507341925 /nfs/dbraw/zinc/34/19/25/507341925.db2.gz JKMVQSRZDMXOJN-UHFFFAOYSA-N 0 3 361.449 3.013 20 30 FGEDHN N#Cc1cccc(C2(NCc3ccc(N4CCCC4)nc3)CCOCC2)c1 ZINC000594985108 507342051 /nfs/dbraw/zinc/34/20/51/507342051.db2.gz WSYBVLDYGCRUKJ-UHFFFAOYSA-N 0 3 362.477 3.349 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000591733911 507342893 /nfs/dbraw/zinc/34/28/93/507342893.db2.gz LBIPBRZLKLEUSH-WIYYLYMNSA-N 0 3 354.425 3.242 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000591762639 507352738 /nfs/dbraw/zinc/35/27/38/507352738.db2.gz OOATXUXKHAECKE-QUCCMNQESA-N 0 3 368.502 3.333 20 30 FGEDHN C[C@H](NC[C@@H]1CN(C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104666 507394733 /nfs/dbraw/zinc/39/47/33/507394733.db2.gz AXGCVLQNPDIHFI-LAUBAEHRSA-N 0 3 366.484 3.164 20 30 FGEDHN N#CCN1CCC(N[C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000610813006 507400126 /nfs/dbraw/zinc/40/01/26/507400126.db2.gz UVAGHZUBFUXISK-MRXNPFEDSA-N 0 3 364.287 3.240 20 30 FGEDHN N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](F)[C@H](N)C3)cc2)cc1 ZINC000595227769 507430838 /nfs/dbraw/zinc/43/08/38/507430838.db2.gz HUIBVELDVYRORQ-QZTJIDSGSA-N 0 3 354.385 3.254 20 30 FGEDHN C[C@@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1cccc(C#N)c1 ZINC000595236251 507435236 /nfs/dbraw/zinc/43/52/36/507435236.db2.gz XVVJZGMTCMBTSO-AUUYWEPGSA-N 0 3 350.422 3.102 20 30 FGEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)c2cc(Br)ccc21 ZINC000595257647 507442776 /nfs/dbraw/zinc/44/27/76/507442776.db2.gz NAKUGGBEUQMEHF-ZDUSSCGKSA-N 0 3 350.260 3.094 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCSCC3)CC2)cc1 ZINC000601739743 507445058 /nfs/dbraw/zinc/44/50/58/507445058.db2.gz LKVDAQNDUIYCNH-SFHVURJKSA-N 0 3 353.491 3.376 20 30 FGEDHN C[C@](CO)(Cc1ccc(F)cc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000601849988 507487375 /nfs/dbraw/zinc/48/73/75/507487375.db2.gz AXUDRAVJTIMWAW-GHTZIAJQSA-N 0 3 354.425 3.008 20 30 FGEDHN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000584790330 507505743 /nfs/dbraw/zinc/50/57/43/507505743.db2.gz MPQUIDYDICMPPQ-LJQANCHMSA-N 0 3 355.482 3.106 20 30 FGEDHN COc1cc(Br)ccc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598618141 507520021 /nfs/dbraw/zinc/52/00/21/507520021.db2.gz VCBKARIGSUWKFP-WCQYABFASA-N 0 3 355.276 3.409 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(CCc3ccc(C#N)cc3)CC2)c1C ZINC000595485948 507525469 /nfs/dbraw/zinc/52/54/69/507525469.db2.gz ZQQCUBLMWCDIJL-UHFFFAOYSA-N 0 3 366.465 3.120 20 30 FGEDHN CCCCN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCc2ncsc2C1 ZINC000592189461 507531372 /nfs/dbraw/zinc/53/13/72/507531372.db2.gz VKIDQLIYIPPFBD-INIZCTEOSA-N 0 3 374.554 3.445 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)C1 ZINC000595536728 507549055 /nfs/dbraw/zinc/54/90/55/507549055.db2.gz ULJLJMVDZDGSOR-IAGOWNOFSA-N 0 3 374.554 3.435 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CCC(F)CC2)cc1 ZINC000592256387 507565125 /nfs/dbraw/zinc/56/51/25/507565125.db2.gz YNSHDBRCHPILJT-IYXRBSQSSA-N 0 3 367.446 3.022 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CSc2ccc(Br)cc21 ZINC000598722941 507567837 /nfs/dbraw/zinc/56/78/37/507567837.db2.gz BWUMDZNGSPHVAR-YPMHNXCESA-N 0 3 355.301 3.486 20 30 FGEDHN C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000595603068 507584821 /nfs/dbraw/zinc/58/48/21/507584821.db2.gz XIBQYXOZSKKLHG-WIYYLYMNSA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@@H]1CN(C)[C@@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611259418 507588053 /nfs/dbraw/zinc/58/80/53/507588053.db2.gz XSNOPJKVQFAWDH-LSDHHAIUSA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000585726126 507606267 /nfs/dbraw/zinc/60/62/67/507606267.db2.gz VUFGQDDPCMIMCH-STQMWFEESA-N 0 3 360.255 3.222 20 30 FGEDHN CCN1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000611357174 507641820 /nfs/dbraw/zinc/64/18/20/507641820.db2.gz HXQUDRRDHLFYJP-UHFFFAOYSA-N 0 3 365.437 3.305 20 30 FGEDHN COC1(CCN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCC1 ZINC000595732893 507653816 /nfs/dbraw/zinc/65/38/16/507653816.db2.gz KNKBCXYXZCXXLM-UHFFFAOYSA-N 0 3 365.481 3.030 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000611394520 507661306 /nfs/dbraw/zinc/66/13/06/507661306.db2.gz OXNJYBVXIPQYNG-SFHVURJKSA-N 0 3 356.853 3.425 20 30 FGEDHN COC(=O)C(C)(C)[C@H](NCCOc1cccc(C#N)c1)c1ccccc1 ZINC000611405019 507665899 /nfs/dbraw/zinc/66/58/99/507665899.db2.gz FQRIHRXDXKSKRV-LJQANCHMSA-N 0 3 352.434 3.467 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3cccc(F)c3)CCOCC2)c1 ZINC000595765701 507674307 /nfs/dbraw/zinc/67/43/07/507674307.db2.gz UXXUVJKOMXVDIN-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN COc1ccccc1[C@@H](CNc1cc(C#N)cc(C)n1)N1CCCCC1 ZINC000587363493 507709253 /nfs/dbraw/zinc/70/92/53/507709253.db2.gz KXBLPLYHXNMVJJ-LJQANCHMSA-N 0 3 350.466 3.331 20 30 FGEDHN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C[C@H](C)CCC#N ZINC000602435464 507711785 /nfs/dbraw/zinc/71/17/85/507711785.db2.gz UDNMSJXBOJQHOW-PBHICJAKSA-N 0 3 360.454 3.106 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](C[C@@H]4CCOC4)C3)C2=O)cc1 ZINC000611517022 507717094 /nfs/dbraw/zinc/71/70/94/507717094.db2.gz GDXXPFYHJYNBAY-DYXWJJEUSA-N 0 3 367.493 3.192 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907633 507737248 /nfs/dbraw/zinc/73/72/48/507737248.db2.gz BZQOFWNXGXTGRU-YUXAGFNASA-N 0 3 367.493 3.214 20 30 FGEDHN C[C@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@H](N)c1ccccc1 ZINC000595967092 507752354 /nfs/dbraw/zinc/75/23/54/507752354.db2.gz DDNOISYSGHRQED-JXFKEZNVSA-N 0 3 363.461 3.016 20 30 FGEDHN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(OCC#N)cc1 ZINC000824548419 608519776 /nfs/dbraw/zinc/51/97/76/608519776.db2.gz XFASQSZZJATPSH-VBKZILBWSA-N 0 3 374.448 3.497 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000069244177 695948536 /nfs/dbraw/zinc/94/85/36/695948536.db2.gz LCWJQHWBPHYDFJ-LBPRGKRZSA-N 0 3 358.305 3.093 20 30 FGEDHN Cc1csc(C(C#N)C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)n1 ZINC000076763811 700239750 /nfs/dbraw/zinc/23/97/50/700239750.db2.gz XHUJISOWGBXEKY-HOTGVXAUSA-N 0 3 353.447 3.127 20 30 FGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000120389617 700653767 /nfs/dbraw/zinc/65/37/67/700653767.db2.gz HNCIWZKVKVTMAX-LBPRGKRZSA-N 0 3 351.259 3.201 20 30 FGEDHN N#CC(C(=O)COc1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC000127842177 700767601 /nfs/dbraw/zinc/76/76/01/700767601.db2.gz HDTUZKUQZAPTSM-OAHLLOKOSA-N 0 3 373.206 3.175 20 30 FGEDHN N#CC(C(=O)COc1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC000127869323 700767887 /nfs/dbraw/zinc/76/78/87/700767887.db2.gz WDRUITDNEGKXSR-OAHLLOKOSA-N 0 3 373.206 3.175 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cncc(F)c1 ZINC000151615240 704930387 /nfs/dbraw/zinc/93/03/87/704930387.db2.gz DZLRVHQXLSHXIR-LLVKDONJSA-N 0 3 352.152 3.489 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCc2csc(C)n2)cc1 ZINC000175114487 705533231 /nfs/dbraw/zinc/53/32/31/705533231.db2.gz BRRXQGOJJXCWQM-MRXNPFEDSA-N 0 3 357.435 3.130 20 30 FGEDHN C#CCCCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000180206059 705732157 /nfs/dbraw/zinc/73/21/57/705732157.db2.gz VWTHNEPAUMTTQE-UHFFFAOYSA-N 0 3 362.901 3.493 20 30 FGEDHN CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000193429848 712890731 /nfs/dbraw/zinc/89/07/31/712890731.db2.gz XISJZDRTFOSMQI-AWEZNQCLSA-N 0 3 357.435 3.374 20 30 FGEDHN CCCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000193429848 712890733 /nfs/dbraw/zinc/89/07/33/712890733.db2.gz XISJZDRTFOSMQI-AWEZNQCLSA-N 0 3 357.435 3.374 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000245900948 713613088 /nfs/dbraw/zinc/61/30/88/713613088.db2.gz GDBBLZKVAQQIKC-GVDBMIGSSA-N 0 3 362.857 3.084 20 30 FGEDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000523911245 714258508 /nfs/dbraw/zinc/25/85/08/714258508.db2.gz ZDZYNLUBSWQXLT-OAHLLOKOSA-N 0 3 369.918 3.145 20 30 FGEDHN C=CC[C@H]1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000625702557 715776181 /nfs/dbraw/zinc/77/61/81/715776181.db2.gz ZJDOYADHZPSNNN-AWEZNQCLSA-N 0 3 356.388 3.142 20 30 FGEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000760811298 723094796 /nfs/dbraw/zinc/09/47/96/723094796.db2.gz CDVINSNVROINFM-MRXNPFEDSA-N 0 3 358.404 3.030 20 30 FGEDHN C=CCCn1cc(CNc2cccc(CN3CCSCC3)c2C)nn1 ZINC000657407465 719642788 /nfs/dbraw/zinc/64/27/88/719642788.db2.gz ODUQGSQYVLOMCW-UHFFFAOYSA-N 0 3 357.527 3.324 20 30 FGEDHN C#CCSCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000740026590 722534836 /nfs/dbraw/zinc/53/48/36/722534836.db2.gz ZMSGETZPJHGFHN-INIZCTEOSA-N 0 3 365.568 3.187 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[O-] ZINC000741465308 722546172 /nfs/dbraw/zinc/54/61/72/722546172.db2.gz UESPHFFCQFMEEJ-LKERYGQTSA-N 0 3 359.495 3.151 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[O-] ZINC000741465308 722546173 /nfs/dbraw/zinc/54/61/73/722546173.db2.gz UESPHFFCQFMEEJ-LKERYGQTSA-N 0 3 359.495 3.151 20 30 FGEDHN N#CC(C(=O)CCCOc1cccnc1)C(=O)Nc1ccc(Cl)cc1 ZINC000744024884 722572971 /nfs/dbraw/zinc/57/29/71/722572971.db2.gz CDTFGVQYSVZYLL-MRXNPFEDSA-N 0 3 357.797 3.242 20 30 FGEDHN C=CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccncc1 ZINC000749130049 722716960 /nfs/dbraw/zinc/71/69/60/722716960.db2.gz VPXDJABDINXSMC-DNVCBOLYSA-N 0 3 359.495 3.300 20 30 FGEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)O1 ZINC000757307601 722975851 /nfs/dbraw/zinc/97/58/51/722975851.db2.gz WROUBYORLNRDOE-LALPHHSUSA-N 0 3 364.829 3.262 20 30 FGEDHN CCO[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000761036093 723114711 /nfs/dbraw/zinc/11/47/11/723114711.db2.gz INJPIXIQMBXNCE-SUMWQHHRSA-N 0 3 366.845 3.447 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000767325624 723614834 /nfs/dbraw/zinc/61/48/34/723614834.db2.gz BIROJTRWNFDXNE-QGZVFWFLSA-N 0 3 352.400 3.450 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2sc3nccn3c2C)cc1 ZINC000769246924 723680682 /nfs/dbraw/zinc/68/06/82/723680682.db2.gz STDXSGVJVCPGCI-AWEZNQCLSA-N 0 3 352.419 3.228 20 30 FGEDHN C#CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000773107986 723776811 /nfs/dbraw/zinc/77/68/11/723776811.db2.gz SMFQSLLLHRZBPE-JXFKEZNVSA-N 0 3 356.491 3.352 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1CCC(=O)CC1 ZINC000773979755 723845446 /nfs/dbraw/zinc/84/54/46/723845446.db2.gz KTJCPJZSNOQGBV-ZDUSSCGKSA-N 0 3 362.813 3.064 20 30 FGEDHN COC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000786303413 724972261 /nfs/dbraw/zinc/97/22/61/724972261.db2.gz GJLOOILPFUFBTD-LBPRGKRZSA-N 0 3 356.394 3.464 20 30 FGEDHN COC(=O)CCN1CCC(N=Nc2nc(-c3ccccc3)cs2)CC1 ZINC000788701731 725082163 /nfs/dbraw/zinc/08/21/63/725082163.db2.gz JROJKFUQQNGXRP-UHFFFAOYSA-N 0 3 358.467 3.237 20 30 FGEDHN N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCN(C2CC2)CC1 ZINC000805855867 725100731 /nfs/dbraw/zinc/10/07/31/725100731.db2.gz OIGOQCVCBJNHSG-AWEZNQCLSA-N 0 3 363.820 3.001 20 30 FGEDHN C#Cc1ccc(CNCc2c(Cl)cccc2N2CCN(C)CC2)cc1 ZINC000809623273 725253136 /nfs/dbraw/zinc/25/31/36/725253136.db2.gz SAHYYGPMVCXXGI-UHFFFAOYSA-N 0 3 353.897 3.363 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810529605 725312828 /nfs/dbraw/zinc/31/28/28/725312828.db2.gz KJYXBOQEJPTXPT-VXGBXAGGSA-N 0 3 366.870 3.448 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000818612070 727316887 /nfs/dbraw/zinc/31/68/87/727316887.db2.gz MZBHFPRQOPFRRY-UHFFFAOYSA-N 0 3 363.255 3.189 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCN(C3CC3)C2)s1 ZINC000819162014 727353949 /nfs/dbraw/zinc/35/39/49/727353949.db2.gz CWWMAAPDOOUIPJ-GFCCVEGCSA-N 0 3 371.959 3.192 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)C#Cc3cccs3)c(C)c2)CC1 ZINC000823882494 729311316 /nfs/dbraw/zinc/31/13/16/729311316.db2.gz NYVGWODGQWMWGX-UHFFFAOYSA-N 0 3 353.491 3.189 20 30 FGEDHN COc1cccc(N2CC[C@@H](CNCc3cc(C#N)cnc3Cl)C2)c1 ZINC000876998929 736173375 /nfs/dbraw/zinc/17/33/75/736173375.db2.gz OOBHUXYUJVMSPS-AWEZNQCLSA-N 0 3 356.857 3.231 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1oc(C)nc1C ZINC000828867324 729448999 /nfs/dbraw/zinc/44/89/99/729448999.db2.gz ATKRNPQOXNYICY-UHFFFAOYSA-N 0 3 361.515 3.390 20 30 FGEDHN CO[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1(C)C ZINC000831547768 729650183 /nfs/dbraw/zinc/65/01/83/729650183.db2.gz VWKSTFUMOLSZHF-GUYCJALGSA-N 0 3 357.479 3.219 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1sccc1Br ZINC000835058097 729854024 /nfs/dbraw/zinc/85/40/24/729854024.db2.gz YNRYEOJOQFXNJI-LLVKDONJSA-N 0 3 371.300 3.458 20 30 FGEDHN CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)[N+](=O)[O-] ZINC000835064735 729854898 /nfs/dbraw/zinc/85/48/98/729854898.db2.gz HJRLRYOPKKKKCF-SNVBAGLBSA-N 0 3 372.208 3.476 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(Br)c2C)CC1 ZINC000836674975 729964543 /nfs/dbraw/zinc/96/45/43/729964543.db2.gz HPNXJVDLRGIKGZ-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1cc(C#N)ccc1F ZINC000838493425 730124563 /nfs/dbraw/zinc/12/45/63/730124563.db2.gz FTNZATBSPFCQCD-UHFFFAOYSA-N 0 3 360.458 3.032 20 30 FGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCc1scnc1C)c1ccccc1 ZINC000842343302 730487777 /nfs/dbraw/zinc/48/77/77/730487777.db2.gz VMOFATYWWDOPOG-HZPDHXFCSA-N 0 3 355.463 3.361 20 30 FGEDHN CC(C)O[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000844377255 730710194 /nfs/dbraw/zinc/71/01/94/730710194.db2.gz DNPVOKAPQMGROW-CABCVRRESA-N 0 3 357.479 3.362 20 30 FGEDHN CCn1ccc(CC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000845443304 730850559 /nfs/dbraw/zinc/85/05/59/730850559.db2.gz PHJGATZKLZCJHQ-CQSZACIVSA-N 0 3 365.220 3.100 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1ccnc1 ZINC000845442566 730850574 /nfs/dbraw/zinc/85/05/74/730850574.db2.gz MREKNXAADJMQSN-ZYHUDNBSSA-N 0 3 365.220 3.489 20 30 FGEDHN C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010996 730918179 /nfs/dbraw/zinc/91/81/79/730918179.db2.gz PWKWKDWEXKESOJ-CVEARBPZSA-N 0 3 351.491 3.074 20 30 FGEDHN N#CC(C(=O)C[C@H]1OCc2cc(Cl)ccc21)C(=O)NC1CCCCC1 ZINC000847624893 731071660 /nfs/dbraw/zinc/07/16/60/731071660.db2.gz YGQZADLROOFPFF-FUHWJXTLSA-N 0 3 360.841 3.459 20 30 FGEDHN N#CC(C(=O)CCc1ccccc1C(F)(F)F)C(=O)NC1CCCC1 ZINC000870160262 733818138 /nfs/dbraw/zinc/81/81/38/733818138.db2.gz YEVFJCRBVPADNL-AWEZNQCLSA-N 0 3 352.356 3.406 20 30 FGEDHN COC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(Br)c1 ZINC000872236268 735607390 /nfs/dbraw/zinc/60/73/90/735607390.db2.gz LODHQFOHKRCQMC-LSDHHAIUSA-N 0 3 355.276 3.027 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 ZINC000876583802 736116551 /nfs/dbraw/zinc/11/65/51/736116551.db2.gz QUZJJRKPKYNFSE-CQSZACIVSA-N 0 3 358.269 3.230 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000876697815 736133452 /nfs/dbraw/zinc/13/34/52/736133452.db2.gz JJNVUUGSBCEDRC-HOTGVXAUSA-N 0 3 364.898 3.280 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000876725126 736136574 /nfs/dbraw/zinc/13/65/74/736136574.db2.gz NCATYWZVTKTDJZ-KDOFPFPSSA-N 0 3 359.857 3.308 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000876891023 736158386 /nfs/dbraw/zinc/15/83/86/736158386.db2.gz OIYBXWQBGRPOJI-VHSXEESVSA-N 0 3 367.824 3.338 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000876899017 736160006 /nfs/dbraw/zinc/16/00/06/736160006.db2.gz ZEVCYCDJJZYPMR-KGLIPLIRSA-N 0 3 362.779 3.075 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000876899015 736160266 /nfs/dbraw/zinc/16/02/66/736160266.db2.gz ZEVCYCDJJZYPMR-KBPBESRZSA-N 0 3 362.779 3.075 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000876932139 736164774 /nfs/dbraw/zinc/16/47/74/736164774.db2.gz FAJFWOYNLBAADY-CYBMUJFWSA-N 0 3 353.919 3.198 20 30 FGEDHN Cc1nc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)sc1-c1ccccc1 ZINC000884078159 737631600 /nfs/dbraw/zinc/63/16/00/737631600.db2.gz HNCFMEJMWRZENU-HVEKOLDVSA-N 0 3 352.463 3.196 20 30 FGEDHN C[C@@H]1C[C@@H]1[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(Cl)cc1 ZINC000884157354 737639202 /nfs/dbraw/zinc/63/92/02/737639202.db2.gz YKZRJNHSHWZPJH-WVEFXRJISA-N 0 3 357.885 3.293 20 30 FGEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@H]2C#N)Cc1cccc(Cl)c1 ZINC000884164082 737639567 /nfs/dbraw/zinc/63/95/67/737639567.db2.gz XOFOHLIVRIIDFG-LFDOHDQPSA-N 0 3 359.901 3.164 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(CCC(F)(F)F)c1)C2 ZINC000884170658 737639641 /nfs/dbraw/zinc/63/96/41/737639641.db2.gz BENHDASIIUAXBJ-XOYHFGRZSA-N 0 3 351.372 3.259 20 30 FGEDHN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884330623 737656452 /nfs/dbraw/zinc/65/64/52/737656452.db2.gz RZHIYXQMPBYHJP-HPZFQONSSA-N 0 3 366.292 3.180 20 30 FGEDHN C#CCN(C(=O)/C(C)=C/c1ccc(Br)o1)C1CCN(C)CC1 ZINC000886572363 739270967 /nfs/dbraw/zinc/27/09/67/739270967.db2.gz JEBPQNFKDOUXLF-OUKQBFOZSA-N 0 3 365.271 3.001 20 30 FGEDHN Cc1cnc(Cl)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000888222854 739483381 /nfs/dbraw/zinc/48/33/81/739483381.db2.gz RRTPONWTDPOOSJ-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN C#CCC1(O)CCN(Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000895675958 742439313 /nfs/dbraw/zinc/43/93/13/742439313.db2.gz WQNQYNBRFMPEFA-UHFFFAOYSA-N 0 3 357.885 3.493 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000897249282 742658681 /nfs/dbraw/zinc/65/86/81/742658681.db2.gz SBQMKGVGDAOBQW-SWLSCSKDSA-N 0 3 364.877 3.390 20 30 FGEDHN C[C@H](NC[C@@H](CO)Cc1cccc(Br)c1)c1cc(C#N)ccn1 ZINC000902972746 743794512 /nfs/dbraw/zinc/79/45/12/743794512.db2.gz HERAHTBZRUOVSC-BBRMVZONSA-N 0 3 374.282 3.218 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(C#N)CCSCC1 ZINC000903553630 743859142 /nfs/dbraw/zinc/85/91/42/743859142.db2.gz IMPGPQSVVBTXDB-QGZVFWFLSA-N 0 3 357.523 3.146 20 30 FGEDHN CC1/C(=C/c2cc(Cl)ccc2OC[C@H]2CCCO2)C(=O)c2ncnn21 ZINC000905087692 743992384 /nfs/dbraw/zinc/99/23/84/743992384.db2.gz YQCSKQWNULRVGT-XTQWFWOSSA-N 0 3 359.813 3.330 20 30 FGEDHN Cc1ccc(SCC(=O)C(C#N)C(=O)NCCCOC(C)C)c(C)c1 ZINC000916872978 758148321 /nfs/dbraw/zinc/14/83/21/758148321.db2.gz QIAPHABGAHHFDZ-INIZCTEOSA-N 0 3 362.495 3.036 20 30 FGEDHN COc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000916880592 758149941 /nfs/dbraw/zinc/14/99/41/758149941.db2.gz CSTIPUQJVPTZGG-INIZCTEOSA-N 0 3 358.781 3.075 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)COc1cccc(Cl)c1 ZINC000916930025 758155177 /nfs/dbraw/zinc/15/51/77/758155177.db2.gz RMRJEGFIKBGPCL-CQSZACIVSA-N 0 3 358.781 3.075 20 30 FGEDHN C#CCN(C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)C1CCN(C)CC1 ZINC000922683015 758979055 /nfs/dbraw/zinc/97/90/55/758979055.db2.gz NJSJOKQUAWEZLR-HOCLYGCPSA-N 0 3 359.436 3.237 20 30 FGEDHN C#CCN(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 ZINC000923279986 759095303 /nfs/dbraw/zinc/09/53/03/759095303.db2.gz VQIKVLQUYQRRKW-UHFFFAOYSA-N 0 3 354.281 3.232 20 30 FGEDHN CC(C)[C@H](O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945060 761281707 /nfs/dbraw/zinc/28/17/07/761281707.db2.gz QPCRLJHKRWJTGK-IWSPIJDZSA-N 0 3 355.269 3.106 20 30 FGEDHN Cn1cc([C@@H]2CSCCCN2CCCOc2ccc(C#N)cc2)cn1 ZINC000933979771 761512459 /nfs/dbraw/zinc/51/24/59/761512459.db2.gz AFVUQGZRGZBMCR-IBGZPJMESA-N 0 3 356.495 3.241 20 30 FGEDHN C[C@@H](N[C@H]1CCOC12CCCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000934386977 761619475 /nfs/dbraw/zinc/61/94/75/761619475.db2.gz ATBGXCXJSTYLAX-WBMJQRKESA-N 0 3 359.495 3.127 20 30 FGEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC000969680708 762859711 /nfs/dbraw/zinc/85/97/11/762859711.db2.gz NOKPWBAHKJOWIT-XZJFIMKMSA-N 0 3 356.432 3.061 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000970241701 762874114 /nfs/dbraw/zinc/87/41/14/762874114.db2.gz MDQBAZQYTBRYOL-VKJFTORMSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccc(C)cc2Cl)C1 ZINC001022099860 765973285 /nfs/dbraw/zinc/97/32/85/765973285.db2.gz RMNNVVHNKGITNX-NTDBWNAOSA-N 0 3 362.901 3.366 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001023148509 766033669 /nfs/dbraw/zinc/03/36/69/766033669.db2.gz JTCWAHBDQFAQLD-XUWVNRHRSA-N 0 3 367.262 3.075 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cc(C)sc1C ZINC001024662468 766061644 /nfs/dbraw/zinc/06/16/44/766061644.db2.gz YBYSLJVQCKSDPD-OTWHNJEPSA-N 0 3 362.539 3.427 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033086985 766205237 /nfs/dbraw/zinc/20/52/37/766205237.db2.gz NPPBDMHMUASJSP-QRVBRYPASA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001035074826 766255680 /nfs/dbraw/zinc/25/56/80/766255680.db2.gz HVLYSTVDRQLTJK-AOIWGVFYSA-N 0 3 362.901 3.402 20 30 FGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC001041376911 766331713 /nfs/dbraw/zinc/33/17/13/766331713.db2.gz YARHFGKDVSOGBJ-JFIYKMOQSA-N 0 3 356.432 3.303 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001045237577 766521425 /nfs/dbraw/zinc/52/14/25/766521425.db2.gz HVLYSTVDRQLTJK-LNLFQRSKSA-N 0 3 362.901 3.402 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000029477125 257336517 /nfs/dbraw/zinc/33/65/17/257336517.db2.gz AWBBSXIMXJOBLY-LJQANCHMSA-N 0 3 369.490 3.394 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@@H](c2ccc(SC)cc2)N(C)C)nc1 ZINC000573581827 505571320 /nfs/dbraw/zinc/57/13/20/505571320.db2.gz UFECWLFEJNLZAQ-SFHVURJKSA-N 0 3 370.522 3.434 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000576828708 505605101 /nfs/dbraw/zinc/60/51/01/505605101.db2.gz RDEABFKMFXMYFT-IQAUEXFUSA-N 0 3 372.435 3.173 20 30 FGEDHN CC(C)[C@@H](NC[C@H](O)CN(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000570956216 505620833 /nfs/dbraw/zinc/62/08/33/505620833.db2.gz YCLNEGPOZROLIM-DLBZAZTESA-N 0 3 357.420 3.198 20 30 FGEDHN CC(C)(COc1ncccc1Br)NCc1ccc(C#N)cn1 ZINC000577014065 505645119 /nfs/dbraw/zinc/64/51/19/505645119.db2.gz CPTAONVLMNWWOZ-UHFFFAOYSA-N 0 3 361.243 3.058 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000080958591 493800326 /nfs/dbraw/zinc/80/03/26/493800326.db2.gz UHEJWWVPSFLSRO-CQSZACIVSA-N 0 3 357.845 3.143 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029178159 493823275 /nfs/dbraw/zinc/82/32/75/493823275.db2.gz CIZULFXZOYDXAB-UWJYYQICSA-N 0 3 363.461 3.279 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)N(C)c3cccc(C#N)c3)CC2)c1 ZINC000081292360 493862103 /nfs/dbraw/zinc/86/21/03/493862103.db2.gz NDMZXXCJROXDJX-UHFFFAOYSA-N 0 3 362.477 3.042 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000050107618 493898092 /nfs/dbraw/zinc/89/80/92/493898092.db2.gz BZHDRPNQWMKUPT-UHFFFAOYSA-N 0 3 364.449 3.353 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)COc2ccc(C#N)cc2)CC1 ZINC000084259715 494061177 /nfs/dbraw/zinc/06/11/77/494061177.db2.gz CPHNIYPHITVVGN-UHFFFAOYSA-N 0 3 363.461 3.060 20 30 FGEDHN N#Cc1cccc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000063565942 494065134 /nfs/dbraw/zinc/06/51/34/494065134.db2.gz MKIQFUYBUQZKSU-CQSZACIVSA-N 0 3 351.233 3.395 20 30 FGEDHN COc1ccc(CN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C2CC2)cc1 ZINC000053097947 494093689 /nfs/dbraw/zinc/09/36/89/494093689.db2.gz DBPBWCDPJONWSM-HRAATJIYSA-N 0 3 357.498 3.350 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000077536706 494107638 /nfs/dbraw/zinc/10/76/38/494107638.db2.gz DOJLPCIAOPNLMB-LJQANCHMSA-N 0 3 366.465 3.027 20 30 FGEDHN Cc1nc(SCC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000064311967 494113084 /nfs/dbraw/zinc/11/30/84/494113084.db2.gz FHKKSKHNRGKDNQ-KGLIPLIRSA-N 0 3 374.554 3.207 20 30 FGEDHN COc1ccc(CCCN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000072014304 494116991 /nfs/dbraw/zinc/11/69/91/494116991.db2.gz TXAWORZDWUORMK-INIZCTEOSA-N 0 3 351.450 3.458 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(CCC(C)(C)C)CC1 ZINC000077589522 494122981 /nfs/dbraw/zinc/12/29/81/494122981.db2.gz DDTLUTHADSCENE-HXUWFJFHSA-N 0 3 360.542 3.209 20 30 FGEDHN COc1ccc(CNC[C@H]2Cc3ccccc3O2)cc1OCCCC#N ZINC000064613823 494138025 /nfs/dbraw/zinc/13/80/25/494138025.db2.gz TXPZAXUMRGCMCD-GOSISDBHSA-N 0 3 352.434 3.471 20 30 FGEDHN CC(C)C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000577298132 505702155 /nfs/dbraw/zinc/70/21/55/505702155.db2.gz HLZAKBFFRJWPBT-SFHVURJKSA-N 0 3 357.479 3.104 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000571307563 505702739 /nfs/dbraw/zinc/70/27/39/505702739.db2.gz FJYLGQBUDRTFLV-GOSISDBHSA-N 0 3 357.841 3.254 20 30 FGEDHN CN(CCN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 ZINC000065971387 494263826 /nfs/dbraw/zinc/26/38/26/494263826.db2.gz HKYMFBGKGFGURP-UHFFFAOYSA-N 0 3 369.918 3.097 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(COc3ccccc3)CC2)cc1 ZINC000055082015 494298417 /nfs/dbraw/zinc/29/84/17/494298417.db2.gz XPJWXWWSKIFSSA-HXUWFJFHSA-N 0 3 366.461 3.089 20 30 FGEDHN N#CCOc1cccc(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000089595042 494328285 /nfs/dbraw/zinc/32/82/85/494328285.db2.gz RJLJTTBXNYQMAQ-SFHVURJKSA-N 0 3 369.490 3.146 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NC1CCN(CCc2ccccc2)CC1 ZINC000078937987 494381418 /nfs/dbraw/zinc/38/14/18/494381418.db2.gz FZJXVNLRYJCFIX-UHFFFAOYSA-N 0 3 361.489 3.044 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812983 494465686 /nfs/dbraw/zinc/46/56/86/494465686.db2.gz DQPPKZODMMRRRM-HOTGVXAUSA-N 0 3 357.498 3.499 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)N(C)C)cc1 ZINC000067268804 494504672 /nfs/dbraw/zinc/50/46/72/494504672.db2.gz CGTJHZMLKOJHOO-UZLBHIALSA-N 0 3 351.450 3.053 20 30 FGEDHN COc1ccc(C)cc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010404 494614443 /nfs/dbraw/zinc/61/44/43/494614443.db2.gz CTCXLKRDUDUVGB-UHFFFAOYSA-N 0 3 365.477 3.008 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C)c2ccccc12 ZINC000047011127 494617344 /nfs/dbraw/zinc/61/73/44/494617344.db2.gz WUJJRDYEVRESEJ-UHFFFAOYSA-N 0 3 360.461 3.254 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2cccc(OCCCC#N)c2)C[C@H](C)O1 ZINC000092506596 494650270 /nfs/dbraw/zinc/65/02/70/494650270.db2.gz GTFVOWOOMAYNCH-ZVDOUQERSA-N 0 3 371.525 3.443 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000108345034 494686505 /nfs/dbraw/zinc/68/65/05/494686505.db2.gz DRYCWVZYESSYQU-KRWDZBQOSA-N 0 3 363.461 3.209 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000108339721 494686812 /nfs/dbraw/zinc/68/68/12/494686812.db2.gz GNYKAEMVGPJSGA-KRWDZBQOSA-N 0 3 363.461 3.209 20 30 FGEDHN CCC[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000091968170 494739109 /nfs/dbraw/zinc/73/91/09/494739109.db2.gz GLIPKCLCIXCMNU-WBVHZDCISA-N 0 3 353.388 3.249 20 30 FGEDHN N#CCSCCCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000080625792 494750108 /nfs/dbraw/zinc/75/01/08/494750108.db2.gz QWFHHJPEUIYPOZ-UHFFFAOYSA-N 0 3 358.433 3.259 20 30 FGEDHN CN(CCOc1ccccc1Cl)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025699769 494770608 /nfs/dbraw/zinc/77/06/08/494770608.db2.gz AUHNHLXAXVJIFO-QGZVFWFLSA-N 0 3 374.868 3.157 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000116402866 494774074 /nfs/dbraw/zinc/77/40/74/494774074.db2.gz YQULLWIMYPPWST-INIZCTEOSA-N 0 3 364.367 3.449 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000025865933 494785508 /nfs/dbraw/zinc/78/55/08/494785508.db2.gz MDZWIMOCJATYMD-QFIPXVFZSA-N 0 3 364.489 3.447 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc(OC)c1O ZINC000093134049 494830437 /nfs/dbraw/zinc/83/04/37/494830437.db2.gz JJNBSVSPCIVRLD-KRWDZBQOSA-N 0 3 368.481 3.047 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000109290527 494855318 /nfs/dbraw/zinc/85/53/18/494855318.db2.gz KXPRLLDNOJJTEA-FXAWDEMLSA-N 0 3 357.498 3.198 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000093362999 494879861 /nfs/dbraw/zinc/87/98/61/494879861.db2.gz RCHFVRPQHUXGJI-HXUWFJFHSA-N 0 3 354.498 3.013 20 30 FGEDHN CCC1(CO)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093591575 494902308 /nfs/dbraw/zinc/90/23/08/494902308.db2.gz DTMNFXQORKEOSY-UHFFFAOYSA-N 0 3 352.482 3.448 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000122127099 494928266 /nfs/dbraw/zinc/92/82/66/494928266.db2.gz KYYMUXAFAAIODV-OAQYLSRUSA-N 0 3 350.437 3.377 20 30 FGEDHN Cn1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C(C)(C)C)n1 ZINC000093964410 494938410 /nfs/dbraw/zinc/93/84/10/494938410.db2.gz QATUBMPWYOFBML-QGZVFWFLSA-N 0 3 369.488 3.487 20 30 FGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000577570923 505755205 /nfs/dbraw/zinc/75/52/05/505755205.db2.gz APSQESZVMNYGLW-XYPHTWIQSA-N 0 3 365.399 3.478 20 30 FGEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000577570921 505755307 /nfs/dbraw/zinc/75/53/07/505755307.db2.gz APSQESZVMNYGLW-KBRIMQKVSA-N 0 3 365.399 3.478 20 30 FGEDHN C[C@H](CCNCc1cccc(OCc2ccccc2C#N)c1)[S@](C)=O ZINC000133481506 495019026 /nfs/dbraw/zinc/01/90/26/495019026.db2.gz SNLKVASJYAEWCS-PUAOIOHZSA-N 0 3 356.491 3.384 20 30 FGEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC000571541790 505758080 /nfs/dbraw/zinc/75/80/80/505758080.db2.gz NWAIAHHFHFQWII-UHFFFAOYSA-N 0 3 373.545 3.060 20 30 FGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000098123180 495059418 /nfs/dbraw/zinc/05/94/18/495059418.db2.gz XVSQZYHICXNRJE-CQSZACIVSA-N 0 3 370.415 3.034 20 30 FGEDHN N#Cc1ccnc(Nc2ccc(CCN3CCSCC3)cc2)c1[N+](=O)[O-] ZINC000133884408 495074785 /nfs/dbraw/zinc/07/47/85/495074785.db2.gz XGHZARUZNKBOQH-UHFFFAOYSA-N 0 3 369.450 3.196 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000111453146 495076232 /nfs/dbraw/zinc/07/62/32/495076232.db2.gz VUDZNMDDMXYQDI-UHFFFAOYSA-N 0 3 353.466 3.312 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000119129372 495100141 /nfs/dbraw/zinc/10/01/41/495100141.db2.gz SMUPRRAFSWLCSS-UHFFFAOYSA-N 0 3 362.543 3.057 20 30 FGEDHN CCN(CC)[C@H](CNCc1cnc2ccc(C#N)cn12)c1ccsc1 ZINC000123284232 495108541 /nfs/dbraw/zinc/10/85/41/495108541.db2.gz JBSUVIRARHCKEE-GOSISDBHSA-N 0 3 353.495 3.440 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)ccc2OC)CC1 ZINC000119279799 495133149 /nfs/dbraw/zinc/13/31/49/495133149.db2.gz CRBGOMHVFXNWJH-UHFFFAOYSA-N 0 3 367.287 3.228 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000112220373 495156736 /nfs/dbraw/zinc/15/67/36/495156736.db2.gz QMDPYQQBRUOECK-UHFFFAOYSA-N 0 3 357.498 3.282 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)N(C)CCC#N ZINC000112526588 495201342 /nfs/dbraw/zinc/20/13/42/495201342.db2.gz VQINIUMHDHRZRB-DLBZAZTESA-N 0 3 366.465 3.072 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCCCCn2cccn2)CC1 ZINC000104680624 495296683 /nfs/dbraw/zinc/29/66/83/495296683.db2.gz KLXATHMRXASJGA-UHFFFAOYSA-N 0 3 374.492 3.295 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000125039134 495381184 /nfs/dbraw/zinc/38/11/84/495381184.db2.gz ALWFCJVGKSBTSP-LJQANCHMSA-N 0 3 372.557 3.442 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2)CC1 ZINC000106035749 495406339 /nfs/dbraw/zinc/40/63/39/495406339.db2.gz YFTXNQGUQDSGSH-UHFFFAOYSA-N 0 3 358.873 3.296 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCO[C@@H](C)c2ccccc2)CC1 ZINC000106257171 495440059 /nfs/dbraw/zinc/44/00/59/495440059.db2.gz JSUPNLAXMWPWFD-SFHVURJKSA-N 0 3 359.514 3.494 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000125516878 495456925 /nfs/dbraw/zinc/45/69/25/495456925.db2.gz RJZKLKXPWIGSLV-SFHVURJKSA-N 0 3 358.482 3.112 20 30 FGEDHN CCN(CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CC1 ZINC000115362203 495494717 /nfs/dbraw/zinc/49/47/17/495494717.db2.gz PNGHNYHFFAOLHO-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN CC(C)[C@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000140515895 495496913 /nfs/dbraw/zinc/49/69/13/495496913.db2.gz UEDIVTQRPIXMSN-QGZVFWFLSA-N 0 3 352.400 3.294 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N(C)C ZINC000107374786 495526284 /nfs/dbraw/zinc/52/62/84/495526284.db2.gz BOVYPQWLIGAHIV-UHFFFAOYSA-N 0 3 365.481 3.220 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)c(OC)cc2F)CC1 ZINC000107379751 495526580 /nfs/dbraw/zinc/52/65/80/495526580.db2.gz VDWOEVYDWJFQTE-UHFFFAOYSA-N 0 3 351.422 3.005 20 30 FGEDHN Cc1noc(-c2ccccc2C(=O)C(C#N)c2nc3ccccc3n2C)n1 ZINC000182560958 495615878 /nfs/dbraw/zinc/61/58/78/495615878.db2.gz OFHGVXUFVVOYIT-HNNXBMFYSA-N 0 3 357.373 3.422 20 30 FGEDHN CCN(C[C@H]1CCN(CCOc2ccccc2C#N)C1)CC(F)(F)F ZINC000176402917 495638007 /nfs/dbraw/zinc/63/80/07/495638007.db2.gz DOEMBXHKMLVZST-OAHLLOKOSA-N 0 3 355.404 3.143 20 30 FGEDHN CC(C)CN1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000170983591 495677584 /nfs/dbraw/zinc/67/75/84/495677584.db2.gz ATBYOKWBFMUDHI-QGZVFWFLSA-N 0 3 374.554 3.293 20 30 FGEDHN Cc1noc([C@@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000179941094 495793025 /nfs/dbraw/zinc/79/30/25/495793025.db2.gz BAOLJOZNCYYDOR-QGZVFWFLSA-N 0 3 362.437 3.030 20 30 FGEDHN CC(C)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000183060001 495817922 /nfs/dbraw/zinc/81/79/22/495817922.db2.gz VHSGTMCTFYOKOG-FQEVSTJZSA-N 0 3 371.525 3.479 20 30 FGEDHN CN(CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)Cc1ccccc1 ZINC000171317579 495818250 /nfs/dbraw/zinc/81/82/50/495818250.db2.gz XRNMPOSUHREOFD-UHFFFAOYSA-N 0 3 362.477 3.364 20 30 FGEDHN COc1ccc([C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000176883861 495825457 /nfs/dbraw/zinc/82/54/57/495825457.db2.gz IYDXWJDXQAQWMN-FQEVSTJZSA-N 0 3 372.490 3.327 20 30 FGEDHN COc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000180028183 495830212 /nfs/dbraw/zinc/83/02/12/495830212.db2.gz UEKXADXQKJJVNU-UHFFFAOYSA-N 0 3 362.433 3.266 20 30 FGEDHN N#CCc1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 ZINC000155145802 495851557 /nfs/dbraw/zinc/85/15/57/495851557.db2.gz PQUULDIQDVILMA-UHFFFAOYSA-N 0 3 363.461 3.209 20 30 FGEDHN Cn1cc(CNCCOc2ccc(F)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000180178084 495893794 /nfs/dbraw/zinc/89/37/94/495893794.db2.gz SOGWHCMTNJBWMH-UHFFFAOYSA-N 0 3 368.387 3.406 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(OCc3cscn3)c2)CC1 ZINC000171535126 495919009 /nfs/dbraw/zinc/91/90/09/495919009.db2.gz DPVKFYUNIBDELY-UHFFFAOYSA-N 0 3 372.494 3.494 20 30 FGEDHN Cn1cc(CNC[C@@](C)(O)c2ccsc2)c(-c2ccc(C#N)cc2)n1 ZINC000180238975 495921014 /nfs/dbraw/zinc/92/10/14/495921014.db2.gz FMZLMJAEQHVNEF-LJQANCHMSA-N 0 3 352.463 3.018 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000155449121 495960145 /nfs/dbraw/zinc/96/01/45/495960145.db2.gz VQPVFAAHBKCFGQ-UHFFFAOYSA-N 0 3 363.461 3.222 20 30 FGEDHN COc1ccc(C#N)cc1CNc1ccccc1CN1CCC(CO)CC1 ZINC000151920137 495992858 /nfs/dbraw/zinc/99/28/58/495992858.db2.gz NSLPLGDYLBWXRB-UHFFFAOYSA-N 0 3 365.477 3.383 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000171703171 495995695 /nfs/dbraw/zinc/99/56/95/495995695.db2.gz PHLLAFAMMUSRSD-UHFFFAOYSA-N 0 3 353.919 3.382 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000171717833 496004975 /nfs/dbraw/zinc/00/49/75/496004975.db2.gz NRLGGKBXFPWDOS-UHFFFAOYSA-N 0 3 358.482 3.397 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2OCc2c(C)noc2C)CC1 ZINC000171719467 496006112 /nfs/dbraw/zinc/00/61/12/496006112.db2.gz GHAZPFDAXSZOLR-UHFFFAOYSA-N 0 3 369.465 3.251 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000171722433 496007500 /nfs/dbraw/zinc/00/75/00/496007500.db2.gz VUOYKPVQOYABEE-UHFFFAOYSA-N 0 3 357.479 3.199 20 30 FGEDHN COc1cc(CNCCOc2ccc(C#N)cc2)c(SC)cc1OC ZINC000174558969 496010163 /nfs/dbraw/zinc/01/01/63/496010163.db2.gz GJRWEPKZQHDPEU-UHFFFAOYSA-N 0 3 358.463 3.466 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 ZINC000171730273 496010745 /nfs/dbraw/zinc/01/07/45/496010745.db2.gz ASLYDYMNJNAZCA-UHFFFAOYSA-N 0 3 372.513 3.243 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000171738460 496014670 /nfs/dbraw/zinc/01/46/70/496014670.db2.gz SHLXMYSYHQIKBY-FQEVSTJZSA-N 0 3 357.498 3.028 20 30 FGEDHN C[C@H](CC(=O)Nc1cccnc1Cl)NCc1ccc(OCC#N)cc1 ZINC000180554753 496043315 /nfs/dbraw/zinc/04/33/15/496043315.db2.gz ZDXZOKNTNOADCF-CYBMUJFWSA-N 0 3 358.829 3.144 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1coc(-c2ccccc2)n1 ZINC000152091746 496045330 /nfs/dbraw/zinc/04/53/30/496045330.db2.gz PLMWNSOENGIGTQ-UHFFFAOYSA-N 0 3 374.444 3.417 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2[C@H]2CCCOC2)c1C ZINC000574634108 505820479 /nfs/dbraw/zinc/82/04/79/505820479.db2.gz JHJWMHCWXMPFAX-FPOVZHCZSA-N 0 3 369.509 3.441 20 30 FGEDHN CC[C@H](NCCOc1ccc(C#N)cc1OC)c1ccc2c(c1)OCCO2 ZINC000180646996 496086199 /nfs/dbraw/zinc/08/61/99/496086199.db2.gz QWNAQQGOBLAGNU-KRWDZBQOSA-N 0 3 368.433 3.458 20 30 FGEDHN N#Cc1ccccc1OCCN[C@H](CO)c1cccc(Br)c1 ZINC000183894174 496150279 /nfs/dbraw/zinc/15/02/79/496150279.db2.gz XRGWDYAHQOSLDX-MRXNPFEDSA-N 0 3 361.239 3.023 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CCN(C)C1CC1 ZINC000186804692 496159789 /nfs/dbraw/zinc/15/97/89/496159789.db2.gz GXQGIBUVCXRNKU-UHFFFAOYSA-N 0 3 356.388 3.436 20 30 FGEDHN CN(CCC#N)c1ccc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000152487407 496165919 /nfs/dbraw/zinc/16/59/19/496165919.db2.gz YXDBLDQMMLNHFP-FQEVSTJZSA-N 0 3 368.525 3.307 20 30 FGEDHN CC(C)c1ccc2c(c1)[C@@H](NCCNC(=O)C1N=CC=CC1=O)CCCO2 ZINC000180881036 496183220 /nfs/dbraw/zinc/18/32/20/496183220.db2.gz ARBBGONPPONEPM-UNEBPCJRSA-N 0 3 369.465 3.140 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(C#N)c[nH]1 ZINC000177778060 496191344 /nfs/dbraw/zinc/19/13/44/496191344.db2.gz UBZZVKZUGLZFQX-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN C=CCc1cc(C(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)cc(OC)c1OC ZINC000177811967 496206153 /nfs/dbraw/zinc/20/61/53/496206153.db2.gz MNXKFKHFZSAUKS-MSOLQXFVSA-N 0 3 358.482 3.131 20 30 FGEDHN C=C(C)COCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000152971978 496311695 /nfs/dbraw/zinc/31/16/95/496311695.db2.gz PTDTXKWSLHFXII-SFHVURJKSA-N 0 3 370.415 3.150 20 30 FGEDHN C=C(C)COCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000152972089 496312225 /nfs/dbraw/zinc/31/22/25/496312225.db2.gz PTDTXKWSLHFXII-GOSISDBHSA-N 0 3 370.415 3.150 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)Cc2ccc(OC)cc2)CC1 ZINC000187152904 496316054 /nfs/dbraw/zinc/31/60/54/496316054.db2.gz TWMRJYASWXSNRG-UHFFFAOYSA-N 0 3 359.514 3.356 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)CCCCC1 ZINC000181231981 496321856 /nfs/dbraw/zinc/32/18/56/496321856.db2.gz MTYGWSUEUDIPNV-MJGOQNOKSA-N 0 3 355.482 3.087 20 30 FGEDHN Cc1nc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)ccc1C#N ZINC000178099306 496330133 /nfs/dbraw/zinc/33/01/33/496330133.db2.gz CRFXOLGYSXWBII-UHFFFAOYSA-N 0 3 364.449 3.379 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000181319423 496352294 /nfs/dbraw/zinc/35/22/94/496352294.db2.gz POPDWEHABCMKDQ-QGZVFWFLSA-N 0 3 350.466 3.220 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181326843 496354362 /nfs/dbraw/zinc/35/43/62/496354362.db2.gz BZTIKNPQBUWFNV-CVEARBPZSA-N 0 3 359.470 3.107 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000153116854 496358848 /nfs/dbraw/zinc/35/88/48/496358848.db2.gz VAEJBWUAJUZAQK-UHFFFAOYSA-N 0 3 363.483 3.477 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H](c2ccccc2)C2CCC2)c1 ZINC000156898467 496359648 /nfs/dbraw/zinc/35/96/48/496359648.db2.gz HGZNMFUAXKAOKQ-HXUWFJFHSA-N 0 3 354.475 3.463 20 30 FGEDHN COc1ccc(C[C@H](C)CN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000153340776 496425364 /nfs/dbraw/zinc/42/53/64/496425364.db2.gz GPNMSDHLZMRIKQ-FVJLSDCUSA-N 0 3 359.514 3.249 20 30 FGEDHN C=C(C)CN1CCC(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000181525557 496432440 /nfs/dbraw/zinc/43/24/40/496432440.db2.gz NIWUEIRMAYHGOU-UHFFFAOYSA-N 0 3 363.868 3.190 20 30 FGEDHN C[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181530283 496433159 /nfs/dbraw/zinc/43/31/59/496433159.db2.gz ZRYFEKQWSIODIE-SFHVURJKSA-N 0 3 365.477 3.272 20 30 FGEDHN CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCN(C)C1 ZINC000153496649 496475765 /nfs/dbraw/zinc/47/57/65/496475765.db2.gz WARXBVIUKQFWEY-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000153566961 496500858 /nfs/dbraw/zinc/50/08/58/496500858.db2.gz HFCCXZBZXKLQQH-QGZVFWFLSA-N 0 3 374.868 3.482 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccc(F)c1 ZINC000173028669 496526199 /nfs/dbraw/zinc/52/61/99/496526199.db2.gz YBRSSWYVZWAALV-MRXNPFEDSA-N 0 3 353.441 3.391 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCC)[C@H]2C[C@@H](OCC)C2(C)C)CC1 ZINC000178669540 496533784 /nfs/dbraw/zinc/53/37/84/496533784.db2.gz SKMNKELTOJOKSX-ZWKOTPCHSA-N 0 3 351.535 3.262 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000181882662 496584361 /nfs/dbraw/zinc/58/43/61/496584361.db2.gz AWDMBUSOYKPNTL-LAUBAEHRSA-N 0 3 365.477 3.249 20 30 FGEDHN C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000164580390 496620643 /nfs/dbraw/zinc/62/06/43/496620643.db2.gz OKRVUMIVGRAZAX-JTSKRJEESA-N 0 3 369.509 3.093 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCc2nccs2)C(C)C)CC1 ZINC000158212641 496651130 /nfs/dbraw/zinc/65/11/30/496651130.db2.gz TXEGLMAQFLFYCR-UHFFFAOYSA-N 0 3 350.532 3.146 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176060739 496665355 /nfs/dbraw/zinc/66/53/55/496665355.db2.gz PRFHKMOSMURPQV-UHFFFAOYSA-N 0 3 365.477 3.210 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000173414657 496682861 /nfs/dbraw/zinc/68/28/61/496682861.db2.gz SGHSPWXSSRJTOU-KRWDZBQOSA-N 0 3 372.469 3.395 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2cc(Cl)ccc2OCC)CC1 ZINC000179138736 496687107 /nfs/dbraw/zinc/68/71/07/496687107.db2.gz DEEUJXRSDTWIFU-UHFFFAOYSA-N 0 3 365.905 3.231 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000182257327 496721410 /nfs/dbraw/zinc/72/14/10/496721410.db2.gz WWRRYUMTBGWONZ-UHFFFAOYSA-N 0 3 367.497 3.022 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000268705046 496763671 /nfs/dbraw/zinc/76/36/71/496763671.db2.gz WHFKGRYRSVUHSG-HXUWFJFHSA-N 0 3 373.460 3.256 20 30 FGEDHN CC(C)(CCC#N)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685843 496854499 /nfs/dbraw/zinc/85/44/99/496854499.db2.gz WPMFWDKSKBLFGI-UHFFFAOYSA-N 0 3 361.437 3.399 20 30 FGEDHN C=CCCO[C@@H](C)c1nc(-c2ccc(OCCN(C)C)c(OC)c2)no1 ZINC000273699219 496878122 /nfs/dbraw/zinc/87/81/22/496878122.db2.gz GHBQDPOCLTWLHK-AWEZNQCLSA-N 0 3 361.442 3.339 20 30 FGEDHN CN1CCCN(c2ccc(-c3noc(-c4cccc(CC#N)c4)n3)cn2)CC1 ZINC000273723617 496885474 /nfs/dbraw/zinc/88/54/74/496885474.db2.gz AEYNXTNPRUYQLO-UHFFFAOYSA-N 0 3 374.448 3.007 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000188738401 496893504 /nfs/dbraw/zinc/89/35/04/496893504.db2.gz DEVMVAYOYWZIRM-UHFFFAOYSA-N 0 3 371.485 3.246 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000264444384 496901790 /nfs/dbraw/zinc/90/17/90/496901790.db2.gz LTZCTYUHUALZIQ-CALCHBBNSA-N 0 3 372.513 3.072 20 30 FGEDHN C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCC(C)CC1 ZINC000188767225 496902036 /nfs/dbraw/zinc/90/20/36/496902036.db2.gz TXVYPBZLGOHYCD-INIZCTEOSA-N 0 3 359.474 3.006 20 30 FGEDHN N#CCCN(C(=O)CN1CC[C@@H](N2CCCCC2)C1)c1cccc(Cl)c1 ZINC000264529315 496921032 /nfs/dbraw/zinc/92/10/32/496921032.db2.gz YBIUHQXIJGNOEN-LJQANCHMSA-N 0 3 374.916 3.147 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000189065066 496995900 /nfs/dbraw/zinc/99/59/00/496995900.db2.gz UPLPLXWVXNTHMW-CQSZACIVSA-N 0 3 357.454 3.401 20 30 FGEDHN COc1ccc([C@@H](NC[C@@H](O)COc2ccc(C#N)cc2)C2CC2)cc1 ZINC000192476111 497126549 /nfs/dbraw/zinc/12/65/49/497126549.db2.gz UNWMHILPYHPTID-NQIIRXRSSA-N 0 3 352.434 3.047 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000249018827 497150528 /nfs/dbraw/zinc/15/05/28/497150528.db2.gz KMFZSKGAEHPBGT-RLLQIKCJSA-N 0 3 372.852 3.071 20 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ZINC000279583695 497477868 /nfs/dbraw/zinc/47/78/68/497477868.db2.gz QVFSQSFNSDDXCX-HBGVWJBISA-N 0 3 359.429 3.229 20 30 FGEDHN CC(C)[C@H](O)C1(CNCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271973954 497501159 /nfs/dbraw/zinc/50/11/59/497501159.db2.gz IIVYMAABYMKFFE-FQEVSTJZSA-N 0 3 352.482 3.350 20 30 FGEDHN CN(C)C(=O)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000272038344 497519504 /nfs/dbraw/zinc/51/95/04/497519504.db2.gz FLZXCEJYWCGNLH-UHFFFAOYSA-N 0 3 362.477 3.337 20 30 FGEDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(C#N)c1 ZINC000245822380 497544733 /nfs/dbraw/zinc/54/47/33/497544733.db2.gz AITVLHHROSUIGJ-BRWVUGGUSA-N 0 3 350.466 3.418 20 30 FGEDHN C[C@H](CCC#N)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000276340054 497549944 /nfs/dbraw/zinc/54/99/44/497549944.db2.gz SYXGPFBQNQDIPK-CHWSQXEVSA-N 0 3 365.275 3.187 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272404559 497618825 /nfs/dbraw/zinc/61/88/25/497618825.db2.gz BGKFVBJLJCSTNW-MJGOQNOKSA-N 0 3 354.498 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/nfs/dbraw/zinc/78/26/53/497782653.db2.gz HHLMPMZFWYOTDT-UHFFFAOYSA-O 0 3 371.526 3.356 20 30 FGEDHN CSc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nc1 ZINC000273137084 497802964 /nfs/dbraw/zinc/80/29/64/497802964.db2.gz WEQGADZLSACEED-UHFFFAOYSA-N 0 3 369.494 3.271 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC000263634005 497804041 /nfs/dbraw/zinc/80/40/41/497804041.db2.gz GHCJPNBOKNLROU-WAYWQWQTSA-N 0 3 358.482 3.264 20 30 FGEDHN COc1ccccc1[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280613739 497826382 /nfs/dbraw/zinc/82/63/82/497826382.db2.gz XVIADPLOSUPEBW-MOPGFXCFSA-N 0 3 359.429 3.265 20 30 FGEDHN Cc1nnc([C@@H](C)NC(=O)N2CCN(CC3CCCCC3)CC2)s1 ZINC000329559018 497829025 /nfs/dbraw/zinc/82/90/25/497829025.db2.gz IGTJQYPLNQNVGD-CYBMUJFWSA-N 0 3 351.520 3.019 20 30 FGEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288587310 497838675 /nfs/dbraw/zinc/83/86/75/497838675.db2.gz CVBNVXKEQMLVNI-IYBDPMFKSA-N 0 3 353.388 3.227 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H]2CCCc3occc32)c(OC)c1 ZINC000575174763 505936907 /nfs/dbraw/zinc/93/69/07/505936907.db2.gz RTCQRAKDKUUNHC-WMZOPIPTSA-N 0 3 357.450 3.424 20 30 FGEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(CCOCC2)[C@@H]1C ZINC000329697247 497873096 /nfs/dbraw/zinc/87/30/96/497873096.db2.gz YFFKPWMSMWUJRO-CABCVRRESA-N 0 3 360.454 3.325 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)[C@@H]1C[C@@]13CCOC3)c1ccccc1O2 ZINC000329740073 497885872 /nfs/dbraw/zinc/88/58/72/497885872.db2.gz NWXCYCXYNKFNSE-ABSDTBQOSA-N 0 3 356.466 3.358 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3[O-])CC1)CC2 ZINC000572327829 505942023 /nfs/dbraw/zinc/94/20/23/505942023.db2.gz ZMBDBNZVEYFGIH-FQEVSTJZSA-N 0 3 361.445 3.146 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284758621 497890108 /nfs/dbraw/zinc/89/01/08/497890108.db2.gz CNNMLJDVICZFKZ-UHFFFAOYSA-N 0 3 373.909 3.425 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)c1 ZINC000299683420 497893624 /nfs/dbraw/zinc/89/36/24/497893624.db2.gz YGAIGFAIWFLSJL-UHFFFAOYSA-N 0 3 374.444 3.159 20 30 FGEDHN C[C@]1(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO[C@@H]1C1CC1 ZINC000329767318 497895268 /nfs/dbraw/zinc/89/52/68/497895268.db2.gz ZJRFDVSUVDUHQE-SBHAEUEKSA-N 0 3 357.498 3.285 20 30 FGEDHN CN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)C1(C#N)CCCCC1 ZINC000329815689 497912229 /nfs/dbraw/zinc/91/22/29/497912229.db2.gz NXKOQGVSPVGRKB-IPMKNSEASA-N 0 3 361.530 3.077 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000569488727 505947220 /nfs/dbraw/zinc/94/72/20/505947220.db2.gz HCUBPHJSKIUAHX-RBUKOAKNSA-N 0 3 357.498 3.182 20 30 FGEDHN CC[C@@H](C)N1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000296096845 497919739 /nfs/dbraw/zinc/91/97/39/497919739.db2.gz PWJXNQOUHBKACH-MRXNPFEDSA-N 0 3 362.905 3.003 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C#N)c1C ZINC000296095623 497919943 /nfs/dbraw/zinc/91/99/43/497919943.db2.gz UGPTUZUXPJZRAD-GUDXXQAFSA-N 0 3 357.454 3.032 20 30 FGEDHN Cc1cc(F)cc(-n2cc(C(=O)N[C@@H]3CCN(C4CCCC4)C3)nn2)c1 ZINC000329840243 497922219 /nfs/dbraw/zinc/92/22/19/497922219.db2.gz JMYSNBCVHYRRBB-OAHLLOKOSA-N 0 3 357.433 3.036 20 30 FGEDHN Cc1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000572357442 505949605 /nfs/dbraw/zinc/94/96/05/505949605.db2.gz WCMGTXWSHSMZRV-DENIHFKCSA-N 0 3 350.462 3.468 20 30 FGEDHN Cn1cc(CN[C@H]2C[C@@H](CO)c3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000364386229 497932315 /nfs/dbraw/zinc/93/23/15/497932315.db2.gz QUQZQDOYPGHTHV-UWJYYQICSA-N 0 3 358.445 3.269 20 30 FGEDHN CC(C)c1nnc([C@H]2CCCCN2CC(=O)NC2CCN(C3CC3)CC2)[nH]1 ZINC000329862752 497932645 /nfs/dbraw/zinc/93/26/45/497932645.db2.gz YTLZNRSYITWRKB-QGZVFWFLSA-N 0 3 374.533 3.038 20 30 FGEDHN CC(C)(C)c1csc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000280973774 497971229 /nfs/dbraw/zinc/97/12/29/497971229.db2.gz RUPXISLKNKMSOU-HNNXBMFYSA-N 0 3 352.463 3.311 20 30 FGEDHN Cc1oc(C(C)C)nc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000285161281 498009776 /nfs/dbraw/zinc/00/97/76/498009776.db2.gz PXOWNYVEDBJPMD-UHFFFAOYSA-N 0 3 354.454 3.182 20 30 FGEDHN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCCN1C1CCOCC1 ZINC000330248155 498077466 /nfs/dbraw/zinc/07/74/66/498077466.db2.gz FYVNWXNNBKGQJH-YZGWKJHDSA-N 0 3 358.482 3.364 20 30 FGEDHN CC1CCN(C[C@H](O)CNC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000330381233 498121085 /nfs/dbraw/zinc/12/10/85/498121085.db2.gz VQBFLOIEFISEBB-SNVBAGLBSA-N 0 3 351.299 3.452 20 30 FGEDHN N#Cc1cc(N[C@@H]2CCCN(Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000572502066 505984965 /nfs/dbraw/zinc/98/49/65/505984965.db2.gz GGHGJNSPVHLWMF-MRXNPFEDSA-N 0 3 351.410 3.125 20 30 FGEDHN C[C@@H](CNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000330497737 498143484 /nfs/dbraw/zinc/14/34/84/498143484.db2.gz YWFIMXIZNXTLFO-CVEARBPZSA-N 0 3 367.534 3.075 20 30 FGEDHN C=CCc1cc(CNCc2cccc(N3CCOCC3)c2)cc(OC)c1O ZINC000292853203 498171544 /nfs/dbraw/zinc/17/15/44/498171544.db2.gz BZTKFXBIDYPBEU-UHFFFAOYSA-N 0 3 368.477 3.256 20 30 FGEDHN CS[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000330806813 498197090 /nfs/dbraw/zinc/19/70/90/498197090.db2.gz HQSAYZQOQMCEKF-KBPBESRZSA-N 0 3 372.416 3.100 20 30 FGEDHN C=C(C)CN1CCC(Nc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000301686374 498223207 /nfs/dbraw/zinc/22/32/07/498223207.db2.gz UOIFRHUKCXFMMR-UHFFFAOYSA-N 0 3 367.833 3.487 20 30 FGEDHN CN1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301685176 498223335 /nfs/dbraw/zinc/22/33/35/498223335.db2.gz WQIRPOMCPOUIFR-UKRRQHHQSA-N 0 3 357.439 3.418 20 30 FGEDHN CC(C)N(C[C@H](C)O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000330974621 498227652 /nfs/dbraw/zinc/22/76/52/498227652.db2.gz HBJUBAZHGOIHCP-YQQAZPJKSA-N 0 3 353.532 3.136 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000572574729 506000862 /nfs/dbraw/zinc/00/08/62/506000862.db2.gz KOBZUUCXXGKYAB-SJORKVTESA-N 0 3 365.399 3.469 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000296933624 498256769 /nfs/dbraw/zinc/25/67/69/498256769.db2.gz OZTQBUKCDKKXFR-OAHLLOKOSA-N 0 3 350.532 3.232 20 30 FGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000331295897 498294974 /nfs/dbraw/zinc/29/49/74/498294974.db2.gz AELKIUMPLSQBIQ-NSHDSACASA-N 0 3 364.437 3.286 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000578766062 506016057 /nfs/dbraw/zinc/01/60/57/506016057.db2.gz BWXGDFIXVQKEEW-KEYYUXOJSA-N 0 3 361.467 3.169 20 30 FGEDHN CC(C)Oc1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000581566993 506017086 /nfs/dbraw/zinc/01/70/86/506017086.db2.gz GNFDSUYWLFQQRU-LJQANCHMSA-N 0 3 354.450 3.069 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1ccco1 ZINC000572656169 506022252 /nfs/dbraw/zinc/02/22/52/506022252.db2.gz SRXIMQYTCWQBTR-XJKSGUPXSA-N 0 3 356.426 3.411 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000575938204 506037076 /nfs/dbraw/zinc/03/70/76/506037076.db2.gz HZNBDFRGGMGTPN-HXUWFJFHSA-N 0 3 362.477 3.465 20 30 FGEDHN CN1CC[C@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@@H]1c1cccs1 ZINC000362063326 498460387 /nfs/dbraw/zinc/46/03/87/498460387.db2.gz FOWZXAAMNJCHIF-OXQOHEQNSA-N 0 3 369.490 3.002 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000365489877 498494806 /nfs/dbraw/zinc/49/48/06/498494806.db2.gz GHWHJNCHQVJHGN-ICSRJNTNSA-N 0 3 365.481 3.397 20 30 FGEDHN N#Cc1ncc(NC(=O)NCC2CCN(c3ccncc3)CC2)cc1Cl ZINC000575964507 506043877 /nfs/dbraw/zinc/04/38/77/506043877.db2.gz WCHXUQBRKIAHCL-UHFFFAOYSA-N 0 3 370.844 3.040 20 30 FGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000286951149 498565892 /nfs/dbraw/zinc/56/58/92/498565892.db2.gz JJTFBTRDBJGTGP-GXTWGEPZSA-N 0 3 364.396 3.250 20 30 FGEDHN N#Cc1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000302770064 498566114 /nfs/dbraw/zinc/56/61/14/498566114.db2.gz BSLWZABMPHHVIJ-SFHVURJKSA-N 0 3 366.421 3.169 20 30 FGEDHN N#Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1Br ZINC000287104951 498630260 /nfs/dbraw/zinc/63/02/60/498630260.db2.gz DXMOBZRRZRHUEZ-UHFFFAOYSA-N 0 3 363.259 3.069 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCCC(C)(C)C2)cc1 ZINC000332348254 498658500 /nfs/dbraw/zinc/65/85/00/498658500.db2.gz UXEIJILWESSULU-CQSZACIVSA-N 0 3 363.483 3.416 20 30 FGEDHN C=CCCCCCN1CCCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000365864603 498675765 /nfs/dbraw/zinc/67/57/65/498675765.db2.gz TZZIHQBKHRNGHE-KRWDZBQOSA-N 0 3 350.507 3.421 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H]3CCCCN3C[C@H]2C)c1C ZINC000332517548 498710181 /nfs/dbraw/zinc/71/01/81/498710181.db2.gz XSODXAXYTLUDQV-UYAOXDASSA-N 0 3 368.525 3.109 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc(OC)c1O ZINC000294666807 498767357 /nfs/dbraw/zinc/76/73/57/498767357.db2.gz AORFYYXKZQIIMP-HNNXBMFYSA-N 0 3 360.498 3.243 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(O)c1 ZINC000298465690 498779682 /nfs/dbraw/zinc/77/96/82/498779682.db2.gz IIUXREWJUBEXMO-GFCCVEGCSA-N 0 3 355.463 3.493 20 30 FGEDHN COCCOc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1OC ZINC000298592793 498823532 /nfs/dbraw/zinc/82/35/32/498823532.db2.gz ZVNBTNVQFFJNFI-MRXNPFEDSA-N 0 3 370.449 3.474 20 30 FGEDHN CCc1ccc([C@@H](C#N)NC(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000366216597 498827703 /nfs/dbraw/zinc/82/77/03/498827703.db2.gz LBNGYWFCMGLVCK-OAQYLSRUSA-N 0 3 362.477 3.237 20 30 FGEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328642390 498886710 /nfs/dbraw/zinc/88/67/10/498886710.db2.gz DUOUWIJIEHGFEZ-DLBZAZTESA-N 0 3 370.501 3.079 20 30 FGEDHN O=C(NCc1ccccc1)C1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000328715486 498911064 /nfs/dbraw/zinc/91/10/64/498911064.db2.gz SVKDYIINSYAMIF-UHFFFAOYSA-N 0 3 369.509 3.256 20 30 FGEDHN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCN(CC2CCCCC2)CC1 ZINC000328715893 498913213 /nfs/dbraw/zinc/91/32/13/498913213.db2.gz TUORNIFANWHJRF-QGZVFWFLSA-N 0 3 362.518 3.140 20 30 FGEDHN C[C@@](O)(CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000328746315 498924260 /nfs/dbraw/zinc/92/42/60/498924260.db2.gz AMFDNDVGNOIJCT-LJQANCHMSA-N 0 3 352.519 3.308 20 30 FGEDHN C=CCn1cccc1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000582023087 506114797 /nfs/dbraw/zinc/11/47/97/506114797.db2.gz SBTCUHVHDQZLDV-FQEVSTJZSA-N 0 3 355.482 3.494 20 30 FGEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000328827214 498952995 /nfs/dbraw/zinc/95/29/95/498952995.db2.gz IHTAQBGMTGOHMA-NALNUFGESA-N 0 3 357.454 3.342 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328833317 498956045 /nfs/dbraw/zinc/95/60/45/498956045.db2.gz RSYZTSBXFLFWCQ-YYQUZTFQSA-N 0 3 352.862 3.178 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ncnc4c3CCCCC4)CC2)cc1 ZINC000333300570 498971739 /nfs/dbraw/zinc/97/17/39/498971739.db2.gz HNFLIRWRIRSRNN-UHFFFAOYSA-N 0 3 361.493 3.329 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cc(C#N)cs2)C1 ZINC000363764040 498980538 /nfs/dbraw/zinc/98/05/38/498980538.db2.gz LBRQZEDQAWUPEK-UHFFFAOYSA-N 0 3 355.463 3.001 20 30 FGEDHN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)C1 ZINC000328958060 498998605 /nfs/dbraw/zinc/99/86/05/498998605.db2.gz ZWFOVIFQBGSQLE-IPMKNSEASA-N 0 3 357.498 3.079 20 30 FGEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000329049701 499026901 /nfs/dbraw/zinc/02/69/01/499026901.db2.gz QWWRAWGKAKWOMP-NCXUSEDFSA-N 0 3 368.481 3.383 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000284187349 499066016 /nfs/dbraw/zinc/06/60/16/499066016.db2.gz UMMJMHJZWNYHEX-IBGZPJMESA-N 0 3 371.525 3.047 20 30 FGEDHN CCCCCC(=O)NC1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000299466397 499067526 /nfs/dbraw/zinc/06/75/26/499067526.db2.gz DYIZDXFVGHTYHB-UHFFFAOYSA-N 0 3 370.497 3.048 20 30 FGEDHN CCCCCC(=O)NC1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000299468090 499068051 /nfs/dbraw/zinc/06/80/51/499068051.db2.gz FLVBDKBWMYOWGI-UHFFFAOYSA-N 0 3 370.497 3.048 20 30 FGEDHN CN1CCC[C@@H]1CNC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000329246016 499083229 /nfs/dbraw/zinc/08/32/29/499083229.db2.gz QVKUDGMEKNEXKQ-MRXNPFEDSA-N 0 3 358.461 3.495 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000582091741 506131042 /nfs/dbraw/zinc/13/10/42/506131042.db2.gz IEGZHQBFNDJSPL-HNNXBMFYSA-N 0 3 368.330 3.246 20 30 FGEDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1nc(C2CCCCC2)no1 ZINC000329284615 499091805 /nfs/dbraw/zinc/09/18/05/499091805.db2.gz NXQCITNDIFHGPZ-DZKIICNBSA-N 0 3 361.490 3.118 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000329431175 499120951 /nfs/dbraw/zinc/12/09/51/499120951.db2.gz KHEARDKHSAZVTQ-SSAUXNHXSA-N 0 3 373.541 3.102 20 30 FGEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)C1 ZINC000329438733 499121932 /nfs/dbraw/zinc/12/19/32/499121932.db2.gz MMXYOPQXPDYKSD-NVXWUHKLSA-N 0 3 373.497 3.023 20 30 FGEDHN CC[C@@H]1C[C@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC(=O)N1 ZINC000329453402 499123936 /nfs/dbraw/zinc/12/39/36/499123936.db2.gz PGXBBOQJVOZOFV-RBUKOAKNSA-N 0 3 372.513 3.036 20 30 FGEDHN N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000367310783 499178959 /nfs/dbraw/zinc/17/89/59/499178959.db2.gz VLYQFOYQYJKRCR-RBUKOAKNSA-N 0 3 359.433 3.214 20 30 FGEDHN N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000367310783 499178962 /nfs/dbraw/zinc/17/89/62/499178962.db2.gz VLYQFOYQYJKRCR-RBUKOAKNSA-N 0 3 359.433 3.214 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000367310783 499178964 /nfs/dbraw/zinc/17/89/64/499178964.db2.gz VLYQFOYQYJKRCR-RBUKOAKNSA-N 0 3 359.433 3.214 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)/C=C/c1ccccc1C#N ZINC000367342869 499185188 /nfs/dbraw/zinc/18/51/88/499185188.db2.gz RYMBCUSDLNGEHZ-VOTSOKGWSA-N 0 3 360.461 3.341 20 30 FGEDHN C[C@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000367430553 499198120 /nfs/dbraw/zinc/19/81/20/499198120.db2.gz KLFFQOLUZCAZTJ-PXNSSMCTSA-N 0 3 363.461 3.083 20 30 FGEDHN C=CCNC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367461486 499201397 /nfs/dbraw/zinc/20/13/97/499201397.db2.gz ACVFPSKPWZUSLQ-KRWDZBQOSA-N 0 3 356.388 3.065 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000368172179 499271175 /nfs/dbraw/zinc/27/11/75/499271175.db2.gz ZJZHKSUNTGCKQZ-OFNKIYASSA-N 0 3 371.440 3.237 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2Cl)C12CCOCC2 ZINC000368463675 499298303 /nfs/dbraw/zinc/29/83/03/499298303.db2.gz WUPDXMCFFJDBGH-JKSUJKDBSA-N 0 3 352.837 3.415 20 30 FGEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1[C@H]1CCCO1 ZINC000368585972 499310437 /nfs/dbraw/zinc/31/04/37/499310437.db2.gz VJKUAKQGXDQBFH-QAPCUYQASA-N 0 3 373.522 3.326 20 30 FGEDHN CN1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000582136266 506142227 /nfs/dbraw/zinc/14/22/27/506142227.db2.gz GSOVEUFFRBNOQA-WOJBJXKFSA-N 0 3 360.461 3.292 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2Cn2ccnc2C(C)C)CC1 ZINC000371646713 499350155 /nfs/dbraw/zinc/35/01/55/499350155.db2.gz HDJUPCWWQIXOMB-LJQANCHMSA-N 0 3 373.545 3.221 20 30 FGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)C12CCCCC2 ZINC000573207458 506144092 /nfs/dbraw/zinc/14/40/92/506144092.db2.gz XVJINSVGTRAQMX-QZTJIDSGSA-N 0 3 353.470 3.161 20 30 FGEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000369363383 499395534 /nfs/dbraw/zinc/39/55/34/499395534.db2.gz KXXBPTYSEWJDMT-QGPMSJSTSA-N 0 3 350.890 3.430 20 30 FGEDHN Cc1nnc([C@H]2CC23CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC3)o1 ZINC000369415490 499401302 /nfs/dbraw/zinc/40/13/02/499401302.db2.gz ADDIUBWPYXTKHP-KBXCAEBGSA-N 0 3 352.438 3.439 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@H]3CCC[C@@H]31)CCC2 ZINC000369458980 499405046 /nfs/dbraw/zinc/40/50/46/499405046.db2.gz SSTSLRCFTMBJHZ-HOTGVXAUSA-N 0 3 359.495 3.080 20 30 FGEDHN CCCc1noc(-c2cccc(CNCc3cnc4ccc(C#N)cn34)c2)n1 ZINC000369481274 499407377 /nfs/dbraw/zinc/40/73/77/499407377.db2.gz YULIKYWGXBHQAG-UHFFFAOYSA-N 0 3 372.432 3.498 20 30 FGEDHN CN1CC[C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[C@H]1c1cccs1 ZINC000369565593 499418755 /nfs/dbraw/zinc/41/87/55/499418755.db2.gz ZIOFRFGNKNGQPB-JXFKEZNVSA-N 0 3 369.490 3.002 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2ccccc2OCC#N)[C@@H]1c1cccs1 ZINC000369568761 499419602 /nfs/dbraw/zinc/41/96/02/499419602.db2.gz MASJGNQUGAMXLG-KBXCAEBGSA-N 0 3 355.463 3.073 20 30 FGEDHN Cc1nc2c(s1)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000373500284 499473499 /nfs/dbraw/zinc/47/34/99/499473499.db2.gz CYAGZEWTWULRTE-WBVHZDCISA-N 0 3 350.447 3.199 20 30 FGEDHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000375363221 499510558 /nfs/dbraw/zinc/51/05/58/499510558.db2.gz UCULXEYOESQQEQ-UHFFFAOYSA-N 0 3 371.872 3.451 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000380685861 499544230 /nfs/dbraw/zinc/54/42/30/499544230.db2.gz KVXJPJXCQQAACA-RBUKOAKNSA-N 0 3 362.433 3.425 20 30 FGEDHN CC(C)N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000375689516 499545581 /nfs/dbraw/zinc/54/55/81/499545581.db2.gz HXMVCMXPUUPXRN-OAQYLSRUSA-N 0 3 372.472 3.498 20 30 FGEDHN Cc1cc(C)nc(C2CCN(CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000375699918 499546763 /nfs/dbraw/zinc/54/67/63/499546763.db2.gz CJHXHUUVJFFEPE-UHFFFAOYSA-N 0 3 369.494 3.235 20 30 FGEDHN COc1ccc([C@@H](CCC#N)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000375726506 499549324 /nfs/dbraw/zinc/54/93/24/499549324.db2.gz WQLCSWWSYKWROV-FXAWDEMLSA-N 0 3 365.481 3.336 20 30 FGEDHN COc1ccccc1O[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000375743933 499550782 /nfs/dbraw/zinc/55/07/82/499550782.db2.gz QHXHHGKGBLCNJS-MOPGFXCFSA-N 0 3 352.434 3.144 20 30 FGEDHN COc1ccccc1O[C@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000375743935 499550913 /nfs/dbraw/zinc/55/09/13/499550913.db2.gz QHXHHGKGBLCNJS-RBUKOAKNSA-N 0 3 352.434 3.144 20 30 FGEDHN C[C@@H](N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)cc1 ZINC000375781064 499555331 /nfs/dbraw/zinc/55/53/31/499555331.db2.gz TVRNMIBBSFPRLU-UZLBHIALSA-N 0 3 357.461 3.406 20 30 FGEDHN C[C@]1(CNC(=O)COc2ccccc2C#N)CCCN1Cc1ccccc1 ZINC000397978088 499565419 /nfs/dbraw/zinc/56/54/19/499565419.db2.gz GNKZXYCALLXFJE-JOCHJYFZSA-N 0 3 363.461 3.108 20 30 FGEDHN C=CCN(C(=O)N[C@@H]1CCC[C@H]1CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000376233049 499593048 /nfs/dbraw/zinc/59/30/48/499593048.db2.gz RLHLUNHISRVRMS-PCCBWWKXSA-N 0 3 371.525 3.010 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC3(CCC3)C2)cc1 ZINC000376585596 499620625 /nfs/dbraw/zinc/62/06/25/499620625.db2.gz CSEWNEHFENABBE-AWEZNQCLSA-N 0 3 361.467 3.170 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2ccc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000376738421 499633272 /nfs/dbraw/zinc/63/32/72/499633272.db2.gz FBUAOBPFZPUYKX-GHTZIAJQSA-N 0 3 369.488 3.336 20 30 FGEDHN C=CCN(C(=O)CCc1cscn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377571484 499705903 /nfs/dbraw/zinc/70/59/03/499705903.db2.gz DFAMCBQBBAKIFY-LJQANCHMSA-N 0 3 355.507 3.365 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377732554 499725894 /nfs/dbraw/zinc/72/58/94/499725894.db2.gz MSRNIJPBBKYMFR-HXUWFJFHSA-N 0 3 367.474 3.418 20 30 FGEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000377937615 499749703 /nfs/dbraw/zinc/74/97/03/499749703.db2.gz KIAHFORBHJKODY-RXVVDRJESA-N 0 3 352.503 3.471 20 30 FGEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411643615 499772525 /nfs/dbraw/zinc/77/25/25/499772525.db2.gz PKPXLJUJWUWATK-FQEVSTJZSA-N 0 3 351.450 3.236 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCSC4(CCC4)CC3)C2=O)cc1 ZINC000411873522 499798445 /nfs/dbraw/zinc/79/84/45/499798445.db2.gz YGQKZDQWHZCVDC-SFHVURJKSA-N 0 3 355.507 3.415 20 30 FGEDHN CO[C@@](C)([C@@H](C)NCC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000411946835 499805541 /nfs/dbraw/zinc/80/55/41/499805541.db2.gz LWGJVRICDJHVOF-KUHUBIRLSA-N 0 3 363.889 3.380 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](O)C[C@H]1c1ccccc1)C(C)C ZINC000413105643 499914724 /nfs/dbraw/zinc/91/47/24/499914724.db2.gz AEGHITTWAYWZJD-QHAWAJNXSA-N 0 3 371.525 3.203 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(OC)c(Cl)c2)CC1 ZINC000413243153 499931654 /nfs/dbraw/zinc/93/16/54/499931654.db2.gz PRMGPUKGPXSVGB-UHFFFAOYSA-N 0 3 351.878 3.140 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000413257166 499933307 /nfs/dbraw/zinc/93/33/07/499933307.db2.gz CHKVHDLLLHIFCB-FCHUYYIVSA-N 0 3 372.472 3.124 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000570445026 506169030 /nfs/dbraw/zinc/16/90/30/506169030.db2.gz UGGOFQNDJOVZLK-IEBWSBKVSA-N 0 3 372.465 3.397 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](NCc3ccc(C#N)c(F)c3)C2)c1 ZINC000421362514 500027311 /nfs/dbraw/zinc/02/73/11/500027311.db2.gz JGAWJCMLOGQDRP-INIZCTEOSA-N 0 3 355.413 3.083 20 30 FGEDHN C=CCn1c(COCC)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000582269512 506172400 /nfs/dbraw/zinc/17/24/00/506172400.db2.gz JUVYQRFPLFNXML-LJQANCHMSA-N 0 3 369.513 3.101 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000425225856 500048941 /nfs/dbraw/zinc/04/89/41/500048941.db2.gz PPRXLVNSLCKEPK-HNNXBMFYSA-N 0 3 357.479 3.002 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000425253731 500057931 /nfs/dbraw/zinc/05/79/31/500057931.db2.gz DBZQITPQWIYKPN-GOSISDBHSA-N 0 3 366.421 3.169 20 30 FGEDHN C=CCOc1ccccc1C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000413953211 500106357 /nfs/dbraw/zinc/10/63/57/500106357.db2.gz JUXRUESNZAENSA-UHFFFAOYSA-N 0 3 370.449 3.453 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414040365 500134704 /nfs/dbraw/zinc/13/47/04/500134704.db2.gz LYWQQGBSIGRNKU-HKUYNNGSSA-N 0 3 351.425 3.293 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2coc(-c3c(F)cccc3F)n2)CC1 ZINC000421770695 500146311 /nfs/dbraw/zinc/14/63/11/500146311.db2.gz VFOWRMGLSSDIBN-UHFFFAOYSA-N 0 3 361.392 3.390 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@H](O)CC)cc1OCC ZINC000422093824 500214092 /nfs/dbraw/zinc/21/40/92/500214092.db2.gz ZBXNFPGGZJJGMM-CYBMUJFWSA-N 0 3 358.276 3.273 20 30 FGEDHN CC(C)(CNCc1ccc(C#N)cc1C(F)(F)F)C1(O)CCOCC1 ZINC000418142458 500236596 /nfs/dbraw/zinc/23/65/96/500236596.db2.gz ZFZYNYHAZZEESF-UHFFFAOYSA-N 0 3 356.388 3.234 20 30 FGEDHN N#CC1CCC(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418176354 500242887 /nfs/dbraw/zinc/24/28/87/500242887.db2.gz UJVVZCUBXWOZQK-PMTKGXAQSA-N 0 3 350.466 3.469 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)C(C)C ZINC000430898938 500303773 /nfs/dbraw/zinc/30/37/73/500303773.db2.gz GBLGBKYUOREEKE-UXHICEINSA-N 0 3 367.493 3.074 20 30 FGEDHN C[C@@H](C#N)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000426777575 500318781 /nfs/dbraw/zinc/31/87/81/500318781.db2.gz ONZNNCYOROLOPN-ZDUSSCGKSA-N 0 3 364.287 3.032 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000426830439 500326389 /nfs/dbraw/zinc/32/63/89/500326389.db2.gz YBJATFIMFMWUNY-QZTJIDSGSA-N 0 3 355.482 3.454 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000427034903 500347220 /nfs/dbraw/zinc/34/72/20/500347220.db2.gz QHUJRDQSQDZRCE-RTWAWAEBSA-N 0 3 359.473 3.423 20 30 FGEDHN Cc1ncccc1OC[C@@H]1CCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000419402875 500361813 /nfs/dbraw/zinc/36/18/13/500361813.db2.gz RATJALYLDQFXHC-IBGZPJMESA-N 0 3 364.449 3.134 20 30 FGEDHN C=CCOc1ccc(C(=O)NC[C@@H](N)c2ccccc2CC)cc1OC ZINC000423984631 500430572 /nfs/dbraw/zinc/43/05/72/500430572.db2.gz UKMKLAAQQUYZLP-GOSISDBHSA-N 0 3 354.450 3.252 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000424068920 500446715 /nfs/dbraw/zinc/44/67/15/500446715.db2.gz OHSGBMCTWARQEB-CYBMUJFWSA-N 0 3 354.435 3.194 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000424092440 500451794 /nfs/dbraw/zinc/45/17/94/500451794.db2.gz PBFAFJJVLYFTHI-HOTGVXAUSA-N 0 3 364.287 3.428 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000424104775 500453935 /nfs/dbraw/zinc/45/39/35/500453935.db2.gz UKEBPCPKFRTQJE-HUUCEWRRSA-N 0 3 350.260 3.134 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000424112154 500455001 /nfs/dbraw/zinc/45/50/01/500455001.db2.gz IYBSJOUGGKUNKQ-FQEVSTJZSA-N 0 3 363.461 3.316 20 30 FGEDHN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@H](N)CCCC#N ZINC000424110058 500455395 /nfs/dbraw/zinc/45/53/95/500455395.db2.gz CNQLGCMMDQIKOL-MSOLQXFVSA-N 0 3 351.454 3.077 20 30 FGEDHN CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Cc1cccc(Br)c1 ZINC000424118732 500457096 /nfs/dbraw/zinc/45/70/96/500457096.db2.gz DTOAMKPHNZQIQA-CZUORRHYSA-N 0 3 366.303 3.155 20 30 FGEDHN CC[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1C(F)(F)F ZINC000424156116 500461380 /nfs/dbraw/zinc/46/13/80/500461380.db2.gz QIAYOXQLRDRQKK-TZMCWYRMSA-N 0 3 357.376 3.000 20 30 FGEDHN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424173185 500463364 /nfs/dbraw/zinc/46/33/64/500463364.db2.gz NUQWOVVHMSLRJP-ZDUSSCGKSA-N 0 3 358.667 3.082 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000424183334 500465067 /nfs/dbraw/zinc/46/50/67/500465067.db2.gz BLBZZKYZUWVSSQ-AWEZNQCLSA-N 0 3 357.351 3.013 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@@H]1CCCN1C ZINC000421016509 500555105 /nfs/dbraw/zinc/55/51/05/500555105.db2.gz YFAOCCFCWBBGSG-HOTGVXAUSA-N 0 3 360.527 3.045 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421084030 500570607 /nfs/dbraw/zinc/57/06/07/500570607.db2.gz ONCXBCDNAOZIBY-IBGZPJMESA-N 0 3 370.497 3.059 20 30 FGEDHN COC(=O)c1sccc1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433016067 500607328 /nfs/dbraw/zinc/60/73/28/500607328.db2.gz NHIKNMNENFBJSG-OAHLLOKOSA-N 0 3 371.462 3.498 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000433013580 500607366 /nfs/dbraw/zinc/60/73/66/500607366.db2.gz YAVUTRPRHJXPOY-VQTJNVASSA-N 0 3 363.461 3.131 20 30 FGEDHN CC[C@H](N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447576461 500628472 /nfs/dbraw/zinc/62/84/72/500628472.db2.gz YNWOPDLNRPQRIC-CTNGQTDRSA-N 0 3 363.461 3.279 20 30 FGEDHN COc1cc(CN2CC[C@H](C)[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000442893240 500642027 /nfs/dbraw/zinc/64/20/27/500642027.db2.gz XBZKCENVMMPFJV-OXJNMPFZSA-N 0 3 366.461 3.349 20 30 FGEDHN COCCN1CCC(Nc2c(C#N)cnc3ccc(C(C)C)cc32)CC1 ZINC000447681125 500644401 /nfs/dbraw/zinc/64/44/01/500644401.db2.gz WJXCGRNKLKHOAA-UHFFFAOYSA-N 0 3 352.482 3.174 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000433322285 500671708 /nfs/dbraw/zinc/67/17/08/500671708.db2.gz ZSOCRSDUTZFSGM-HNNXBMFYSA-N 0 3 355.825 3.167 20 30 FGEDHN CC(=O)Nc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433325705 500672323 /nfs/dbraw/zinc/67/23/23/500672323.db2.gz KLXDPFVNJZPTKD-UHFFFAOYSA-N 0 3 374.448 3.107 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000437656189 500677170 /nfs/dbraw/zinc/67/71/70/500677170.db2.gz HXNAAEBMZKBGGE-AABGKKOBSA-N 0 3 357.498 3.104 20 30 FGEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443090935 500678179 /nfs/dbraw/zinc/67/81/79/500678179.db2.gz CVIFJJCVUUIARC-UHFFFAOYSA-N 0 3 371.934 3.200 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000433372230 500683518 /nfs/dbraw/zinc/68/35/18/500683518.db2.gz OEPSYZOSIUHGHO-SJORKVTESA-N 0 3 369.415 3.432 20 30 FGEDHN C[C@H](O)C[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433383282 500685126 /nfs/dbraw/zinc/68/51/26/500685126.db2.gz HDTRUBVUXINBPO-IOMROCGXSA-N 0 3 350.462 3.430 20 30 FGEDHN C=CCC[C@@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1ccccc1 ZINC000433404380 500687932 /nfs/dbraw/zinc/68/79/32/500687932.db2.gz WTFXVJQMDSWJOM-AZUAARDMSA-N 0 3 359.514 3.494 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000438195281 500753463 /nfs/dbraw/zinc/75/34/63/500753463.db2.gz BORAGRSKZILECQ-ZCNNSNEGSA-N 0 3 359.514 3.132 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000438203730 500754420 /nfs/dbraw/zinc/75/44/20/500754420.db2.gz TWEFHNAODVPXQK-JZXOWHBKSA-N 0 3 363.527 3.165 20 30 FGEDHN Cc1cc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000443985303 500787202 /nfs/dbraw/zinc/78/72/02/500787202.db2.gz ZEYGFJNJFZUBOH-KRWDZBQOSA-N 0 3 364.367 3.415 20 30 FGEDHN COc1cc(CN2CC[C@@H](NCc3ccc(C#N)c(C)c3)C2)cc(OC)c1 ZINC000443993627 500788491 /nfs/dbraw/zinc/78/84/91/500788491.db2.gz MLBCRAXCDVNMCA-HXUWFJFHSA-N 0 3 365.477 3.248 20 30 FGEDHN CN(C)C1(CN(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCC1 ZINC000438570774 500802999 /nfs/dbraw/zinc/80/29/99/500802999.db2.gz XOYHKAJAYLYYLU-UHFFFAOYSA-N 0 3 364.449 3.302 20 30 FGEDHN C=CC1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438855401 500827876 /nfs/dbraw/zinc/82/78/76/500827876.db2.gz ZSXKECMAYLHPLU-OAHLLOKOSA-N 0 3 358.251 3.226 20 30 FGEDHN C=CCOc1ccc(CN(C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C)cc1 ZINC000434470313 500848897 /nfs/dbraw/zinc/84/88/97/500848897.db2.gz MYVALYJUNBHAHB-KRWDZBQOSA-N 0 3 351.512 3.287 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N3CCN(C4CCCC4)CC3)c2c1 ZINC000439106064 500857214 /nfs/dbraw/zinc/85/72/14/500857214.db2.gz KVDWHKFIBXXIRB-UHFFFAOYSA-N 0 3 366.465 3.188 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448924840 500870983 /nfs/dbraw/zinc/87/09/83/500870983.db2.gz ZXMVNLWSCMZEAZ-UHFFFAOYSA-N 0 3 365.315 3.457 20 30 FGEDHN N#CC(C(=O)c1cnnn1-c1cccc(F)c1)c1nccc2ccccc21 ZINC000434645985 500872402 /nfs/dbraw/zinc/87/24/02/500872402.db2.gz OBVTZFVRFSZRJC-KRWDZBQOSA-N 0 3 357.348 3.445 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000439610604 500918354 /nfs/dbraw/zinc/91/83/54/500918354.db2.gz BSTYDYHZJNPPNA-HPBDAGMYSA-N 0 3 362.539 3.444 20 30 FGEDHN CCCCn1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C ZINC000435004216 500921326 /nfs/dbraw/zinc/92/13/26/500921326.db2.gz ISGKDPXLPUDJMR-UHFFFAOYSA-N 0 3 367.497 3.067 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc(CNC2CCC(C)(C#N)CC2)s1 ZINC000449098783 500925052 /nfs/dbraw/zinc/92/50/52/500925052.db2.gz KWZIWZVIAYKMDN-UHFFFAOYSA-N 0 3 369.556 3.341 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CCO)C2CCC2)cc1OC ZINC000439794235 500939351 /nfs/dbraw/zinc/93/93/51/500939351.db2.gz QNZWAPZHTVKFER-UHFFFAOYSA-N 0 3 370.287 3.369 20 30 FGEDHN CC1(C#N)CCC(NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000449228091 500952574 /nfs/dbraw/zinc/95/25/74/500952574.db2.gz SBUPHPVUEYIEMJ-UHFFFAOYSA-N 0 3 350.260 3.450 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)C(C)C ZINC000440216504 500987967 /nfs/dbraw/zinc/98/79/67/500987967.db2.gz OZTBIGCHINVUMK-VAMGGRTRSA-N 0 3 363.546 3.143 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000449519042 501023347 /nfs/dbraw/zinc/02/33/47/501023347.db2.gz KZBHZHSQQSSLBR-MSOLQXFVSA-N 0 3 358.438 3.312 20 30 FGEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000441257830 501109888 /nfs/dbraw/zinc/10/98/88/501109888.db2.gz PICXGPGBYLSMOU-ROUUACIJSA-N 0 3 363.889 3.442 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1c[nH]nc1-c1nccs1)C(C)C ZINC000446381497 501113521 /nfs/dbraw/zinc/11/35/21/501113521.db2.gz AGJJCIYXWSCRQU-OAHLLOKOSA-N 0 3 374.514 3.353 20 30 FGEDHN N#Cc1c(C#N)c(N2CCc3nccc(N)c3C2)nc2c1CCCCCC2 ZINC000598941346 506236899 /nfs/dbraw/zinc/23/68/99/506236899.db2.gz CJMUJDQYEARHEN-UHFFFAOYSA-N 0 3 358.449 3.024 20 30 FGEDHN Cc1cc(Cl)c2ncc(C#N)c(NC[C@H]3CCCN3CCCO)c2c1 ZINC000450590380 501162163 /nfs/dbraw/zinc/16/21/63/501162163.db2.gz DPAYYWOUDCGDOW-OAHLLOKOSA-N 0 3 358.873 3.327 20 30 FGEDHN Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H]3CCCN3CCCO)c2c1 ZINC000450590379 501162433 /nfs/dbraw/zinc/16/24/33/501162433.db2.gz DPAYYWOUDCGDOW-HNNXBMFYSA-N 0 3 358.873 3.327 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000457660047 501280192 /nfs/dbraw/zinc/28/01/92/501280192.db2.gz LZVLKKJDGNHXML-IBGZPJMESA-N 0 3 368.506 3.382 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000455361312 501281796 /nfs/dbraw/zinc/28/17/96/501281796.db2.gz UZZQKDSFGSCFMW-MOPGFXCFSA-N 0 3 363.546 3.334 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2C[C@@](C)(OC)C2(C)C)cc1 ZINC000451488156 501304425 /nfs/dbraw/zinc/30/44/25/501304425.db2.gz MAAQFYBCPXPBPW-GHTZIAJQSA-N 0 3 373.497 3.125 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451503630 501308286 /nfs/dbraw/zinc/30/82/86/501308286.db2.gz QZFPGMXBKKANIX-UEXGIBASSA-N 0 3 357.498 3.014 20 30 FGEDHN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453424887 501328804 /nfs/dbraw/zinc/32/88/04/501328804.db2.gz KXBODAJFYNHPKO-MRXNPFEDSA-N 0 3 357.477 3.115 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453426056 501329299 /nfs/dbraw/zinc/32/92/99/501329299.db2.gz PWWAWLRRMOLFKD-SFHVURJKSA-N 0 3 369.513 3.270 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N1CCCN(C(C)C)CC1 ZINC000453428898 501330333 /nfs/dbraw/zinc/33/03/33/501330333.db2.gz ATSNVQBYZABEOI-UHFFFAOYSA-N 0 3 373.476 3.103 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455552589 501332096 /nfs/dbraw/zinc/33/20/96/501332096.db2.gz YSWOVADNFKUIMH-UHFFFAOYSA-N 0 3 368.456 3.491 20 30 FGEDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451629865 501339499 /nfs/dbraw/zinc/33/94/99/501339499.db2.gz IAGDAGIUPYUYNT-APHBMKBZSA-N 0 3 361.511 3.373 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000451677855 501348975 /nfs/dbraw/zinc/34/89/75/501348975.db2.gz VSTJSRUTSPDLBS-DYXWJJEUSA-N 0 3 360.473 3.496 20 30 FGEDHN CC(C)(CC#N)CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000457984604 501350640 /nfs/dbraw/zinc/35/06/40/501350640.db2.gz DGNUJNICWKAIJG-GOSISDBHSA-N 0 3 367.415 3.497 20 30 FGEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc(C#N)c1Br ZINC000451764797 501367869 /nfs/dbraw/zinc/36/78/69/501367869.db2.gz WDEPYWWVGAASIJ-DOMZBBRYSA-N 0 3 362.271 3.020 20 30 FGEDHN C[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H](c1ccccc1)N(C)C ZINC000455769346 501382747 /nfs/dbraw/zinc/38/27/47/501382747.db2.gz XBSUHZBGSGGGQQ-SJCJKPOMSA-N 0 3 357.845 3.420 20 30 FGEDHN C=CCC1(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CCCC1 ZINC000453965879 501434184 /nfs/dbraw/zinc/43/41/84/501434184.db2.gz ANJVJRSADJHUAP-UHFFFAOYSA-N 0 3 357.498 3.248 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)NCc2ccc(OCCN(C)C)cc2)c1 ZINC000456000946 501434990 /nfs/dbraw/zinc/43/49/90/501434990.db2.gz LLPIOPONXFXDES-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)NCc2cccc(OCCN(C)C)c2)c1 ZINC000456000931 501435092 /nfs/dbraw/zinc/43/50/92/501435092.db2.gz LHLBNWLBUXDLLL-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN C[C@H]1C[C@H]1N1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000456061775 501446621 /nfs/dbraw/zinc/44/66/21/501446621.db2.gz KOGBGYYJFYTTKH-ABSDTBQOSA-N 0 3 353.510 3.316 20 30 FGEDHN CCCOc1c(OC)cc(CCNCc2cccc(C#N)n2)cc1OC ZINC000602674987 506257011 /nfs/dbraw/zinc/25/70/11/506257011.db2.gz JGSGCVXOASUHTF-UHFFFAOYSA-N 0 3 355.438 3.092 20 30 FGEDHN C=CCC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)OCC ZINC000456614752 501559080 /nfs/dbraw/zinc/55/90/80/501559080.db2.gz VHGSKWFQIYTXJF-IBGZPJMESA-N 0 3 358.482 3.300 20 30 FGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000458934900 501561932 /nfs/dbraw/zinc/56/19/32/501561932.db2.gz KJKWVVBAJAHZTN-IBGZPJMESA-N 0 3 354.498 3.357 20 30 FGEDHN COc1cc(F)cc(C[C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000457050885 501641012 /nfs/dbraw/zinc/64/10/12/501641012.db2.gz ADLCZPLUGGFPEK-KSSFIOAISA-N 0 3 365.408 3.136 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454896797 501651547 /nfs/dbraw/zinc/65/15/47/501651547.db2.gz JAZFLCUBLMXBOO-GIVPXCGWSA-N 0 3 371.525 3.131 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000459455941 501657237 /nfs/dbraw/zinc/65/72/37/501657237.db2.gz FHYVNZNJFPSGLT-IYBDPMFKSA-N 0 3 362.905 3.001 20 30 FGEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000457243497 501671219 /nfs/dbraw/zinc/67/12/19/501671219.db2.gz UTEMADUBACUBCH-UTKZUKDTSA-N 0 3 356.466 3.339 20 30 FGEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC000459779874 501713292 /nfs/dbraw/zinc/71/32/92/501713292.db2.gz XAAOTMUMCCPASO-YSIASYRMSA-N 0 3 369.509 3.486 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000457520718 501715782 /nfs/dbraw/zinc/71/57/82/501715782.db2.gz SAWJQGSPCWMGOK-OALUTQOASA-N 0 3 362.539 3.448 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000588339611 506272772 /nfs/dbraw/zinc/27/27/72/506272772.db2.gz HUIFBGUMUXNUSC-YWZLYKJASA-N 0 3 366.440 3.160 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3CCN(c4ccc(Cl)cc4F)C3)n2c1 ZINC000599008812 506274555 /nfs/dbraw/zinc/27/45/55/506274555.db2.gz IHLWXAQXOXGBMJ-OAHLLOKOSA-N 0 3 369.831 3.367 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460391078 501812631 /nfs/dbraw/zinc/81/26/31/501812631.db2.gz UPTHXKSVFMBSFI-IAGOWNOFSA-N 0 3 354.502 3.144 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000470943897 501863901 /nfs/dbraw/zinc/86/39/01/501863901.db2.gz FGAARTFYTRJAIN-RKVPGOIHSA-N 0 3 351.356 3.191 20 30 FGEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN(CC2CCOCC2)CC1 ZINC000467770320 501867004 /nfs/dbraw/zinc/86/70/04/501867004.db2.gz LREPEGOUOOMGTL-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460589257 501869518 /nfs/dbraw/zinc/86/95/18/501869518.db2.gz ZPHUQHZBGZTNMH-SJORKVTESA-N 0 3 354.502 3.144 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2coc(-c3ccccc3)n2)cc1 ZINC000470969760 501876162 /nfs/dbraw/zinc/87/61/62/501876162.db2.gz UEDYJOPQYRSSJB-SFHVURJKSA-N 0 3 356.385 3.212 20 30 FGEDHN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471059387 501905116 /nfs/dbraw/zinc/90/51/16/501905116.db2.gz NGSIOWFZKRYNAW-LJQANCHMSA-N 0 3 369.428 3.289 20 30 FGEDHN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cccc(C#N)c1 ZINC000485726968 501916803 /nfs/dbraw/zinc/91/68/03/501916803.db2.gz IOEBOZICRFJTQL-MRXNPFEDSA-N 0 3 369.490 3.291 20 30 FGEDHN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460777704 501919332 /nfs/dbraw/zinc/91/93/32/501919332.db2.gz NARDEQWBVOBQMF-LJQANCHMSA-N 0 3 369.488 3.257 20 30 FGEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)NCc1cccs1 ZINC000592866781 506281638 /nfs/dbraw/zinc/28/16/38/506281638.db2.gz IEQOBJNCSKAKOJ-FUHWJXTLSA-N 0 3 369.490 3.032 20 30 FGEDHN Cn1cc(CNCCSCC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000478300015 501935470 /nfs/dbraw/zinc/93/54/70/501935470.db2.gz SMDAGIJAKOMJDD-UHFFFAOYSA-N 0 3 354.401 3.344 20 30 FGEDHN CN(C)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1ccccc1 ZINC000468505797 502084684 /nfs/dbraw/zinc/08/46/84/502084684.db2.gz HBVYWPXAZIGJSD-IBGZPJMESA-N 0 3 374.444 3.116 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000475272161 502113642 /nfs/dbraw/zinc/11/36/42/502113642.db2.gz XPEUOLDMEOVHGQ-RDJZCZTQSA-N 0 3 357.498 3.076 20 30 FGEDHN Cc1ccc2c(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)c[nH]c2c1 ZINC000471954736 502182826 /nfs/dbraw/zinc/18/28/26/502182826.db2.gz PSIXDTVDWQCBTN-LJQANCHMSA-N 0 3 356.429 3.389 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000472001257 502196497 /nfs/dbraw/zinc/19/64/97/502196497.db2.gz XHPMNOHACKTYSQ-FQEVSTJZSA-N 0 3 372.557 3.048 20 30 FGEDHN Cc1nc(C)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000465244736 502224937 /nfs/dbraw/zinc/22/49/37/502224937.db2.gz NOWVLBCRWLQLCD-UHFFFAOYSA-N 0 3 357.483 3.227 20 30 FGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468925025 502232632 /nfs/dbraw/zinc/23/26/32/502232632.db2.gz JXCOZDFYPDBIQX-XHSDSOJGSA-N 0 3 366.465 3.309 20 30 FGEDHN CC(C#N)C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000468975428 502249613 /nfs/dbraw/zinc/24/96/13/502249613.db2.gz PFAIYRCIZOBFSK-KZULUSFZSA-N 0 3 356.809 3.476 20 30 FGEDHN COc1cc(CN2CC[C@@H](OC)C2)ccc1OCc1cccc(C#N)c1 ZINC000483039777 502253715 /nfs/dbraw/zinc/25/37/15/502253715.db2.gz YEGSSKMFJIAOJQ-LJQANCHMSA-N 0 3 352.434 3.367 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000472174592 502257981 /nfs/dbraw/zinc/25/79/81/502257981.db2.gz QZARZRFAOUZKAK-IBGZPJMESA-N 0 3 359.514 3.275 20 30 FGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000602798896 506303674 /nfs/dbraw/zinc/30/36/74/506303674.db2.gz HDYFZHKKINNNQZ-GOSISDBHSA-N 0 3 355.482 3.422 20 30 FGEDHN COc1ccc(NC(=O)C2(NCC3(CC#N)CC3)CCCC2)cc1OC ZINC000602799635 506303959 /nfs/dbraw/zinc/30/39/59/506303959.db2.gz ZXZJFOPWUUKARW-UHFFFAOYSA-N 0 3 357.454 3.239 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000472308873 502308887 /nfs/dbraw/zinc/30/88/87/502308887.db2.gz BDQVSOAHWHHQIG-APWZRJJASA-N 0 3 350.422 3.134 20 30 FGEDHN CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CCN(C2CC2)C1 ZINC000469389278 502396371 /nfs/dbraw/zinc/39/63/71/502396371.db2.gz UGHUZMXBJQZVMG-KRWDZBQOSA-N 0 3 350.466 3.254 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476243778 502426582 /nfs/dbraw/zinc/42/65/82/502426582.db2.gz DRZIIZNZGAQZIY-LJQANCHMSA-N 0 3 357.498 3.080 20 30 FGEDHN C[C@@H]1CN(CCCCNC(=O)C[C@H](CC#N)c2ccccc2)C[C@H](C)O1 ZINC000476306713 502449932 /nfs/dbraw/zinc/44/99/32/502449932.db2.gz RTOSYTSCVOYBQW-NSHGMRRFSA-N 0 3 357.498 3.080 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000462490514 502461273 /nfs/dbraw/zinc/46/12/73/502461273.db2.gz NXAMTDCGVRVHTI-QGZVFWFLSA-N 0 3 362.477 3.442 20 30 FGEDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000483692893 502466020 /nfs/dbraw/zinc/46/60/20/502466020.db2.gz NJCGKDKCZRSYLJ-MISYRCLQSA-N 0 3 357.498 3.486 20 30 FGEDHN C[C@@]1(NCCS(=O)(=O)c2ccc(C#N)cc2)CCCc2ccccc21 ZINC000483776078 502490026 /nfs/dbraw/zinc/49/00/26/502490026.db2.gz RPZKWPRIZZLYSS-HXUWFJFHSA-N 0 3 354.475 3.173 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C)(OCC)CC1)C(C)C ZINC000487832955 502542382 /nfs/dbraw/zinc/54/23/82/502542382.db2.gz IHFSWHDKRYLWPL-SFHVURJKSA-N 0 3 351.535 3.286 20 30 FGEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000480362952 502546912 /nfs/dbraw/zinc/54/69/12/502546912.db2.gz JIYIGMGRZCONLX-HNNXBMFYSA-N 0 3 359.433 3.395 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1c1cc[nH]n1)C(C)C ZINC000480525294 502592017 /nfs/dbraw/zinc/59/20/17/502592017.db2.gz ZJUUAQSYDXHACG-RTBURBONSA-N 0 3 359.518 3.345 20 30 FGEDHN C=CCOCCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000473503274 502613714 /nfs/dbraw/zinc/61/37/14/502613714.db2.gz MRDRTHXXTCMSPP-QFIPXVFZSA-N 0 3 356.510 3.484 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NCCCCN3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000488119956 502632644 /nfs/dbraw/zinc/63/26/44/502632644.db2.gz VBDRXQQNTXMSTK-CALCHBBNSA-N 0 3 352.482 3.138 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1)C(C)C ZINC000470037023 502637035 /nfs/dbraw/zinc/63/70/35/502637035.db2.gz XFDGGNWPIGRMFV-HSALFYBXSA-N 0 3 373.545 3.365 20 30 FGEDHN C=CCCCCNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000477122429 502683655 /nfs/dbraw/zinc/68/36/55/502683655.db2.gz IAPCGXABEVUGQS-FQEVSTJZSA-N 0 3 371.525 3.048 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000467036434 502765935 /nfs/dbraw/zinc/76/59/35/502765935.db2.gz SCSUTWPRAJEBQP-MLGOLLRUSA-N 0 3 368.399 3.483 20 30 FGEDHN C=CCn1cccc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000488731917 502794241 /nfs/dbraw/zinc/79/42/41/502794241.db2.gz JYLRMVNPYAIRIP-ROUUACIJSA-N 0 3 359.514 3.026 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@@H](c2ccc(C)o2)N2CCCC2)nc1 ZINC000495305381 502820990 /nfs/dbraw/zinc/82/09/90/502820990.db2.gz RPEPXBLANKFKAM-KRWDZBQOSA-N 0 3 354.454 3.148 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(C#N)cc(N(C)C)c1)N(C)C ZINC000504985080 502835664 /nfs/dbraw/zinc/83/56/64/502835664.db2.gz KZLXZRQASFYAMZ-IERDGZPVSA-N 0 3 364.493 3.354 20 30 FGEDHN C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H](c1ccccc1)N(C)C ZINC000500668213 502835855 /nfs/dbraw/zinc/83/58/55/502835855.db2.gz GKOLDVZYFBKLMV-FOIQADDNSA-N 0 3 350.466 3.045 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488923448 502839843 /nfs/dbraw/zinc/83/98/43/502839843.db2.gz YQSYVQUGUPDEGL-ZHALLVOQSA-N 0 3 357.498 3.123 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(C#N)c1C ZINC000513054360 502840287 /nfs/dbraw/zinc/84/02/87/502840287.db2.gz LUAQSRGOAUELAQ-HXUWFJFHSA-N 0 3 362.477 3.388 20 30 FGEDHN C=CCOc1cccc(CN[C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)c1 ZINC000513074847 502845745 /nfs/dbraw/zinc/84/57/45/502845745.db2.gz JDRAIEYJZAZLOY-ZIAGYGMSSA-N 0 3 374.510 3.418 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)NCCSCc1ccccc1C#N ZINC000500861734 502880462 /nfs/dbraw/zinc/88/04/62/502880462.db2.gz CUTVEPNXEYRLGO-LJQANCHMSA-N 0 3 374.554 3.355 20 30 FGEDHN N#Cc1ccccc1NC1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000602894453 506342022 /nfs/dbraw/zinc/34/20/22/506342022.db2.gz CDAXAEGGSGETPV-GOSISDBHSA-N 0 3 371.506 3.074 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513416003 502932500 /nfs/dbraw/zinc/93/25/00/502932500.db2.gz LVSBPYVKXBNLPS-HNAYVOBHSA-N 0 3 351.450 3.382 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)CSCc2ccc(C#N)cc2)o1 ZINC000497385887 502945390 /nfs/dbraw/zinc/94/53/90/502945390.db2.gz KRYPYRKDUBLYDD-UHFFFAOYSA-N 0 3 371.506 3.283 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501225913 502961941 /nfs/dbraw/zinc/96/19/41/502961941.db2.gz HIINBDLYXLXHOR-ZWOKBUDYSA-N 0 3 363.461 3.277 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCc2cccc(OC)c2CC1 ZINC000489585992 502992024 /nfs/dbraw/zinc/99/20/24/502992024.db2.gz OALAXQMLDQMFRU-FQEVSTJZSA-N 0 3 367.489 3.264 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000509839416 502995021 /nfs/dbraw/zinc/99/50/21/502995021.db2.gz MLUYSSPKPUGYFY-HNNXBMFYSA-N 0 3 371.481 3.330 20 30 FGEDHN Cc1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)ccc1-n1cncn1 ZINC000513718340 503008454 /nfs/dbraw/zinc/00/84/54/503008454.db2.gz XCAXQEAAPSBSBH-UHFFFAOYSA-N 0 3 373.460 3.491 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000506021669 503030265 /nfs/dbraw/zinc/03/02/65/503030265.db2.gz LJEMAQBXESLNTF-HXUWFJFHSA-N 0 3 351.425 3.193 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513862739 503038230 /nfs/dbraw/zinc/03/82/30/503038230.db2.gz YXMHSOXMXKMTPV-HYEYJGRESA-N 0 3 359.857 3.086 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000602918563 506351250 /nfs/dbraw/zinc/35/12/50/506351250.db2.gz SWOOWZLPLSCOEA-UEILYKACSA-N 0 3 363.889 3.203 20 30 FGEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000490048430 503098834 /nfs/dbraw/zinc/09/88/34/503098834.db2.gz VVBYRHJCKRUTLI-AZUAARDMSA-N 0 3 374.868 3.271 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 ZINC000506364128 503102266 /nfs/dbraw/zinc/10/22/66/503102266.db2.gz QXKFJKPXYBFXSR-UHFFFAOYSA-N 0 3 363.433 3.469 20 30 FGEDHN COc1ccc(C2CCN(CCOc3ccc(C#N)cc3OC)CC2)nc1 ZINC000593040365 506353846 /nfs/dbraw/zinc/35/38/46/506353846.db2.gz FROKGHGGGOTSSF-UHFFFAOYSA-N 0 3 367.449 3.229 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N)N(C)C ZINC000510535582 503137154 /nfs/dbraw/zinc/13/71/54/503137154.db2.gz DYZXOFYUHFQGKM-FVJLSDCUSA-N 0 3 365.477 3.442 20 30 FGEDHN C[C@]1(c2cccc(F)c2)CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000593045590 506356090 /nfs/dbraw/zinc/35/60/90/506356090.db2.gz JELXCBYFKXQXSI-FPOVZHCZSA-N 0 3 354.425 3.101 20 30 FGEDHN COc1ccc(C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)nc1 ZINC000593042032 506354739 /nfs/dbraw/zinc/35/47/39/506354739.db2.gz WDTDZZNOUSGMKR-UHFFFAOYSA-N 0 3 364.449 3.170 20 30 FGEDHN N#C[C@H]1CCC[C@H](NCCOc2ccc(I)cc2)C1 ZINC000511031361 503238235 /nfs/dbraw/zinc/23/82/35/503238235.db2.gz QKRRHGLHOHETEI-JSGCOSHPSA-N 0 3 370.234 3.342 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)COCc2ccccc2)CC1 ZINC000507177327 503243868 /nfs/dbraw/zinc/24/38/68/503243868.db2.gz GWTPNTCPGGSVMA-UHFFFAOYSA-N 0 3 359.514 3.322 20 30 FGEDHN Cc1[nH]ncc1CN(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000602943143 506360633 /nfs/dbraw/zinc/36/06/33/506360633.db2.gz PJAWUUNTGVNLFP-CYBMUJFWSA-N 0 3 357.483 3.040 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000507253976 503261190 /nfs/dbraw/zinc/26/11/90/503261190.db2.gz TUVTZMBEVLSYGO-JHJVBQTASA-N 0 3 357.483 3.286 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1 ZINC000491086585 503270794 /nfs/dbraw/zinc/27/07/94/503270794.db2.gz UQANYSJWPGUFMA-MBOZVWFJSA-N 0 3 357.498 3.123 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(-n2cccn2)nc1)C(C)C ZINC000515139694 503279529 /nfs/dbraw/zinc/27/95/29/503279529.db2.gz JKBGIFJAUWZSCX-SFHVURJKSA-N 0 3 368.485 3.087 20 30 FGEDHN C=CCN(CCCCN1C(=O)c2ccccc2C1=O)CCc1ccco1 ZINC000491380273 503302377 /nfs/dbraw/zinc/30/23/77/503302377.db2.gz MUYRTLUYSPCJGJ-UHFFFAOYSA-N 0 3 352.434 3.387 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000515369162 503325498 /nfs/dbraw/zinc/32/54/98/503325498.db2.gz CXOCPYNBXSAOPE-AABGKKOBSA-N 0 3 371.525 3.320 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000515431504 503337365 /nfs/dbraw/zinc/33/73/65/503337365.db2.gz HCVCBYVCURKYAR-PXNSSMCTSA-N 0 3 365.477 3.350 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000499211818 503355847 /nfs/dbraw/zinc/35/58/47/503355847.db2.gz IPLNVFYEHPYFQB-APWZRJJASA-N 0 3 359.518 3.034 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000582689750 506366520 /nfs/dbraw/zinc/36/65/20/506366520.db2.gz DIDFGVOXSSTBAR-OAHLLOKOSA-N 0 3 352.438 3.209 20 30 FGEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000511657160 503364144 /nfs/dbraw/zinc/36/41/44/503364144.db2.gz QFBKMAPQWXCOGE-KVDVXYDOSA-N 0 3 351.368 3.292 20 30 FGEDHN C[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)N(C)Cc1ccccc1 ZINC000511662106 503365095 /nfs/dbraw/zinc/36/50/95/503365095.db2.gz ADVGZPUUZICYRL-INIZCTEOSA-N 0 3 365.452 3.366 20 30 FGEDHN CNC(=O)[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Cc1ccc(F)cc1C ZINC000515647804 503379533 /nfs/dbraw/zinc/37/95/33/503379533.db2.gz CRJGBMGGSMTKMX-HNAYVOBHSA-N 0 3 353.441 3.261 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H]1CCCC1(C)C ZINC000492934792 503393803 /nfs/dbraw/zinc/39/38/03/503393803.db2.gz BJIYIHMVHNFIPF-QGZVFWFLSA-N 0 3 360.502 3.120 20 30 FGEDHN Cc1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1C#N ZINC000593066489 506371329 /nfs/dbraw/zinc/37/13/29/506371329.db2.gz FIIVYDZLMLNCAK-DHIUTWEWSA-N 0 3 361.489 3.342 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(-n4cccn4)cc3)C2=O)cc1 ZINC000503923476 503490927 /nfs/dbraw/zinc/49/09/27/503490927.db2.gz AACAELCMBPAJPG-OAQYLSRUSA-N 0 3 371.444 3.029 20 30 FGEDHN CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1cccc(C(F)(F)F)c1 ZINC000516348220 503498757 /nfs/dbraw/zinc/49/87/57/503498757.db2.gz RRTDATYRFJDYCN-UHFFFAOYSA-N 0 3 364.415 3.479 20 30 FGEDHN N#CCc1ccc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000512438412 503551685 /nfs/dbraw/zinc/55/16/85/503551685.db2.gz DXUANVRHECYJIU-XMMPIXPASA-N 0 3 374.532 3.145 20 30 FGEDHN C=CCn1c(C2CCC2)nnc1N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508728370 503552180 /nfs/dbraw/zinc/55/21/80/503552180.db2.gz ACZFMTUXKARWJH-IRXDYDNUSA-N 0 3 373.545 3.057 20 30 FGEDHN C[C@@H]1C[C@H]1c1noc(CC2CCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000593077666 506379364 /nfs/dbraw/zinc/37/93/64/506379364.db2.gz NXXYUEDMFYMBOZ-DNVCBOLYSA-N 0 3 366.465 3.398 20 30 FGEDHN C=C(CNC(=O)NCCc1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000494603103 503572261 /nfs/dbraw/zinc/57/22/61/503572261.db2.gz RMOBWMSYPSJIFM-UHFFFAOYSA-N 0 3 367.493 3.182 20 30 FGEDHN Cc1ccc([C@@H](CN[C@H](C)c2ccc(C#N)cc2F)N2CCOCC2)o1 ZINC000512655135 503605074 /nfs/dbraw/zinc/60/50/74/503605074.db2.gz RTWUEQOSJSTOMO-DNVCBOLYSA-N 0 3 357.429 3.323 20 30 FGEDHN C[C@@H](NCCCN1c2ccccc2OCC1=O)c1ccc(C#N)cc1F ZINC000512661395 503605848 /nfs/dbraw/zinc/60/58/48/503605848.db2.gz RYIWBAZHYLNUKK-CQSZACIVSA-N 0 3 353.397 3.164 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](N2CCCCC2)C1 ZINC000532958555 503675028 /nfs/dbraw/zinc/67/50/28/503675028.db2.gz UEPFGWLOZDELJD-MSOLQXFVSA-N 0 3 361.555 3.211 20 30 FGEDHN CCN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517236627 503688718 /nfs/dbraw/zinc/68/87/18/503688718.db2.gz CAJQXLQQKFOCPC-DYESRHJHSA-N 0 3 374.492 3.258 20 30 FGEDHN C=C(C)CN1CCC(Nc2c(C(=O)OCC)cnc3ccccc32)CC1 ZINC000517307013 503710049 /nfs/dbraw/zinc/71/00/49/503710049.db2.gz UEQSMXAMUYXRKF-UHFFFAOYSA-N 0 3 353.466 3.286 20 30 FGEDHN CN(C)CCOc1cc(-c2noc(/C=C/c3ccc(C#N)cc3)n2)ccn1 ZINC000546491392 503765921 /nfs/dbraw/zinc/76/59/21/503765921.db2.gz CVHKQWBHMNHICV-BQYQJAHWSA-N 0 3 361.405 3.114 20 30 FGEDHN Cc1nc(C(=O)N(C)c2ccc(OCCN3CCCC3)cc2)ccc1C#N ZINC000533234611 503771080 /nfs/dbraw/zinc/77/10/80/503771080.db2.gz SDYMNRZCAJRDOK-UHFFFAOYSA-N 0 3 364.449 3.013 20 30 FGEDHN CN(C(=O)Cc1cccc(C#N)c1)c1ccc(OCCN2CCCC2)cc1 ZINC000533234342 503771787 /nfs/dbraw/zinc/77/17/87/503771787.db2.gz FKNGEUWBLHTNNX-UHFFFAOYSA-N 0 3 363.461 3.238 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCC1 ZINC000527377772 503783608 /nfs/dbraw/zinc/78/36/08/503783608.db2.gz AIVRCJNVSSTMEX-ZBFHGGJFSA-N 0 3 365.399 3.494 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530025742 503797419 /nfs/dbraw/zinc/79/74/19/503797419.db2.gz QYAVLIZGQHQJMQ-QUCCMNQESA-N 0 3 355.482 3.095 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N2CCC(CC#N)CC2)N(C)C)cc1 ZINC000517704072 503812586 /nfs/dbraw/zinc/81/25/86/503812586.db2.gz YWXKHLWTXVOTGK-GOSISDBHSA-N 0 3 360.527 3.346 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000530231011 503883133 /nfs/dbraw/zinc/88/31/33/503883133.db2.gz LOYKUBQJKZOOEA-WMLDXEAASA-N 0 3 358.825 3.065 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000530235546 503886178 /nfs/dbraw/zinc/88/61/78/503886178.db2.gz ZHVRSCFZKBDRTO-RVKKMQEKSA-N 0 3 360.816 3.236 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CC#N)CC1 ZINC000543778365 503889673 /nfs/dbraw/zinc/88/96/73/503889673.db2.gz DNAZWXSENBBWOT-FXAWDEMLSA-N 0 3 354.498 3.232 20 30 FGEDHN COc1cc(C)c(CN2CCCN(c3ccccc3C#N)CC2)c(C)n1 ZINC000543782167 503890248 /nfs/dbraw/zinc/89/02/48/503890248.db2.gz MLQJRIBYEJFMOH-UHFFFAOYSA-N 0 3 350.466 3.291 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000518023184 503891656 /nfs/dbraw/zinc/89/16/56/503891656.db2.gz MYOULKWQEUEIGA-UHFFFAOYSA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1nn(-c2ccc(C(=O)C(C#N)c3ccncn3)cc2)c(C)c1Cl ZINC000546859326 503905613 /nfs/dbraw/zinc/90/56/13/503905613.db2.gz MAKOBSIEWIUIOC-OAHLLOKOSA-N 0 3 351.797 3.423 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C2CCOCC2)C1 ZINC000533670978 503917236 /nfs/dbraw/zinc/91/72/36/503917236.db2.gz TXEPBHCWNPNYRI-DDUYZKFLSA-N 0 3 361.530 3.054 20 30 FGEDHN C=CCOc1cccc(CNCc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000518278091 503941519 /nfs/dbraw/zinc/94/15/19/503941519.db2.gz KJLRSDYROMERDF-UHFFFAOYSA-N 0 3 366.461 3.014 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561299 503952855 /nfs/dbraw/zinc/95/28/55/503952855.db2.gz LHNFCKZYADZJKV-SFHVURJKSA-N 0 3 373.545 3.456 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537561299 503952859 /nfs/dbraw/zinc/95/28/59/503952859.db2.gz LHNFCKZYADZJKV-SFHVURJKSA-N 0 3 373.545 3.456 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1C1CCOCC1)C(C)C ZINC000537565185 503956816 /nfs/dbraw/zinc/95/68/16/503956816.db2.gz BCCFQOXWEOAXQF-UXHICEINSA-N 0 3 363.546 3.286 20 30 FGEDHN Cc1ccc2nc(CN[C@H]3CCCN(c4ccc(C#N)cc4F)C3)cn2c1 ZINC000518386092 503970300 /nfs/dbraw/zinc/97/03/00/503970300.db2.gz DGSJUDYGLRPYOI-KRWDZBQOSA-N 0 3 363.440 3.412 20 30 FGEDHN C=CCc1cc(CN2CCN(CCOC)[C@@H](CCC)C2)cc(OC)c1O ZINC000537689134 504006266 /nfs/dbraw/zinc/00/62/66/504006266.db2.gz FMXUJPNNEPVPOH-IBGZPJMESA-N 0 3 362.514 3.062 20 30 FGEDHN C=CC[C@@H](CO)CNCc1cn(-c2ccc(Br)cc2)nc1C ZINC000538123908 504137531 /nfs/dbraw/zinc/13/75/31/504137531.db2.gz DJBJGBWFNWMLHB-CQSZACIVSA-N 0 3 364.287 3.217 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(OC(F)F)c2)CC1 ZINC000519283457 504183208 /nfs/dbraw/zinc/18/32/08/504183208.db2.gz HQKQTVOEYYXQIZ-UHFFFAOYSA-N 0 3 353.413 3.128 20 30 FGEDHN CC(C)[C@H](CNC(=O)Cc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000531148012 504207063 /nfs/dbraw/zinc/20/70/63/504207063.db2.gz AQKYZZGDEYXXTI-QFIPXVFZSA-N 0 3 361.489 3.300 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c(C#N)c1C ZINC000541689838 504223176 /nfs/dbraw/zinc/22/31/76/504223176.db2.gz YLSFYBMJALIJNY-XEKQOVJPSA-N 0 3 353.422 3.249 20 30 FGEDHN C[C@]1(c2cccc(F)c2)CCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528534050 504263022 /nfs/dbraw/zinc/26/30/22/504263022.db2.gz LOGFGFVKQOTWJD-CTNGQTDRSA-N 0 3 354.425 3.101 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)s1 ZINC000531390910 504291092 /nfs/dbraw/zinc/29/10/92/504291092.db2.gz LGDBAQXAOQXQKJ-INIZCTEOSA-N 0 3 354.479 3.141 20 30 FGEDHN N#Cc1cccc(OCCN2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000519785251 504337829 /nfs/dbraw/zinc/33/78/29/504337829.db2.gz LSBDRRSMOQAOMI-UHFFFAOYSA-N 0 3 358.445 3.307 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC)c3cccnc23)CC1 ZINC000545234547 504409882 /nfs/dbraw/zinc/40/98/82/504409882.db2.gz SDPSWNOFEZZZLN-UHFFFAOYSA-N 0 3 354.454 3.405 20 30 FGEDHN C=CCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000535394958 504423630 /nfs/dbraw/zinc/42/36/30/504423630.db2.gz YDKZVNVJQYMERZ-MRXNPFEDSA-N 0 3 374.448 3.292 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000548420002 504439468 /nfs/dbraw/zinc/43/94/68/504439468.db2.gz XHXUAVDZLPAMQY-BEFAXECRSA-N 0 3 351.425 3.480 20 30 FGEDHN C[C@H](NC(C)(C)CNS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000545363459 504461111 /nfs/dbraw/zinc/46/11/11/504461111.db2.gz HACQAKJCLLWGJB-INIZCTEOSA-N 0 3 363.527 3.119 20 30 FGEDHN C=CCOc1c(Br)cc(CNC2(COC)CC2)cc1OC ZINC000531957101 504486949 /nfs/dbraw/zinc/48/69/49/504486949.db2.gz HZRWPYLYGUHNMC-UHFFFAOYSA-N 0 3 356.260 3.291 20 30 FGEDHN Cc1nn(-c2ccncc2)cc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000542468987 504502974 /nfs/dbraw/zinc/50/29/74/504502974.db2.gz YIQYYKJQIZIPGG-UHFFFAOYSA-N 0 3 372.476 3.160 20 30 FGEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1OC(F)F ZINC000539483895 504585834 /nfs/dbraw/zinc/58/58/34/504585834.db2.gz WZMQVKVUQWSEFJ-KBXCAEBGSA-N 0 3 352.381 3.371 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](N2CCCC2)C1 ZINC000548853506 504593063 /nfs/dbraw/zinc/59/30/63/504593063.db2.gz GDNYMNDLWCJFGL-KRWDZBQOSA-N 0 3 371.916 3.383 20 30 FGEDHN COc1cc(OC)cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000532344394 504617292 /nfs/dbraw/zinc/61/72/92/504617292.db2.gz OLWVFFFWEOPPLV-UHFFFAOYSA-N 0 3 351.450 3.288 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CCC(CC#N)CC1)c1cccc(OC)c1 ZINC000542847885 504633125 /nfs/dbraw/zinc/63/31/25/504633125.db2.gz VMXSAIHMDFGMOZ-HXUWFJFHSA-N 0 3 372.513 3.413 20 30 FGEDHN CSc1ccccc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000539635981 504635250 /nfs/dbraw/zinc/63/52/50/504635250.db2.gz FEZQLMIMXRURDK-UHFFFAOYSA-N 0 3 367.518 3.413 20 30 FGEDHN N#CCc1ccnc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000532435191 504649852 /nfs/dbraw/zinc/64/98/52/504649852.db2.gz PLPMGOZVFWLFEX-KRWDZBQOSA-N 0 3 352.413 3.137 20 30 FGEDHN N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4c(c3)CNC4)CC2)cc1 ZINC000521235192 504689574 /nfs/dbraw/zinc/68/95/74/504689574.db2.gz SQDXPTPZFVITFN-UHFFFAOYSA-N 0 3 362.433 3.237 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CNC(C)(C)c2ccc(C)nc2)c(OC)c1 ZINC000546105521 504711381 /nfs/dbraw/zinc/71/13/81/504711381.db2.gz XKAWDQPZSHRMKS-IBGZPJMESA-N 0 3 370.493 3.392 20 30 FGEDHN N#CC(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccncn1 ZINC000546153702 504728042 /nfs/dbraw/zinc/72/80/42/504728042.db2.gz QLOXFVUQDGHDME-INIZCTEOSA-N 0 3 373.372 3.487 20 30 FGEDHN CC(C)[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)N1CCCCC1 ZINC000521518830 504751455 /nfs/dbraw/zinc/75/14/55/504751455.db2.gz PBCWKJFNLYPRDT-NRFANRHFSA-N 0 3 368.525 3.107 20 30 FGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000556173549 504810643 /nfs/dbraw/zinc/81/06/43/504810643.db2.gz KGBCJNJMIQTLDZ-KKSFZXQISA-N 0 3 353.441 3.076 20 30 FGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC000553378915 504898470 /nfs/dbraw/zinc/89/84/70/504898470.db2.gz COGLIULIOMINRR-GJZGRUSLSA-N 0 3 354.372 3.327 20 30 FGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccn1C(C)C ZINC000549813550 504905318 /nfs/dbraw/zinc/90/53/18/504905318.db2.gz ZPAOWNXUQKYJRO-UHFFFAOYSA-N 0 3 352.482 3.453 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N[C@@H]3C[C@H](C)N(C4CC4)C3)c2c1 ZINC000553448390 504917331 /nfs/dbraw/zinc/91/73/31/504917331.db2.gz YGQXTGSXKJNSRZ-GXTWGEPZSA-N 0 3 352.438 3.161 20 30 FGEDHN C[C@@H](NCCn1cnc(C#N)n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000565601169 504934740 /nfs/dbraw/zinc/93/47/40/504934740.db2.gz MAAXNUDWFOAZDS-CQSZACIVSA-N 0 3 351.385 3.432 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccnc(C#N)c2)CC1 ZINC000556692578 504943290 /nfs/dbraw/zinc/94/32/90/504943290.db2.gz ZOAWRSNIESJYTE-UHFFFAOYSA-N 0 3 370.840 3.332 20 30 FGEDHN N#Cc1ccc(CNCCNC(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000562905390 504982178 /nfs/dbraw/zinc/98/21/78/504982178.db2.gz RVJHUUYIGYEJQL-UHFFFAOYSA-N 0 3 353.369 3.158 20 30 FGEDHN C=CCCCN(C)C(=O)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000553849732 505024660 /nfs/dbraw/zinc/02/46/60/505024660.db2.gz INSNDTDAJDQATJ-SFHVURJKSA-N 0 3 371.525 3.191 20 30 FGEDHN CC#CCN(C)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000550490727 505053730 /nfs/dbraw/zinc/05/37/30/505053730.db2.gz ACBCIIGUTQIUGN-HXUWFJFHSA-N 0 3 359.416 3.387 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)c2cccc(F)c2C#N)N(C)C)cc1 ZINC000566016873 505055926 /nfs/dbraw/zinc/05/59/26/505055926.db2.gz FPLZFYYYNIEBJV-GOSISDBHSA-N 0 3 357.454 3.452 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@@H](C)C2CC2)c1C#N ZINC000557216956 505094510 /nfs/dbraw/zinc/09/45/10/505094510.db2.gz LSCCNGAXBMBCQW-HNNXBMFYSA-N 0 3 354.454 3.287 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000566152244 505098480 /nfs/dbraw/zinc/09/84/80/505098480.db2.gz OIMWBPSBVCYFBY-XLIONFOSSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CCC[C@@H](NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccco1 ZINC000560530645 505116255 /nfs/dbraw/zinc/11/62/55/505116255.db2.gz UMAZOHQOCGTGOC-GOSISDBHSA-N 0 3 368.481 3.010 20 30 FGEDHN CC1(C)CC[C@@H](NCCn2cnc(C#N)n2)c2cc(Br)ccc21 ZINC000560580419 505132563 /nfs/dbraw/zinc/13/25/63/505132563.db2.gz FMROITZHBIYGHB-OAHLLOKOSA-N 0 3 374.286 3.315 20 30 FGEDHN CC(C)N1CCN(c2cccc(Nc3nccc(C#N)c3Cl)c2)CC1 ZINC000557619840 505184180 /nfs/dbraw/zinc/18/41/80/505184180.db2.gz WCEIPQBSJKSYEM-UHFFFAOYSA-N 0 3 355.873 3.303 20 30 FGEDHN N#CC1(CN[C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 ZINC000563591287 505186210 /nfs/dbraw/zinc/18/62/10/505186210.db2.gz OYAKUFQAACOGES-HOTGVXAUSA-N 0 3 351.450 3.267 20 30 FGEDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000551267606 505189018 /nfs/dbraw/zinc/18/90/18/505189018.db2.gz FVUPSJYSCOKUPZ-OLZOCXBDSA-N 0 3 360.255 3.222 20 30 FGEDHN CC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)N(CC)CC ZINC000557661734 505196070 /nfs/dbraw/zinc/19/60/70/505196070.db2.gz XWLDTHCLGXREQE-SFHVURJKSA-N 0 3 361.461 3.188 20 30 FGEDHN Cc1ccc(NC(=O)NCc2ccc(CC#N)cc2)c(OCCN(C)C)c1 ZINC000563707428 505217172 /nfs/dbraw/zinc/21/71/72/505217172.db2.gz MMCTXEYUHVUXIO-UHFFFAOYSA-N 0 3 366.465 3.323 20 30 FGEDHN COc1ccc(CN(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cc1C#N ZINC000563842462 505254583 /nfs/dbraw/zinc/25/45/83/505254583.db2.gz OBKSMJZBJVKPDK-VGOFRKELSA-N 0 3 366.461 3.109 20 30 FGEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000561245948 505292027 /nfs/dbraw/zinc/29/20/27/505292027.db2.gz NWKYHJADELRYQE-YSIASYRMSA-N 0 3 352.482 3.061 20 30 FGEDHN CN(c1cc(N)c([N+](=O)[O-])c(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000561264696 505298474 /nfs/dbraw/zinc/29/84/74/505298474.db2.gz XTJDTXGVIMTZJV-KRWDZBQOSA-N 0 3 365.437 3.149 20 30 FGEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000558065327 505299991 /nfs/dbraw/zinc/29/99/91/505299991.db2.gz SGLJWQWIVCCPFL-MRXNPFEDSA-N 0 3 371.506 3.107 20 30 FGEDHN C=CCCCCCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000564098501 505325474 /nfs/dbraw/zinc/32/54/74/505325474.db2.gz RCFLRFNETZIKON-ROUUACIJSA-N 0 3 351.535 3.264 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555230414 505385272 /nfs/dbraw/zinc/38/52/72/505385272.db2.gz AFSGSLOZSRVDHI-KUHUBIRLSA-N 0 3 371.868 3.398 20 30 FGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000555249555 505390954 /nfs/dbraw/zinc/39/09/54/505390954.db2.gz RIFQAMXCTXQOQN-MRXNPFEDSA-N 0 3 370.501 3.098 20 30 FGEDHN CC(C)[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000564442168 505420999 /nfs/dbraw/zinc/42/09/99/505420999.db2.gz BLVQLMHHPKWTFV-DLBZAZTESA-N 0 3 357.420 3.198 20 30 FGEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000555420366 505428847 /nfs/dbraw/zinc/42/88/47/505428847.db2.gz BVBJOKMEDDHTPZ-LMMKCTJWSA-N 0 3 355.482 3.421 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000564570665 505457379 /nfs/dbraw/zinc/45/73/79/505457379.db2.gz AFRKQAWJMZCDIE-CQSZACIVSA-N 0 3 360.310 3.364 20 30 FGEDHN N#Cc1cc(NCC2(N3CCSCC3)CCCC2)nc2ccccc12 ZINC000561886051 505459419 /nfs/dbraw/zinc/45/94/19/505459419.db2.gz RMZMNUSYGUYWOO-UHFFFAOYSA-N 0 3 352.507 3.302 20 30 FGEDHN C=CCC1(C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCC1 ZINC000564594977 505464754 /nfs/dbraw/zinc/46/47/54/505464754.db2.gz OGGTTYPUUPLVTH-OAQYLSRUSA-N 0 3 367.537 3.152 20 30 FGEDHN C[C@@H](O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507677 505484187 /nfs/dbraw/zinc/48/41/87/505484187.db2.gz LHGCXAHAYIOZOO-OPAMFIHVSA-N 0 3 367.468 3.373 20 30 FGEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Sc1ccccc1 ZINC000564847640 505537789 /nfs/dbraw/zinc/53/77/89/505537789.db2.gz AKWCIWJUEVAQQN-OAHLLOKOSA-N 0 3 360.504 3.102 20 30 FGEDHN C[C@@H]1CCc2ccccc2[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000564851288 505539457 /nfs/dbraw/zinc/53/94/57/505539457.db2.gz JITSCPLHZCIHKN-FOIQADDNSA-N 0 3 354.475 3.245 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3cccnc3)C2)c(OC)c1 ZINC000564921160 505558807 /nfs/dbraw/zinc/55/88/07/505558807.db2.gz VFAOIUCHWXETOH-PMACEKPBSA-N 0 3 368.477 3.048 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000599260592 506388479 /nfs/dbraw/zinc/38/84/79/506388479.db2.gz CDOIWNRNOFTJBO-ROUUACIJSA-N 0 3 372.490 3.041 20 30 FGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000593096009 506391840 /nfs/dbraw/zinc/39/18/40/506391840.db2.gz POQKWRLWWVPMQU-KRWDZBQOSA-N 0 3 371.481 3.473 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000599347677 506420322 /nfs/dbraw/zinc/42/03/22/506420322.db2.gz HUVTVKATJHYGIY-XJKSGUPXSA-N 0 3 362.376 3.250 20 30 FGEDHN C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000599348412 506422267 /nfs/dbraw/zinc/42/22/67/506422267.db2.gz KJLZWOJPYHUCFA-UONOGXRCSA-N 0 3 354.397 3.010 20 30 FGEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000599351092 506422927 /nfs/dbraw/zinc/42/29/27/506422927.db2.gz XCNPKTFEQHANMZ-QFBILLFUSA-N 0 3 351.450 3.366 20 30 FGEDHN C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(OC(F)F)c1 ZINC000599351508 506424500 /nfs/dbraw/zinc/42/45/00/506424500.db2.gz ZBLLCHTZPGCPEO-DZGCQCFKSA-N 0 3 354.397 3.010 20 30 FGEDHN CC[C@@H](NCc1ccc(C)c(C#N)c1)c1ccccc1OCC(=O)NC ZINC000599351102 506424587 /nfs/dbraw/zinc/42/45/87/506424587.db2.gz XGDMTGAHFRRVIM-LJQANCHMSA-N 0 3 351.450 3.232 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1cccc(N2CCCC2)c1 ZINC000599352664 506424832 /nfs/dbraw/zinc/42/48/32/506424832.db2.gz FFBDLZAXVGXMCL-LAUBAEHRSA-N 0 3 365.477 3.249 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000596480366 506427381 /nfs/dbraw/zinc/42/73/81/506427381.db2.gz BHPINAOYTQIQQT-MRXNPFEDSA-N 0 3 369.494 3.211 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)OC)cc2)CC1 ZINC000603124075 506428098 /nfs/dbraw/zinc/42/80/98/506428098.db2.gz UUVAWKWCHZXTMT-RBUKOAKNSA-N 0 3 371.481 3.125 20 30 FGEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@H](O)CC1(C#N)CCOCC1 ZINC000599439773 506456761 /nfs/dbraw/zinc/45/67/61/506456761.db2.gz FMJWJKISLONDRG-OAHLLOKOSA-N 0 3 366.889 3.245 20 30 FGEDHN N#Cc1ccc(Cn2cc(CCN3CCCCC3)nn2)c(C(F)(F)F)c1 ZINC000603250709 506469238 /nfs/dbraw/zinc/46/92/38/506469238.db2.gz LLHLKSJVUSHZSI-UHFFFAOYSA-N 0 3 363.387 3.245 20 30 FGEDHN CN(C)CCN(Cc1nc2c(s1)CCCC2)Cc1ccc(C#N)cc1 ZINC000589194675 506477433 /nfs/dbraw/zinc/47/74/33/506477433.db2.gz ZTEHMCHACGCYMA-UHFFFAOYSA-N 0 3 354.523 3.457 20 30 FGEDHN C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000596597270 506480746 /nfs/dbraw/zinc/48/07/46/506480746.db2.gz NJBZVAODJKVTMB-OXQOHEQNSA-N 0 3 350.466 3.091 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccccc2)c(C(F)(F)F)c1 ZINC000589308852 506513074 /nfs/dbraw/zinc/51/30/74/506513074.db2.gz XNMSACOFCQBTCR-OAHLLOKOSA-N 0 3 350.340 3.107 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591552 506516772 /nfs/dbraw/zinc/51/67/72/506516772.db2.gz VOTMTFZDKOSOGH-QAPCUYQASA-N 0 3 371.481 3.187 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C2 ZINC000593306189 506528693 /nfs/dbraw/zinc/52/86/93/506528693.db2.gz ADJIPLJONSMODU-OAQYLSRUSA-N 0 3 360.461 3.421 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)N[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000593313403 506531684 /nfs/dbraw/zinc/53/16/84/506531684.db2.gz ASXKQPGDJNOFGC-FQEVSTJZSA-N 0 3 360.461 3.248 20 30 FGEDHN N#Cc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000589495120 506568570 /nfs/dbraw/zinc/56/85/70/506568570.db2.gz UPOFMXMXEQFHTO-QGZVFWFLSA-N 0 3 367.415 3.264 20 30 FGEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000583070429 506574469 /nfs/dbraw/zinc/57/44/69/506574469.db2.gz JRWMFSXNRVLMMQ-BQRZEWRMSA-N 0 3 369.509 3.208 20 30 FGEDHN N#CCc1cccc2c1CCN(CCCOc1ccc3c(c1)OCO3)C2 ZINC000599678671 506575366 /nfs/dbraw/zinc/57/53/66/506575366.db2.gz KWQKXDYELWQYAQ-UHFFFAOYSA-N 0 3 350.418 3.309 20 30 FGEDHN C[C@@H]1CCN(C(=O)NCC2(C#N)CCCC2)CCN1Cc1ccccc1 ZINC000593426624 506613225 /nfs/dbraw/zinc/61/32/25/506613225.db2.gz HFBMZNPRAMRHAM-GOSISDBHSA-N 0 3 354.498 3.376 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000596829322 506623013 /nfs/dbraw/zinc/62/30/13/506623013.db2.gz SFBDSDSZCJZWFK-OAQYLSRUSA-N 0 3 365.452 3.318 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@]1(C)CC1(F)F ZINC000596829152 506623198 /nfs/dbraw/zinc/62/31/98/506623198.db2.gz JOGILPWFKATJTM-GOSISDBHSA-N 0 3 364.440 3.067 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1 ZINC000599790049 506638556 /nfs/dbraw/zinc/63/85/56/506638556.db2.gz DTYVRWIVLHIBFT-DEYYWGMASA-N 0 3 361.467 3.169 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000603875057 506645360 /nfs/dbraw/zinc/64/53/60/506645360.db2.gz WQCRZJDRXAUYOU-MRXNPFEDSA-N 0 3 367.449 3.334 20 30 FGEDHN COc1cc(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c(F)cc1C#N ZINC000599813137 506650312 /nfs/dbraw/zinc/65/03/12/506650312.db2.gz ZIAYHOWAXRKFSD-QGZVFWFLSA-N 0 3 374.391 3.269 20 30 FGEDHN N#Cc1ccc(O[C@H]2CCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)nc1 ZINC000590004521 506703922 /nfs/dbraw/zinc/70/39/22/506703922.db2.gz DZSSPGWVOCCXPR-VXKWHMMOSA-N 0 3 373.456 3.163 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C)c2ccccc2C1)C(C)C ZINC000590156746 506753247 /nfs/dbraw/zinc/75/32/47/506753247.db2.gz LQMQZODQSCGGOE-OAQYLSRUSA-N 0 3 370.541 3.347 20 30 FGEDHN N#Cc1ccc(NCC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000609018060 506763800 /nfs/dbraw/zinc/76/38/00/506763800.db2.gz NUTPQJRIRZFGGV-OAQYLSRUSA-N 0 3 362.477 3.314 20 30 FGEDHN N#CC(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccncn1 ZINC000583412225 506764698 /nfs/dbraw/zinc/76/46/98/506764698.db2.gz WEGMWHJZTBFQTQ-KRWDZBQOSA-N 0 3 360.348 3.358 20 30 FGEDHN CN1C[C@@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)[C@@H]2C1 ZINC000590444747 506824578 /nfs/dbraw/zinc/82/45/78/506824578.db2.gz KPJYGHJZIVNFCR-FUHWJXTLSA-N 0 3 363.486 3.486 20 30 FGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCSCc1ccccc1C#N ZINC000609359047 506864261 /nfs/dbraw/zinc/86/42/61/506864261.db2.gz LUQNISSZZJCDME-CALCHBBNSA-N 0 3 374.554 3.354 20 30 FGEDHN CC[C@@H](NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCCCO1 ZINC000594045079 506903872 /nfs/dbraw/zinc/90/38/72/506903872.db2.gz SWFGWWAJYPMPBJ-UXHICEINSA-N 0 3 357.498 3.487 20 30 FGEDHN CN(C)CCN(C(=O)CCCCOc1cccc(C#N)c1)C1CCCC1 ZINC000609555217 506921184 /nfs/dbraw/zinc/92/11/84/506921184.db2.gz FKIQFOIXKIQOBI-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN COC(=O)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCCCC1 ZINC000600409450 506941473 /nfs/dbraw/zinc/94/14/73/506941473.db2.gz IBGUDNPNNQVXBI-MOPGFXCFSA-N 0 3 356.466 3.245 20 30 FGEDHN C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CCN(C2CC2)C1 ZINC000590772316 506945192 /nfs/dbraw/zinc/94/51/92/506945192.db2.gz JVIHSRQCIDULPM-NSHDSACASA-N 0 3 352.265 3.421 20 30 FGEDHN COC1CCC(N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000609681108 506974352 /nfs/dbraw/zinc/97/43/52/506974352.db2.gz SUQHRBUWTFHDFG-UHFFFAOYSA-N 0 3 363.889 3.476 20 30 FGEDHN CC[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)N1CCc2ccccc2C1 ZINC000594208663 507010202 /nfs/dbraw/zinc/01/02/02/507010202.db2.gz HXQFAWROFYBSBN-JOCHJYFZSA-N 0 3 374.488 3.420 20 30 FGEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000609841326 507020300 /nfs/dbraw/zinc/02/03/00/507020300.db2.gz PIAQBULBGDBACH-CQSZACIVSA-N 0 3 357.454 3.358 20 30 FGEDHN Cn1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000590971433 507067922 /nfs/dbraw/zinc/06/79/22/507067922.db2.gz ZDOBBVJZXQWKCP-LEWJYISDSA-N 0 3 364.493 3.332 20 30 FGEDHN COc1ccc(C(NC[C@H](O)CC2(C#N)CC2)c2ccc(OC)cc2)cc1 ZINC000600715900 507078212 /nfs/dbraw/zinc/07/82/12/507078212.db2.gz DLQXXQBQVYCSPO-GOSISDBHSA-N 0 3 366.461 3.438 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCCSc1ccc(Cl)cc1 ZINC000600713575 507078889 /nfs/dbraw/zinc/07/88/89/507078889.db2.gz CJCUSPXVHULATE-INIZCTEOSA-N 0 3 362.882 3.333 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000610051208 507082455 /nfs/dbraw/zinc/08/24/55/507082455.db2.gz JATGULOETYFXCO-SFHVURJKSA-N 0 3 363.461 3.455 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccc(OC2CCCC2)cc1 ZINC000600725876 507085558 /nfs/dbraw/zinc/08/55/58/507085558.db2.gz YZLVOPUNPVSYGP-IBGZPJMESA-N 0 3 366.461 3.409 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2ccc(-c3ccco3)cc2F)CCOCC1 ZINC000600734123 507090332 /nfs/dbraw/zinc/09/03/32/507090332.db2.gz DRIMINWVLMWASD-QGZVFWFLSA-N 0 3 358.413 3.247 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000594359460 507092624 /nfs/dbraw/zinc/09/26/24/507092624.db2.gz KLGKHQLKZWQSIU-GOSISDBHSA-N 0 3 364.493 3.112 20 30 FGEDHN CN(C(=O)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1)c1ccccc1 ZINC000594429411 507127450 /nfs/dbraw/zinc/12/74/50/507127450.db2.gz TVZZIYVKCKTQAJ-IBGZPJMESA-N 0 3 364.449 3.313 20 30 FGEDHN COc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)c2ccc(F)cc2)cc1 ZINC000594431689 507129655 /nfs/dbraw/zinc/12/96/55/507129655.db2.gz PSJFWAODJMEZEE-UXHICEINSA-N 0 3 369.440 3.451 20 30 FGEDHN Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@H](N)CCCCC#N ZINC000594435447 507131466 /nfs/dbraw/zinc/13/14/66/507131466.db2.gz FAGMYAHTLXZYIC-HXUWFJFHSA-N 0 3 350.466 3.330 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000594439430 507132797 /nfs/dbraw/zinc/13/27/97/507132797.db2.gz VWWSOTXQDGFZQT-QGZVFWFLSA-N 0 3 356.401 3.040 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000594440995 507135149 /nfs/dbraw/zinc/13/51/49/507135149.db2.gz KMRAVMFDYVGKDR-QZTJIDSGSA-N 0 3 362.905 3.004 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCCn2cc(Br)ccc2=O)cc1 ZINC000594521798 507170281 /nfs/dbraw/zinc/17/02/81/507170281.db2.gz VAXRQTVAUVXYAB-UHFFFAOYSA-N 0 3 374.282 3.202 20 30 FGEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000597921923 507176675 /nfs/dbraw/zinc/17/66/75/507176675.db2.gz HXTQKPMBDFNNTN-MRXNPFEDSA-N 0 3 367.449 3.333 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000605402946 507177338 /nfs/dbraw/zinc/17/73/38/507177338.db2.gz NKULJXYMHHFCRR-UHFFFAOYSA-N 0 3 372.509 3.245 20 30 FGEDHN C[C@H](N[C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000594552023 507181502 /nfs/dbraw/zinc/18/15/02/507181502.db2.gz XBHCXFOBABHNAJ-RRQGHBQHSA-N 0 3 372.538 3.042 20 30 FGEDHN N#Cc1sccc1N1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000597939144 507187984 /nfs/dbraw/zinc/18/79/84/507187984.db2.gz KYJHNJUYLCRCIE-SFHVURJKSA-N 0 3 372.538 3.065 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1C ZINC000610319449 507192354 /nfs/dbraw/zinc/19/23/54/507192354.db2.gz AJBPUVGKNBSYNR-HOCLYGCPSA-N 0 3 365.437 3.350 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1C ZINC000610319450 507192577 /nfs/dbraw/zinc/19/25/77/507192577.db2.gz AJBPUVGKNBSYNR-ZBFHGGJFSA-N 0 3 365.437 3.350 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C ZINC000610321434 507193368 /nfs/dbraw/zinc/19/33/68/507193368.db2.gz UJSNHQRSGCZBSG-ZBFHGGJFSA-N 0 3 365.437 3.350 20 30 FGEDHN COC[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc(OC)c1 ZINC000598063628 507239602 /nfs/dbraw/zinc/23/96/02/507239602.db2.gz CUZUWEVPAJTDET-ICSRJNTNSA-N 0 3 352.434 3.271 20 30 FGEDHN CCN(C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000610538439 507280459 /nfs/dbraw/zinc/28/04/59/507280459.db2.gz QWKDTBJUQCJYMH-JXFKEZNVSA-N 0 3 354.450 3.281 20 30 FGEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000598173291 507294105 /nfs/dbraw/zinc/29/41/05/507294105.db2.gz BLNXPLBMRPORCY-HAGHYFMRSA-N 0 3 368.477 3.339 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000610582679 507303651 /nfs/dbraw/zinc/30/36/51/507303651.db2.gz KYQGDBGRFYPLSL-HXUWFJFHSA-N 0 3 359.433 3.114 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000598195088 507307776 /nfs/dbraw/zinc/30/77/76/507307776.db2.gz KTVGWZKNXIXNBR-QFIPXVFZSA-N 0 3 361.489 3.266 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000598196014 507307949 /nfs/dbraw/zinc/30/79/49/507307949.db2.gz YWODRDJRPIFTSY-XPWALMASSA-N 0 3 373.500 3.437 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCN(C4CCCCC4)C3)on2)c1 ZINC000598218545 507323209 /nfs/dbraw/zinc/32/32/09/507323209.db2.gz HRWLPFRQOLRORA-KRWDZBQOSA-N 0 3 364.449 3.350 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(C4(C#N)CC4)cc3)C2=O)cc1 ZINC000594941972 507324613 /nfs/dbraw/zinc/32/46/13/507324613.db2.gz DSZGUJCUJXHGMQ-NRFANRHFSA-N 0 3 370.456 3.399 20 30 FGEDHN CO[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCOC1 ZINC000594950918 507328070 /nfs/dbraw/zinc/32/80/70/507328070.db2.gz KYHAUCKWMFBZBB-IRLDBZIGSA-N 0 3 366.461 3.278 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)COCc1ccccc1Cl ZINC000591763871 507351819 /nfs/dbraw/zinc/35/18/19/507351819.db2.gz OVDFJBBYFSXEPV-FXAWDEMLSA-N 0 3 356.853 3.366 20 30 FGEDHN CCOc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1Cl ZINC000591765758 507352828 /nfs/dbraw/zinc/35/28/28/507352828.db2.gz FWTPTOVATFFSDK-MRXNPFEDSA-N 0 3 360.841 3.140 20 30 FGEDHN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C[C@H]1CCOC1 ZINC000610735289 507371775 /nfs/dbraw/zinc/37/17/75/507371775.db2.gz UYMZMELEOCVSJP-MRXNPFEDSA-N 0 3 363.889 3.254 20 30 FGEDHN COc1cc(NC(=O)[C@H](N)CCCCC#N)c(Cl)cc1Br ZINC000595259747 507442649 /nfs/dbraw/zinc/44/26/49/507442649.db2.gz NRQIWBQNBCBSGP-LLVKDONJSA-N 0 3 374.666 3.461 20 30 FGEDHN C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000595264053 507444662 /nfs/dbraw/zinc/44/46/62/507444662.db2.gz HQBIOVBRXCDWAU-VHKYSDTDSA-N 0 3 366.440 3.367 20 30 FGEDHN N#Cc1ccc(CCN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000595307946 507456270 /nfs/dbraw/zinc/45/62/70/507456270.db2.gz CHXWFYLYZBQWFN-UHFFFAOYSA-N 0 3 359.433 3.425 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2CC)CC1 ZINC000592068641 507474687 /nfs/dbraw/zinc/47/46/87/507474687.db2.gz KKLGVFASNXGEHS-UHFFFAOYSA-N 0 3 352.482 3.123 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)N2CC[C@@](C)(C#N)C2)c2cccs2)CC1 ZINC000595426520 507491075 /nfs/dbraw/zinc/49/10/75/507491075.db2.gz YEACSQMTUAQZSV-LPHOPBHVSA-N 0 3 360.527 3.466 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1)OCC ZINC000614442542 507514510 /nfs/dbraw/zinc/51/45/10/507514510.db2.gz GWERXJDLUIIACM-RTBURBONSA-N 0 3 368.562 3.078 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611108187 507518431 /nfs/dbraw/zinc/51/84/31/507518431.db2.gz BQPHNZXAHKYZSY-HKUYNNGSSA-N 0 3 357.816 3.412 20 30 FGEDHN CC(=O)N1CCC(N(CCc2ccc(C#N)cc2)Cc2cncs2)CC1 ZINC000595512335 507538211 /nfs/dbraw/zinc/53/82/11/507538211.db2.gz SVKFBSNLGWAJBI-UHFFFAOYSA-N 0 3 368.506 3.070 20 30 FGEDHN N#Cc1cccc(NC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000592263416 507569693 /nfs/dbraw/zinc/56/96/93/507569693.db2.gz RVMMYBFYHIRIOA-NRFANRHFSA-N 0 3 361.449 3.083 20 30 FGEDHN CC[C@@H](CN1CCCC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611248151 507579582 /nfs/dbraw/zinc/57/95/82/507579582.db2.gz KEAGXKYODIBROK-FQEVSTJZSA-N 0 3 352.482 3.231 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000592297123 507598130 /nfs/dbraw/zinc/59/81/30/507598130.db2.gz YPBJYQNSTHCHLT-KRWDZBQOSA-N 0 3 359.514 3.356 20 30 FGEDHN CCc1cc(C#N)c(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)s1 ZINC000598806673 507610897 /nfs/dbraw/zinc/61/08/97/507610897.db2.gz BRKSVFPQNSVUBW-PWSUYJOCSA-N 0 3 362.373 3.105 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000598806717 507611247 /nfs/dbraw/zinc/61/12/47/507611247.db2.gz CRIWSYMWEQJZQP-OLZOCXBDSA-N 0 3 373.375 3.037 20 30 FGEDHN CNC(=O)[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Cc1ccc(F)cc1C ZINC000592391643 507635036 /nfs/dbraw/zinc/63/50/36/507635036.db2.gz SEYHPGJXIPZDIW-KBXCAEBGSA-N 0 3 371.431 3.400 20 30 FGEDHN CNC(=O)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Cc1ccc(F)cc1C ZINC000592391595 507635714 /nfs/dbraw/zinc/63/57/14/507635714.db2.gz GHWFMNCVTCYDTH-PBHICJAKSA-N 0 3 371.431 3.400 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000611395692 507660938 /nfs/dbraw/zinc/66/09/38/507660938.db2.gz PDYHGYQYRMBAIE-FQEVSTJZSA-N 0 3 354.475 3.463 20 30 FGEDHN N#Cc1cc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccn1 ZINC000586786252 507671514 /nfs/dbraw/zinc/67/15/14/507671514.db2.gz GVTZZIPPUBBCOH-GOSISDBHSA-N 0 3 361.367 3.463 20 30 FGEDHN COc1cc(CN2CCC[C@@H]2[C@@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000595765420 507675068 /nfs/dbraw/zinc/67/50/68/507675068.db2.gz GTIZEDNEJVKADS-OXQOHEQNSA-N 0 3 366.461 3.491 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000586806716 507679803 /nfs/dbraw/zinc/67/98/03/507679803.db2.gz GRMMYIXMCDBXOB-MJGOQNOKSA-N 0 3 361.436 3.296 20 30 FGEDHN CN(Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000592498789 507681807 /nfs/dbraw/zinc/68/18/07/507681807.db2.gz GEXMGSKJJXVDBX-AZUAARDMSA-N 0 3 361.449 3.201 20 30 FGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595783886 507683320 /nfs/dbraw/zinc/68/33/20/507683320.db2.gz CNSWTOCQIZZHBP-SFHVURJKSA-N 0 3 366.509 3.477 20 30 FGEDHN CCCCN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCc2ncsc2C1 ZINC000592528299 507696559 /nfs/dbraw/zinc/69/65/59/507696559.db2.gz HTGMNGAFSFNIGI-MRXNPFEDSA-N 0 3 366.494 3.217 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCNc1ncc(Cl)cc1Cl ZINC000602556443 507747537 /nfs/dbraw/zinc/74/75/37/507747537.db2.gz UDFXEKGQSVRNFI-LBPRGKRZSA-N 0 3 357.285 3.489 20 30 FGEDHN C=CC[NH+](CC=C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000735418704 598387348 /nfs/dbraw/zinc/38/73/48/598387348.db2.gz HFXXRQWJMLBJJY-HNNXBMFYSA-N 0 3 361.881 3.026 20 30 FGEDHN C=CC[NH+](CC=C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000735418704 598387350 /nfs/dbraw/zinc/38/73/50/598387350.db2.gz HFXXRQWJMLBJJY-HNNXBMFYSA-N 0 3 361.881 3.026 20 30 FGEDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722615 601043563 /nfs/dbraw/zinc/04/35/63/601043563.db2.gz FZRVWQOVGPQRTD-TZIWHRDSSA-N 0 3 363.461 3.138 20 30 FGEDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722615 601043567 /nfs/dbraw/zinc/04/35/67/601043567.db2.gz FZRVWQOVGPQRTD-TZIWHRDSSA-N 0 3 363.461 3.138 20 30 FGEDHN N#CC(C(=O)CCCNC(=O)c1ccsc1)c1nc2ccccc2[nH]1 ZINC000041496311 695762558 /nfs/dbraw/zinc/76/25/58/695762558.db2.gz ZVUZYHGDHOLJFY-CYBMUJFWSA-N 0 3 352.419 3.011 20 30 FGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(Cn3cncn3)cc2)n1 ZINC000080452467 700317728 /nfs/dbraw/zinc/31/77/28/700317728.db2.gz HEWQFOHEAMWGQO-HNNXBMFYSA-N 0 3 351.435 3.396 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H](C)OCC1CC1 ZINC000120258084 700651474 /nfs/dbraw/zinc/65/14/74/700651474.db2.gz ZOSVXCUPZBBKNQ-WCQYABFASA-N 0 3 364.829 3.120 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123853419 700710906 /nfs/dbraw/zinc/71/09/06/700710906.db2.gz YJYXBMBCXNGQFQ-CYBMUJFWSA-N 0 3 353.765 3.181 20 30 FGEDHN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124666449 700722987 /nfs/dbraw/zinc/72/29/87/700722987.db2.gz BHUFQVULLQALQI-CMPLNLGQSA-N 0 3 355.221 3.092 20 30 FGEDHN C#CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000159087364 705210771 /nfs/dbraw/zinc/21/07/71/705210771.db2.gz YYNQFVGYRGSJTG-GOSISDBHSA-N 0 3 354.475 3.327 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175095323 705532622 /nfs/dbraw/zinc/53/26/22/705532622.db2.gz YROVIFKQRKMQQZ-RYUDHWBXSA-N 0 3 356.875 3.145 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000328137907 713824331 /nfs/dbraw/zinc/82/43/31/713824331.db2.gz ZAQMCSAGQQXUMF-UHFFFAOYSA-N 0 3 359.267 3.287 20 30 FGEDHN C=CC[C@H]1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000625705126 715776834 /nfs/dbraw/zinc/77/68/34/715776834.db2.gz SDEUMUGSBWUTKT-KRWDZBQOSA-N 0 3 359.539 3.072 20 30 FGEDHN C=CCOc1cccc(CNCc2ccnc(N3CCSCC3)c2)c1 ZINC000631242246 716593221 /nfs/dbraw/zinc/59/32/21/716593221.db2.gz JVAQFFCYJBCKPT-UHFFFAOYSA-N 0 3 355.507 3.489 20 30 FGEDHN O[C@@H](CNCC#Cc1cccc(C(F)(F)F)c1)COCc1cccs1 ZINC000644515498 718116110 /nfs/dbraw/zinc/11/61/10/718116110.db2.gz ZCLMLERVFSSSBZ-INIZCTEOSA-N 0 3 369.408 3.286 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C(C)(C)CC)CC1 ZINC000653810938 719094792 /nfs/dbraw/zinc/09/47/92/719094792.db2.gz VRIJOUQVNGWOAY-QGZVFWFLSA-N 0 3 363.571 3.457 20 30 FGEDHN C=CCOc1c(Br)cc(CNC/C=C\CO)cc1OCC ZINC000657591475 719681114 /nfs/dbraw/zinc/68/11/14/719681114.db2.gz HVTWZKUXQYCPNZ-WAYWQWQTSA-N 0 3 356.260 3.051 20 30 FGEDHN C=CCN1C(=O)CC[C@]12CCCN(c1cc(CN(C)C)ccn1)[C@@H]2CC ZINC001164700730 719823700 /nfs/dbraw/zinc/82/37/00/719823700.db2.gz MBDBYUPYMZBDDO-NQIIRXRSSA-N 0 3 356.514 3.069 20 30 FGEDHN C=CCN(Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)C(C)(C)C ZINC000661760328 720315590 /nfs/dbraw/zinc/31/55/90/720315590.db2.gz RBPLUCICNCNQKF-UHFFFAOYSA-N 0 3 357.380 3.328 20 30 FGEDHN N#Cc1ccc2ccnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726004 720369539 /nfs/dbraw/zinc/36/95/39/720369539.db2.gz OIRUKXVFRLFRHT-NHCUHLMSSA-N 0 3 355.445 3.355 20 30 FGEDHN C=CCOc1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000667101462 721030313 /nfs/dbraw/zinc/03/03/13/721030313.db2.gz XBNZAOZKWOSYMF-HUUCEWRRSA-N 0 3 359.344 3.174 20 30 FGEDHN C=CCOC[C@H]1CCC[C@@]12CN(c1ccc(CN3CCCC3)cn1)CCO2 ZINC001164973757 722168904 /nfs/dbraw/zinc/16/89/04/722168904.db2.gz CUQLDASXTZLPNQ-IFMALSPDSA-N 0 3 371.525 3.256 20 30 FGEDHN CCC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000729088748 722457147 /nfs/dbraw/zinc/45/71/47/722457147.db2.gz GQLWBHHNJLTWCP-VHSXEESVSA-N 0 3 363.389 3.179 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000731959528 722480129 /nfs/dbraw/zinc/48/01/29/722480129.db2.gz NQOGHJBGQUBRIT-UHFFFAOYSA-N 0 3 354.479 3.161 20 30 FGEDHN C=C(Br)CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000734273449 722505627 /nfs/dbraw/zinc/50/56/27/722505627.db2.gz MWIHQRSJZMRQCN-MRXNPFEDSA-N 0 3 366.303 3.421 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)n2cccc2)cc1Cl ZINC000735206086 722513324 /nfs/dbraw/zinc/51/33/24/722513324.db2.gz IXZSNMWMJHHWPD-JSGCOSHPSA-N 0 3 359.813 3.449 20 30 FGEDHN N#CC(C(=O)CCCOc1cccnc1)C(=O)Nc1ccc(Cl)cc1 ZINC000744024883 722572977 /nfs/dbraw/zinc/57/29/77/722572977.db2.gz CDTFGVQYSVZYLL-INIZCTEOSA-N 0 3 357.797 3.242 20 30 FGEDHN CCOC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000794641704 723537516 /nfs/dbraw/zinc/53/75/16/723537516.db2.gz LYWXUUQSNGCGTF-CQSZACIVSA-N 0 3 357.479 3.364 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]\CCn2cc(Br)cn2)c([O-])c1 ZINC000794675865 723540143 /nfs/dbraw/zinc/54/01/43/723540143.db2.gz GVJCWZKODMIUHQ-ZDLGFXPLSA-N 0 3 365.275 3.317 20 30 FGEDHN N#CC(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1 ZINC000796785363 723654838 /nfs/dbraw/zinc/65/48/38/723654838.db2.gz XXIWRYFOCOYDIX-OAHLLOKOSA-N 0 3 362.838 3.165 20 30 FGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2csc(C)c2)cc1 ZINC000796792174 723655071 /nfs/dbraw/zinc/65/50/71/723655071.db2.gz JFERFSWBINUNSM-OAHLLOKOSA-N 0 3 356.403 3.194 20 30 FGEDHN C[C@@H](NC(=O)c1cccs1)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797572106 723836456 /nfs/dbraw/zinc/83/64/56/723836456.db2.gz YWPSNIMJBRXDJL-GHMZBOCLSA-N 0 3 361.492 3.497 20 30 FGEDHN C=CC[C@H](CO)CNCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000774828660 723933856 /nfs/dbraw/zinc/93/38/56/723933856.db2.gz XBHWWVHHIALVFA-HNNXBMFYSA-N 0 3 351.853 3.307 20 30 FGEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)N(C)CC(F)(F)F ZINC000798828220 723966958 /nfs/dbraw/zinc/96/69/58/723966958.db2.gz XBICUYUYPVACNA-WCBMZHEXSA-N 0 3 359.348 3.494 20 30 FGEDHN C[C@H](C#N)OCCN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000801914132 724344967 /nfs/dbraw/zinc/34/49/67/724344967.db2.gz SFXYGQMRJLHCMT-NVXWUHKLSA-N 0 3 351.491 3.027 20 30 FGEDHN Cn1nc(Br)cc1CNCCSCc1ccccc1C#N ZINC000785412084 724911108 /nfs/dbraw/zinc/91/11/08/724911108.db2.gz ATNZGSYPTYERBY-UHFFFAOYSA-N 0 3 365.300 3.077 20 30 FGEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)C(C)C ZINC000786525917 724986433 /nfs/dbraw/zinc/98/64/33/724986433.db2.gz CIFBPKYIPMBTHQ-WBVHZDCISA-N 0 3 350.846 3.116 20 30 FGEDHN C=CCCOCC(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000787049848 725014806 /nfs/dbraw/zinc/01/48/06/725014806.db2.gz IIKFIYZRFVEHNB-SMDDNHRTSA-N 0 3 369.248 3.472 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](CCSC)C(=O)NC)cc1 ZINC000806663814 725139986 /nfs/dbraw/zinc/13/99/86/725139986.db2.gz VKZHTHXDKPWMEL-BBRMVZONSA-N 0 3 356.919 3.336 20 30 FGEDHN CCC[C@@H](C(=O)C(C#N)c1nc(C(=O)OCC)cs1)c1ccccn1 ZINC000810555386 725314470 /nfs/dbraw/zinc/31/44/70/725314470.db2.gz YWYOJHWKADNDFH-OLZOCXBDSA-N 0 3 357.435 3.475 20 30 FGEDHN C#CCN(C)CCCNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000818609444 727316627 /nfs/dbraw/zinc/31/66/27/727316627.db2.gz XHQGBKNWSPSEQB-AWEZNQCLSA-N 0 3 351.288 3.014 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)C2(C#N)CCSCC2)N(C)C)cc1 ZINC000820834710 729036146 /nfs/dbraw/zinc/03/61/46/729036146.db2.gz IRFGBLSLRPQRKR-MRXNPFEDSA-N 0 3 363.552 3.164 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)C#Cc2cccs2)cc1 ZINC000828178751 729440911 /nfs/dbraw/zinc/44/09/11/729440911.db2.gz SGVOYGVSKGYTGN-LJQANCHMSA-N 0 3 354.475 3.062 20 30 FGEDHN CO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1(C)C ZINC000831547770 729650253 /nfs/dbraw/zinc/65/02/53/729650253.db2.gz VWKSTFUMOLSZHF-SUMWQHHRSA-N 0 3 357.479 3.219 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(Br)c(F)c2)CC1 ZINC000840565342 730154217 /nfs/dbraw/zinc/15/42/17/730154217.db2.gz IWULOFDBSFDBMA-UHFFFAOYSA-N 0 3 353.235 3.180 20 30 FGEDHN CN(CCC(=O)Nc1cccc(Cl)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371435 730708707 /nfs/dbraw/zinc/70/87/07/730708707.db2.gz YQTQCHZQDOWYKO-SFHVURJKSA-N 0 3 357.841 3.206 20 30 FGEDHN COCCCOCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000850758412 731385224 /nfs/dbraw/zinc/38/52/24/731385224.db2.gz FBQWTIQOBRZQEG-GFCCVEGCSA-N 0 3 373.236 3.084 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000858403919 732211338 /nfs/dbraw/zinc/21/13/38/732211338.db2.gz LAKCVENZGFGKJV-IRXDYDNUSA-N 0 3 357.516 3.419 20 30 FGEDHN CC(C)[C@H](NC=O)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000860475429 732519708 /nfs/dbraw/zinc/51/97/08/732519708.db2.gz PHSXHWYQIUYKSI-HIFRSBDPSA-N 0 3 361.854 3.410 20 30 FGEDHN C#CC[C@H](CCOC)[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000862548703 732849273 /nfs/dbraw/zinc/84/92/73/732849273.db2.gz LRKHNDILPDAVAH-CYBMUJFWSA-N 0 3 356.260 3.071 20 30 FGEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CCCN(Cc3cccs3)C2)C1=O ZINC000865301426 733176442 /nfs/dbraw/zinc/17/64/42/733176442.db2.gz LQTGQCHHRBETRX-ZFWWWQNUSA-N 0 3 367.902 3.023 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)CC1 ZINC000872902614 735693837 /nfs/dbraw/zinc/69/38/37/735693837.db2.gz OXUWTQBMKWGJDR-GFCCVEGCSA-N 0 3 356.392 3.111 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000876715995 736135799 /nfs/dbraw/zinc/13/57/99/736135799.db2.gz SHDWOFSVPIPGLR-LBPRGKRZSA-N 0 3 350.875 3.305 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000876899019 736160066 /nfs/dbraw/zinc/16/00/66/736160066.db2.gz ZEVCYCDJJZYPMR-ZIAGYGMSSA-N 0 3 362.779 3.075 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000877306256 736205427 /nfs/dbraw/zinc/20/54/27/736205427.db2.gz KYFWKAWQOFZKRS-OAHLLOKOSA-N 0 3 364.287 3.008 20 30 FGEDHN CC(C)(NCc1cccc(C#N)n1)[C@H](O)c1ccc(Br)cc1 ZINC000877361627 736211489 /nfs/dbraw/zinc/21/14/89/736211489.db2.gz TXFLEIPYUWYJEM-MRXNPFEDSA-N 0 3 360.255 3.318 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NC1(c3ccc(Cl)cc3)CCCC1)C2 ZINC000884118090 737634998 /nfs/dbraw/zinc/63/49/98/737634998.db2.gz UJBRJDKTJQTZMA-RCDNUKIMSA-N 0 3 357.885 3.365 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cc(F)ccc1SCC(F)F)C2 ZINC000884146895 737637644 /nfs/dbraw/zinc/63/76/44/737637644.db2.gz UVHHWUBUQSYMIR-VVHFOWEKSA-N 0 3 369.412 3.261 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NC1(c3c(Cl)cccc3Cl)CC1)C2 ZINC000884173199 737640380 /nfs/dbraw/zinc/64/03/80/737640380.db2.gz PNNVFPGILSKGKS-VMBJYNEYSA-N 0 3 364.276 3.238 20 30 FGEDHN C#CCN(C(=O)c1cc(-c2ccccc2Cl)on1)C1CCN(C)CC1 ZINC000886583571 739272176 /nfs/dbraw/zinc/27/21/76/739272176.db2.gz VXLVJSUOCGBERI-UHFFFAOYSA-N 0 3 357.841 3.165 20 30 FGEDHN CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000893873542 742207609 /nfs/dbraw/zinc/20/76/09/742207609.db2.gz ABOKGVMCISEYLS-ZWKOTPCHSA-N 0 3 354.479 3.207 20 30 FGEDHN CCN(C)Cc1cc(O[C@H]2CCN(Cc3csc(C#N)c3)C2)ccn1 ZINC000895501620 742420271 /nfs/dbraw/zinc/42/02/71/742420271.db2.gz ZIOWVKZYDUCLRY-SFHVURJKSA-N 0 3 356.495 3.120 20 30 FGEDHN C=CCOc1ccccc1CN1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000898398665 742789082 /nfs/dbraw/zinc/78/90/82/742789082.db2.gz JCAAOUGIELFZHV-VWLOTQADSA-N 0 3 365.543 3.038 20 30 FGEDHN C[C@H](NC[C@@H](CO)Cc1ccccc1Br)c1cc(C#N)ccn1 ZINC000902972373 743794814 /nfs/dbraw/zinc/79/48/14/743794814.db2.gz DDRNANADGSYZAC-ZFWWWQNUSA-N 0 3 374.282 3.218 20 30 FGEDHN C#CCN(C(=O)N[C@H]1CCSc2ccc(F)cc21)C1CCN(C)CC1 ZINC000913957162 757648017 /nfs/dbraw/zinc/64/80/17/757648017.db2.gz HHFZFIGHRROFEU-KRWDZBQOSA-N 0 3 361.486 3.102 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](Cc3nc(C)cs3)C2)CC1 ZINC000917097975 758177255 /nfs/dbraw/zinc/17/72/55/758177255.db2.gz OSCCAHMWBIRHDZ-INIZCTEOSA-N 0 3 362.543 3.066 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000970016565 762866037 /nfs/dbraw/zinc/86/60/37/762866037.db2.gz BZOZQJIFFVXQIW-ZACQAIPSSA-N 0 3 369.292 3.275 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000971555860 762912762 /nfs/dbraw/zinc/91/27/62/762912762.db2.gz LJUJBCSNWHZXBZ-QRVBRYPASA-N 0 3 362.901 3.354 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000985695943 763984201 /nfs/dbraw/zinc/98/42/01/763984201.db2.gz HPEQABMHBJGBIO-RBUKOAKNSA-N 0 3 357.523 3.479 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NCc2cc(F)ccc2Cl)CC1 ZINC000997012805 765039092 /nfs/dbraw/zinc/03/90/92/765039092.db2.gz WNNGHARKTPZUJR-AEFFLSMTSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000998005372 765091747 /nfs/dbraw/zinc/09/17/47/765091747.db2.gz ADCBKUXARAXZFQ-LWSXNJJVSA-N 0 3 354.922 3.423 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2ccc(Cl)cc2F)C1 ZINC000999427441 765160603 /nfs/dbraw/zinc/16/06/03/765160603.db2.gz KGNKXUBJUYMUBV-IOTAOYMUSA-N 0 3 366.864 3.149 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001000233734 765206693 /nfs/dbraw/zinc/20/66/93/765206693.db2.gz WKMZIRRZXRZKTM-NUJGCVRESA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001014471974 765783343 /nfs/dbraw/zinc/78/33/43/765783343.db2.gz UKXSPBYPZUXZDH-OTWHNJEPSA-N 0 3 362.901 3.054 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001020168197 765865876 /nfs/dbraw/zinc/86/58/76/765865876.db2.gz ZWSPMHRLNYAFRV-KONPQCLYSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001028549698 766123683 /nfs/dbraw/zinc/12/36/83/766123683.db2.gz VOBQBFKEYHGVEH-QRQLOZEOSA-N 0 3 362.901 3.259 20 30 FGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)CC1 ZINC001040731883 766321181 /nfs/dbraw/zinc/32/11/81/766321181.db2.gz DBYJGYDPDYHGTO-HZPDHXFCSA-N 0 3 356.432 3.303 20 30 FGEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)C2 ZINC001045942625 766577861 /nfs/dbraw/zinc/57/78/61/766577861.db2.gz WFVCTAFDZZEHAU-OPYAIIAOSA-N 0 3 356.535 3.498 20 30 FGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC001054210642 767002004 /nfs/dbraw/zinc/00/20/04/767002004.db2.gz TZKPPPUCDCDAPA-ZVDOUQERSA-N 0 3 356.897 3.391 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000022817069 257334321 /nfs/dbraw/zinc/33/43/21/257334321.db2.gz JVWIZGDPTMZVHG-MRXNPFEDSA-N 0 3 371.506 3.440 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000591598218 507306671 /nfs/dbraw/zinc/30/66/71/507306671.db2.gz PKZNKTMMMMETTA-QXEWZRGKSA-N 0 3 359.314 3.033 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C[C@@H](C)OC)cc1OC ZINC000577104641 505664663 /nfs/dbraw/zinc/66/46/63/505664663.db2.gz PANWFPJLAHMSFR-GFCCVEGCSA-N 0 3 358.276 3.489 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)c(C(F)(F)F)c1 ZINC000571211091 505680088 /nfs/dbraw/zinc/68/00/88/505680088.db2.gz AAFTTWQFZVRRPY-CQSZACIVSA-N 0 3 364.346 3.480 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2)no1 ZINC000068310156 493794116 /nfs/dbraw/zinc/79/41/16/493794116.db2.gz DSCVDDRAPMPMKJ-UHFFFAOYSA-N 0 3 374.444 3.417 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000068310452 493794686 /nfs/dbraw/zinc/79/46/86/493794686.db2.gz NSKYDDQKQKMXQV-NHCUHLMSSA-N 0 3 365.452 3.391 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(CC#N)c1 ZINC000068312943 493795089 /nfs/dbraw/zinc/79/50/89/493795089.db2.gz PVUWXAZNEPHTJP-UHFFFAOYSA-N 0 3 357.404 3.235 20 30 FGEDHN CN(CCOc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000028845583 493803663 /nfs/dbraw/zinc/80/36/63/493803663.db2.gz FDSDWMJNLRFGGA-UHFFFAOYSA-N 0 3 369.490 3.448 20 30 FGEDHN C=C(C)COc1cc(CNCCNC(=O)c2cccc(C)c2)ccc1OC ZINC000057965976 493818386 /nfs/dbraw/zinc/81/83/86/493818386.db2.gz ZFSSPALEECLQSY-UHFFFAOYSA-N 0 3 368.477 3.478 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000029842196 493861059 /nfs/dbraw/zinc/86/10/59/493861059.db2.gz ZHWJLEWBVUBEHM-UHFFFAOYSA-N 0 3 350.462 3.430 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000081355675 493877839 /nfs/dbraw/zinc/87/78/39/493877839.db2.gz KPDUFDNOODZRAS-GOSISDBHSA-N 0 3 369.431 3.036 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000059002043 493899801 /nfs/dbraw/zinc/89/98/01/493899801.db2.gz VQDJUMUGGXTVKL-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCOC[C@H]3CCOC3)c2)c1 ZINC000068995178 493904360 /nfs/dbraw/zinc/90/43/60/493904360.db2.gz PHAMFJWJQAJULT-NRFANRHFSA-N 0 3 366.461 3.280 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081533054 493911171 /nfs/dbraw/zinc/91/11/71/493911171.db2.gz IJOKYHZJNVVGJK-XLIONFOSSA-N 0 3 362.477 3.092 20 30 FGEDHN CCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051406189 493967650 /nfs/dbraw/zinc/96/76/50/493967650.db2.gz HHODLSKJYFKXII-IBGZPJMESA-N 0 3 354.450 3.023 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCOCCOc2ccccc2)CC1 ZINC000051852259 493990610 /nfs/dbraw/zinc/99/06/10/493990610.db2.gz ZVEQHMDYQLKAAZ-UHFFFAOYSA-N 0 3 365.477 3.166 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000070754778 494053863 /nfs/dbraw/zinc/05/38/63/494053863.db2.gz UXXMFEBIWBUZDN-KKSFZXQISA-N 0 3 368.477 3.268 20 30 FGEDHN COc1ccccc1[C@H]1CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000077318489 494056258 /nfs/dbraw/zinc/05/62/58/494056258.db2.gz RWCBFQSWFWESES-KRWDZBQOSA-N 0 3 352.434 3.444 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000077371800 494068945 /nfs/dbraw/zinc/06/89/45/494068945.db2.gz XHIFUQWHMDZBHM-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN CCN(CCOc1cccc(C#N)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383440 494073266 /nfs/dbraw/zinc/07/32/66/494073266.db2.gz IBCIANDJEHWVRJ-UHFFFAOYSA-N 0 3 351.450 3.161 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)ccc1OC ZINC000077457044 494087330 /nfs/dbraw/zinc/08/73/30/494087330.db2.gz BSJGLQUJEAUXKP-IAGOWNOFSA-N 0 3 367.511 3.096 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CC)Oc2cccc(F)c2)CC1 ZINC000084637804 494089692 /nfs/dbraw/zinc/08/96/92/494089692.db2.gz UFEJXQXXQAGCDB-SFHVURJKSA-N 0 3 363.477 3.323 20 30 FGEDHN C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)c1ccc(C#N)cc1 ZINC000041455727 494163858 /nfs/dbraw/zinc/16/38/58/494163858.db2.gz WJPQMGANCNCLGI-INIZCTEOSA-N 0 3 372.538 3.280 20 30 FGEDHN N#CC(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc2ccccc2n1 ZINC000054430236 494235331 /nfs/dbraw/zinc/23/53/31/494235331.db2.gz UWCKCYIYAOSMHG-MRXNPFEDSA-N 0 3 358.401 3.289 20 30 FGEDHN CN(C)[C@H](CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccco1 ZINC000072726093 494241664 /nfs/dbraw/zinc/24/16/64/494241664.db2.gz XSWOGRLDKNUZNJ-LJQANCHMSA-N 0 3 363.465 3.449 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1ccc2ccccc21 ZINC000065930284 494256966 /nfs/dbraw/zinc/25/69/66/494256966.db2.gz NJHUNJJVOAUBMO-UHFFFAOYSA-N 0 3 360.461 3.103 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000065964332 494262707 /nfs/dbraw/zinc/26/27/07/494262707.db2.gz HCEYDOZADYZBMT-UHFFFAOYSA-N 0 3 369.509 3.488 20 30 FGEDHN CN(CCN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000065971386 494263624 /nfs/dbraw/zinc/26/36/24/494263624.db2.gz DWOODFSJCNNIGX-UHFFFAOYSA-N 0 3 369.918 3.097 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2)C(C)C ZINC000078262404 494265432 /nfs/dbraw/zinc/26/54/32/494265432.db2.gz YEONASFETIUXHD-LJQANCHMSA-N 0 3 370.497 3.391 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000055377880 494334589 /nfs/dbraw/zinc/33/45/89/494334589.db2.gz IGZLSXLPSHIKFK-MRXNPFEDSA-N 0 3 367.449 3.192 20 30 FGEDHN N#CCOc1cccc(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000089695842 494345181 /nfs/dbraw/zinc/34/51/81/494345181.db2.gz GNGGEXKLNSCMMI-OAQYLSRUSA-N 0 3 363.461 3.085 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000015360779 494350611 /nfs/dbraw/zinc/35/06/11/494350611.db2.gz MGUAWCMUPQKORJ-UHFFFAOYSA-N 0 3 369.490 3.023 20 30 FGEDHN N#Cc1csc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000580259743 505715584 /nfs/dbraw/zinc/71/55/84/505715584.db2.gz VDSXOMVUIXRESB-HXUWFJFHSA-N 0 3 366.534 3.012 20 30 FGEDHN CCCc1nc(C)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000044566537 494365841 /nfs/dbraw/zinc/36/58/41/494365841.db2.gz SXWLSIVGFOOSHL-UHFFFAOYSA-N 0 3 370.522 3.480 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000577405565 505721456 /nfs/dbraw/zinc/72/14/56/505721456.db2.gz DUGUYNRXRCSBHU-LIRRHRJNSA-N 0 3 352.438 3.380 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(c3ccccc3)CC2)cc1 ZINC000073895133 494443764 /nfs/dbraw/zinc/44/37/64/494443764.db2.gz NIYVDEDWHGZMPM-OAQYLSRUSA-N 0 3 350.462 3.372 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC000074132567 494486030 /nfs/dbraw/zinc/48/60/30/494486030.db2.gz UYKQTSOVTBDIBR-CQSZACIVSA-N 0 3 369.918 3.135 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)N(C)C)cc1 ZINC000067268802 494504398 /nfs/dbraw/zinc/50/43/98/494504398.db2.gz CGTJHZMLKOJHOO-OXQOHEQNSA-N 0 3 351.450 3.053 20 30 FGEDHN CN(CC(=O)Nc1sccc1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000074322156 494518058 /nfs/dbraw/zinc/51/80/58/494518058.db2.gz FOROQLJYJLHPGC-UHFFFAOYSA-N 0 3 368.506 3.155 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)Cc2c(F)cccc2C#N)N(C)C)cc1 ZINC000574233185 505726217 /nfs/dbraw/zinc/72/62/17/505726217.db2.gz FXAVPSUJHOLUOH-IBGZPJMESA-N 0 3 371.481 3.381 20 30 FGEDHN CCN1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000091166607 494547299 /nfs/dbraw/zinc/54/72/99/494547299.db2.gz AHJVNNDNWBYNMP-UHFFFAOYSA-N 0 3 370.375 3.059 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000067505294 494553726 /nfs/dbraw/zinc/55/37/26/494553726.db2.gz JEHOLBCIONDAEM-HNNXBMFYSA-N 0 3 360.479 3.474 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000046824761 494571238 /nfs/dbraw/zinc/57/12/38/494571238.db2.gz VTELLVVDNPTVDZ-IRXDYDNUSA-N 0 3 373.497 3.105 20 30 FGEDHN CN(CCC#N)C(=O)CCN(Cc1cccc(Br)c1)C1CC1 ZINC000131315019 494580756 /nfs/dbraw/zinc/58/07/56/494580756.db2.gz LLZVJVGLUGWODW-UHFFFAOYSA-N 0 3 364.287 3.176 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(F)c1F ZINC000067681569 494609533 /nfs/dbraw/zinc/60/95/33/494609533.db2.gz HUNQVTDTSIFMEV-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN CC(C)COc1ccc(C(C)(C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000107899728 494621378 /nfs/dbraw/zinc/62/13/78/494621378.db2.gz DRDUYZKWCSTBCL-OAQYLSRUSA-N 0 3 357.498 3.355 20 30 FGEDHN C=CCCC[C@H](C)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000091594137 494623807 /nfs/dbraw/zinc/62/38/07/494623807.db2.gz AOEKWBHWABBSOP-SFHVURJKSA-N 0 3 359.514 3.386 20 30 FGEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000126085060 494631190 /nfs/dbraw/zinc/63/11/90/494631190.db2.gz ACFDCGURPUZOEZ-QAPCUYQASA-N 0 3 351.454 3.193 20 30 FGEDHN Cc1csc(N2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 ZINC000092481723 494640720 /nfs/dbraw/zinc/64/07/20/494640720.db2.gz UDJAKGGSUGLZPU-INIZCTEOSA-N 0 3 356.495 3.455 20 30 FGEDHN CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092710245 494724064 /nfs/dbraw/zinc/72/40/64/494724064.db2.gz QFOCKUKOOOJZEX-LJQANCHMSA-N 0 3 357.498 3.497 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2ccccc2OC(F)F)CC1 ZINC000108706361 494767278 /nfs/dbraw/zinc/76/72/78/494767278.db2.gz SAWQSCITNYKCIJ-MRXNPFEDSA-N 0 3 350.409 3.201 20 30 FGEDHN CC[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000025867999 494784822 /nfs/dbraw/zinc/78/48/22/494784822.db2.gz SCTMGRYEONANGO-WIYYLYMNSA-N 0 3 354.450 3.242 20 30 FGEDHN C=CCC[C@@H](O)C[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000126609691 494801962 /nfs/dbraw/zinc/80/19/62/494801962.db2.gz ZBYLIKNPAHLVKQ-LJQANCHMSA-N 0 3 374.506 3.246 20 30 FGEDHN C=CCC[C@@H](O)C[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000126609691 494801965 /nfs/dbraw/zinc/80/19/65/494801965.db2.gz ZBYLIKNPAHLVKQ-LJQANCHMSA-N 0 3 374.506 3.246 20 30 FGEDHN Cc1cc(N2CCN(c3ccncc3)CC2)n2c3ccccc3nc2c1C#N ZINC000026137213 494804509 /nfs/dbraw/zinc/80/45/09/494804509.db2.gz DHYSFEPWLQBOAE-UHFFFAOYSA-N 0 3 368.444 3.389 20 30 FGEDHN C[C@H]1CN(CCC2CCN(Cc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000121693389 494839006 /nfs/dbraw/zinc/83/90/06/494839006.db2.gz LNBVCIXJXIJBHZ-IRXDYDNUSA-N 0 3 359.489 3.409 20 30 FGEDHN COc1cc(CN(C)[C@@H]2CCOC2)ccc1OCc1cccc(C#N)c1 ZINC000116879054 494866168 /nfs/dbraw/zinc/86/61/68/494866168.db2.gz AJWLAAYNEBQSPQ-LJQANCHMSA-N 0 3 352.434 3.367 20 30 FGEDHN COc1ccc(OC)c([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000126961779 494868837 /nfs/dbraw/zinc/86/88/37/494868837.db2.gz JHXGWPCQKRRACD-PMACEKPBSA-N 0 3 352.434 3.446 20 30 FGEDHN COc1ccc(OC)c([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000126962020 494869005 /nfs/dbraw/zinc/86/90/05/494869005.db2.gz JHXGWPCQKRRACD-UXHICEINSA-N 0 3 352.434 3.446 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000116908432 494869412 /nfs/dbraw/zinc/86/94/12/494869412.db2.gz AFMLKHDFUCDENE-HOCLYGCPSA-N 0 3 357.479 3.022 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000093532099 494897586 /nfs/dbraw/zinc/89/75/86/494897586.db2.gz JSGJWZUKBNTIHY-KRWDZBQOSA-N 0 3 355.482 3.202 20 30 FGEDHN C=CCCOCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000127212169 494910446 /nfs/dbraw/zinc/91/04/46/494910446.db2.gz FWAWZRMQNNNEEO-DOTOQJQBSA-N 0 3 351.516 3.023 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000127277504 494921310 /nfs/dbraw/zinc/92/13/10/494921310.db2.gz ZIJLJXUWWYPURS-UHFFFAOYSA-N 0 3 371.868 3.265 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@H](CC(N)=O)C2)c1 ZINC000093809227 494923313 /nfs/dbraw/zinc/92/33/13/494923313.db2.gz MTPPAKHNMMPTDP-GOSISDBHSA-N 0 3 363.461 3.225 20 30 FGEDHN COc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1OCCCC#N ZINC000093870523 494929757 /nfs/dbraw/zinc/92/97/57/494929757.db2.gz DWXGATSOUQIABK-GOSISDBHSA-N 0 3 368.481 3.176 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000118481741 495005807 /nfs/dbraw/zinc/00/58/07/495005807.db2.gz FNCMFZRLKWXSRN-WMZOPIPTSA-N 0 3 351.535 3.167 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097359749 495032557 /nfs/dbraw/zinc/03/25/57/495032557.db2.gz NKHZVDQMCQUOGC-OAHLLOKOSA-N 0 3 367.415 3.231 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1F ZINC000097473068 495035668 /nfs/dbraw/zinc/03/56/68/495035668.db2.gz HJESIILTNRXYTF-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN N#CCc1cc(Cl)ccc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000577586704 505759352 /nfs/dbraw/zinc/75/93/52/505759352.db2.gz VMLUKFWWKNKLQZ-UHFFFAOYSA-N 0 3 361.873 3.380 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2ccco2)C1)C(C)C ZINC000128828277 495156269 /nfs/dbraw/zinc/15/62/69/495156269.db2.gz SRDQLOSEHOKTHG-HKUYNNGSSA-N 0 3 361.486 3.061 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000119567511 495192551 /nfs/dbraw/zinc/19/25/51/495192551.db2.gz AURPGVVQGBKHGU-FQEVSTJZSA-N 0 3 356.514 3.313 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000129133187 495201613 /nfs/dbraw/zinc/20/16/13/495201613.db2.gz BFEXOBZHVOMZQL-DOTOQJQBSA-N 0 3 357.845 3.120 20 30 FGEDHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000119692554 495219571 /nfs/dbraw/zinc/21/95/71/495219571.db2.gz QVZIBXKNRZVBPF-RHSMWYFYSA-N 0 3 361.461 3.397 20 30 FGEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1Cl ZINC000119850365 495254792 /nfs/dbraw/zinc/25/47/92/495254792.db2.gz XTHQUZSXWYMYQJ-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000119928617 495271925 /nfs/dbraw/zinc/27/19/25/495271925.db2.gz GIXHMYWDDPHTDQ-UWJYYQICSA-N 0 3 359.473 3.492 20 30 FGEDHN CN(C(=O)COc1ccccc1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000113092724 495274212 /nfs/dbraw/zinc/27/42/12/495274212.db2.gz DAFJIOSMVMRCSB-UHFFFAOYSA-N 0 3 363.461 3.060 20 30 FGEDHN N#CCCn1cc(CNC[C@@H](O)C2CCCCC2)c(-c2ccccc2)n1 ZINC000113334838 495298110 /nfs/dbraw/zinc/29/81/10/495298110.db2.gz MQPLAULBYGSSTK-HXUWFJFHSA-N 0 3 352.482 3.495 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccs1 ZINC000129871526 495308152 /nfs/dbraw/zinc/30/81/52/495308152.db2.gz BOHBXEFSSIFLSP-OXJNMPFZSA-N 0 3 369.490 3.198 20 30 FGEDHN CN1CCC[C@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccs1 ZINC000129871298 495308559 /nfs/dbraw/zinc/30/85/59/495308559.db2.gz BOHBXEFSSIFLSP-OXQOHEQNSA-N 0 3 369.490 3.198 20 30 FGEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000574445530 505775295 /nfs/dbraw/zinc/77/52/95/505775295.db2.gz IJABJYUNBHBABQ-AWEZNQCLSA-N 0 3 367.415 3.262 20 30 FGEDHN C[C@@](O)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000114508737 495387052 /nfs/dbraw/zinc/38/70/52/495387052.db2.gz XPOZTOJSWAHWGV-JOCHJYFZSA-N 0 3 360.461 3.461 20 30 FGEDHN C[C@@]1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCCc2ccccc21 ZINC000571634256 505779236 /nfs/dbraw/zinc/77/92/36/505779236.db2.gz LGWUVPCRCKJEFQ-NRFANRHFSA-N 0 3 368.502 3.216 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2cncn2)cc1)c1nc(-c2ccncc2)cs1 ZINC000114620587 495399498 /nfs/dbraw/zinc/39/94/98/495399498.db2.gz MQLIRJIAEDNFMT-MRXNPFEDSA-N 0 3 372.413 3.276 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)CC1 ZINC000106036549 495406182 /nfs/dbraw/zinc/40/61/82/495406182.db2.gz YZANQDNXDZGSCR-BEFAXECRSA-N 0 3 355.482 3.051 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)CC1 ZINC000106036565 495406251 /nfs/dbraw/zinc/40/62/51/495406251.db2.gz WBQZZDRKGJIIBN-KXBFYZLASA-N 0 3 355.482 3.051 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000106037573 495406375 /nfs/dbraw/zinc/40/63/75/495406375.db2.gz WCXVBODPFBBNAP-UHFFFAOYSA-N 0 3 353.466 3.349 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114791746 495425855 /nfs/dbraw/zinc/42/58/55/495425855.db2.gz BJJRFRUIURTQPN-NRFANRHFSA-N 0 3 362.477 3.364 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000574475511 505781506 /nfs/dbraw/zinc/78/15/06/505781506.db2.gz XTZVKRRMGMAWED-CKVGWXAMSA-N 0 3 354.498 3.451 20 30 FGEDHN CSCC[N-]C(=S)C(C(=O)c1ccc(C)s1)[n+]1ccccc1 ZINC000131269439 495514885 /nfs/dbraw/zinc/51/48/85/495514885.db2.gz PJTXERSGWBYGBX-UHFFFAOYSA-O 0 3 351.542 3.235 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179341906 495550560 /nfs/dbraw/zinc/55/05/60/495550560.db2.gz IUMVDNXKHIHNMO-IBGZPJMESA-N 0 3 355.482 3.107 20 30 FGEDHN COC(=O)[C@@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000154393956 495603068 /nfs/dbraw/zinc/60/30/68/495603068.db2.gz RTFLZLPMYDRXRB-YPMHNXCESA-N 0 3 360.460 3.281 20 30 FGEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CC1CCC(C(F)(F)F)CC1 ZINC000185521481 495608270 /nfs/dbraw/zinc/60/82/70/495608270.db2.gz JOLZTPVXLPUIFE-NFOMZHRRSA-N 0 3 367.419 3.227 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1OC ZINC000154522635 495642177 /nfs/dbraw/zinc/64/21/77/495642177.db2.gz UJXOWRJPPIZAEE-UHFFFAOYSA-N 0 3 358.482 3.351 20 30 FGEDHN CCN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159118407 495663473 /nfs/dbraw/zinc/66/34/73/495663473.db2.gz YTSOWFMZHWSGLH-NRFANRHFSA-N 0 3 362.477 3.364 20 30 FGEDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc(C#N)cc1 ZINC000179624882 495665937 /nfs/dbraw/zinc/66/59/37/495665937.db2.gz JTHZDNJKKJLEGE-LJQANCHMSA-N 0 3 372.856 3.382 20 30 FGEDHN Cc1nccn1CCCN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000159212838 495684907 /nfs/dbraw/zinc/68/49/07/495684907.db2.gz HAEOBMPUQALOBW-UHFFFAOYSA-N 0 3 367.497 3.077 20 30 FGEDHN C[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1cccc(C#N)c1 ZINC000179759671 495722102 /nfs/dbraw/zinc/72/21/02/495722102.db2.gz QAXODTVTCHIECO-INIZCTEOSA-N 0 3 362.477 3.429 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000179777549 495731564 /nfs/dbraw/zinc/73/15/64/495731564.db2.gz CVMFWJLAURMSGF-WMZOPIPTSA-N 0 3 361.449 3.400 20 30 FGEDHN COc1ccccc1C[C@@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000185890195 495767105 /nfs/dbraw/zinc/76/71/05/495767105.db2.gz NDFJLIHYFBSHDB-MRXNPFEDSA-N 0 3 357.479 3.424 20 30 FGEDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000151367496 495817506 /nfs/dbraw/zinc/81/75/06/495817506.db2.gz LBOCZJAIGLNVGI-CQSZACIVSA-N 0 3 353.422 3.082 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000180026973 495828458 /nfs/dbraw/zinc/82/84/58/495828458.db2.gz COCHYHOJGVOMBZ-MAUKXSAKSA-N 0 3 352.438 3.402 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000180026986 495829165 /nfs/dbraw/zinc/82/91/65/495829165.db2.gz COCHYHOJGVOMBZ-CRAIPNDOSA-N 0 3 352.438 3.402 20 30 FGEDHN CN(C)[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1cccs1 ZINC000180030829 495829724 /nfs/dbraw/zinc/82/97/24/495829724.db2.gz HXNBAELEGPCRDF-GOSISDBHSA-N 0 3 365.506 3.413 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)Nc2sccc2C#N)cc1 ZINC000183154159 495857644 /nfs/dbraw/zinc/85/76/44/495857644.db2.gz OAUQZMJXZABSLZ-CYBMUJFWSA-N 0 3 365.462 3.403 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183198500 495876325 /nfs/dbraw/zinc/87/63/25/495876325.db2.gz JGWKCCKYTRHQLI-UHFFFAOYSA-N 0 3 364.371 3.489 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000171604429 495945863 /nfs/dbraw/zinc/94/58/63/495945863.db2.gz QUYVLBLUNFDIRE-WOJBJXKFSA-N 0 3 357.498 3.246 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)CCC(=O)NCC1CCCCC1 ZINC000577895403 505813783 /nfs/dbraw/zinc/81/37/83/505813783.db2.gz IMYCSNCNDHAHSZ-UHFFFAOYSA-N 0 3 357.498 3.093 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000171637520 495959256 /nfs/dbraw/zinc/95/92/56/495959256.db2.gz PWJUVQMKSMEAQR-UHFFFAOYSA-N 0 3 374.554 3.007 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)cc1 ZINC000151860961 495972720 /nfs/dbraw/zinc/97/27/20/495972720.db2.gz PADPYHROQNMGGB-HXUWFJFHSA-N 0 3 363.461 3.391 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000155568998 495998088 /nfs/dbraw/zinc/99/80/88/495998088.db2.gz IBJYVDQIMOSDKI-UHFFFAOYSA-N 0 3 355.482 3.052 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CC1 ZINC000171716825 496004552 /nfs/dbraw/zinc/00/45/52/496004552.db2.gz XWJMUSKUSQWOGF-UHFFFAOYSA-N 0 3 367.497 3.079 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000171738115 496014367 /nfs/dbraw/zinc/01/43/67/496014367.db2.gz VWDMTSCDLDPHFN-UHFFFAOYSA-N 0 3 367.497 3.102 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000171740838 496015691 /nfs/dbraw/zinc/01/56/91/496015691.db2.gz MFJHNTIXCOPSSX-UHFFFAOYSA-N 0 3 368.437 3.304 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000171740126 496016216 /nfs/dbraw/zinc/01/62/16/496016216.db2.gz ANEFXZSUVBWMTR-UHFFFAOYSA-N 0 3 370.497 3.085 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000580703653 505818836 /nfs/dbraw/zinc/81/88/36/505818836.db2.gz HHTHVMUASJSGOG-ICSRJNTNSA-N 0 3 352.482 3.252 20 30 FGEDHN COc1cc(C#N)ccc1OCCNC(C)(C)c1nc2ccccc2n1C ZINC000186562119 496045932 /nfs/dbraw/zinc/04/59/32/496045932.db2.gz NRNWYKFDBRDYTQ-UHFFFAOYSA-N 0 3 364.449 3.357 20 30 FGEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000174664922 496051033 /nfs/dbraw/zinc/05/10/33/496051033.db2.gz TUUBYSQIVLVFEH-UHFFFAOYSA-N 0 3 351.406 3.138 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(O[C@H](C)CC)c2)CC1 ZINC000180618393 496070981 /nfs/dbraw/zinc/07/09/81/496070981.db2.gz VVTJCPCCKKTXDD-MRXNPFEDSA-N 0 3 360.502 3.099 20 30 FGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OC)c(OC)c2C)n1 ZINC000568969415 505821418 /nfs/dbraw/zinc/82/14/18/505821418.db2.gz JUKAGBHFHSROAL-GFCCVEGCSA-N 0 3 374.418 3.136 20 30 FGEDHN C[C@H]1CN(CCC2CCN(CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000155888892 496099165 /nfs/dbraw/zinc/09/91/65/496099165.db2.gz SXIMNRULDRTPDZ-OALUTQOASA-N 0 3 358.501 3.389 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000177796169 496199887 /nfs/dbraw/zinc/19/98/87/496199887.db2.gz YOJCVPDXIUHDCL-SJORKVTESA-N 0 3 356.470 3.436 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186938833 496219967 /nfs/dbraw/zinc/21/99/67/496219967.db2.gz YTWJHJKGOFCQJC-UHFFFAOYSA-N 0 3 354.425 3.146 20 30 FGEDHN Cn1cnc(-c2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000181047492 496252955 /nfs/dbraw/zinc/25/29/55/496252955.db2.gz INYKITVIEQRCRS-UHFFFAOYSA-N 0 3 372.476 3.430 20 30 FGEDHN CCC(CC)(CNCc1ccc(C#N)cc1Br)C(=O)OC ZINC000181189078 496304778 /nfs/dbraw/zinc/30/47/78/496304778.db2.gz ZOVFEOONAFSIJP-UHFFFAOYSA-N 0 3 353.260 3.390 20 30 FGEDHN C=CC[C@@H](CO)NCc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000184273125 496313809 /nfs/dbraw/zinc/31/38/09/496313809.db2.gz ZTXCNTMIJRCVPM-SFHVURJKSA-N 0 3 351.450 3.248 20 30 FGEDHN C=CC[C@H](CO)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000184286027 496319362 /nfs/dbraw/zinc/31/93/62/496319362.db2.gz DRZPLFWIVNOAEO-SNVBAGLBSA-N 0 3 366.202 3.086 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000178162959 496351987 /nfs/dbraw/zinc/35/19/87/496351987.db2.gz RTEXBCZFKCSUOR-UHFFFAOYSA-N 0 3 356.470 3.439 20 30 FGEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1(O)CCCCCC1 ZINC000187327913 496395956 /nfs/dbraw/zinc/39/59/56/496395956.db2.gz IOJOIDFBKPQBEY-UHFFFAOYSA-N 0 3 352.482 3.476 20 30 FGEDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000178322286 496412545 /nfs/dbraw/zinc/41/25/45/496412545.db2.gz KHHBTNHREUHQDH-DNVCBOLYSA-N 0 3 373.497 3.217 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H](C)[C@@H]2CCOC2)c1C#N ZINC000162924203 496434054 /nfs/dbraw/zinc/43/40/54/496434054.db2.gz YRZOBZGDWZGBEQ-DOTOQJQBSA-N 0 3 372.513 3.435 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccco2)c2ccccc2OC)CC1 ZINC000178384106 496435948 /nfs/dbraw/zinc/43/59/48/496435948.db2.gz LGLBWMPFOGRQAB-FQEVSTJZSA-N 0 3 369.465 3.327 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2-n2nccc2C)CC1 ZINC000184568784 496443630 /nfs/dbraw/zinc/44/36/30/496443630.db2.gz ONXVPYKSWQHLEZ-UHFFFAOYSA-N 0 3 353.470 3.343 20 30 FGEDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181575301 496452410 /nfs/dbraw/zinc/45/24/10/496452410.db2.gz NKHVCFSRLZFOOZ-MRXNPFEDSA-N 0 3 371.506 3.237 20 30 FGEDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)C(=O)N(CCC#N)c1ccccc1 ZINC000163023263 496452892 /nfs/dbraw/zinc/45/28/92/496452892.db2.gz YAEJILFNEYAODV-ZWOKBUDYSA-N 0 3 363.461 3.476 20 30 FGEDHN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C#N)cc1 ZINC000184687083 496493334 /nfs/dbraw/zinc/49/33/34/496493334.db2.gz XCVZTLLSPWZJLG-CQSZACIVSA-N 0 3 373.453 3.088 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000157612582 496515643 /nfs/dbraw/zinc/51/56/43/496515643.db2.gz ZETKGSIXABKHFY-AWEZNQCLSA-N 0 3 353.470 3.498 20 30 FGEDHN COCCCN(C)CCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000173114949 496555500 /nfs/dbraw/zinc/55/55/00/496555500.db2.gz UISIAWMHGOJSNZ-OAHLLOKOSA-N 0 3 364.515 3.028 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000157807633 496560351 /nfs/dbraw/zinc/56/03/51/496560351.db2.gz RXFXRRHXJBNCBZ-MSOLQXFVSA-N 0 3 356.470 3.436 20 30 FGEDHN CSCC[N-]C(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1 ZINC000178904034 496611982 /nfs/dbraw/zinc/61/19/82/496611982.db2.gz NOSRKFNNHWFULJ-UHFFFAOYSA-O 0 3 371.551 3.354 20 30 FGEDHN C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000182001595 496630260 /nfs/dbraw/zinc/63/02/60/496630260.db2.gz BOXQCPXNEWYFGT-MRXNPFEDSA-N 0 3 358.463 3.104 20 30 FGEDHN CCN(CC)c1ccc(/C=N/[C@@H]2CS(=O)(=O)c3ccccc32)c(O)c1 ZINC000158258960 496661491 /nfs/dbraw/zinc/66/14/91/496661491.db2.gz OJDLKHAYKRVLGZ-XNHPLOEXSA-N 0 3 358.463 3.186 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000182174032 496696799 /nfs/dbraw/zinc/69/67/99/496696799.db2.gz JPVKCBBWKIQDTL-AWEZNQCLSA-N 0 3 352.400 3.098 20 30 FGEDHN CN(C)c1noc([C@H]2CCCN(Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000194943178 496769535 /nfs/dbraw/zinc/76/95/35/496769535.db2.gz VMUOVTMVVRDMER-KRWDZBQOSA-N 0 3 369.469 3.198 20 30 FGEDHN Cn1cc(CNC(C)(C)COc2ccc(C(F)(F)F)cn2)cc1C#N ZINC000191457575 496769924 /nfs/dbraw/zinc/76/99/24/496769924.db2.gz BFLDCBJSVFYKEX-UHFFFAOYSA-N 0 3 352.360 3.258 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC000188472260 496800681 /nfs/dbraw/zinc/80/06/81/496800681.db2.gz XHFMALUVOJSNFZ-RDJZCZTQSA-N 0 3 351.425 3.480 20 30 FGEDHN CCOC(=O)c1csc(C2CCN(CCCSCC#N)CC2)n1 ZINC000191568699 496816464 /nfs/dbraw/zinc/81/64/64/496816464.db2.gz KSPAKPYJPWFJNR-UHFFFAOYSA-N 0 3 353.513 3.146 20 30 FGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1C(C)(C)C ZINC000195141929 496832735 /nfs/dbraw/zinc/83/27/35/496832735.db2.gz XFZARLLUSQJGLG-UHFFFAOYSA-N 0 3 367.497 3.022 20 30 FGEDHN C[C@@H](Oc1cccc(F)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000195142197 496833733 /nfs/dbraw/zinc/83/37/33/496833733.db2.gz BVTJXALAADHEBP-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000264354225 496879728 /nfs/dbraw/zinc/87/97/28/496879728.db2.gz MTEQNGTVSBWYTC-UHFFFAOYSA-N 0 3 365.481 3.012 20 30 FGEDHN CCN1CCN(c2cccc(NCc3ccc(OC)c(C#N)c3)c2)CC1 ZINC000191884383 496919451 /nfs/dbraw/zinc/91/94/51/496919451.db2.gz ZBHUWBUAFQFZHP-UHFFFAOYSA-N 0 3 350.466 3.321 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273917025 496956471 /nfs/dbraw/zinc/95/64/71/496956471.db2.gz DXJFRWOLFUULCI-UHFFFAOYSA-N 0 3 363.433 3.168 20 30 FGEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000569223276 505882666 /nfs/dbraw/zinc/88/26/66/505882666.db2.gz WEQBSSXMRJLZIM-SJKOYZFVSA-N 0 3 355.829 3.120 20 30 FGEDHN CC[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(C#N)cc1 ZINC000278196733 497033696 /nfs/dbraw/zinc/03/36/96/497033696.db2.gz FYIPNZLGXLRDBQ-JXFKEZNVSA-N 0 3 350.466 3.419 20 30 FGEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)OCC ZINC000270015795 497041620 /nfs/dbraw/zinc/04/16/20/497041620.db2.gz HEUGJMSIJQVGEM-QUCCMNQESA-N 0 3 372.509 3.462 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000270058737 497049480 /nfs/dbraw/zinc/04/94/80/497049480.db2.gz WLINKTKPLXTWOI-MTFMMBMASA-N 0 3 367.493 3.177 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000248790570 497104550 /nfs/dbraw/zinc/10/45/50/497104550.db2.gz ITNCJOMNFCFWNW-MGPUTAFESA-N 0 3 366.440 3.017 20 30 FGEDHN COc1ccc([C@H](NC[C@H](O)COc2ccc(C#N)cc2)C2CC2)cc1 ZINC000192476082 497127133 /nfs/dbraw/zinc/12/71/33/497127133.db2.gz UNWMHILPYHPTID-GHTZIAJQSA-N 0 3 352.434 3.047 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000278523256 497142969 /nfs/dbraw/zinc/14/29/69/497142969.db2.gz CXAOYYAPEYNJAK-LBPRGKRZSA-N 0 3 361.467 3.025 20 30 FGEDHN COc1ccc(Br)cc1CNCCOc1ccc(C#N)cc1 ZINC000237131652 497195801 /nfs/dbraw/zinc/19/58/01/497195801.db2.gz BWBXLIFJVHLCAW-UHFFFAOYSA-N 0 3 361.239 3.498 20 30 FGEDHN CN(C)c1ccccc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278715215 497198689 /nfs/dbraw/zinc/19/86/89/497198689.db2.gz SDAUBURAQCEPNR-UHFFFAOYSA-N 0 3 360.465 3.215 20 30 FGEDHN CO[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278726586 497201446 /nfs/dbraw/zinc/20/14/46/497201446.db2.gz TZWLJQZIZGWDNQ-FQEVSTJZSA-N 0 3 361.449 3.336 20 30 FGEDHN CC(C)c1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)no1 ZINC000266354276 497313369 /nfs/dbraw/zinc/31/33/69/497313369.db2.gz FSLDZKJQCVPJMM-UHFFFAOYSA-N 0 3 355.442 3.265 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000271328358 497322400 /nfs/dbraw/zinc/32/24/00/497322400.db2.gz FHAKLTUVPXXDGL-HNAYVOBHSA-N 0 3 363.477 3.241 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc[nH]2)c(OC)c1 ZINC000255356891 497365318 /nfs/dbraw/zinc/36/53/18/497365318.db2.gz OQSNRDUWXCSUDF-HKUYNNGSSA-N 0 3 356.466 3.329 20 30 FGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCSCc1ccccc1C#N ZINC000255958854 497382022 /nfs/dbraw/zinc/38/20/22/497382022.db2.gz SCCANVLBAWZAAS-DLBZAZTESA-N 0 3 374.554 3.211 20 30 FGEDHN CCc1cccc2c1OCC[C@H]2NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279261027 497385981 /nfs/dbraw/zinc/38/59/81/497385981.db2.gz IDHBXAWCZCSMBZ-UYAOXDASSA-N 0 3 359.429 3.443 20 30 FGEDHN CN(C[C@H]1OCCc2ccccc21)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279267331 497387556 /nfs/dbraw/zinc/38/75/56/497387556.db2.gz IVIXOLGVGVDAJV-TZIWHRDSSA-N 0 3 359.429 3.013 20 30 FGEDHN C[C@@H](NCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000271662212 497412057 /nfs/dbraw/zinc/41/20/57/497412057.db2.gz LICHOCSUJIKSEW-OAHLLOKOSA-N 0 3 358.463 3.081 20 30 FGEDHN Cc1cnc(CCN(C)Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000279348040 497413688 /nfs/dbraw/zinc/41/36/88/497413688.db2.gz FUGFIGOAAFXXEV-UHFFFAOYSA-N 0 3 366.494 3.298 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000193589606 497421395 /nfs/dbraw/zinc/42/13/95/497421395.db2.gz KBZBTUMIAJROFB-SFHVURJKSA-N 0 3 352.438 3.381 20 30 FGEDHN C=CCc1cc(CN2CCNC[C@@H]2c2cccc(F)c2)cc(OC)c1O ZINC000261737310 497441618 /nfs/dbraw/zinc/44/16/18/497441618.db2.gz OSSYMWDROULJIS-LJQANCHMSA-N 0 3 356.441 3.415 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000279583696 497478436 /nfs/dbraw/zinc/47/84/36/497478436.db2.gz QVFSQSFNSDDXCX-MAODMQOUSA-N 0 3 359.429 3.229 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279871670 497571723 /nfs/dbraw/zinc/57/17/23/497571723.db2.gz UBEVULKHQGICHZ-UHFFFAOYSA-N 0 3 365.477 3.358 20 30 FGEDHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000190683671 497572529 /nfs/dbraw/zinc/57/25/29/497572529.db2.gz NUSGVNHGWHXFFR-SFHVURJKSA-N 0 3 367.415 3.425 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CCCCO)cc1OC ZINC000276632762 497616826 /nfs/dbraw/zinc/61/68/26/497616826.db2.gz JQAHGGVUSAHDFM-UHFFFAOYSA-N 0 3 358.276 3.227 20 30 FGEDHN COc1cccc([C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000194424662 497662378 /nfs/dbraw/zinc/66/23/78/497662378.db2.gz XGEWICIZPCLXNC-KRWDZBQOSA-N 0 3 365.477 3.261 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000272719210 497712652 /nfs/dbraw/zinc/71/26/52/497712652.db2.gz BNJHSRRFRQIGKD-UHFFFAOYSA-N 0 3 372.513 3.305 20 30 FGEDHN Cn1cc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1C#N ZINC000191214903 497745713 /nfs/dbraw/zinc/74/57/13/497745713.db2.gz OSIVHKHIDAYLAP-SFHVURJKSA-N 0 3 354.454 3.252 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2nn(-c3c(F)cccc3F)cc2C)CC1 ZINC000191276307 497765384 /nfs/dbraw/zinc/76/53/84/497765384.db2.gz VEJHAIREVGQJBN-UHFFFAOYSA-N 0 3 374.435 3.229 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1cccs1 ZINC000246708980 497802301 /nfs/dbraw/zinc/80/23/01/497802301.db2.gz KCPKHYCDOWDZKP-PBHICJAKSA-N 0 3 372.498 3.063 20 30 FGEDHN N#Cc1cc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ccc1F ZINC000288529023 497823085 /nfs/dbraw/zinc/82/30/85/497823085.db2.gz UMXBKNYLUYPAJQ-QFIPXVFZSA-N 0 3 363.436 3.436 20 30 FGEDHN C[C@H]1N(CC(=O)NCc2cnn(-c3ccccc3)c2)CCC12CCOCC2 ZINC000329655943 497859074 /nfs/dbraw/zinc/85/90/74/497859074.db2.gz FZLYZVKOBYZZAW-QGZVFWFLSA-N 0 3 368.481 3.220 20 30 FGEDHN CCc1c(NC(=O)NC2CCN(C3CC3)CC2)cnn1-c1ccccc1 ZINC000329781532 497898578 /nfs/dbraw/zinc/89/85/78/497898578.db2.gz SVPVUXMYWKVLEM-UHFFFAOYSA-N 0 3 353.470 3.387 20 30 FGEDHN COCCN(C)CC[C@@H](Nc1nccc(C#N)c1Cl)c1ccccc1 ZINC000569486622 505946607 /nfs/dbraw/zinc/94/66/07/505946607.db2.gz YHOLCHDMAYEVJE-QGZVFWFLSA-N 0 3 358.873 3.150 20 30 FGEDHN COCC[C@@H]1CCCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329812099 497910280 /nfs/dbraw/zinc/91/02/80/497910280.db2.gz CENKWVQOLXRHII-AZUAARDMSA-N 0 3 355.482 3.192 20 30 FGEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000284842520 497919009 /nfs/dbraw/zinc/91/90/09/497919009.db2.gz SSFFIFODICBLOP-HNNXBMFYSA-N 0 3 358.463 3.081 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000280842026 497919253 /nfs/dbraw/zinc/91/92/53/497919253.db2.gz PEFXZGVIZHNZMI-FGZHOGPDSA-N 0 3 372.472 3.021 20 30 FGEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000292228036 497930197 /nfs/dbraw/zinc/93/01/97/497930197.db2.gz KMKHGZOERLATFF-IBGZPJMESA-N 0 3 370.541 3.045 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000280904747 497943040 /nfs/dbraw/zinc/94/30/40/497943040.db2.gz GGYSQOYYAXAGBE-NRDMVMEKSA-N 0 3 371.525 3.177 20 30 FGEDHN C=CCN1CCC(Nc2ncnc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000301162444 497979220 /nfs/dbraw/zinc/97/92/20/497979220.db2.gz GMNNWPVVLOIMIS-UHFFFAOYSA-N 0 3 360.483 3.239 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000285057372 497982224 /nfs/dbraw/zinc/98/22/24/497982224.db2.gz IBIZSBZEDKIVJB-UWVGGRQHSA-N 0 3 350.267 3.160 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000301174119 497983888 /nfs/dbraw/zinc/98/38/88/497983888.db2.gz LEWYKFUONCLPLH-UHFFFAOYSA-N 0 3 366.444 3.383 20 30 FGEDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CCCc2c[nH]nc21 ZINC000330086436 498016601 /nfs/dbraw/zinc/01/66/01/498016601.db2.gz SCUMKIRATPNLJJ-QZTJIDSGSA-N 0 3 353.470 3.128 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000296400489 498028282 /nfs/dbraw/zinc/02/82/82/498028282.db2.gz IUGZJAYWLPKPSK-UMGGQSCQSA-N 0 3 354.498 3.421 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1 ZINC000296412430 498033165 /nfs/dbraw/zinc/03/31/65/498033165.db2.gz VGOFSGYSZKXPFF-UHOSZYNNSA-N 0 3 373.884 3.134 20 30 FGEDHN CN1CCC(n2ccc(NC(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)n2)CC1 ZINC000330205135 498060736 /nfs/dbraw/zinc/06/07/36/498060736.db2.gz DFZAVEDSPWRUKC-GVDBMIGSSA-N 0 3 359.518 3.257 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(NC[C@@H](C(C)C)N3CCN(C)CC3)c2c1 ZINC000301383287 498085596 /nfs/dbraw/zinc/08/55/96/498085596.db2.gz VPLHMNXYQWKXRG-FQEVSTJZSA-N 0 3 365.525 3.407 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000330270098 498087912 /nfs/dbraw/zinc/08/79/12/498087912.db2.gz SWJKDOVWEPSZRM-LULLPPNCSA-N 0 3 370.497 3.319 20 30 FGEDHN CC[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1C[C@H](C)O ZINC000301402264 498094605 /nfs/dbraw/zinc/09/46/05/498094605.db2.gz JKJSOQGJJRGTJS-BBRMVZONSA-N 0 3 358.873 3.041 20 30 FGEDHN Cn1cc(-c2ccc(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)s2)cn1 ZINC000292686483 498109312 /nfs/dbraw/zinc/10/93/12/498109312.db2.gz BCINJBNPBQPYAS-MRXNPFEDSA-N 0 3 365.462 3.069 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)CCN1C ZINC000330409875 498126908 /nfs/dbraw/zinc/12/69/08/498126908.db2.gz QUDZSPYNUNTWMQ-DGCLKSJQSA-N 0 3 352.866 3.234 20 30 FGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000281431432 498148302 /nfs/dbraw/zinc/14/83/02/498148302.db2.gz ZNUAEQZANIGEFE-UHFFFAOYSA-N 0 3 365.315 3.493 20 30 FGEDHN C=CCOCCN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000292815424 498156262 /nfs/dbraw/zinc/15/62/62/498156262.db2.gz NNSCXMPSOHRURI-UHFFFAOYSA-N 0 3 367.287 3.302 20 30 FGEDHN CCn1cnnc1[C@@H]1CCCN(Cc2cccn2Cc2ccccc2C#N)C1 ZINC000364855493 498176008 /nfs/dbraw/zinc/17/60/08/498176008.db2.gz ROSYKYJQCLSBOO-HXUWFJFHSA-N 0 3 374.492 3.399 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000581457837 505992829 /nfs/dbraw/zinc/99/28/29/505992829.db2.gz OOJFCGGETNPHIZ-IPELMVKDSA-N 0 3 363.933 3.488 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)nc1 ZINC000301621612 498192827 /nfs/dbraw/zinc/19/28/27/498192827.db2.gz NJZBSKIBISWJDZ-VQIMIIECSA-N 0 3 350.466 3.072 20 30 FGEDHN CN(CCC#N)c1ccc(CNCc2cccc(N3CCOCC3)c2)cc1 ZINC000293013852 498235213 /nfs/dbraw/zinc/23/52/13/498235213.db2.gz PYELRCYMNPSKMQ-UHFFFAOYSA-N 0 3 364.493 3.163 20 30 FGEDHN CC(C)(C)N1CCCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000578731086 506007867 /nfs/dbraw/zinc/00/78/67/506007867.db2.gz AKUUOTVPOAYEQU-IBGZPJMESA-N 0 3 354.498 3.451 20 30 FGEDHN CSC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000331208588 498275994 /nfs/dbraw/zinc/27/59/94/498275994.db2.gz ZTHWESXNLFJETB-HZPDHXFCSA-N 0 3 363.527 3.429 20 30 FGEDHN COCc1cc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1F ZINC000331333073 498303815 /nfs/dbraw/zinc/30/38/15/498303815.db2.gz SQCXVRVZAJAMII-QGZVFWFLSA-N 0 3 351.466 3.096 20 30 FGEDHN COc1ccc([O-])c(C[NH2+]CC2CCN(c3ccccc3C#N)CC2)c1 ZINC000360795133 498312028 /nfs/dbraw/zinc/31/20/28/498312028.db2.gz WANPDRHAJAGYQJ-UHFFFAOYSA-N 0 3 351.450 3.279 20 30 FGEDHN N#CC1(CCCN2CCCN(C(=O)c3cccc(F)c3)CC2)CCOCC1 ZINC000281912282 498316456 /nfs/dbraw/zinc/31/64/56/498316456.db2.gz GOSCZHKEKBBLSD-UHFFFAOYSA-N 0 3 373.472 3.074 20 30 FGEDHN N#Cc1cccc(NC(=O)CNC2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000293263313 498324903 /nfs/dbraw/zinc/32/49/03/498324903.db2.gz MXLXLSGCLJMQKV-UHFFFAOYSA-N 0 3 367.424 3.017 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000365199040 498347862 /nfs/dbraw/zinc/34/78/62/498347862.db2.gz FOCXNAFGHVDFJY-ACWOFJMJSA-N 0 3 359.495 3.034 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000331523550 498359239 /nfs/dbraw/zinc/35/92/39/498359239.db2.gz JXHUGXOEFRNJPO-HQRMLTQVSA-N 0 3 355.482 3.047 20 30 FGEDHN CN(C(=O)CN1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O)C1(C#N)CCCCC1 ZINC000331522249 498359345 /nfs/dbraw/zinc/35/93/45/498359345.db2.gz CVZUNEUKTNVGOC-QWFCFKBJSA-N 0 3 361.530 3.077 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000575949063 506039412 /nfs/dbraw/zinc/03/94/12/506039412.db2.gz QUCBVEIJCHXGJS-WWMYMODYSA-N 0 3 363.461 3.105 20 30 FGEDHN C[C@H](NC1(Cc2ccccc2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000581648700 506036689 /nfs/dbraw/zinc/03/66/89/506036689.db2.gz VMJUCBFTVFADSB-KRWDZBQOSA-N 0 3 363.461 3.267 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000362252135 498481961 /nfs/dbraw/zinc/48/19/61/498481961.db2.gz BGIVJCLEDZQKCH-SFHVURJKSA-N 0 3 355.463 3.316 20 30 FGEDHN N#Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302778276 498568640 /nfs/dbraw/zinc/56/86/40/498568640.db2.gz GWADVQTVYCOTPC-LJQANCHMSA-N 0 3 366.421 3.169 20 30 FGEDHN N#Cc1cc(NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)ccc1F ZINC000362955740 498589551 /nfs/dbraw/zinc/58/95/51/498589551.db2.gz QJYWTWGADNHUTR-MRXNPFEDSA-N 0 3 367.428 3.126 20 30 FGEDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000578999292 506071377 /nfs/dbraw/zinc/07/13/77/506071377.db2.gz QCOAHNPPQGEYQA-SWLSCSKDSA-N 0 3 352.360 3.135 20 30 FGEDHN CN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000298212888 498696013 /nfs/dbraw/zinc/69/60/13/498696013.db2.gz UVCBJVMIUSPEQV-IHPCNDPISA-N 0 3 354.498 3.375 20 30 FGEDHN CN1CCCN(c2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)CC1 ZINC000294453146 498697211 /nfs/dbraw/zinc/69/72/11/498697211.db2.gz MGUKQNYIOCNDJP-NRFANRHFSA-N 0 3 352.482 3.241 20 30 FGEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2C)C1 ZINC000303617291 498698811 /nfs/dbraw/zinc/69/88/11/498698811.db2.gz MKNWANIVEVFOLB-INIZCTEOSA-N 0 3 363.527 3.046 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000581869215 506079225 /nfs/dbraw/zinc/07/92/25/506079225.db2.gz LVYSLLUALPTOLX-SWLSCSKDSA-N 0 3 350.447 3.063 20 30 FGEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000291059839 498777061 /nfs/dbraw/zinc/77/70/61/498777061.db2.gz CYTHELILXJNUMM-NJDAHSKKSA-N 0 3 369.509 3.339 20 30 FGEDHN CCn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000291096741 498794254 /nfs/dbraw/zinc/79/42/54/498794254.db2.gz VQTOKBOPZDQWIX-UHFFFAOYSA-N 0 3 364.497 3.149 20 30 FGEDHN C=CCC[C@H](CO)NCc1cc(Br)c(OCC)c(OC)c1 ZINC000320835135 498810904 /nfs/dbraw/zinc/81/09/04/498810904.db2.gz AXAQTYMMAWIBDV-CYBMUJFWSA-N 0 3 358.276 3.273 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000327059680 498851651 /nfs/dbraw/zinc/85/16/51/498851651.db2.gz ZYLGOMITTFENBL-INIZCTEOSA-N 0 3 350.340 3.107 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000581967303 506101623 /nfs/dbraw/zinc/10/16/23/506101623.db2.gz MYQAJAIOJPSMAX-KUHUBIRLSA-N 0 3 352.413 3.482 20 30 FGEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000581967302 506101909 /nfs/dbraw/zinc/10/19/09/506101909.db2.gz MYQAJAIOJPSMAX-IFXJQAMLSA-N 0 3 352.413 3.482 20 30 FGEDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCOc2ccccc21 ZINC000328639993 498884680 /nfs/dbraw/zinc/88/46/80/498884680.db2.gz CHIXWTDRLQEJDY-FIYPYCPBSA-N 0 3 356.466 3.404 20 30 FGEDHN Cn1nc(C(=O)NCCN2CCC3(CCCCC3)CC2)cc1OC(F)F ZINC000328700921 498907343 /nfs/dbraw/zinc/90/73/43/498907343.db2.gz IXCDEQNJGVUWIR-UHFFFAOYSA-N 0 3 370.444 3.372 20 30 FGEDHN C[C@@]1(c2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)NC(=O)[N-]C1=O ZINC000328716608 498912553 /nfs/dbraw/zinc/91/25/53/498912553.db2.gz DXWYCQOJNGUZLL-FQEVSTJZSA-N 0 3 370.453 3.117 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)CCN1C ZINC000328729572 498917967 /nfs/dbraw/zinc/91/79/67/498917967.db2.gz WCSWCGUKVMYZEX-IIAWOOMASA-N 0 3 374.510 3.066 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000328733347 498919879 /nfs/dbraw/zinc/91/98/79/498919879.db2.gz HQNRYILSCKVSQX-NVXWUHKLSA-N 0 3 368.399 3.352 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCCc2cc3ccccc3o2)cc1 ZINC000570201986 506114453 /nfs/dbraw/zinc/11/44/53/506114453.db2.gz QDIPFGXRUOGZBJ-GOSISDBHSA-N 0 3 350.418 3.071 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)CC1 ZINC000283667095 498951206 /nfs/dbraw/zinc/95/12/06/498951206.db2.gz RGGWLEMJPYNJEE-UHFFFAOYSA-N 0 3 351.425 3.480 20 30 FGEDHN CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 ZINC000328846191 498959039 /nfs/dbraw/zinc/95/90/39/498959039.db2.gz VMHWHIHWZFSPOA-VIBAHUMZSA-N 0 3 364.511 3.247 20 30 FGEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000328863423 498965459 /nfs/dbraw/zinc/96/54/59/498965459.db2.gz MHOMRFHSWFLRJS-JQHSSLGASA-N 0 3 369.513 3.206 20 30 FGEDHN CN1C[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@H](c2ccccc2)C1 ZINC000328919496 498986183 /nfs/dbraw/zinc/98/61/83/498986183.db2.gz LKVOTCLBCBNEOA-RDJZCZTQSA-N 0 3 351.406 3.069 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1C(F)F ZINC000329094673 499040854 /nfs/dbraw/zinc/04/08/54/499040854.db2.gz KPEXIRHEFCJRQY-OLZOCXBDSA-N 0 3 355.433 3.191 20 30 FGEDHN Cc1c2c(nc(SCC(=O)NC3CCN(C4CC4)CC3)c1C#N)CCC2 ZINC000329149915 499056663 /nfs/dbraw/zinc/05/66/63/499056663.db2.gz RAXUIGYOUWGVAJ-UHFFFAOYSA-N 0 3 370.522 3.426 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000329183878 499065246 /nfs/dbraw/zinc/06/52/46/499065246.db2.gz OCRUTYCUTQVZMC-XBFCOCLRSA-N 0 3 369.387 3.155 20 30 FGEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000329191584 499067295 /nfs/dbraw/zinc/06/72/95/499067295.db2.gz SKUFTPNYQHBOCQ-CYBMUJFWSA-N 0 3 357.376 3.344 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)cc1F ZINC000299482281 499072142 /nfs/dbraw/zinc/07/21/42/499072142.db2.gz ZAYSFRYFLDMRMS-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000329209806 499073184 /nfs/dbraw/zinc/07/31/84/499073184.db2.gz CHARNOOXHGLBSH-APWZRJJASA-N 0 3 367.497 3.339 20 30 FGEDHN C#CCCOc1ccc(CN[C@@H]2CCCc3cnn(CCOC)c32)cc1 ZINC000363978144 499073348 /nfs/dbraw/zinc/07/33/48/499073348.db2.gz VWFUHMMJHDEMNM-HXUWFJFHSA-N 0 3 353.466 3.099 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000295675991 499078218 /nfs/dbraw/zinc/07/82/18/499078218.db2.gz RPMIQWXITHGUMJ-HNNXBMFYSA-N 0 3 352.438 3.330 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccccc2)N2CCCC2)no1 ZINC000329390908 499113590 /nfs/dbraw/zinc/11/35/90/499113590.db2.gz RLEZUHCLKFKBAN-ROUUACIJSA-N 0 3 369.469 3.266 20 30 FGEDHN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)c1 ZINC000329414894 499117502 /nfs/dbraw/zinc/11/75/02/499117502.db2.gz CSNDRLNUXWRWFL-WOJBJXKFSA-N 0 3 367.497 3.017 20 30 FGEDHN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCN(Cc4ccccc4)C3)C2)c1 ZINC000329414894 499117505 /nfs/dbraw/zinc/11/75/05/499117505.db2.gz CSNDRLNUXWRWFL-WOJBJXKFSA-N 0 3 367.497 3.017 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CC1 ZINC000329450543 499123511 /nfs/dbraw/zinc/12/35/11/499123511.db2.gz DONXGBWFYKREHV-MCYKXBRJSA-N 0 3 358.482 3.220 20 30 FGEDHN CN(CC(=O)NC1CCOCC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000329470348 499126093 /nfs/dbraw/zinc/12/60/93/499126093.db2.gz YDBPDRIWXLXKJU-QZTJIDSGSA-N 0 3 350.434 3.113 20 30 FGEDHN CN(C(=O)c1ccc(NCc2ccc(C#N)cc2)cc1)[C@H]1CCCN(C)C1 ZINC000367069625 499143697 /nfs/dbraw/zinc/14/36/97/499143697.db2.gz XMQKFRMALZLKKS-NRFANRHFSA-N 0 3 362.477 3.337 20 30 FGEDHN Cc1cc(CN2CCC(N(C)Cc3cn4ccccc4c3C#N)CC2)on1 ZINC000369907287 499149917 /nfs/dbraw/zinc/14/99/17/499149917.db2.gz XOBOMZGEHZULIL-UHFFFAOYSA-N 0 3 363.465 3.204 20 30 FGEDHN Cc1nn(C)c(Cl)c1CNCC1CCN(c2ccccc2C#N)CC1 ZINC000372627895 499155489 /nfs/dbraw/zinc/15/54/89/499155489.db2.gz QUVDCFWYMPJVJK-UHFFFAOYSA-N 0 3 357.889 3.260 20 30 FGEDHN C=CCc1cc(CN2CCC(OC[C@H]3CCOC3)CC2)cc(OC)c1O ZINC000369965840 499158636 /nfs/dbraw/zinc/15/86/36/499158636.db2.gz SNRLXUFDZPUKEM-INIZCTEOSA-N 0 3 361.482 3.147 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226948 499164980 /nfs/dbraw/zinc/16/49/80/499164980.db2.gz RUZYPTKBAAJYJN-FUHWJXTLSA-N 0 3 364.449 3.223 20 30 FGEDHN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(n2cnc(C#N)n2)CC1 ZINC000370123642 499184236 /nfs/dbraw/zinc/18/42/36/499184236.db2.gz TVJZPVXRHLQJLZ-GFCCVEGCSA-N 0 3 365.359 3.446 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000367414625 499196457 /nfs/dbraw/zinc/19/64/57/499196457.db2.gz FUITXCDPUJPJTD-UHFFFAOYSA-N 0 3 352.413 3.081 20 30 FGEDHN C=CCC[C@H](NCc1c(C)nn(C)c1N1CCCN(C)CC1)c1ccco1 ZINC000367617595 499218397 /nfs/dbraw/zinc/21/83/97/499218397.db2.gz QUSMRGUGKCCBCS-IBGZPJMESA-N 0 3 371.529 3.261 20 30 FGEDHN COc1cc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1C#N ZINC000367688981 499225171 /nfs/dbraw/zinc/22/51/71/499225171.db2.gz PXBBOCIRJOFTKN-OAQYLSRUSA-N 0 3 354.425 3.133 20 30 FGEDHN CN1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@H]1c1cccs1 ZINC000367727560 499228728 /nfs/dbraw/zinc/22/87/28/499228728.db2.gz IIIXUGQZDLMJDR-DIFFPNOSSA-N 0 3 357.439 3.215 20 30 FGEDHN N#Cc1ccccc1N1CCC(C[NH2+][C@@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000367993590 499252748 /nfs/dbraw/zinc/25/27/48/499252748.db2.gz MOGHULMVQQFSKR-OAQYLSRUSA-N 0 3 372.476 3.272 20 30 FGEDHN N#Cc1ccccc1N1CCC(CN[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000367993590 499252749 /nfs/dbraw/zinc/25/27/49/499252749.db2.gz MOGHULMVQQFSKR-OAQYLSRUSA-N 0 3 372.476 3.272 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000573189193 506139342 /nfs/dbraw/zinc/13/93/42/506139342.db2.gz YVYRCSCUZIIOOT-BHADISHBSA-N 0 3 373.522 3.229 20 30 FGEDHN C=CCN(C(=O)N[C@H](C)C1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368388904 499291383 /nfs/dbraw/zinc/29/13/83/499291383.db2.gz DTUVJDSSCNXSAL-NQIIRXRSSA-N 0 3 371.525 3.274 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000371434044 499325922 /nfs/dbraw/zinc/32/59/22/499325922.db2.gz CGZVTQXGVQRJAL-UHFFFAOYSA-N 0 3 351.450 3.207 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000369134697 499369189 /nfs/dbraw/zinc/36/91/89/499369189.db2.gz PAAKCYQZJOKBBQ-FXAWDEMLSA-N 0 3 363.392 3.060 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000369303163 499389350 /nfs/dbraw/zinc/38/93/50/499389350.db2.gz OCNWNJBNZPEKFD-RTWAWAEBSA-N 0 3 372.472 3.273 20 30 FGEDHN COC[C@H]1CCCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000372093201 499398485 /nfs/dbraw/zinc/39/84/85/499398485.db2.gz BZQKTFXWRRDBPP-ROUUACIJSA-N 0 3 373.497 3.079 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@@H]3CCC[C@H]31)CCC2 ZINC000369458981 499405189 /nfs/dbraw/zinc/40/51/89/499405189.db2.gz SSTSLRCFTMBJHZ-HZPDHXFCSA-N 0 3 359.495 3.080 20 30 FGEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000369606895 499425784 /nfs/dbraw/zinc/42/57/84/499425784.db2.gz JASLGUBVABXOSB-IPMKNSEASA-N 0 3 351.535 3.264 20 30 FGEDHN C=CCOc1cccc(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000369653835 499432323 /nfs/dbraw/zinc/43/23/23/499432323.db2.gz JSQRZLQYMCWSEZ-PXNSSMCTSA-N 0 3 366.465 3.461 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3ccccc3C)C2)CC1 ZINC000369742582 499440097 /nfs/dbraw/zinc/44/00/97/499440097.db2.gz RWLUQBUCYBDQQO-HXUWFJFHSA-N 0 3 357.498 3.118 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC=C(c3ccc(OC)cc3)CC2)CC1 ZINC000373100620 499451286 /nfs/dbraw/zinc/45/12/86/499451286.db2.gz SYYJWMFXHITEKP-UHFFFAOYSA-N 0 3 355.482 3.144 20 30 FGEDHN N#C[C@@H]1N(C(=O)c2ccc(CN3CCCC3)cc2)CCC[C@]12CCCCO2 ZINC000373375039 499466194 /nfs/dbraw/zinc/46/61/94/499466194.db2.gz CZUDJTFLSXGCCJ-RBBKRZOGSA-N 0 3 367.493 3.350 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(OC)cc3[C@@H](C)C2)CC1 ZINC000378228204 499492228 /nfs/dbraw/zinc/49/22/28/499492228.db2.gz JIUSPFFYUIDPGK-INIZCTEOSA-N 0 3 357.498 3.017 20 30 FGEDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)cc1OC ZINC000378457647 499519162 /nfs/dbraw/zinc/51/91/62/499519162.db2.gz WHSYAODKIANIFN-QGZVFWFLSA-N 0 3 367.449 3.040 20 30 FGEDHN COc1cc(C#N)ccc1CN[C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000375516177 499527296 /nfs/dbraw/zinc/52/72/96/499527296.db2.gz YMRBOCQDNXIBBF-AUUYWEPGSA-N 0 3 370.522 3.332 20 30 FGEDHN Cn1cc([C@H](NC2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2)cn1 ZINC000375520906 499528114 /nfs/dbraw/zinc/52/81/14/499528114.db2.gz BNCVFXFYQJYHMC-JOCHJYFZSA-N 0 3 372.476 3.035 20 30 FGEDHN C=C(CNC(=O)NC1CCN(CCc2ccncc2)CC1)c1ccccc1 ZINC000376717962 499631542 /nfs/dbraw/zinc/63/15/42/499631542.db2.gz MVGOJDGKJNGVBE-UHFFFAOYSA-N 0 3 364.493 3.101 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCCC12CCOCC2)C(C)C ZINC000410091262 499640898 /nfs/dbraw/zinc/64/08/98/499640898.db2.gz YXDQUSSSMFMJEL-RBUKOAKNSA-N 0 3 363.546 3.334 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2O1 ZINC000377093518 499661563 /nfs/dbraw/zinc/66/15/63/499661563.db2.gz KWJCXFINLLJKGA-RBUKOAKNSA-N 0 3 363.461 3.430 20 30 FGEDHN CSc1cccc(N(C(=O)c2ccc(C#N)n2C)C2CCN(C)CC2)c1 ZINC000410471933 499664163 /nfs/dbraw/zinc/66/41/63/499664163.db2.gz RIGHQXACTGDACB-UHFFFAOYSA-N 0 3 368.506 3.360 20 30 FGEDHN N#Cc1c(NC(=O)C2CCN(C3CC3)CC2)cccc1OC(F)(F)F ZINC000411116777 499699614 /nfs/dbraw/zinc/69/96/14/499699614.db2.gz XCZNDSPXGSNQOZ-UHFFFAOYSA-N 0 3 353.344 3.270 20 30 FGEDHN N#CCc1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000412006748 499812315 /nfs/dbraw/zinc/81/23/15/499812315.db2.gz CYPJNYSARQOMNQ-OAQYLSRUSA-N 0 3 350.462 3.373 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1CCNC2)c1ccccc1 ZINC000576447919 506160772 /nfs/dbraw/zinc/16/07/72/506160772.db2.gz QFYFVTXUBHTVBN-LJQANCHMSA-N 0 3 363.461 3.095 20 30 FGEDHN C=CCC1(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CCCC1 ZINC000412773248 499883658 /nfs/dbraw/zinc/88/36/58/499883658.db2.gz LXAQFMGBBQSUOY-UHFFFAOYSA-N 0 3 356.510 3.266 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)NCCCNCc2cccnc2)cc1C#N ZINC000415313260 499885662 /nfs/dbraw/zinc/88/56/62/499885662.db2.gz HJTHTOAYZCUQGZ-UHFFFAOYSA-N 0 3 367.453 3.042 20 30 FGEDHN N#Cc1cnc(NCCCCN2CCN(c3ccccc3)CC2)c(F)c1 ZINC000413064831 499909190 /nfs/dbraw/zinc/90/91/90/499909190.db2.gz AGUWTCNQEKUINE-UHFFFAOYSA-N 0 3 353.445 3.107 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H]2c2cccc(OC)c2)CC1 ZINC000413229446 499929892 /nfs/dbraw/zinc/92/98/92/499929892.db2.gz CRSVHLXSGIIWTE-PXNSSMCTSA-N 0 3 357.498 3.138 20 30 FGEDHN CN(C)[C@@H](CC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000416178191 499970283 /nfs/dbraw/zinc/97/02/83/499970283.db2.gz GZTRPOGBIBELIP-SFTDATJTSA-N 0 3 363.461 3.151 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428984846 499974187 /nfs/dbraw/zinc/97/41/87/499974187.db2.gz YPNSTFYAVQBETP-QUCCMNQESA-N 0 3 359.514 3.322 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428984841 499974201 /nfs/dbraw/zinc/97/42/01/499974201.db2.gz YPNSTFYAVQBETP-AZUAARDMSA-N 0 3 359.514 3.322 20 30 FGEDHN COc1cc(NC(=O)Nc2cccc(C#N)c2)ccc1OCCN(C)C ZINC000417171408 499994759 /nfs/dbraw/zinc/99/47/59/499994759.db2.gz GPTGWKYKLXXZLD-UHFFFAOYSA-N 0 3 354.410 3.151 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000416266536 500001269 /nfs/dbraw/zinc/00/12/69/500001269.db2.gz ZTEAOKHNRSSTDK-ZWKOTPCHSA-N 0 3 350.418 3.105 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429239715 500030429 /nfs/dbraw/zinc/03/04/29/500030429.db2.gz HJMZMHPYCXGSFT-OAHLLOKOSA-N 0 3 354.475 3.366 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429271653 500039356 /nfs/dbraw/zinc/03/93/56/500039356.db2.gz JHAMLUZGHAVOBM-NHYWBVRUSA-N 0 3 351.288 3.353 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000425233255 500051730 /nfs/dbraw/zinc/05/17/30/500051730.db2.gz GGYVVPSIAQRMED-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414040368 500134697 /nfs/dbraw/zinc/13/46/97/500134697.db2.gz LYWQQGBSIGRNKU-IEBWSBKVSA-N 0 3 351.425 3.293 20 30 FGEDHN CSC1(CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCN(C)CC1 ZINC000425553916 500143669 /nfs/dbraw/zinc/14/36/69/500143669.db2.gz URMUMYJMWCZFCF-OAHLLOKOSA-N 0 3 360.527 3.088 20 30 FGEDHN COC(=O)c1ccccc1CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000430177800 500204517 /nfs/dbraw/zinc/20/45/17/500204517.db2.gz KLXQXLXUCGKJTA-UHFFFAOYSA-N 0 3 351.450 3.138 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000425969865 500218115 /nfs/dbraw/zinc/21/81/15/500218115.db2.gz ZXXRWPZDWCKGET-FQEVSTJZSA-N 0 3 350.466 3.169 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)s1)C1CCN(Cc2ccccc2)CC1 ZINC000422213506 500235336 /nfs/dbraw/zinc/23/53/36/500235336.db2.gz GDHMWHPCDFOEIW-UHFFFAOYSA-N 0 3 368.506 3.426 20 30 FGEDHN Cc1cc(NC(=O)c2cccc(SCC#N)c2)n(C2CCN(C)CC2)n1 ZINC000430472963 500244786 /nfs/dbraw/zinc/24/47/86/500244786.db2.gz MYYLCGPUNXCDAA-UHFFFAOYSA-N 0 3 369.494 3.326 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000427034901 500347067 /nfs/dbraw/zinc/34/70/67/500347067.db2.gz QHUJRDQSQDZRCE-LEWJYISDSA-N 0 3 359.473 3.423 20 30 FGEDHN CN(C)[C@@]1(CNC(=O)N[C@H](CCCC#N)c2ccccc2)CCSC1 ZINC000431284566 500358390 /nfs/dbraw/zinc/35/83/90/500358390.db2.gz VPIHNJXHAUPMOC-IEBWSBKVSA-N 0 3 360.527 3.158 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](N)c1ccccc1CC ZINC000423940553 500421710 /nfs/dbraw/zinc/42/17/10/500421710.db2.gz NTTRZFROIUHKTN-IBGZPJMESA-N 0 3 354.450 3.252 20 30 FGEDHN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)n1 ZINC000424072775 500447685 /nfs/dbraw/zinc/44/76/85/500447685.db2.gz ZEXHGZGJGBLFEJ-INIZCTEOSA-N 0 3 355.467 3.204 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000424109420 500455243 /nfs/dbraw/zinc/45/52/43/500455243.db2.gz AJWNMPSELVVKEY-LLVKDONJSA-N 0 3 367.887 3.302 20 30 FGEDHN CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424110665 500455301 /nfs/dbraw/zinc/45/53/01/500455301.db2.gz DEBCEIBPMPHFTN-VJFUWPCTSA-N 0 3 371.481 3.344 20 30 FGEDHN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000424121648 500457273 /nfs/dbraw/zinc/45/72/73/500457273.db2.gz IAYUAMGWEJBLMH-QGZVFWFLSA-N 0 3 361.559 3.487 20 30 FGEDHN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](N)CCCC#N)cn1 ZINC000424130364 500458222 /nfs/dbraw/zinc/45/82/22/500458222.db2.gz HMHXAXSTPGFKEB-OAHLLOKOSA-N 0 3 354.410 3.151 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000424128470 500458409 /nfs/dbraw/zinc/45/84/09/500458409.db2.gz RDMBPPGFZWQDGI-OAHLLOKOSA-N 0 3 353.388 3.264 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000424190653 500465309 /nfs/dbraw/zinc/46/53/09/500465309.db2.gz QANNHFJRCMSBIW-AEFFLSMTSA-N 0 3 369.444 3.291 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428103886 500469204 /nfs/dbraw/zinc/46/92/04/500469204.db2.gz PDJBYMFEQXGTBF-KRWDZBQOSA-N 0 3 369.557 3.253 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420779152 500498834 /nfs/dbraw/zinc/49/88/34/500498834.db2.gz KRWYXCAGLHTJGS-UHFFFAOYSA-N 0 3 368.506 3.392 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000432390672 500509308 /nfs/dbraw/zinc/50/93/08/500509308.db2.gz ZYVZWFBLRORTIG-JXFKEZNVSA-N 0 3 362.477 3.190 20 30 FGEDHN C=CCOc1ccccc1CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000428435068 500510076 /nfs/dbraw/zinc/51/00/76/500510076.db2.gz YKIUUNCXKPYSCY-QHCPKHFHSA-N 0 3 366.505 3.320 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccc(Br)cc2)s1 ZINC000428542751 500523437 /nfs/dbraw/zinc/52/34/37/500523437.db2.gz YGYAJNOBISPFPC-CYBMUJFWSA-N 0 3 365.296 3.323 20 30 FGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000428550361 500525278 /nfs/dbraw/zinc/52/52/78/500525278.db2.gz RKNAAVPDCNHKHU-AWEZNQCLSA-N 0 3 365.296 3.323 20 30 FGEDHN C=CCCn1cc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)nn1 ZINC000424720129 500549725 /nfs/dbraw/zinc/54/97/25/500549725.db2.gz KKLBSCZZVHNALH-FQEVSTJZSA-N 0 3 367.497 3.057 20 30 FGEDHN N#Cc1ccc(O[C@H]2CCN(CCCOCCc3ccccc3)C2)nc1 ZINC000428772771 500555721 /nfs/dbraw/zinc/55/57/21/500555721.db2.gz NWAKHXUOSKIPII-FQEVSTJZSA-N 0 3 351.450 3.056 20 30 FGEDHN CSc1ccc(OCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428783163 500557004 /nfs/dbraw/zinc/55/70/04/500557004.db2.gz MOJQYAQMNSDXFB-QGZVFWFLSA-N 0 3 355.463 3.207 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(n1)CCCC2 ZINC000442341821 500583104 /nfs/dbraw/zinc/58/31/04/500583104.db2.gz RADDXDZKMOYMEM-UHFFFAOYSA-N 0 3 362.477 3.036 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCC2CCC(C#N)CC2)N(C)C)cc1 ZINC000442453122 500591934 /nfs/dbraw/zinc/59/19/34/500591934.db2.gz ZRCGOPVSUUOEJC-QLOJAFMTSA-N 0 3 356.514 3.481 20 30 FGEDHN N#CC(C(=O)c1ccccc1Cn1cncn1)c1ccc(C(F)(F)F)cn1 ZINC000442630364 500606115 /nfs/dbraw/zinc/60/61/15/500606115.db2.gz XMFXXEAJRYOAQD-HNNXBMFYSA-N 0 3 371.322 3.230 20 30 FGEDHN COc1cccc(S(=O)(=O)CCN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433015165 500606838 /nfs/dbraw/zinc/60/68/38/500606838.db2.gz VXNXPZCIDZOHRA-FQEVSTJZSA-N 0 3 372.490 3.494 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(CO)(c3ccccc3)CC2)c1 ZINC000433052895 500614267 /nfs/dbraw/zinc/61/42/67/500614267.db2.gz NBIRUYKVTSKYBG-UHFFFAOYSA-N 0 3 350.462 3.353 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000433103147 500626283 /nfs/dbraw/zinc/62/62/83/500626283.db2.gz KDUJLMPPULKCRB-GOSISDBHSA-N 0 3 351.425 3.247 20 30 FGEDHN Cc1nc2ccc(C(=O)C(C#N)c3nnc4n3CCCCC4)cc2s1 ZINC000433117318 500630009 /nfs/dbraw/zinc/63/00/09/500630009.db2.gz UKPQNSMRMVRVHD-CYBMUJFWSA-N 0 3 351.435 3.413 20 30 FGEDHN COCCN([C@@H]1CC[C@@H](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878895 500683392 /nfs/dbraw/zinc/68/33/92/500683392.db2.gz LOFDKTFUEXXESN-NSISKUIASA-N 0 3 355.482 3.191 20 30 FGEDHN COCCN([C@H]1CCC[C@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877568 500683819 /nfs/dbraw/zinc/68/38/19/500683819.db2.gz FIMQJJRCXJDWHH-LSTHTHJFSA-N 0 3 355.482 3.191 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000438063452 500733004 /nfs/dbraw/zinc/73/30/04/500733004.db2.gz CDCPFNOSINRMSR-JBACZVJFSA-N 0 3 371.525 3.274 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2ccoc2c1)C(C)C ZINC000443757955 500761778 /nfs/dbraw/zinc/76/17/78/500761778.db2.gz XOJCMJVYUJMXPH-GOSISDBHSA-N 0 3 369.465 3.186 20 30 FGEDHN Cc1cc(CNC[C@@H](c2cccc(F)c2)N2CCOCC2)ccc1C#N ZINC000443970920 500785643 /nfs/dbraw/zinc/78/56/43/500785643.db2.gz JTVUKYSWJCLPPB-NRFANRHFSA-N 0 3 353.441 3.169 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1Br)N1CCCC[C@@H]1C ZINC000448696333 500806766 /nfs/dbraw/zinc/80/67/66/500806766.db2.gz GUKXKPFZFCIPJT-STQMWFEESA-N 0 3 364.287 3.313 20 30 FGEDHN CCCN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000448858865 500854112 /nfs/dbraw/zinc/85/41/12/500854112.db2.gz KQSQSRKLYSCATQ-FQEVSTJZSA-N 0 3 364.493 3.414 20 30 FGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cccc(C#N)c1Br ZINC000448932040 500872806 /nfs/dbraw/zinc/87/28/06/500872806.db2.gz FYPRLGJMYGMNIN-STQMWFEESA-N 0 3 364.287 3.313 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)nc2)N(C)C)cc1 ZINC000588181121 506222593 /nfs/dbraw/zinc/22/25/93/506222593.db2.gz QZKHCGFSNPGBER-HXUWFJFHSA-N 0 3 350.466 3.184 20 30 FGEDHN C=CC[C@@H]1N(C(=O)NCCCCN2CCN(CC)CC2)CCCC1(C)C ZINC000444845113 500909966 /nfs/dbraw/zinc/90/99/66/500909966.db2.gz DVEVXZOHZRZRGB-IBGZPJMESA-N 0 3 364.578 3.180 20 30 FGEDHN C=CCOc1cccc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)OC)C2)c1 ZINC000449349165 500983625 /nfs/dbraw/zinc/98/36/25/500983625.db2.gz PPIMNWIJRKORIB-LEWJYISDSA-N 0 3 367.445 3.346 20 30 FGEDHN CCN1CC[C@H](NCc2cccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000602601092 506228064 /nfs/dbraw/zinc/22/80/64/506228064.db2.gz QOYBLKZEPAMICT-PKOBYXMFSA-N 0 3 360.383 3.296 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2c(cc1Br)OCO2 ZINC000435744010 501021810 /nfs/dbraw/zinc/02/18/10/501021810.db2.gz VHMBBMFCFYOZBH-BZNIZROVSA-N 0 3 354.244 3.249 20 30 FGEDHN Cc1ccc(C[C@@H](CO)CNCc2ccc(C#N)o2)cc1Br ZINC000449602537 501042630 /nfs/dbraw/zinc/04/26/30/501042630.db2.gz UCCJMYGLXFZNNG-CQSZACIVSA-N 0 3 363.255 3.163 20 30 FGEDHN CC(C)(CCC#N)CNc1cc(N2CCOCC2)c(Br)cn1 ZINC000449770203 501081882 /nfs/dbraw/zinc/08/18/82/501081882.db2.gz WDWXRPJPKJAAQL-UHFFFAOYSA-N 0 3 367.291 3.423 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-c2cnn(C)c2)o1)C(C)C ZINC000449803224 501091147 /nfs/dbraw/zinc/09/11/47/501091147.db2.gz NISNHYLNYJXERO-KRWDZBQOSA-N 0 3 356.470 3.109 20 30 FGEDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000449809786 501093773 /nfs/dbraw/zinc/09/37/73/501093773.db2.gz ITWUXGBHXFYLNU-UHFFFAOYSA-N 0 3 353.491 3.484 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450388407 501108075 /nfs/dbraw/zinc/10/80/75/501108075.db2.gz HWJRHTCLMINPGT-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN C=CCC1(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)CCCC1 ZINC000450522174 501143997 /nfs/dbraw/zinc/14/39/97/501143997.db2.gz WPPADCSPLPKRMS-FQEVSTJZSA-N 0 3 356.510 3.396 20 30 FGEDHN C[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CCN(C2CC2)C1 ZINC000450548767 501151706 /nfs/dbraw/zinc/15/17/06/501151706.db2.gz UCPSVMNJBQJKLM-LLVKDONJSA-N 0 3 360.383 3.444 20 30 FGEDHN C=CCC[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000441569140 501155547 /nfs/dbraw/zinc/15/55/47/501155547.db2.gz RTXKRPFEBCITQP-RISCZKNCSA-N 0 3 363.401 3.262 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000450023872 501157360 /nfs/dbraw/zinc/15/73/60/501157360.db2.gz OURQBRGXTXCZMG-RZUBCFFCSA-N 0 3 354.494 3.092 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000447079637 501202448 /nfs/dbraw/zinc/20/24/48/501202448.db2.gz QBSQFHOYXULMLK-IVMMDQJWSA-N 0 3 362.271 3.226 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442168234 501203711 /nfs/dbraw/zinc/20/37/11/501203711.db2.gz IDQBEKLUSCTDOO-UHFFFAOYSA-N 0 3 368.359 3.229 20 30 FGEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000451231552 501253613 /nfs/dbraw/zinc/25/36/13/501253613.db2.gz QDLGPPCHGIYWPQ-CABCVRRESA-N 0 3 352.381 3.371 20 30 FGEDHN CN1CCN(c2cccc(Cl)c2CNCc2ccc(C#N)c(F)c2)CC1 ZINC000451260509 501255886 /nfs/dbraw/zinc/25/58/86/501255886.db2.gz UQMDDQCWDMOVKA-UHFFFAOYSA-N 0 3 372.875 3.392 20 30 FGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000451296595 501259284 /nfs/dbraw/zinc/25/92/84/501259284.db2.gz PXCCBVDFWILMKB-CQSZACIVSA-N 0 3 364.287 3.171 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000455272979 501260243 /nfs/dbraw/zinc/26/02/43/501260243.db2.gz LLIPPRYNTJUQGU-IHPCNDPISA-N 0 3 372.513 3.078 20 30 FGEDHN CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451333119 501268074 /nfs/dbraw/zinc/26/80/74/501268074.db2.gz QXNOHDSZEBVOGP-SFHVURJKSA-N 0 3 357.841 3.206 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1C ZINC000451424013 501290239 /nfs/dbraw/zinc/29/02/39/501290239.db2.gz SKCJYEJJIRZWIZ-NRSPTQNISA-N 0 3 369.509 3.176 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](COC)CC1)C(C)C ZINC000457760595 501303404 /nfs/dbraw/zinc/30/34/04/501303404.db2.gz XBHRTNMEYYJEJE-OALUTQOASA-N 0 3 351.535 3.143 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C1(C)C ZINC000451490721 501305077 /nfs/dbraw/zinc/30/50/77/501305077.db2.gz AUMGQTNDZUZMDO-NSISKUIASA-N 0 3 357.498 3.199 20 30 FGEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453424398 501328386 /nfs/dbraw/zinc/32/83/86/501328386.db2.gz JEFHDQPELKSSAV-JENIJYKNSA-N 0 3 369.513 3.009 20 30 FGEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000453424973 501328735 /nfs/dbraw/zinc/32/87/35/501328735.db2.gz LSLFVEDZJALCRA-ABHNRTSZSA-N 0 3 359.518 3.016 20 30 FGEDHN C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453425723 501329341 /nfs/dbraw/zinc/32/93/41/501329341.db2.gz OQTCFBODMPKZHT-SFHVURJKSA-N 0 3 357.477 3.113 20 30 FGEDHN CC(C)[C@H](CO)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000451591044 501331754 /nfs/dbraw/zinc/33/17/54/501331754.db2.gz CQIBEWQNQYKHOS-YJBOKZPZSA-N 0 3 351.878 3.029 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000451594682 501332871 /nfs/dbraw/zinc/33/28/71/501332871.db2.gz BMHQGQYPJMJKBM-YADHBBJMSA-N 0 3 364.489 3.191 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000451599899 501334119 /nfs/dbraw/zinc/33/41/19/501334119.db2.gz PNHVZGHIJQSIER-UXHICEINSA-N 0 3 360.473 3.420 20 30 FGEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc(C#N)c1Br ZINC000451764799 501367947 /nfs/dbraw/zinc/36/79/47/501367947.db2.gz WDEPYWWVGAASIJ-SWLSCSKDSA-N 0 3 362.271 3.020 20 30 FGEDHN CC(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458200420 501390521 /nfs/dbraw/zinc/39/05/21/501390521.db2.gz PKYKDYMQZIFKDI-RYGJVYDSSA-N 0 3 351.425 3.070 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000458235317 501400714 /nfs/dbraw/zinc/40/07/14/501400714.db2.gz YWTDIXCBQXDWNR-IBGZPJMESA-N 0 3 355.507 3.411 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C)cc(C#N)c2)c1 ZINC000455949979 501424103 /nfs/dbraw/zinc/42/41/03/501424103.db2.gz FGYIKVQIMQGOPX-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN CS[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000456002094 501435824 /nfs/dbraw/zinc/43/58/24/501435824.db2.gz HEANVQHBOXBONE-RTBURBONSA-N 0 3 371.550 3.165 20 30 FGEDHN C[C@H]1CN(CCCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCCO1 ZINC000458707784 501512010 /nfs/dbraw/zinc/51/20/10/501512010.db2.gz BAXMOLFXDYQWNZ-ICSRJNTNSA-N 0 3 372.513 3.222 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCN(C)c3ccccc32)CC1 ZINC000454468388 501552931 /nfs/dbraw/zinc/55/29/31/501552931.db2.gz SBSGDUNNJXRATB-LJQANCHMSA-N 0 3 356.514 3.297 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000454539113 501572660 /nfs/dbraw/zinc/57/26/60/501572660.db2.gz IZLIFSYVOLVLJS-OAHLLOKOSA-N 0 3 371.460 3.022 20 30 FGEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000459034878 501580570 /nfs/dbraw/zinc/58/05/70/501580570.db2.gz YUOSEFGPDXCGRR-UHFFFAOYSA-N 0 3 368.319 3.489 20 30 FGEDHN C=CCC(CC=C)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453030240 501604517 /nfs/dbraw/zinc/60/45/17/501604517.db2.gz RYNXDZAKFBKQTE-UHFFFAOYSA-N 0 3 369.509 3.494 20 30 FGEDHN C=CCC[C@@H](NCCN1C(=O)N[C@@H](C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000459393405 501645736 /nfs/dbraw/zinc/64/57/36/501645736.db2.gz YEKXRDNBLCGBOU-SWLSCSKDSA-N 0 3 369.387 3.243 20 30 FGEDHN Cc1nsc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1C#N ZINC000459553322 501675683 /nfs/dbraw/zinc/67/56/83/501675683.db2.gz XWSBBWMMMHBZAQ-MRXNPFEDSA-N 0 3 355.467 3.282 20 30 FGEDHN CCN(C(=O)Nc1snc(C)c1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459558840 501676586 /nfs/dbraw/zinc/67/65/86/501676586.db2.gz JVNUFXGFACWKTB-INIZCTEOSA-N 0 3 369.494 3.452 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000459741018 501706656 /nfs/dbraw/zinc/70/66/56/501706656.db2.gz BRTDDVWSYPVYOG-BMGDILEWSA-N 0 3 373.522 3.424 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CNC2(CCO)CCCCC2)c1C ZINC000474277071 501772383 /nfs/dbraw/zinc/77/23/83/501772383.db2.gz QBXZQQVWMBEBSV-UHFFFAOYSA-N 0 3 357.498 3.225 20 30 FGEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)CC3 ZINC000485275010 501774228 /nfs/dbraw/zinc/77/42/28/501774228.db2.gz SPHFYTFUBSZYIS-IERDGZPVSA-N 0 3 358.445 3.022 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470732265 501785135 /nfs/dbraw/zinc/78/51/35/501785135.db2.gz JYHUJBADLKUHRR-FGZHOGPDSA-N 0 3 374.488 3.440 20 30 FGEDHN COc1ccc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1F ZINC000470753913 501791958 /nfs/dbraw/zinc/79/19/58/501791958.db2.gz DNZZOYZDHOFXHU-CXAGYDPISA-N 0 3 351.381 3.266 20 30 FGEDHN C=CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)Cc1ccccc1 ZINC000460381302 501810273 /nfs/dbraw/zinc/81/02/73/501810273.db2.gz QXJQOIXUJIGPTR-NRFANRHFSA-N 0 3 351.494 3.094 20 30 FGEDHN COc1ccc(Cl)cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470834290 501822978 /nfs/dbraw/zinc/82/29/78/501822978.db2.gz WLBZHHCEOCPIPW-OAHLLOKOSA-N 0 3 353.809 3.219 20 30 FGEDHN CC[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)N(CC)CC ZINC000470846828 501828165 /nfs/dbraw/zinc/82/81/65/501828165.db2.gz ABFMUKSQGVBVAZ-SFHVURJKSA-N 0 3 370.497 3.328 20 30 FGEDHN CC(C)(C)c1csc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000470878086 501840611 /nfs/dbraw/zinc/84/06/11/501840611.db2.gz SYRVRILMVXSKHV-MRXNPFEDSA-N 0 3 366.490 3.353 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2COc3ccc(Cl)cc32)cc1 ZINC000471062734 501906343 /nfs/dbraw/zinc/90/63/43/501906343.db2.gz TVGKNAWRLAHBQF-PBHICJAKSA-N 0 3 351.793 3.144 20 30 FGEDHN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cccc(C#N)c1 ZINC000485726967 501917251 /nfs/dbraw/zinc/91/72/51/501917251.db2.gz IOEBOZICRFJTQL-INIZCTEOSA-N 0 3 369.490 3.291 20 30 FGEDHN CN(C)CCn1ncc(C(=O)Nc2ccc(CC#N)cc2)c1-c1ccccc1 ZINC000485741456 501921456 /nfs/dbraw/zinc/92/14/56/501921456.db2.gz FEAWSPNJQXXKBD-UHFFFAOYSA-N 0 3 373.460 3.430 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000588374707 506281847 /nfs/dbraw/zinc/28/18/47/506281847.db2.gz VZPMRVADHHEGKI-YWZLYKJASA-N 0 3 366.465 3.230 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1OC ZINC000478367857 501957123 /nfs/dbraw/zinc/95/71/23/501957123.db2.gz GFHOMESCQLEBRF-MOPGFXCFSA-N 0 3 366.461 3.088 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCC(=O)Nc1cccc(C#N)c1 ZINC000482149413 501990346 /nfs/dbraw/zinc/99/03/46/501990346.db2.gz JKDHXIADYLXKIP-OAQYLSRUSA-N 0 3 364.493 3.243 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000475058589 502040409 /nfs/dbraw/zinc/04/04/09/502040409.db2.gz ZQIHQGRYFUPIKI-LAUBAEHRSA-N 0 3 362.477 3.268 20 30 FGEDHN CCCN(CCN(CC)CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000461356146 502081183 /nfs/dbraw/zinc/08/11/83/502081183.db2.gz XMQBOPLTLOBFRL-UHFFFAOYSA-N 0 3 350.894 3.204 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCCOC)Cc2ccccc2)CC1 ZINC000471811739 502143093 /nfs/dbraw/zinc/14/30/93/502143093.db2.gz SYOQVBIJFMOPEG-OAQYLSRUSA-N 0 3 373.541 3.364 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCN2C2CCCCC2)cc1Cl ZINC000599054265 506296411 /nfs/dbraw/zinc/29/64/11/506296411.db2.gz MACRTGMCMUCYQX-QGZVFWFLSA-N 0 3 360.889 3.418 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000588665667 506297500 /nfs/dbraw/zinc/29/75/00/506297500.db2.gz KZDRRIXVNHVTTP-HXUWFJFHSA-N 0 3 354.498 3.453 20 30 FGEDHN C=CCCC1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000475462557 502179311 /nfs/dbraw/zinc/17/93/11/502179311.db2.gz HDWMSVSAEMCPSG-KRWDZBQOSA-N 0 3 355.482 3.069 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000472148350 502248235 /nfs/dbraw/zinc/24/82/35/502248235.db2.gz ZQQXDPHOLFBWBJ-RHSMWYFYSA-N 0 3 357.417 3.005 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@@H]2C#N)CCN1Cc1ccccc1 ZINC000461970572 502258590 /nfs/dbraw/zinc/25/85/90/502258590.db2.gz VYBKNMMANQUBOK-AFYVEPGGSA-N 0 3 354.498 3.373 20 30 FGEDHN Cc1cccc2c(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000472208646 502270332 /nfs/dbraw/zinc/27/03/32/502270332.db2.gz URHXTGUJHDMOTN-LJQANCHMSA-N 0 3 356.429 3.389 20 30 FGEDHN C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000462027107 502279149 /nfs/dbraw/zinc/27/91/49/502279149.db2.gz WKOHDGCBTFXELI-FGTMMUONSA-N 0 3 369.509 3.010 20 30 FGEDHN CCC(C#N)(CC)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000599063545 506305074 /nfs/dbraw/zinc/30/50/74/506305074.db2.gz ZSQFYVHUNKPYIG-UHFFFAOYSA-N 0 3 370.541 3.343 20 30 FGEDHN Cn1cc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)cc1C#N ZINC000487181675 502383635 /nfs/dbraw/zinc/38/36/35/502383635.db2.gz ROVGKHOXBJQXPW-OAHLLOKOSA-N 0 3 359.271 3.028 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469434030 502415772 /nfs/dbraw/zinc/41/57/72/502415772.db2.gz LIELPFYMNFWIHL-KRWDZBQOSA-N 0 3 352.482 3.359 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(C(F)F)CC2)c(OC)c1 ZINC000483517357 502418745 /nfs/dbraw/zinc/41/87/45/502418745.db2.gz SKRLJNJKLZLYAH-INIZCTEOSA-N 0 3 355.425 3.141 20 30 FGEDHN COc1cc(CNC(=O)N(CCN(C)C)CC2CCCCC2)ccc1C#N ZINC000462478988 502456519 /nfs/dbraw/zinc/45/65/19/502456519.db2.gz VMKMLIMEKUQVPF-UHFFFAOYSA-N 0 3 372.513 3.220 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)CN1C1CC1 ZINC000469554789 502459969 /nfs/dbraw/zinc/45/99/69/502459969.db2.gz SNZJLEDUWZXPQE-HZPDHXFCSA-N 0 3 350.466 3.300 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc2cnccc21 ZINC000599087822 506318356 /nfs/dbraw/zinc/31/83/56/506318356.db2.gz MCUZRAHUBHBXEP-UHFFFAOYSA-N 0 3 372.472 3.239 20 30 FGEDHN CCC(C#N)(CC)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000599095231 506321525 /nfs/dbraw/zinc/32/15/25/506321525.db2.gz BMNNHVBJGINYRG-UHFFFAOYSA-N 0 3 356.514 3.035 20 30 FGEDHN CN(C)CC1(NC(=O)c2cccc(COc3ccccc3C#N)c2)CCC1 ZINC000466582033 502615464 /nfs/dbraw/zinc/61/54/64/502615464.db2.gz TVEMJDNIKHSKEV-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN Cc1nc2ccccc2n1CCCCCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602848190 506325191 /nfs/dbraw/zinc/32/51/91/506325191.db2.gz FICIEJQRPKIIIO-QZTJIDSGSA-N 0 3 353.514 3.433 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)C(C)C ZINC000470037024 502637350 /nfs/dbraw/zinc/63/73/50/502637350.db2.gz XFDGGNWPIGRMFV-SLFFLAALSA-N 0 3 373.545 3.365 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000484645362 502694196 /nfs/dbraw/zinc/69/41/96/502694196.db2.gz GKUIESKMDJQVKX-YFVAEKQCSA-N 0 3 357.498 3.329 20 30 FGEDHN COc1cc(CN2CC[C@@H](O)C2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000463235952 502732196 /nfs/dbraw/zinc/73/21/96/502732196.db2.gz OKPDMLZCPLOXGS-OAQYLSRUSA-N 0 3 366.461 3.491 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCCCCOC2CCCCC2)CC1 ZINC000477484608 502785622 /nfs/dbraw/zinc/78/56/22/502785622.db2.gz PLQBPUVJBLTAFT-UHFFFAOYSA-N 0 3 351.535 3.456 20 30 FGEDHN C=CCNc1ncc(C(=O)NC[C@H](c2ccsc2)N(CC)CC)s1 ZINC000474049572 502790110 /nfs/dbraw/zinc/79/01/10/502790110.db2.gz ZVDFAWAWFIMFKT-CQSZACIVSA-N 0 3 364.540 3.037 20 30 FGEDHN N#Cc1ccc(OCCN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000463429460 502797523 /nfs/dbraw/zinc/79/75/23/502797523.db2.gz JPVFBBYGKJOAGD-QFIPXVFZSA-N 0 3 350.462 3.254 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000477524439 502798244 /nfs/dbraw/zinc/79/82/44/502798244.db2.gz WBPRFVPZVYGWJW-UHFFFAOYSA-N 0 3 374.506 3.134 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000474149699 502815298 /nfs/dbraw/zinc/81/52/98/502815298.db2.gz JCNUWUYTVXUVGG-NRFANRHFSA-N 0 3 359.514 3.384 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)C(C)C ZINC000513020650 502831959 /nfs/dbraw/zinc/83/19/59/502831959.db2.gz SDOSHFSFCOHDCF-FQEVSTJZSA-N 0 3 369.509 3.242 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)ccc1OC ZINC000513041174 502836741 /nfs/dbraw/zinc/83/67/41/502836741.db2.gz NKEDAVIXGUPRNT-OXQOHEQNSA-N 0 3 360.498 3.433 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000505004466 502838442 /nfs/dbraw/zinc/83/84/42/502838442.db2.gz CVVJSBPAOBNJTH-RXVVDRJESA-N 0 3 370.541 3.295 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000505023792 502840825 /nfs/dbraw/zinc/84/08/25/502840825.db2.gz ORLFHDFBYNSHKJ-UHFFFAOYSA-N 0 3 370.541 3.297 20 30 FGEDHN CCCN(CCN1CCCCC1)CC(=O)Nc1ccccc1SCC#N ZINC000513150009 502863735 /nfs/dbraw/zinc/86/37/35/502863735.db2.gz NWKKSMGNSGTPQT-UHFFFAOYSA-N 0 3 374.554 3.439 20 30 FGEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cn1C ZINC000496357564 502885783 /nfs/dbraw/zinc/88/57/83/502885783.db2.gz NRDOLPHBEVIGRU-NSHDSACASA-N 0 3 372.331 3.047 20 30 FGEDHN CCN(Cc1ccc(C(=O)N2CCC(C#N)(COC)CC2)cc1)C1CC1 ZINC000501338980 502987680 /nfs/dbraw/zinc/98/76/80/502987680.db2.gz XCLIFLQNYCZAJF-UHFFFAOYSA-N 0 3 355.482 3.063 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000513652869 502991847 /nfs/dbraw/zinc/99/18/47/502991847.db2.gz BPHKBFACMGXATI-ZDUSSCGKSA-N 0 3 359.345 3.453 20 30 FGEDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621231 503002492 /nfs/dbraw/zinc/00/24/92/503002492.db2.gz UDPAQJQKRSAISQ-KXBFYZLASA-N 0 3 369.421 3.289 20 30 FGEDHN C[C@@H]1CCN(C(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000513698110 503003566 /nfs/dbraw/zinc/00/35/66/503003566.db2.gz WOWVIVKQVLPTIZ-QGZVFWFLSA-N 0 3 365.452 3.363 20 30 FGEDHN N#Cc1ccc(C2CCN(CCc3nc4ccccc4c(=O)[nH]3)CC2)nc1 ZINC000602908421 506346526 /nfs/dbraw/zinc/34/65/26/506346526.db2.gz RCRBCTHSQVILDR-UHFFFAOYSA-N 0 3 359.433 3.024 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)nc1 ZINC000602909255 506348249 /nfs/dbraw/zinc/34/82/49/506348249.db2.gz KSXOWEAFBJYDCK-UHFFFAOYSA-N 0 3 359.433 3.033 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000513918291 503049226 /nfs/dbraw/zinc/04/92/26/503049226.db2.gz IPCMVJCVMAFUPT-IBGZPJMESA-N 0 3 368.427 3.345 20 30 FGEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000506183586 503065283 /nfs/dbraw/zinc/06/52/83/503065283.db2.gz RONQGDGCLUYIMP-OXQOHEQNSA-N 0 3 365.518 3.019 20 30 FGEDHN COc1cc(Br)ccc1CNCCOc1ccc(C#N)cc1 ZINC000514231232 503119156 /nfs/dbraw/zinc/11/91/56/503119156.db2.gz UZLQBJHPZYSVGN-UHFFFAOYSA-N 0 3 361.239 3.498 20 30 FGEDHN Cc1cccc(N2CCN(CCCCNc3nccc(C)c3C#N)CC2)c1 ZINC000514688432 503167887 /nfs/dbraw/zinc/16/78/87/503167887.db2.gz NCEMJRFBOHQITG-UHFFFAOYSA-N 0 3 363.509 3.006 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)C(C)C ZINC000498364805 503169435 /nfs/dbraw/zinc/16/94/35/503169435.db2.gz QLXIGBIUANRQCU-IBGZPJMESA-N 0 3 356.514 3.110 20 30 FGEDHN Cc1onc(CC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1C#N ZINC000498540299 503204791 /nfs/dbraw/zinc/20/47/91/503204791.db2.gz NJBMZXOQOIQKFN-KRWDZBQOSA-N 0 3 372.494 3.048 20 30 FGEDHN Cc1onc(CC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1C#N ZINC000498540301 503204857 /nfs/dbraw/zinc/20/48/57/503204857.db2.gz NJBMZXOQOIQKFN-QGZVFWFLSA-N 0 3 372.494 3.048 20 30 FGEDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000502566695 503227695 /nfs/dbraw/zinc/22/76/95/503227695.db2.gz SCKSYUOVFGUFLR-USXIJHARSA-N 0 3 365.424 3.462 20 30 FGEDHN CC(C)C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)N1CCOCC1 ZINC000515007024 503248269 /nfs/dbraw/zinc/24/82/69/503248269.db2.gz BIMZKVUUGPRCLX-KRWDZBQOSA-N 0 3 369.431 3.414 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507293526 503271396 /nfs/dbraw/zinc/27/13/96/503271396.db2.gz SDPVEMVOSXCPPX-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)N1CCCCC1 ZINC000502838820 503285145 /nfs/dbraw/zinc/28/51/45/503285145.db2.gz DXJZBVOMJZOYJG-IBGZPJMESA-N 0 3 357.498 3.342 20 30 FGEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000491992797 503342134 /nfs/dbraw/zinc/34/21/34/503342134.db2.gz ACMCKZKCNYWWQE-LBPRGKRZSA-N 0 3 370.375 3.057 20 30 FGEDHN COc1cccc(C[C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000515496041 503350845 /nfs/dbraw/zinc/35/08/45/503350845.db2.gz NWTXXAKVTHVJQN-WOJBJXKFSA-N 0 3 366.461 3.014 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C#N ZINC000499242851 503363467 /nfs/dbraw/zinc/36/34/67/503363467.db2.gz LPZPOTNFTBOBEQ-UHFFFAOYSA-N 0 3 371.868 3.181 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nccc2ccsc21 ZINC000599197851 506369561 /nfs/dbraw/zinc/36/95/61/506369561.db2.gz AXNCSCAMEACXPX-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503515854 503425200 /nfs/dbraw/zinc/42/52/00/503425200.db2.gz IJIJZDOTWCPZQR-OASPWFOLSA-N 0 3 369.437 3.185 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000503516379 503425281 /nfs/dbraw/zinc/42/52/81/503425281.db2.gz LWUZCXPADOJLNT-IAGOWNOFSA-N 0 3 365.424 3.300 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CCC[C@]1(C)CO ZINC000493504748 503430198 /nfs/dbraw/zinc/43/01/98/503430198.db2.gz TYWYHMYQEXEUQH-DKSSEZFCSA-N 0 3 361.511 3.018 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000516149071 503456295 /nfs/dbraw/zinc/45/62/95/503456295.db2.gz QIUIQLDRJAHECA-UAGQMJEPSA-N 0 3 372.465 3.378 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc4ncccc4c3)C2=O)cc1 ZINC000503899011 503485756 /nfs/dbraw/zinc/48/57/56/503485756.db2.gz CGBHKNKFNKJOKF-OAQYLSRUSA-N 0 3 356.429 3.392 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000508438643 503494314 /nfs/dbraw/zinc/49/43/14/503494314.db2.gz VJMVPLNKKZRBAM-UHFFFAOYSA-N 0 3 357.454 3.118 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000504083429 503519323 /nfs/dbraw/zinc/51/93/23/503519323.db2.gz AIUKADYNSYNLAI-SFHVURJKSA-N 0 3 357.498 3.124 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)CN(C)C ZINC000512416954 503544089 /nfs/dbraw/zinc/54/40/89/503544089.db2.gz YACCXYGUCOVBHB-LBPRGKRZSA-N 0 3 372.282 3.236 20 30 FGEDHN CN(C)CC1(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCC1 ZINC000500130506 503561517 /nfs/dbraw/zinc/56/15/17/503561517.db2.gz FPXAYMZIAVDYDL-UHFFFAOYSA-N 0 3 369.494 3.211 20 30 FGEDHN CCC[C@H](C)[C@H](CO)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000516654603 503561831 /nfs/dbraw/zinc/56/18/31/503561831.db2.gz OWVFOPQAPCJYSF-KSSFIOAISA-N 0 3 365.905 3.282 20 30 FGEDHN CN1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC12CCCCC2 ZINC000516659994 503563310 /nfs/dbraw/zinc/56/33/10/503563310.db2.gz GKQDXWXBWQTVOF-HXUWFJFHSA-N 0 3 366.509 3.004 20 30 FGEDHN C[C@@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000512652969 503604275 /nfs/dbraw/zinc/60/42/75/503604275.db2.gz CESHSINRAJQSTG-MRXNPFEDSA-N 0 3 370.447 3.309 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000494881522 503628654 /nfs/dbraw/zinc/62/86/54/503628654.db2.gz WUKNZKMUBZLMCU-VQTJNVASSA-N 0 3 359.514 3.446 20 30 FGEDHN C=CC[C@H](CO)CN[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495046840 503652016 /nfs/dbraw/zinc/65/20/16/503652016.db2.gz KLAGJTDWRPZHFK-LAUBAEHRSA-N 0 3 373.518 3.262 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(SC)n2-c2ccccc2)CC1 ZINC000517304929 503710233 /nfs/dbraw/zinc/71/02/33/503710233.db2.gz RMLWDDMJPARZIM-UHFFFAOYSA-N 0 3 370.522 3.365 20 30 FGEDHN COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000533079767 503724232 /nfs/dbraw/zinc/72/42/32/503724232.db2.gz BLYXYMADLDYOGV-INIZCTEOSA-N 0 3 352.434 3.378 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C1)CC2 ZINC000517631142 503791415 /nfs/dbraw/zinc/79/14/15/503791415.db2.gz LXNGOGCUBBBVBY-NMIHRBCNSA-N 0 3 357.457 3.292 20 30 FGEDHN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000543508227 503797426 /nfs/dbraw/zinc/79/74/26/503797426.db2.gz PORJJWPKPDBHPD-UONOGXRCSA-N 0 3 361.511 3.232 20 30 FGEDHN Cc1sc(NC(=O)CNC2(c3ccccc3)CCOCC2)c(C#N)c1C ZINC000533380074 503823693 /nfs/dbraw/zinc/82/36/93/503823693.db2.gz CFEFEQKAJUOHST-UHFFFAOYSA-N 0 3 369.490 3.471 20 30 FGEDHN CN1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC12CCCCC2 ZINC000517754922 503828445 /nfs/dbraw/zinc/82/84/45/503828445.db2.gz IIKDKYIOUQCYHC-UHFFFAOYSA-N 0 3 360.889 3.100 20 30 FGEDHN C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000540607122 503832869 /nfs/dbraw/zinc/83/28/69/503832869.db2.gz OIPNCSPCOXIKGI-OPURJYLOSA-N 0 3 355.388 3.459 20 30 FGEDHN COC(=O)CC1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCCCC1 ZINC000533527011 503876673 /nfs/dbraw/zinc/87/66/73/503876673.db2.gz HYMCDIBYSYKSOI-UHFFFAOYSA-N 0 3 363.483 3.031 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000530235088 503885943 /nfs/dbraw/zinc/88/59/43/503885943.db2.gz VHBOPAUVCKADQI-CKEIUWERSA-N 0 3 360.816 3.236 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3c(cccc3C(F)(F)F)C2)CC1 ZINC000527767764 503934098 /nfs/dbraw/zinc/93/40/98/503934098.db2.gz AGEUAHCMNDXVED-UHFFFAOYSA-N 0 3 367.415 3.424 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000527768089 503934219 /nfs/dbraw/zinc/93/42/19/503934219.db2.gz FABQWUQWGXPNBG-QFIPXVFZSA-N 0 3 369.509 3.206 20 30 FGEDHN FC(F)(F)c1ccc(C#CCNCc2ccc(-n3cncn3)cc2)cc1 ZINC000537500810 503935243 /nfs/dbraw/zinc/93/52/43/503935243.db2.gz UEBNUMBEEKJNMO-UHFFFAOYSA-N 0 3 356.351 3.427 20 30 FGEDHN CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000527807580 503953180 /nfs/dbraw/zinc/95/31/80/503953180.db2.gz LMKCQPYNCPQNIM-QGZVFWFLSA-N 0 3 359.351 3.494 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2CCC)CC1 ZINC000541175604 504032368 /nfs/dbraw/zinc/03/23/68/504032368.db2.gz VLLMITJWHFQALH-UHFFFAOYSA-N 0 3 370.472 3.344 20 30 FGEDHN COc1cc([C@@H](C)NCCOc2ccccc2C#N)cc(OC)c1OC ZINC000538126901 504137958 /nfs/dbraw/zinc/13/79/58/504137958.db2.gz SMDPVHNSVJLOBQ-CQSZACIVSA-N 0 3 356.422 3.314 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000519200426 504163350 /nfs/dbraw/zinc/16/33/50/504163350.db2.gz JXCIGOOUNOVLNY-UHFFFAOYSA-N 0 3 370.428 3.002 20 30 FGEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@H](O)COc1ccccc1C#N ZINC000528363130 504187697 /nfs/dbraw/zinc/18/76/97/504187697.db2.gz GAXVCKHXFFKVHI-RXVVDRJESA-N 0 3 366.461 3.316 20 30 FGEDHN CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1ccccc1C#N)CCC2 ZINC000528425148 504218407 /nfs/dbraw/zinc/21/84/07/504218407.db2.gz MRMNWEUXKCKQRO-NVXWUHKLSA-N 0 3 371.506 3.326 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(C)c2Br)CC1 ZINC000528448795 504228741 /nfs/dbraw/zinc/22/87/41/504228741.db2.gz LTUWHXSXDWFNDT-UHFFFAOYSA-N 0 3 365.315 3.457 20 30 FGEDHN COCCc1noc(CC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000528621534 504298341 /nfs/dbraw/zinc/29/83/41/504298341.db2.gz USSLCICSEIGFIO-OAHLLOKOSA-N 0 3 354.454 3.146 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1[C@H]1CCOC1 ZINC000528999685 504489567 /nfs/dbraw/zinc/48/95/67/504489567.db2.gz NSLUAJIBNKENRS-RDJZCZTQSA-N 0 3 360.417 3.500 20 30 FGEDHN N#CC(C(=O)c1cnc2nccnc2c1)c1nc2ccccc2n1C(F)F ZINC000545449474 504490741 /nfs/dbraw/zinc/49/07/41/504490741.db2.gz YJLBVBUEIZMUPM-NSHDSACASA-N 0 3 364.315 3.260 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CC=CCC2)cc1 ZINC000529081926 504525070 /nfs/dbraw/zinc/52/50/70/504525070.db2.gz NLRPAMVUWYAFDB-GJZGRUSLSA-N 0 3 361.467 3.240 20 30 FGEDHN Cn1cnc2cc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000539408312 504562052 /nfs/dbraw/zinc/56/20/52/504562052.db2.gz CFBXXLFFTLIERO-UHFFFAOYSA-N 0 3 359.477 3.153 20 30 FGEDHN C=CCOc1ccc(CN2CCCN(c3nccc(OCC)n3)CC2)cc1 ZINC000535849993 504564555 /nfs/dbraw/zinc/56/45/55/504564555.db2.gz BOZITNFUKMCBEG-UHFFFAOYSA-N 0 3 368.481 3.152 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)OCC ZINC000535910766 504580413 /nfs/dbraw/zinc/58/04/13/504580413.db2.gz OCMUSWLNONDTEH-WOJBJXKFSA-N 0 3 360.498 3.320 20 30 FGEDHN COCc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000529219415 504589322 /nfs/dbraw/zinc/58/93/22/504589322.db2.gz WZFIUNQCMVSMTD-HXUWFJFHSA-N 0 3 364.449 3.101 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(Cc3ccncc3)c2C)CC1 ZINC000545853984 504616784 /nfs/dbraw/zinc/61/67/84/504616784.db2.gz MFBITWYLHOJKKQ-UHFFFAOYSA-N 0 3 366.509 3.319 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000546005870 504671538 /nfs/dbraw/zinc/67/15/38/504671538.db2.gz ZHNHAEVVSNXJEN-SFHVURJKSA-N 0 3 364.449 3.353 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCCc2ccccc2)CCOC)CC1 ZINC000521584434 504760472 /nfs/dbraw/zinc/76/04/72/504760472.db2.gz JDZSJSUALHMTDP-UHFFFAOYSA-N 0 3 373.541 3.318 20 30 FGEDHN CN1CCN(c2ccncc2NCc2cccc(OCCCC#N)c2)CC1 ZINC000532805370 504762447 /nfs/dbraw/zinc/76/24/47/504762447.db2.gz UDBNVIUIDAEPSA-UHFFFAOYSA-N 0 3 365.481 3.128 20 30 FGEDHN N#Cc1ccccc1OC1CCC(N[C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000556118715 504800106 /nfs/dbraw/zinc/80/01/06/504800106.db2.gz IMMJKYLCHZKLCL-AFMYVXGZSA-N 0 3 374.448 3.141 20 30 FGEDHN N#Cc1ccnc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1Cl ZINC000553000649 504802509 /nfs/dbraw/zinc/80/25/09/504802509.db2.gz RAWLFOULCBNFCE-UHFFFAOYSA-N 0 3 367.884 3.304 20 30 FGEDHN C[C@H](Cc1cccc(Br)c1)NCc1cnc2c(C#N)cnn2c1 ZINC000556198823 504817789 /nfs/dbraw/zinc/81/77/89/504817789.db2.gz XSOPUSFVQXCJIG-GFCCVEGCSA-N 0 3 370.254 3.084 20 30 FGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549608403 504858630 /nfs/dbraw/zinc/85/86/30/504858630.db2.gz ZQMKVEGAZRHFSZ-XQQFMLRXSA-N 0 3 368.403 3.068 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000565416709 504881462 /nfs/dbraw/zinc/88/14/62/504881462.db2.gz BSFQLZUUTKSGHT-GDBMZVCRSA-N 0 3 374.428 3.290 20 30 FGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC000553378918 504898435 /nfs/dbraw/zinc/89/84/35/504898435.db2.gz COGLIULIOMINRR-LSDHHAIUSA-N 0 3 354.372 3.327 20 30 FGEDHN C[C@@H](N[C@H]1CCOC1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562711987 504918595 /nfs/dbraw/zinc/91/85/95/504918595.db2.gz XHNWOBUGDGNGGO-WBMJQRKESA-N 0 3 361.511 3.373 20 30 FGEDHN Cc1cccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000565750130 504976552 /nfs/dbraw/zinc/97/65/52/504976552.db2.gz NEXVDQCTHXNWSW-UHFFFAOYSA-N 0 3 354.479 3.273 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H]1n1cccn1 ZINC000550326995 505023273 /nfs/dbraw/zinc/02/32/73/505023273.db2.gz QAZLMBQBHZRLLQ-ZACQAIPSSA-N 0 3 364.371 3.282 20 30 FGEDHN C=CC[C@@H](CO)NC(=O)Nc1ccc(SCCN2CCCCC2)cc1 ZINC000563096681 505046985 /nfs/dbraw/zinc/04/69/85/505046985.db2.gz UAXMCZYUZKPINO-KRWDZBQOSA-N 0 3 363.527 3.323 20 30 FGEDHN CNC(=O)[C@H](CN[C@H](C)c1ccc(C#N)cc1)Cc1ccc(F)cc1C ZINC000563126089 505055343 /nfs/dbraw/zinc/05/53/43/505055343.db2.gz RHDBPLAOBSSVHY-BEFAXECRSA-N 0 3 353.441 3.261 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCC(CCC#N)CC3)cc2)CC1 ZINC000563189279 505070792 /nfs/dbraw/zinc/07/07/92/505070792.db2.gz VJRVEWSEENAAPP-UHFFFAOYSA-N 0 3 368.525 3.373 20 30 FGEDHN COc1cccc(CN(Cc2ccc(C#N)cn2)C2CCC(O)CC2)c1 ZINC000563351070 505117537 /nfs/dbraw/zinc/11/75/37/505117537.db2.gz VRJQIYMWGXPUBT-UHFFFAOYSA-N 0 3 351.450 3.268 20 30 FGEDHN N#Cc1ccnc(NCCCN2CCN(Cc3ccccc3)CC2)c1Cl ZINC000557520260 505155241 /nfs/dbraw/zinc/15/52/41/505155241.db2.gz ZZFVOEICKYXRAO-UHFFFAOYSA-N 0 3 369.900 3.226 20 30 FGEDHN C=C[C@](C)(CC)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000557564723 505168847 /nfs/dbraw/zinc/16/88/47/505168847.db2.gz FOOWSIRFALPOMA-IFMALSPDSA-N 0 3 355.526 3.007 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000560736513 505172706 /nfs/dbraw/zinc/17/27/06/505172706.db2.gz SLJCCUMJFAIHNT-FPOVZHCZSA-N 0 3 355.526 3.007 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000554428614 505172718 /nfs/dbraw/zinc/17/27/18/505172718.db2.gz UJKGZKCCPSLXJB-KRWDZBQOSA-N 0 3 356.401 3.130 20 30 FGEDHN C=CCOCCCN1CCC(OC)(c2nc(Cc3ccccc3)no2)CC1 ZINC000551719937 505291898 /nfs/dbraw/zinc/29/18/98/505291898.db2.gz IQGBEYYNOWSTQV-UHFFFAOYSA-N 0 3 371.481 3.191 20 30 FGEDHN COc1cc2[nH]c(CCCNCc3nc(C#N)cs3)cc2c(OC)c1 ZINC000554971989 505316909 /nfs/dbraw/zinc/31/69/09/505316909.db2.gz RKLVYPXYTQHNAD-UHFFFAOYSA-N 0 3 356.451 3.236 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000552022397 505372622 /nfs/dbraw/zinc/37/26/22/505372622.db2.gz OKXWTLIXDMTYCQ-LJQANCHMSA-N 0 3 362.477 3.292 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1c(F)cccc1C#N)N(C)C ZINC000552184549 505423306 /nfs/dbraw/zinc/42/33/06/505423306.db2.gz XAZYMUDUWKPWLW-BTYIYWSLSA-N 0 3 353.441 3.356 20 30 FGEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(C(F)(F)F)c1 ZINC000558566533 505424499 /nfs/dbraw/zinc/42/44/99/505424499.db2.gz PPLBJXHJGSEUCK-GOEBONIOSA-N 0 3 351.372 3.068 20 30 FGEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000561762048 505429888 /nfs/dbraw/zinc/42/98/88/505429888.db2.gz JHDJVPWQYKICFU-WFXMLNOXSA-N 0 3 369.509 3.296 20 30 FGEDHN C=CCC[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000552251132 505441375 /nfs/dbraw/zinc/44/13/75/505441375.db2.gz LGCAISPDWNRGHW-LPHOPBHVSA-N 0 3 370.449 3.201 20 30 FGEDHN C[C@H](O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507676 505483684 /nfs/dbraw/zinc/48/36/84/505483684.db2.gz LHGCXAHAYIOZOO-KSFYIVLOSA-N 0 3 367.468 3.373 20 30 FGEDHN CC[C@H](CNC[C@H](O)COc1ccc(C#N)cc1)Oc1ccccc1C ZINC000567682951 505535183 /nfs/dbraw/zinc/53/51/83/505535183.db2.gz CUVDRLJSCGFFJO-RBUKOAKNSA-N 0 3 354.450 3.054 20 30 FGEDHN CN(Cc1ccccn1)[C@@H]1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000555925259 505539943 /nfs/dbraw/zinc/53/99/43/505539943.db2.gz LRTVQQQHESNZCK-QGZVFWFLSA-N 0 3 355.873 3.493 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccccc2C(F)(F)F)cc1F ZINC000567697978 505540275 /nfs/dbraw/zinc/54/02/75/505540275.db2.gz SFZYAKFEYSQXKO-CQSZACIVSA-N 0 3 368.330 3.246 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1cccs1 ZINC000596391480 506384651 /nfs/dbraw/zinc/38/46/51/506384651.db2.gz GRBBMTIKSFGVFG-JFIYKMOQSA-N 0 3 360.527 3.466 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599260031 506388213 /nfs/dbraw/zinc/38/82/13/506388213.db2.gz TWXTYRFAIOJFAV-UHFFFAOYSA-N 0 3 358.482 3.253 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC(c3ccc(F)c(F)c3)CC2)CCOCC1 ZINC000599285239 506396867 /nfs/dbraw/zinc/39/68/67/506396867.db2.gz MXUCRBBBZOHXHA-QGZVFWFLSA-N 0 3 364.436 3.216 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CCN1CCCCC1 ZINC000593111765 506400119 /nfs/dbraw/zinc/40/01/19/506400119.db2.gz IXQSPPPLZBIMQN-KRWDZBQOSA-N 0 3 374.554 3.295 20 30 FGEDHN C[C@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCc2ccc(F)cc21 ZINC000593115019 506401442 /nfs/dbraw/zinc/40/14/42/506401442.db2.gz GCDUAAJKUPZGSH-JXFKEZNVSA-N 0 3 368.452 3.293 20 30 FGEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000599350256 506423240 /nfs/dbraw/zinc/42/32/40/506423240.db2.gz PIEXDPMBHZHINQ-GDBMZVCRSA-N 0 3 368.424 3.400 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000599353283 506424603 /nfs/dbraw/zinc/42/46/03/506424603.db2.gz HIQJDBHXVMQFRA-WMQCIHAUSA-N 0 3 366.461 3.055 20 30 FGEDHN N#CC1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC1 ZINC000593152394 506427773 /nfs/dbraw/zinc/42/77/73/506427773.db2.gz XWPXMQSMDQMTQB-UHFFFAOYSA-N 0 3 372.538 3.483 20 30 FGEDHN CC(C)(CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCc2ccccc2C1 ZINC000612098353 506434582 /nfs/dbraw/zinc/43/45/82/506434582.db2.gz PCWZJTOEXJJANV-NRFANRHFSA-N 0 3 354.498 3.159 20 30 FGEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000599395374 506441586 /nfs/dbraw/zinc/44/15/86/506441586.db2.gz HOEIMPADWQRNQT-MOPGFXCFSA-N 0 3 374.868 3.271 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCOCC1 ZINC000599402088 506443062 /nfs/dbraw/zinc/44/30/62/506443062.db2.gz IQDGKLXOZMWMAW-CABCVRRESA-N 0 3 360.420 3.112 20 30 FGEDHN CC1(C)C[C@@H](N(Cc2ccccc2)C[C@@H](O)CC2(C#N)CCOCC2)CO1 ZINC000599462289 506464700 /nfs/dbraw/zinc/46/47/00/506464700.db2.gz OHDKWFLWIMBASV-UXHICEINSA-N 0 3 372.509 3.127 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)cc1F ZINC000599468919 506466167 /nfs/dbraw/zinc/46/61/67/506466167.db2.gz AMTIOCKMBCQOHS-FUHWJXTLSA-N 0 3 362.445 3.043 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)cc1F ZINC000599468920 506466217 /nfs/dbraw/zinc/46/62/17/506466217.db2.gz AMTIOCKMBCQOHS-SJLPKXTDSA-N 0 3 362.445 3.043 20 30 FGEDHN C[C@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)Oc1cccc(Cl)c1 ZINC000582900590 506480198 /nfs/dbraw/zinc/48/01/98/506480198.db2.gz QTDOWASSAFHQNS-CRAIPNDOSA-N 0 3 374.868 3.203 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)c1ccco1 ZINC000596599376 506482895 /nfs/dbraw/zinc/48/28/95/506482895.db2.gz VKYANJRHPXVFSF-YJBOKZPZSA-N 0 3 354.454 3.122 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516858 506483627 /nfs/dbraw/zinc/48/36/27/506483627.db2.gz YIFNROWGRZUTRG-DLBZAZTESA-N 0 3 364.436 3.216 20 30 FGEDHN CC(C)OC[C@@H](CO)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000589205005 506483770 /nfs/dbraw/zinc/48/37/70/506483770.db2.gz GSXVFUIQEDILEG-OAQYLSRUSA-N 0 3 368.477 3.355 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC1 ZINC000608323322 506507366 /nfs/dbraw/zinc/50/73/66/506507366.db2.gz PRZJPLMVHFSCEF-UHFFFAOYSA-N 0 3 367.453 3.349 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000593297252 506521304 /nfs/dbraw/zinc/52/13/04/506521304.db2.gz XRENERZQHJAENQ-SFHVURJKSA-N 0 3 366.490 3.482 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCCc1ccc(C#N)cc1 ZINC000596672432 506524818 /nfs/dbraw/zinc/52/48/18/506524818.db2.gz JDLFQQHHICJRMW-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000596676835 506526417 /nfs/dbraw/zinc/52/64/17/506526417.db2.gz GJWBOXAVYFIOHX-INIZCTEOSA-N 0 3 360.458 3.165 20 30 FGEDHN CC1(C)[C@@H](c2ccc(F)cc2)CCN1CC(=O)N(CCC#N)CCC#N ZINC000599623899 506534867 /nfs/dbraw/zinc/53/48/67/506534867.db2.gz WKSFJFOMTGSHEU-GOSISDBHSA-N 0 3 356.445 3.050 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)ccc1Cl ZINC000599626963 506538568 /nfs/dbraw/zinc/53/85/68/506538568.db2.gz SXRAGLMCDCPSGT-XLPNERPQSA-N 0 3 363.889 3.297 20 30 FGEDHN CC(C)N(C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1)C1CCCC1 ZINC000599631310 506540539 /nfs/dbraw/zinc/54/05/39/506540539.db2.gz RGDQUCNKYSNJQG-UHFFFAOYSA-N 0 3 369.509 3.333 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C2 ZINC000593350348 506562048 /nfs/dbraw/zinc/56/20/48/506562048.db2.gz TXSSRAFLWOUSSX-HXUWFJFHSA-N 0 3 360.461 3.248 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)CN1Cc1ccccc1 ZINC000593374841 506583671 /nfs/dbraw/zinc/58/36/71/506583671.db2.gz LTPJFBUNKAEYSK-OXJNMPFZSA-N 0 3 360.461 3.246 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCCC(F)(F)C2)cc1 ZINC000583140119 506611154 /nfs/dbraw/zinc/61/11/54/506611154.db2.gz NSGILNBHKHPDQW-OAHLLOKOSA-N 0 3 356.438 3.137 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000596909845 506671923 /nfs/dbraw/zinc/67/19/23/506671923.db2.gz AMRPQHUZVTWSAF-LJQANCHMSA-N 0 3 366.440 3.478 20 30 FGEDHN N#C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1cccc(Br)c1 ZINC000612652815 506673659 /nfs/dbraw/zinc/67/36/59/506673659.db2.gz RUKUNZNJLNZKQW-JKSUJKDBSA-N 0 3 362.271 3.004 20 30 FGEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980589 506710499 /nfs/dbraw/zinc/71/04/99/506710499.db2.gz QZFJXPYPIBTASR-OAHLLOKOSA-N 0 3 369.490 3.082 20 30 FGEDHN C[C@H]1CCCN(CCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000608811784 506717476 /nfs/dbraw/zinc/71/74/76/506717476.db2.gz RDQJNTDGXFWBOF-INIZCTEOSA-N 0 3 367.449 3.192 20 30 FGEDHN CC(C)O[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000593661838 506719095 /nfs/dbraw/zinc/71/90/95/506719095.db2.gz YUHZYCXAHVISRC-LJQANCHMSA-N 0 3 353.470 3.248 20 30 FGEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000604124871 506723515 /nfs/dbraw/zinc/72/35/15/506723515.db2.gz NOCUXFOAZVCYRE-UHFFFAOYSA-N 0 3 352.276 3.036 20 30 FGEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](O)COCc1ccccc1 ZINC000596999244 506723881 /nfs/dbraw/zinc/72/38/81/506723881.db2.gz BZNDLHIKKXLJNK-OAQYLSRUSA-N 0 3 350.462 3.251 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000597001072 506725122 /nfs/dbraw/zinc/72/51/22/506725122.db2.gz PPNFYGKUDDDVJS-OPYAIIAOSA-N 0 3 353.510 3.315 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNc1cccc(Cl)c1 ZINC000608868893 506730619 /nfs/dbraw/zinc/73/06/19/506730619.db2.gz HHCOMIVKOXYKST-UHFFFAOYSA-N 0 3 370.884 3.214 20 30 FGEDHN C[C@H](C(=O)NCC#Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000599983874 506735479 /nfs/dbraw/zinc/73/54/79/506735479.db2.gz AWIXUKUAKSZASV-HXUWFJFHSA-N 0 3 360.501 3.498 20 30 FGEDHN CCOC(=O)C1(COC)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597116222 506784644 /nfs/dbraw/zinc/78/46/44/506784644.db2.gz GLJLVPOZHQFQKH-UHFFFAOYSA-N 0 3 356.466 3.033 20 30 FGEDHN Cc1nc2c(s1)[C@H](N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000583459406 506790032 /nfs/dbraw/zinc/79/00/32/506790032.db2.gz LGXOYNPTVZSRGB-QZTJIDSGSA-N 0 3 366.490 3.486 20 30 FGEDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597127412 506790940 /nfs/dbraw/zinc/79/09/40/506790940.db2.gz SXKLSVUMFQAZNX-OAQYLSRUSA-N 0 3 356.466 3.033 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCc3ccc(O)cc3CC2)cc1Cl ZINC000609146026 506793486 /nfs/dbraw/zinc/79/34/86/506793486.db2.gz VYYRHSKNHJOEMX-UHFFFAOYSA-N 0 3 369.852 3.347 20 30 FGEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC000590444339 506824040 /nfs/dbraw/zinc/82/40/40/506824040.db2.gz KTGAWPAQMQMFTG-ICSRJNTNSA-N 0 3 361.445 3.435 20 30 FGEDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000590447058 506826132 /nfs/dbraw/zinc/82/61/32/506826132.db2.gz YANFYQWKSSAUTO-HKUYNNGSSA-N 0 3 363.486 3.486 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cc2)N(C)C)cc1 ZINC000590532391 506852464 /nfs/dbraw/zinc/85/24/64/506852464.db2.gz QYJVWYALLRHZOX-IBGZPJMESA-N 0 3 368.506 3.111 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597308647 506889516 /nfs/dbraw/zinc/88/95/16/506889516.db2.gz CHWLXNGLHVLDPT-INIZCTEOSA-N 0 3 355.388 3.183 20 30 FGEDHN CC(C)OC(=O)C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000594047802 506905602 /nfs/dbraw/zinc/90/56/02/506905602.db2.gz ZJFBAJJXMNAFHN-RTBURBONSA-N 0 3 371.481 3.010 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597355172 506909996 /nfs/dbraw/zinc/90/99/96/506909996.db2.gz JJTIIAUMONIVLZ-XOBRGWDASA-N 0 3 369.415 3.477 20 30 FGEDHN N#Cc1ccsc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000609531298 506910545 /nfs/dbraw/zinc/91/05/45/506910545.db2.gz OSQQAHXSBUCZTG-UHFFFAOYSA-N 0 3 355.463 3.024 20 30 FGEDHN CCC(C)(C)N1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000594092928 506935570 /nfs/dbraw/zinc/93/55/70/506935570.db2.gz JLRWBWAZSVSQHG-UHFFFAOYSA-N 0 3 359.474 3.102 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCCCC2)O1 ZINC000594204472 507006549 /nfs/dbraw/zinc/00/65/49/507006549.db2.gz QSXQVAWTIDXELY-APWZRJJASA-N 0 3 351.450 3.191 20 30 FGEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000609840310 507020611 /nfs/dbraw/zinc/02/06/11/507020611.db2.gz GFWTVTCCTPDCDS-AWEZNQCLSA-N 0 3 357.454 3.358 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609876749 507035031 /nfs/dbraw/zinc/03/50/31/507035031.db2.gz FJXJCIIUABPKGD-GOSISDBHSA-N 0 3 364.449 3.350 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594248064 507041497 /nfs/dbraw/zinc/04/14/97/507041497.db2.gz JKSAGBGBKXVZEW-XUVXKRRUSA-N 0 3 352.482 3.252 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C#N ZINC000609916160 507048297 /nfs/dbraw/zinc/04/82/97/507048297.db2.gz DRUADOMJTCQKAX-INIZCTEOSA-N 0 3 368.506 3.155 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594281008 507060215 /nfs/dbraw/zinc/06/02/15/507060215.db2.gz AIKQVVXDMPBNLQ-WOJBJXKFSA-N 0 3 352.482 3.273 20 30 FGEDHN CSCc1cc(F)ccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600732397 507089374 /nfs/dbraw/zinc/08/93/74/507089374.db2.gz YQXROTZZTRUEGV-GOSISDBHSA-N 0 3 360.454 3.090 20 30 FGEDHN CC[C@H](CCc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000600762983 507107103 /nfs/dbraw/zinc/10/71/03/507107103.db2.gz OESXRVOYPHADRB-LJQANCHMSA-N 0 3 356.491 3.333 20 30 FGEDHN CC[C@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613497412 507118955 /nfs/dbraw/zinc/11/89/55/507118955.db2.gz IQFWNCPTTHRTEB-LEWJYISDSA-N 0 3 350.462 3.329 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000594426541 507127104 /nfs/dbraw/zinc/12/71/04/507127104.db2.gz FCAOVCLQZNCTLF-GFCCVEGCSA-N 0 3 350.875 3.020 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000594428537 507128101 /nfs/dbraw/zinc/12/81/01/507128101.db2.gz MQZVETSFHGGZHB-OALUTQOASA-N 0 3 369.440 3.473 20 30 FGEDHN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594429999 507128650 /nfs/dbraw/zinc/12/86/50/507128650.db2.gz YSZVIRAGIBHXTM-MAUKXSAKSA-N 0 3 373.501 3.149 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000594443413 507134951 /nfs/dbraw/zinc/13/49/51/507134951.db2.gz HDLWVGALTSWDEM-HNNXBMFYSA-N 0 3 364.287 3.008 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000594443414 507135495 /nfs/dbraw/zinc/13/54/95/507135495.db2.gz HDLWVGALTSWDEM-OAHLLOKOSA-N 0 3 364.287 3.008 20 30 FGEDHN CCCN(C(=O)[C@@H](N)CCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594440447 507133746 /nfs/dbraw/zinc/13/37/46/507133746.db2.gz CKFDBQXIBXNWHT-SFTDATJTSA-N 0 3 370.541 3.301 20 30 FGEDHN Cc1cc(Br)cc2c1CN(C(=O)[C@H](N)CCCCC#N)CC2 ZINC000594444213 507136677 /nfs/dbraw/zinc/13/66/77/507136677.db2.gz ZVWJROYVRTUXNC-MRXNPFEDSA-N 0 3 364.287 3.054 20 30 FGEDHN Cc1nc(CNC(=O)[C@H](N)CCCCC#N)oc1-c1ccc(Cl)cc1 ZINC000594445667 507137648 /nfs/dbraw/zinc/13/76/48/507137648.db2.gz JTJODAYRDVFHCE-OAHLLOKOSA-N 0 3 360.845 3.331 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(COc2cccc(F)c2)cc1 ZINC000594449424 507138931 /nfs/dbraw/zinc/13/89/31/507138931.db2.gz IZPCYQKZPMSXFZ-FQEVSTJZSA-N 0 3 369.440 3.432 20 30 FGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000594500287 507157301 /nfs/dbraw/zinc/15/73/01/507157301.db2.gz MFALSSDFPRHAMN-FQEVSTJZSA-N 0 3 362.477 3.164 20 30 FGEDHN C[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594509814 507161175 /nfs/dbraw/zinc/16/11/75/507161175.db2.gz HVYKLDWTRWLSOA-MCIONIFRSA-N 0 3 355.404 3.164 20 30 FGEDHN CN(C)CCOc1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)ccn1 ZINC000613628623 507188926 /nfs/dbraw/zinc/18/89/26/507188926.db2.gz IQUXURHCPUURQP-UHFFFAOYSA-N 0 3 372.513 3.250 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C ZINC000610321431 507193966 /nfs/dbraw/zinc/19/39/66/507193966.db2.gz UJSNHQRSGCZBSG-GDBMZVCRSA-N 0 3 365.437 3.350 20 30 FGEDHN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccnn2C)c1 ZINC000584176625 507196121 /nfs/dbraw/zinc/19/61/21/507196121.db2.gz PEBMCTXHFQPLEU-IBGZPJMESA-N 0 3 373.460 3.316 20 30 FGEDHN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCN(C2CC2)C1 ZINC000591406498 507237883 /nfs/dbraw/zinc/23/78/83/507237883.db2.gz KLAFRKYYVCSJKT-MGPUTAFESA-N 0 3 352.482 3.061 20 30 FGEDHN COC[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc(OC)c1 ZINC000598063629 507239574 /nfs/dbraw/zinc/23/95/74/507239574.db2.gz CUZUWEVPAJTDET-QUCCMNQESA-N 0 3 352.434 3.271 20 30 FGEDHN CCN(CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)CCCC#N ZINC000594840690 507295450 /nfs/dbraw/zinc/29/54/50/507295450.db2.gz SSZGOEHDONDJQV-UHFFFAOYSA-N 0 3 371.934 3.117 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CCC[C@@H]3C#N)c(C)c2)CC1 ZINC000601239507 507307295 /nfs/dbraw/zinc/30/72/95/507307295.db2.gz MENHWEVSSQVRSK-XLIONFOSSA-N 0 3 369.513 3.293 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCCSc2ccccc2)c1 ZINC000591722906 507340519 /nfs/dbraw/zinc/34/05/19/507340519.db2.gz ARLFQFSNPLSPSX-UHFFFAOYSA-N 0 3 360.504 3.104 20 30 FGEDHN N#Cc1ccc(CNC2(CN3CCN(c4ccccc4)CC3)CC2)cc1F ZINC000594990525 507345476 /nfs/dbraw/zinc/34/54/76/507345476.db2.gz ZSGPGTWZRWGELC-UHFFFAOYSA-N 0 3 364.468 3.142 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000591749616 507346600 /nfs/dbraw/zinc/34/66/00/507346600.db2.gz BSFQLZUUTKSGHT-ZBFHGGJFSA-N 0 3 374.428 3.290 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000591749615 507347103 /nfs/dbraw/zinc/34/71/03/507347103.db2.gz BSFQLZUUTKSGHT-HOCLYGCPSA-N 0 3 374.428 3.290 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000591762633 507352529 /nfs/dbraw/zinc/35/25/29/507352529.db2.gz OOATXUXKHAECKE-AZUAARDMSA-N 0 3 368.502 3.333 20 30 FGEDHN CSc1ccc(OC[C@@H](O)CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764884 507352878 /nfs/dbraw/zinc/35/28/78/507352878.db2.gz OLWPBCWSKXITHJ-OXJNMPFZSA-N 0 3 354.475 3.297 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000591768327 507353903 /nfs/dbraw/zinc/35/39/03/507353903.db2.gz YSQSEGGAGYQJQC-QRWLVFNGSA-N 0 3 358.388 3.243 20 30 FGEDHN C=CC[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595030760 507360597 /nfs/dbraw/zinc/36/05/97/507360597.db2.gz AJWQTMPZVOOHPV-RHSMWYFYSA-N 0 3 352.456 3.093 20 30 FGEDHN CC(C)(C#N)c1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000614160031 507388837 /nfs/dbraw/zinc/38/88/37/507388837.db2.gz OTWIEUHODWVHBH-UHFFFAOYSA-N 0 3 367.415 3.378 20 30 FGEDHN COc1ccc2ncc(C#N)c(NC[C@@H](c3ccsc3)N(C)C)c2c1 ZINC000591896353 507400579 /nfs/dbraw/zinc/40/05/79/507400579.db2.gz LHNXANKLMGCUNY-SFHVURJKSA-N 0 3 352.463 3.313 20 30 FGEDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000610822000 507403330 /nfs/dbraw/zinc/40/33/30/507403330.db2.gz VOTNYPCJGUEPEE-NQIIRXRSSA-N 0 3 351.450 3.033 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccnc(C#N)c1 ZINC000610957087 507454890 /nfs/dbraw/zinc/45/48/90/507454890.db2.gz PQZIUYSRBVNLDG-UHFFFAOYSA-N 0 3 368.510 3.051 20 30 FGEDHN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)NC2(C#N)CCC2)cc1 ZINC000584710848 507464465 /nfs/dbraw/zinc/46/44/65/507464465.db2.gz IJKDKUQTZPNFGQ-HXUWFJFHSA-N 0 3 363.461 3.131 20 30 FGEDHN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000584729503 507474024 /nfs/dbraw/zinc/47/40/24/507474024.db2.gz AWEZGHIBTZLXSJ-UYAOXDASSA-N 0 3 371.525 3.018 20 30 FGEDHN CCCc1ccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000598637394 507527957 /nfs/dbraw/zinc/52/79/57/507527957.db2.gz NTWNBCLJMDQEDX-LJQANCHMSA-N 0 3 353.491 3.463 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000601966557 507532288 /nfs/dbraw/zinc/53/22/88/507532288.db2.gz RGXOCONFJURGRI-NSHGMRRFSA-N 0 3 372.852 3.071 20 30 FGEDHN N#Cc1ccc(CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC000595557400 507559235 /nfs/dbraw/zinc/55/92/35/507559235.db2.gz IEOYNNUCTLSJJL-PKTZIBPZSA-N 0 3 361.489 3.076 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000598718747 507566716 /nfs/dbraw/zinc/56/67/16/507566716.db2.gz CXWBFMKFHQBKKE-LJQANCHMSA-N 0 3 369.440 3.468 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595636764 507606897 /nfs/dbraw/zinc/60/68/97/507606897.db2.gz ISZFUBHDTNOTPF-UWJYYQICSA-N 0 3 362.477 3.063 20 30 FGEDHN CCOc1ccc(OC[C@H](O)CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000595641394 507608838 /nfs/dbraw/zinc/60/88/38/507608838.db2.gz KQTUDKUTDIPVDI-GOSISDBHSA-N 0 3 354.450 3.222 20 30 FGEDHN C[C@H](NCC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc(C#N)c(F)c1 ZINC000592393081 507634160 /nfs/dbraw/zinc/63/41/60/507634160.db2.gz DEHWILQVSSQESG-AWEZNQCLSA-N 0 3 362.445 3.486 20 30 FGEDHN COC(=O)C(C)(C)[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000611406611 507668017 /nfs/dbraw/zinc/66/80/17/507668017.db2.gz RYMPLXDKHGQUOO-LJQANCHMSA-N 0 3 352.434 3.467 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000586795068 507673609 /nfs/dbraw/zinc/67/36/09/507673609.db2.gz LWUHRZSLZDTXDR-UYAOXDASSA-N 0 3 352.482 3.205 20 30 FGEDHN N#Cc1cnn2cc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)cnc12 ZINC000592496691 507680291 /nfs/dbraw/zinc/68/02/91/507680291.db2.gz DOKDNVYCPNJDME-OAHLLOKOSA-N 0 3 358.405 3.122 20 30 FGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000595784456 507683454 /nfs/dbraw/zinc/68/34/54/507683454.db2.gz KEUPBTUGCFUFMS-JXFKEZNVSA-N 0 3 354.498 3.355 20 30 FGEDHN CN1CCC(n2cc(NC(=O)NC(C)(C)c3cccc(C#N)c3)cn2)CC1 ZINC000602403126 507696029 /nfs/dbraw/zinc/69/60/29/507696029.db2.gz VVVFBJKOLRNYSC-UHFFFAOYSA-N 0 3 366.469 3.078 20 30 FGEDHN CCCCNC(=O)c1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602514326 507733083 /nfs/dbraw/zinc/73/30/83/507733083.db2.gz JJAMFBNUHDJXOO-KRWDZBQOSA-N 0 3 357.498 3.405 20 30 FGEDHN CCOc1c(OC)cc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602524965 507737230 /nfs/dbraw/zinc/73/72/30/507737230.db2.gz PGPROYMNHHHVCD-HNNXBMFYSA-N 0 3 362.470 3.291 20 30 FGEDHN CC1(C)C[C@@]1(NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000595911825 507739118 /nfs/dbraw/zinc/73/91/18/507739118.db2.gz ZEJGJHSNOQFYQJ-DENIHFKCSA-N 0 3 350.462 3.407 20 30 FGEDHN C=CCOc1ccccc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602553209 507748105 /nfs/dbraw/zinc/74/81/05/507748105.db2.gz WMVBGBHQFKEQIZ-UHFFFAOYSA-N 0 3 368.437 3.313 20 30 FGEDHN Cc1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc1-n1cnnn1 ZINC000330334765 568254577 /nfs/dbraw/zinc/25/45/77/568254577.db2.gz QYUDRWJQEASOAJ-KRWDZBQOSA-N 0 3 354.458 3.356 20 30 FGEDHN CC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222002 606963823 /nfs/dbraw/zinc/96/38/23/606963823.db2.gz NEVQVLNPCMDFNL-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222002 606963824 /nfs/dbraw/zinc/96/38/24/606963824.db2.gz NEVQVLNPCMDFNL-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222002 606963825 /nfs/dbraw/zinc/96/38/25/606963825.db2.gz NEVQVLNPCMDFNL-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222002 606963826 /nfs/dbraw/zinc/96/38/26/606963826.db2.gz NEVQVLNPCMDFNL-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCOc2ccccc21 ZINC000823914435 608632541 /nfs/dbraw/zinc/63/25/41/608632541.db2.gz IPRZDKJXTBOTQQ-SFHVURJKSA-N 0 3 361.449 3.421 20 30 FGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCOc2ccccc21 ZINC000823914435 608632542 /nfs/dbraw/zinc/63/25/42/608632542.db2.gz IPRZDKJXTBOTQQ-SFHVURJKSA-N 0 3 361.449 3.421 20 30 FGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCOc2ccccc21 ZINC000823914435 608632543 /nfs/dbraw/zinc/63/25/43/608632543.db2.gz IPRZDKJXTBOTQQ-SFHVURJKSA-N 0 3 361.449 3.421 20 30 FGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCOc2ccccc21 ZINC000823914435 608632544 /nfs/dbraw/zinc/63/25/44/608632544.db2.gz IPRZDKJXTBOTQQ-SFHVURJKSA-N 0 3 361.449 3.421 20 30 FGEDHN C=C(Br)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077553755 700255809 /nfs/dbraw/zinc/25/58/09/700255809.db2.gz SNYLRMOFWLZYJR-OAHLLOKOSA-N 0 3 366.303 3.201 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000089336231 700389264 /nfs/dbraw/zinc/38/92/64/700389264.db2.gz UUAOYIHLHHLNHO-CYBMUJFWSA-N 0 3 353.293 3.386 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000131148049 700811034 /nfs/dbraw/zinc/81/10/34/700811034.db2.gz RQTATHMOPXDUIF-DLBZAZTESA-N 0 3 361.536 3.478 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c(C)c2F)CC1 ZINC000194786062 713534494 /nfs/dbraw/zinc/53/44/94/713534494.db2.gz PXDGVGTYGPKFGT-UHFFFAOYSA-N 0 3 353.235 3.180 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(C2CC2)n1 ZINC000194895578 713538654 /nfs/dbraw/zinc/53/86/54/713538654.db2.gz PSUJWFAFACHQRO-UHFFFAOYSA-N 0 3 354.479 3.096 20 30 FGEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2OC(F)(F)F)CC1 ZINC000255507902 713697832 /nfs/dbraw/zinc/69/78/32/713697832.db2.gz KWGMIQBAJLYUNZ-FPLPWBNLSA-N 0 3 354.372 3.365 20 30 FGEDHN CN(c1ncc(Br)cc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309740175 713796662 /nfs/dbraw/zinc/79/66/62/713796662.db2.gz VORQSWJGMKNGFH-KRWDZBQOSA-N 0 3 371.282 3.426 20 30 FGEDHN N#Cc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)s1 ZINC000526945690 714413988 /nfs/dbraw/zinc/41/39/88/714413988.db2.gz RYHJIERWPINAOZ-UHFFFAOYSA-N 0 3 357.401 3.155 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccnc(C)c1 ZINC000621993121 715044889 /nfs/dbraw/zinc/04/48/89/715044889.db2.gz WSTIGSUCILEKEH-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000804267222 724501479 /nfs/dbraw/zinc/50/14/79/724501479.db2.gz MLVZLCIJYSZSLK-UHFFFAOYSA-N 0 3 372.266 3.281 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000668368737 721282344 /nfs/dbraw/zinc/28/23/44/721282344.db2.gz FIKWIXCXKPEVIM-UHFFFAOYSA-N 0 3 368.300 3.372 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000783530961 724761995 /nfs/dbraw/zinc/76/19/95/724761995.db2.gz FKLJQQOOLIYYBB-HXUWFJFHSA-N 0 3 359.491 3.169 20 30 FGEDHN C#CCN(C[C@@H](C)COC)[C@H]1CCOc2ccc(Br)cc21 ZINC000783565979 724765648 /nfs/dbraw/zinc/76/56/48/724765648.db2.gz AANWIVDOFHIBHV-CJNGLKHVSA-N 0 3 352.272 3.490 20 30 FGEDHN CCSc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2OC)cn1 ZINC000727954782 722448836 /nfs/dbraw/zinc/44/88/36/722448836.db2.gz VGCULNJFXKXPTM-CYBMUJFWSA-N 0 3 355.419 3.163 20 30 FGEDHN COC(=O)N[C@@H](CC(C)C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417115 722468304 /nfs/dbraw/zinc/46/83/04/722468304.db2.gz KXSMGTSSNUSDNA-AAEUAGOBSA-N 0 3 363.414 3.382 20 30 FGEDHN CCOC(=O)N[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000730422384 722468345 /nfs/dbraw/zinc/46/83/45/722468345.db2.gz XCVFYPVWGREYFC-BXUZGUMPSA-N 0 3 363.414 3.382 20 30 FGEDHN C=C(Br)CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000734273445 722505650 /nfs/dbraw/zinc/50/56/50/722505650.db2.gz MWIHQRSJZMRQCN-INIZCTEOSA-N 0 3 366.303 3.421 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)n2cccc2)cc1Cl ZINC000735206089 722513371 /nfs/dbraw/zinc/51/33/71/722513371.db2.gz IXZSNMWMJHHWPD-OCCSQVGLSA-N 0 3 359.813 3.449 20 30 FGEDHN N#CC(C(=O)C[C@H]1CCOC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000740529903 722536415 /nfs/dbraw/zinc/53/64/15/722536415.db2.gz YGWNOBLPSDSLOG-ZWNOBZJWSA-N 0 3 354.378 3.075 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[O-] ZINC000741465307 722546189 /nfs/dbraw/zinc/54/61/89/722546189.db2.gz UESPHFFCQFMEEJ-DIFHSRHFSA-N 0 3 359.495 3.151 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[O-] ZINC000741465307 722546190 /nfs/dbraw/zinc/54/61/90/722546190.db2.gz UESPHFFCQFMEEJ-DIFHSRHFSA-N 0 3 359.495 3.151 20 30 FGEDHN C=CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccncc1 ZINC000749130051 722716904 /nfs/dbraw/zinc/71/69/04/722716904.db2.gz VPXDJABDINXSMC-KXBFYZLASA-N 0 3 359.495 3.300 20 30 FGEDHN N#CC(C(=O)CCOCC1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000751826192 722829210 /nfs/dbraw/zinc/82/92/10/722829210.db2.gz DVHIWLOYEHKFMM-GFCCVEGCSA-N 0 3 355.221 3.457 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753800253 722913612 /nfs/dbraw/zinc/91/36/12/722913612.db2.gz CULKJZKEKFYHQL-JTQLQIEISA-N 0 3 356.756 3.350 20 30 FGEDHN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000760197436 723042765 /nfs/dbraw/zinc/04/27/65/723042765.db2.gz YEFVEPQPJOOXHT-MLGOLLRUSA-N 0 3 360.841 3.317 20 30 FGEDHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000790438559 723140191 /nfs/dbraw/zinc/14/01/91/723140191.db2.gz WJOXPYFTPDUBAQ-SOUVJXGZSA-N 0 3 357.479 3.098 20 30 FGEDHN CCC[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)CCN1CCOC ZINC000766971832 723601988 /nfs/dbraw/zinc/60/19/88/723601988.db2.gz DYXODLHPXWZKBO-GOSISDBHSA-N 0 3 365.905 3.175 20 30 FGEDHN CCC(=O)N[C@@H](CCSC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567758 723835772 /nfs/dbraw/zinc/83/57/72/723835772.db2.gz BETKINVIKDMSRT-RYUDHWBXSA-N 0 3 367.540 3.265 20 30 FGEDHN N#CCN1CCC(NCc2nc3ccc(Br)cc3s2)CC1 ZINC000774992016 723949075 /nfs/dbraw/zinc/94/90/75/723949075.db2.gz JRUJQOXLBFMSKO-UHFFFAOYSA-N 0 3 365.300 3.136 20 30 FGEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000775573193 724001581 /nfs/dbraw/zinc/00/15/81/724001581.db2.gz XFKHUKDSVKCYGT-VBNZEHGJSA-N 0 3 354.372 3.193 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800410294 724193382 /nfs/dbraw/zinc/19/33/82/724193382.db2.gz UUIPSWOVXZRTND-VXGBXAGGSA-N 0 3 356.319 3.115 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCc3ccccc3OC2)cc1Cl ZINC000801575910 724316269 /nfs/dbraw/zinc/31/62/69/724316269.db2.gz MYLDARFQYOGCJR-INIZCTEOSA-N 0 3 355.825 3.134 20 30 FGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000802044917 724354870 /nfs/dbraw/zinc/35/48/70/724354870.db2.gz ATYPDIAPHVDTAG-ZIAGYGMSSA-N 0 3 356.319 3.484 20 30 FGEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)NCc1ccc(F)cc1F ZINC000802213018 724364835 /nfs/dbraw/zinc/36/48/35/724364835.db2.gz LSHMWRILZKEMLZ-GFCCVEGCSA-N 0 3 368.792 3.247 20 30 FGEDHN COC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000786303412 724972234 /nfs/dbraw/zinc/97/22/34/724972234.db2.gz GJLOOILPFUFBTD-GFCCVEGCSA-N 0 3 356.394 3.464 20 30 FGEDHN C#C[C@H](NC(=O)NC1CCN(CC(=C)C)CC1)c1ccc(Cl)cc1F ZINC000805080166 725048596 /nfs/dbraw/zinc/04/85/96/725048596.db2.gz DPHSHWGMGPMLMF-SFHVURJKSA-N 0 3 363.864 3.493 20 30 FGEDHN C#C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc(Cl)cc1F ZINC000805364474 725067003 /nfs/dbraw/zinc/06/70/03/725067003.db2.gz MIAZDOJYLDRZPB-QAPCUYQASA-N 0 3 363.864 3.470 20 30 FGEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc(Cl)cc1F ZINC000805364467 725067029 /nfs/dbraw/zinc/06/70/29/725067029.db2.gz MIAZDOJYLDRZPB-CRAIPNDOSA-N 0 3 363.864 3.470 20 30 FGEDHN C=C(Cl)CN[C@H](C)C1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788641330 725077910 /nfs/dbraw/zinc/07/79/10/725077910.db2.gz DAMXPLRBWPPEFQ-CQSZACIVSA-N 0 3 374.909 3.297 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc([S@](C)=O)cc3)nc21 ZINC000805884471 725102293 /nfs/dbraw/zinc/10/22/93/725102293.db2.gz PUAYCTWXVFWNHB-BZQUYTCOSA-N 0 3 351.431 3.028 20 30 FGEDHN C#C[C@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(C)(C)C ZINC000808299421 725192679 /nfs/dbraw/zinc/19/26/79/725192679.db2.gz LRXBOWHHXKOBLB-NRXISQOPSA-N 0 3 359.436 3.139 20 30 FGEDHN C#C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)C(C)C ZINC000809685786 725258665 /nfs/dbraw/zinc/25/86/65/725258665.db2.gz QQMWMBYIICZEJT-MRXNPFEDSA-N 0 3 351.288 3.033 20 30 FGEDHN N#CC(C(=O)COc1cc(F)cc(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000810528484 725312629 /nfs/dbraw/zinc/31/26/29/725312629.db2.gz SSUPHKSBGRVVIL-HNNXBMFYSA-N 0 3 364.735 3.345 20 30 FGEDHN CSC1(C/N=C\c2cc(Br)ccc2[O-])CC[NH+](C)CC1 ZINC000811625916 725375150 /nfs/dbraw/zinc/37/51/50/725375150.db2.gz YLWAHXCVPBDIOM-YVLHZVERSA-N 0 3 357.317 3.401 20 30 FGEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000812015989 725387398 /nfs/dbraw/zinc/38/73/98/725387398.db2.gz YBZKDNBRIJBRHI-CZUORRHYSA-N 0 3 355.404 3.409 20 30 FGEDHN C#CCN(C)CCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000818593351 727315787 /nfs/dbraw/zinc/31/57/87/727315787.db2.gz VJNRYKAGXVEDIG-UHFFFAOYSA-N 0 3 359.322 3.298 20 30 FGEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000818599196 727316175 /nfs/dbraw/zinc/31/61/75/727316175.db2.gz DCOHHSDBSQDYAQ-UHFFFAOYSA-N 0 3 361.536 3.221 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1c(CC)onc1-c1ccccc1Cl ZINC000818609408 727316734 /nfs/dbraw/zinc/31/67/34/727316734.db2.gz UAUYIIWPEWKRBU-UHFFFAOYSA-N 0 3 359.857 3.242 20 30 FGEDHN CN(C)c1ccc(NC(=O)CCNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000819296510 727365405 /nfs/dbraw/zinc/36/54/05/727365405.db2.gz YPLHVIIANAZNHI-UHFFFAOYSA-N 0 3 356.857 3.396 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000828025659 729438741 /nfs/dbraw/zinc/43/87/41/729438741.db2.gz OYRCZVZUGOJZNL-KRWDZBQOSA-N 0 3 354.479 3.270 20 30 FGEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC2(CCC2)O1 ZINC000830734247 729589875 /nfs/dbraw/zinc/58/98/75/729589875.db2.gz JMLPLJFJYAFJJP-KGLIPLIRSA-N 0 3 355.463 3.116 20 30 FGEDHN COC[C@@]1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCOC1 ZINC000835073464 729856612 /nfs/dbraw/zinc/85/66/12/729856612.db2.gz MRXADRSBRZQDOR-BZNIZROVSA-N 0 3 350.827 3.179 20 30 FGEDHN C#CCCOc1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000838185435 730097925 /nfs/dbraw/zinc/09/79/25/730097925.db2.gz GFOZPIKLOTUXOD-UHFFFAOYSA-N 0 3 356.491 3.354 20 30 FGEDHN C#CCN(C)CCCNC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000838623300 730131774 /nfs/dbraw/zinc/13/17/74/730131774.db2.gz ZFXYWYWDQDKKHP-GOSISDBHSA-N 0 3 373.547 3.422 20 30 FGEDHN CSc1ccc([C@H](C/N=C\c2c([O-])c(C)ncc2CO)[NH+](C)C)cc1 ZINC000840706964 730164610 /nfs/dbraw/zinc/16/46/10/730164610.db2.gz QFKZULBZKKFGSW-VNAJSCGASA-N 0 3 359.495 3.032 20 30 FGEDHN C[C@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@@H](C)CN1 ZINC000841831566 730279734 /nfs/dbraw/zinc/27/97/34/730279734.db2.gz WLSPXFJSXDZVSZ-KBPBESRZSA-N 0 3 354.479 3.179 20 30 FGEDHN CC(C)O[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000844377262 730710121 /nfs/dbraw/zinc/71/01/21/730710121.db2.gz DNPVOKAPQMGROW-LSDHHAIUSA-N 0 3 357.479 3.362 20 30 FGEDHN C=CCN(Cc1cccs1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846765051 730978145 /nfs/dbraw/zinc/97/81/45/730978145.db2.gz XWFGLKDSXGTIOO-GOSISDBHSA-N 0 3 352.500 3.108 20 30 FGEDHN CO[C@H](C(=O)C(C#N)c1cc(C)nc(C)n1)c1ccccc1Br ZINC000847622136 731071464 /nfs/dbraw/zinc/07/14/64/731071464.db2.gz BRKKKHVEWHPKMR-DYVFJYSZSA-N 0 3 374.238 3.420 20 30 FGEDHN COC(=O)/C=C/c1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000848891393 731218231 /nfs/dbraw/zinc/21/82/31/731218231.db2.gz RAOQZOQNEFQPRC-CMDGGOBGSA-N 0 3 356.447 3.360 20 30 FGEDHN Cc1nc(SCC(C)C)sc1CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000850753384 731384926 /nfs/dbraw/zinc/38/49/26/731384926.db2.gz YOWDAIJFQUZCTC-ZDUSSCGKSA-N 0 3 365.524 3.073 20 30 FGEDHN COCCCOCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000850761231 731385856 /nfs/dbraw/zinc/38/58/56/731385856.db2.gz JBQDTQSLWUZNAA-CQSZACIVSA-N 0 3 373.236 3.084 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000858404611 732211405 /nfs/dbraw/zinc/21/14/05/732211405.db2.gz VZGICYRNIXNNOW-MRXNPFEDSA-N 0 3 352.887 3.389 20 30 FGEDHN CC[C@H](C(=O)C(C#N)C(=O)NC(C)C)c1ccc(Br)cc1 ZINC000860472552 732519087 /nfs/dbraw/zinc/51/90/87/732519087.db2.gz KPFIYWUKIJWEGU-UONOGXRCSA-N 0 3 351.244 3.176 20 30 FGEDHN COC1CC(C(=O)C(C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000860693336 732555493 /nfs/dbraw/zinc/55/54/93/732555493.db2.gz GDSDWZDGIBBTMH-NIZTYWNTSA-N 0 3 369.248 3.304 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccnc(F)c1 ZINC000863275406 732937525 /nfs/dbraw/zinc/93/75/25/732937525.db2.gz UQLLBEXTLKHUNK-UHFFFAOYSA-N 0 3 361.490 3.319 20 30 FGEDHN N#Cc1ccccc1N1CCC(NCc2cccnc2Br)CC1 ZINC000865695849 733253779 /nfs/dbraw/zinc/25/37/79/733253779.db2.gz QSLUBWUVHJFVGF-UHFFFAOYSA-N 0 3 371.282 3.474 20 30 FGEDHN C[C@H]1CCn2cc(C(=O)C(C#N)C(=O)Nc3ccccc3Cl)nc2C1 ZINC000870138007 733816000 /nfs/dbraw/zinc/81/60/00/733816000.db2.gz ABYHWSHTKSYNDF-RYUDHWBXSA-N 0 3 356.813 3.080 20 30 FGEDHN CCn1ncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000870144134 733816277 /nfs/dbraw/zinc/81/62/77/733816277.db2.gz ZNGJLFREOACEPT-NSHDSACASA-N 0 3 365.220 3.479 20 30 FGEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000870174428 733820418 /nfs/dbraw/zinc/82/04/18/733820418.db2.gz SJUABWXMLCEDOT-MFKMUULPSA-N 0 3 363.389 3.179 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1 ZINC000876581851 736116642 /nfs/dbraw/zinc/11/66/42/736116642.db2.gz FJLZBXLBCVQYDD-MRXNPFEDSA-N 0 3 351.878 3.357 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000876725151 736136584 /nfs/dbraw/zinc/13/65/84/736136584.db2.gz NJZGXMLBAJPSKO-KSSFIOAISA-N 0 3 359.857 3.308 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C ZINC000876897994 736160116 /nfs/dbraw/zinc/16/01/16/736160116.db2.gz PIPVZWBDGQTSFR-OAHLLOKOSA-N 0 3 351.878 3.356 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(N=S(C)(C)=O)c2)CC1 ZINC000879870821 737077642 /nfs/dbraw/zinc/07/76/42/737077642.db2.gz QMTRNRZFQQDENL-UHFFFAOYSA-N 0 3 364.515 3.208 20 30 FGEDHN CN(Cc1cccc(Cl)c1Cl)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884053342 737628671 /nfs/dbraw/zinc/62/86/71/737628671.db2.gz SUVDDFZDZBXDCQ-JZLYGMAVSA-N 0 3 352.265 3.091 20 30 FGEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884158104 737639155 /nfs/dbraw/zinc/63/91/55/737639155.db2.gz RMRGNDJFRIONNG-HFWRBRKYSA-N 0 3 359.901 3.430 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC000884164254 737639726 /nfs/dbraw/zinc/63/97/26/737639726.db2.gz BVSKOVAZCBTMBO-YNAXMUEKSA-N 0 3 364.276 3.017 20 30 FGEDHN CC(C)[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(Cl)cc1F ZINC000884320558 737655360 /nfs/dbraw/zinc/65/53/60/737655360.db2.gz SXOMSWPOPDOOQR-AUXVQDGZSA-N 0 3 363.864 3.432 20 30 FGEDHN C#CCN(C(=O)c1cc(Br)c(CC)s1)C1CCN(C)CC1 ZINC000886575895 739271921 /nfs/dbraw/zinc/27/19/21/739271921.db2.gz OJZRQGWCLDYVIH-UHFFFAOYSA-N 0 3 369.328 3.243 20 30 FGEDHN C#CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C1CCN(C)CC1 ZINC000886582458 739272458 /nfs/dbraw/zinc/27/24/58/739272458.db2.gz VOVQERXONHVCFN-QGZVFWFLSA-N 0 3 352.400 3.279 20 30 FGEDHN CN1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 ZINC000888419009 739520083 /nfs/dbraw/zinc/52/00/83/739520083.db2.gz GJVBHRPDWNGFLE-YPMHNXCESA-N 0 3 361.858 3.235 20 30 FGEDHN CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000891544157 739913552 /nfs/dbraw/zinc/91/35/52/739913552.db2.gz WSQPJALWSAKNOE-KRWDZBQOSA-N 0 3 354.479 3.036 20 30 FGEDHN C#CCN(C(=S)Nc1cc(OC)ccc1Cl)C1CCN(C)CC1 ZINC000899614190 742988554 /nfs/dbraw/zinc/98/85/54/742988554.db2.gz YVSYDUATFIXGAT-UHFFFAOYSA-N 0 3 351.903 3.075 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC000941094172 762175935 /nfs/dbraw/zinc/17/59/35/762175935.db2.gz ZMTNIOXMYBHHRZ-ZNMIVQPWSA-N 0 3 362.436 3.137 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC000912068222 757261528 /nfs/dbraw/zinc/26/15/28/757261528.db2.gz QBEXKUZGITUHAF-LBPRGKRZSA-N 0 3 350.875 3.220 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000916918616 758154046 /nfs/dbraw/zinc/15/40/46/758154046.db2.gz UONOELOLYDMIOX-ZDUSSCGKSA-N 0 3 359.838 3.017 20 30 FGEDHN C#CCN(C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(C)CC1 ZINC000921374894 758700687 /nfs/dbraw/zinc/70/06/87/758700687.db2.gz BOUIAKRKYAZFOJ-GJZGRUSLSA-N 0 3 359.436 3.094 20 30 FGEDHN N#Cc1cc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000921590657 758751530 /nfs/dbraw/zinc/75/15/30/758751530.db2.gz QVJKLKDJUABROI-ZDUSSCGKSA-N 0 3 356.369 3.168 20 30 FGEDHN CO[C@H](CCNCc1cc(C#N)ccc1Br)C(F)(F)F ZINC000922041901 758840753 /nfs/dbraw/zinc/84/07/53/758840753.db2.gz ORBZGYFRFGORIU-GFCCVEGCSA-N 0 3 351.166 3.378 20 30 FGEDHN CC(C)(C)OC(=O)[C@H](CNCc1csc(C#N)c1)C1CCOCC1 ZINC000922298034 758887555 /nfs/dbraw/zinc/88/75/55/758887555.db2.gz FTPVJHAKPHSUPC-MRXNPFEDSA-N 0 3 350.484 3.094 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000968717481 762842154 /nfs/dbraw/zinc/84/21/54/762842154.db2.gz WSOFMVIFGBCCSY-RKVPGOIHSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCCN1CCC(F)(F)F ZINC000968861158 762842920 /nfs/dbraw/zinc/84/29/20/762842920.db2.gz HPITWPLJGXRAET-XHSDSOJGSA-N 0 3 362.436 3.281 20 30 FGEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001034693123 766245115 /nfs/dbraw/zinc/24/51/15/766245115.db2.gz ABHCTGXLIXJGPH-VGWMRTNUSA-N 0 3 355.320 3.348 20 30 FGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC001039132497 766292230 /nfs/dbraw/zinc/29/22/30/766292230.db2.gz MUBVOCUTXRKHNB-QYZOEREBSA-N 0 3 368.949 3.361 20 30 FGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C2 ZINC001054184606 766999701 /nfs/dbraw/zinc/99/97/01/766999701.db2.gz ICTJOFZCQCHYDP-SPYBWZPUSA-N 0 3 362.926 3.453 20 30 FGEDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248770129 257370203 /nfs/dbraw/zinc/37/02/03/257370203.db2.gz SLRKCACLLFFTTH-UFYCRDLUSA-N 0 3 355.482 3.237 20 30 FGEDHN COCCCN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCN(C)CC1 ZINC000570866731 505598994 /nfs/dbraw/zinc/59/89/94/505598994.db2.gz FYTVZFUTVZNQRY-LJQANCHMSA-N 0 3 357.498 3.033 20 30 FGEDHN COc1ccccc1-c1ccc([C@@H](C)NC[C@H](O)CN(C)CCC#N)cc1 ZINC000579702590 505604760 /nfs/dbraw/zinc/60/47/60/505604760.db2.gz YELLOHHSAFRGLV-XLIONFOSSA-N 0 3 367.493 3.219 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H](c1cccs1)N1CCOCC1)CC2 ZINC000573827834 505630447 /nfs/dbraw/zinc/63/04/47/505630447.db2.gz ULWQJKIGGSPBFU-RBUKOAKNSA-N 0 3 353.491 3.270 20 30 FGEDHN N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000579865131 505634721 /nfs/dbraw/zinc/63/47/21/505634721.db2.gz JUTCJTXHGVAYTI-IBGZPJMESA-N 0 3 363.436 3.499 20 30 FGEDHN C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000568331183 505667900 /nfs/dbraw/zinc/66/79/00/505667900.db2.gz OPJSDYOPTQRAFT-SFHVURJKSA-N 0 3 362.481 3.170 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3CN3CCCCC3)o2)cc1 ZINC000075711953 493771907 /nfs/dbraw/zinc/77/19/07/493771907.db2.gz SEQYLJAFZUBWFW-GOSISDBHSA-N 0 3 351.454 3.059 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000075862111 493786980 /nfs/dbraw/zinc/78/69/80/493786980.db2.gz OAAOHUYFMBEJBS-INIZCTEOSA-N 0 3 353.388 3.181 20 30 FGEDHN CN(C)[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000068487255 493828663 /nfs/dbraw/zinc/82/86/63/493828663.db2.gz OMYQDSOYJNYWTR-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)CC1 ZINC000076141664 493830943 /nfs/dbraw/zinc/83/09/43/493830943.db2.gz CRVCQOPVPNFZHO-UHFFFAOYSA-N 0 3 352.438 3.144 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081124929 493836323 /nfs/dbraw/zinc/83/63/23/493836323.db2.gz XHLNQEGOMFSCBG-XLIONFOSSA-N 0 3 363.461 3.058 20 30 FGEDHN CCN(CCC(=O)Nc1ccccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000058490594 493859202 /nfs/dbraw/zinc/85/92/02/493859202.db2.gz PORDWYPGKNOMRL-KRWDZBQOSA-N 0 3 365.433 3.049 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000076343007 493871521 /nfs/dbraw/zinc/87/15/21/493871521.db2.gz ZTXVPKLUUHJGAW-QFIPXVFZSA-N 0 3 369.509 3.421 20 30 FGEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076486766 493903248 /nfs/dbraw/zinc/90/32/48/493903248.db2.gz OGTNYVJCJCAJGW-QGZVFWFLSA-N 0 3 367.449 3.287 20 30 FGEDHN COc1cccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC ZINC000068991051 493903377 /nfs/dbraw/zinc/90/33/77/493903377.db2.gz LCKGAJYYERFFRD-KRWDZBQOSA-N 0 3 369.440 3.473 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000069334109 493958324 /nfs/dbraw/zinc/95/83/24/493958324.db2.gz NJRIYSTXDRXSHR-HUUCEWRRSA-N 0 3 374.460 3.050 20 30 FGEDHN N#Cc1cccc(CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000063464374 494057458 /nfs/dbraw/zinc/05/74/58/494057458.db2.gz HYJIVPRRCPLJIC-OAQYLSRUSA-N 0 3 362.477 3.270 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381647 494070860 /nfs/dbraw/zinc/07/08/60/494070860.db2.gz GKUBQIRLLMSNTG-GOSISDBHSA-N 0 3 363.417 3.453 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NCCN2CCCC[C@@H]2C)c1C#N ZINC000063812931 494090352 /nfs/dbraw/zinc/09/03/52/494090352.db2.gz QPZAFOKEAGXNAE-ZDUSSCGKSA-N 0 3 358.511 3.157 20 30 FGEDHN C=CCOc1ccccc1CNC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000078228046 494257218 /nfs/dbraw/zinc/25/72/18/494257218.db2.gz QLPRGLDAERKXAH-LJQANCHMSA-N 0 3 356.466 3.316 20 30 FGEDHN CC1CCC(N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000065949663 494261559 /nfs/dbraw/zinc/26/15/59/494261559.db2.gz MZTKGSMCQIVIGX-UHFFFAOYSA-N 0 3 351.454 3.193 20 30 FGEDHN C=CCN(CC(F)(F)F)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000078599839 494327216 /nfs/dbraw/zinc/32/72/16/494327216.db2.gz RJVOEOXTBXPHDN-UHFFFAOYSA-N 0 3 369.431 3.166 20 30 FGEDHN C[C@H]1CCC[C@H](OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000078672885 494340801 /nfs/dbraw/zinc/34/08/01/494340801.db2.gz OLVADBXVPXTOBQ-PXNSSMCTSA-N 0 3 357.498 3.044 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)C2CCC(CO)CC2)c1C ZINC000089924116 494403350 /nfs/dbraw/zinc/40/33/50/494403350.db2.gz GOEOQXPLKUTPGH-UHFFFAOYSA-N 0 3 357.498 3.033 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(CC(C)C)CC2)c1 ZINC000073644806 494406788 /nfs/dbraw/zinc/40/67/88/494406788.db2.gz KUYQHDRSPQTSAK-HXUWFJFHSA-N 0 3 370.541 3.212 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045432345 494428567 /nfs/dbraw/zinc/42/85/67/494428567.db2.gz VJMHBZHDVGWJMH-OAHLLOKOSA-N 0 3 367.415 3.231 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(NC(=O)CC3CCCC3)CC2)cc1 ZINC000066876416 494431219 /nfs/dbraw/zinc/43/12/19/494431219.db2.gz BVJHMPATYDUZLL-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000079304141 494433310 /nfs/dbraw/zinc/43/33/10/494433310.db2.gz DPJGHKWBXZKOKH-JKSUJKDBSA-N 0 3 372.513 3.434 20 30 FGEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000090106891 494442759 /nfs/dbraw/zinc/44/27/59/494442759.db2.gz WDMSKBJKDBEKAP-HNNXBMFYSA-N 0 3 351.406 3.244 20 30 FGEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000066946665 494444581 /nfs/dbraw/zinc/44/45/81/494444581.db2.gz AIPRJECFJRGIEU-QGZVFWFLSA-N 0 3 367.449 3.287 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)c2cccc(SCC#N)c2)cc1 ZINC000079534075 494474278 /nfs/dbraw/zinc/47/42/78/494474278.db2.gz GYLQIDRUXHGRBQ-UHFFFAOYSA-N 0 3 369.490 3.173 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000568570728 505724397 /nfs/dbraw/zinc/72/43/97/505724397.db2.gz VIRRUDMRBWQMBI-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000577430086 505725215 /nfs/dbraw/zinc/72/52/15/505725215.db2.gz ZQLUOWILAMLXTK-KBPBESRZSA-N 0 3 360.401 3.022 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000067480293 494549869 /nfs/dbraw/zinc/54/98/69/494549869.db2.gz DCHMPUILMFHTMZ-OAQYLSRUSA-N 0 3 367.493 3.213 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000121098783 494595051 /nfs/dbraw/zinc/59/50/51/494595051.db2.gz XHIRUAMOMWKVHQ-UYAOXDASSA-N 0 3 355.482 3.048 20 30 FGEDHN C#CCOc1ccccc1CNC1CCN(C(=O)c2ccccc2F)CC1 ZINC000067667979 494605236 /nfs/dbraw/zinc/60/52/36/494605236.db2.gz DEIHLLYYWPUZIU-UHFFFAOYSA-N 0 3 366.436 3.232 20 30 FGEDHN N#Cc1ccc(OCCN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000024245168 494616017 /nfs/dbraw/zinc/61/60/17/494616017.db2.gz ZAJJHIORKVXILA-UHFFFAOYSA-N 0 3 353.441 3.284 20 30 FGEDHN C[C@H](Oc1cccc(F)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011836 494617510 /nfs/dbraw/zinc/61/75/10/494617510.db2.gz PFWNOJNREDGDLQ-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN Cc1nccn1-c1ccc(CNCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000121161937 494624250 /nfs/dbraw/zinc/62/42/50/494624250.db2.gz TVTXOFJXXXPPCC-UHFFFAOYSA-N 0 3 360.465 3.215 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000108466466 494714644 /nfs/dbraw/zinc/71/46/44/494714644.db2.gz ZSBDEXNBHHTUOW-CTNGQTDRSA-N 0 3 365.477 3.381 20 30 FGEDHN CCCCNC(=O)[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092710246 494723494 /nfs/dbraw/zinc/72/34/94/494723494.db2.gz QFOCKUKOOOJZEX-IBGZPJMESA-N 0 3 357.498 3.497 20 30 FGEDHN CCN1CCC(N(C(=O)CSCc2ccc(C#N)cc2)C2CC2)CC1 ZINC000057372234 494724151 /nfs/dbraw/zinc/72/41/51/494724151.db2.gz FAZHPNYPKBVKRE-UHFFFAOYSA-N 0 3 357.523 3.267 20 30 FGEDHN C[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)N1CCCCCC1 ZINC000092035901 494764336 /nfs/dbraw/zinc/76/43/36/494764336.db2.gz ODLYWFHQBNKPBJ-IPJUCJBFSA-N 0 3 370.497 3.024 20 30 FGEDHN C=CCC[C@H](O)C[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000126609981 494802329 /nfs/dbraw/zinc/80/23/29/494802329.db2.gz ZBYLIKNPAHLVKQ-IBGZPJMESA-N 0 3 374.506 3.246 20 30 FGEDHN C=CCC[C@H](O)C[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000126609981 494802333 /nfs/dbraw/zinc/80/23/33/494802333.db2.gz ZBYLIKNPAHLVKQ-IBGZPJMESA-N 0 3 374.506 3.246 20 30 FGEDHN COc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000026225024 494810431 /nfs/dbraw/zinc/81/04/31/494810431.db2.gz ZAXTTZLUEHZXRP-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000109022591 494822788 /nfs/dbraw/zinc/82/27/88/494822788.db2.gz GNJMSNFKLKDEFL-MRXNPFEDSA-N 0 3 360.527 3.047 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000109028358 494823612 /nfs/dbraw/zinc/82/36/12/494823612.db2.gz LJSOQSPPPCUHDV-CQSZACIVSA-N 0 3 372.498 3.483 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)c(OC)c1 ZINC000126963799 494869614 /nfs/dbraw/zinc/86/96/14/494869614.db2.gz HBCIEEWOPBDYPA-PMACEKPBSA-N 0 3 352.434 3.446 20 30 FGEDHN CCc1nnc(NCc2ccc(OCCN(C)C)cc2)c(C#N)c1CC ZINC000122235627 494944186 /nfs/dbraw/zinc/94/41/86/494944186.db2.gz ONKDFLRJOCAZMK-UHFFFAOYSA-N 0 3 353.470 3.026 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)ccc(Br)c2C)CC1 ZINC000574344036 505751248 /nfs/dbraw/zinc/75/12/48/505751248.db2.gz YHEZVCSDSVRLBQ-UHFFFAOYSA-N 0 3 351.288 3.446 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](Cc1ccccc1)c1sccc1C ZINC000122757724 495026659 /nfs/dbraw/zinc/02/66/59/495026659.db2.gz RRDJJQWMPZQGHE-NVXWUHKLSA-N 0 3 371.506 3.330 20 30 FGEDHN C[C@@H](CCNCc1cccc(OCc2cccc(C#N)c2)c1)[S@](C)=O ZINC000133707433 495049663 /nfs/dbraw/zinc/04/96/63/495049663.db2.gz QMSWTHIWDQEGBV-IVCQMTBJSA-N 0 3 356.491 3.384 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000128363712 495085985 /nfs/dbraw/zinc/08/59/85/495085985.db2.gz AJLLERHZMRJXSZ-UTKZUKDTSA-N 0 3 362.477 3.220 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000101633807 495087427 /nfs/dbraw/zinc/08/74/27/495087427.db2.gz GMCLDKUUEIXDJO-UHFFFAOYSA-N 0 3 361.489 3.053 20 30 FGEDHN COc1cc(CN(CCC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1O ZINC000102176153 495123840 /nfs/dbraw/zinc/12/38/40/495123840.db2.gz DMECETFXEWQIHP-UHFFFAOYSA-N 0 3 365.433 3.266 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000111885948 495125487 /nfs/dbraw/zinc/12/54/87/495125487.db2.gz KUVTZZAQEZNVPX-LJQANCHMSA-N 0 3 357.498 3.411 20 30 FGEDHN N#Cc1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)ccc1F ZINC000102955474 495175819 /nfs/dbraw/zinc/17/58/19/495175819.db2.gz URPFOROENNYLJN-UHFFFAOYSA-N 0 3 352.413 3.483 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@H](CCCN4C4CC4)C3)o2)cc1 ZINC000134936571 495226921 /nfs/dbraw/zinc/22/69/21/495226921.db2.gz KHKNITCNWFXFPY-IEBWSBKVSA-N 0 3 363.465 3.057 20 30 FGEDHN C[C@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000112791686 495241817 /nfs/dbraw/zinc/24/18/17/495241817.db2.gz AVXYHMPVWMIFCS-FXAWDEMLSA-N 0 3 357.498 3.044 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000124241958 495256286 /nfs/dbraw/zinc/25/62/86/495256286.db2.gz XLKQUAUVIOGCIP-UHFFFAOYSA-N 0 3 372.856 3.474 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCC(c2ccnn2CCO)CC1 ZINC000135168074 495258419 /nfs/dbraw/zinc/25/84/19/495258419.db2.gz FZVKZHKYHICNTF-UHFFFAOYSA-N 0 3 352.482 3.056 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000124592137 495313046 /nfs/dbraw/zinc/31/30/46/495313046.db2.gz CJSMXOUAESDGKE-LJQANCHMSA-N 0 3 354.450 3.293 20 30 FGEDHN Cc1ccc(Oc2ccccc2CNC[C@H](O)CN(C)CCC#N)cc1 ZINC000568750614 505769785 /nfs/dbraw/zinc/76/97/85/505769785.db2.gz AVYDZMGUKWMFBA-IBGZPJMESA-N 0 3 353.466 3.083 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCc2c1cnn2C ZINC000135635783 495321642 /nfs/dbraw/zinc/32/16/42/495321642.db2.gz WONDJITUJQRPBR-QGZVFWFLSA-N 0 3 371.872 3.283 20 30 FGEDHN COc1cc(CN2CCC[C@@](C)(O)C2)ccc1OCc1cccc(C#N)c1 ZINC000125104161 495391091 /nfs/dbraw/zinc/39/10/91/495391091.db2.gz ZEYCKVHBTRMQCG-JOCHJYFZSA-N 0 3 366.461 3.493 20 30 FGEDHN C#Cc1cccc(NC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)c1 ZINC000120575042 495408835 /nfs/dbraw/zinc/40/88/35/495408835.db2.gz ZTQCOFPSBYWNHS-UHFFFAOYSA-N 0 3 361.445 3.231 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120589445 495411837 /nfs/dbraw/zinc/41/18/37/495411837.db2.gz RZFVXPBBXFTUID-MRXNPFEDSA-N 0 3 352.482 3.331 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(CCC(C)(C)C)CC2)c(C#N)c1C ZINC000125297894 495421724 /nfs/dbraw/zinc/42/17/24/495421724.db2.gz KNRHOMOTDQXWPM-OAHLLOKOSA-N 0 3 360.502 3.149 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](Nc2ccccc2)C(C)C)CC1 ZINC000106275116 495441663 /nfs/dbraw/zinc/44/16/63/495441663.db2.gz LUYZWBBFHNWILG-FQEVSTJZSA-N 0 3 358.530 3.463 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000106325228 495445124 /nfs/dbraw/zinc/44/51/24/495445124.db2.gz ZBDAPPUJIVRYRF-UHFFFAOYSA-N 0 3 364.421 3.166 20 30 FGEDHN COc1cc2c(cc1OC)CCN(CCOc1ccccc1C#N)CC2 ZINC000138797544 495467918 /nfs/dbraw/zinc/46/79/18/495467918.db2.gz VMXJPIWRNIIJKR-UHFFFAOYSA-N 0 3 352.434 3.055 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(CCOC)CC1 ZINC000140227525 495490918 /nfs/dbraw/zinc/49/09/18/495490918.db2.gz WEWIFDTXSCGUBA-UHFFFAOYSA-N 0 3 371.934 3.210 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000115439620 495503727 /nfs/dbraw/zinc/50/37/27/495503727.db2.gz SCRVLBWUFHGRCM-QGZVFWFLSA-N 0 3 367.449 3.144 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(C2CCCCC2)CC1 ZINC000141672938 495508845 /nfs/dbraw/zinc/50/88/45/495508845.db2.gz ACYWAOUBCMDVGZ-LVIWNVNYSA-N 0 3 374.573 3.256 20 30 FGEDHN CSCC[N-]C(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccccc1 ZINC000131246997 495511544 /nfs/dbraw/zinc/51/15/44/495511544.db2.gz GHVOFANIYAQQBI-UHFFFAOYSA-O 0 3 359.540 3.482 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000568850212 505792621 /nfs/dbraw/zinc/79/26/21/505792621.db2.gz JMIOZSSZHAWQKB-HAFPXEGZSA-N 0 3 359.473 3.441 20 30 FGEDHN C=C(C)COc1cc(CNC2(CO)Cc3ccccc3C2)ccc1OC ZINC000574527401 505793258 /nfs/dbraw/zinc/79/32/58/505793258.db2.gz CEQZZZPUDDVAOG-UHFFFAOYSA-N 0 3 353.462 3.270 20 30 FGEDHN Cc1ccc(NC(=O)NCc2cccc(C#N)c2)c(OCCN(C)C)c1 ZINC000154580172 495660050 /nfs/dbraw/zinc/66/00/50/495660050.db2.gz ILJGDBUBOPYZHZ-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN C=CCCCCCN(C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000150874602 495665171 /nfs/dbraw/zinc/66/51/71/495665171.db2.gz XQVHGIPIJBESHP-UHFFFAOYSA-N 0 3 372.513 3.041 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000185664299 495668471 /nfs/dbraw/zinc/66/84/71/495668471.db2.gz VDNBFVPXQWSOBA-APWZRJJASA-N 0 3 357.498 3.394 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1F ZINC000170998359 495682225 /nfs/dbraw/zinc/68/22/25/495682225.db2.gz IACJMFXGDFEEOV-INIZCTEOSA-N 0 3 353.441 3.391 20 30 FGEDHN C=CCOc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1OC ZINC000179687544 495691982 /nfs/dbraw/zinc/69/19/82/495691982.db2.gz NSPXVQQPQDMCHF-UHFFFAOYSA-N 0 3 372.509 3.485 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)N(C)Cc1ccccc1 ZINC000185811366 495734175 /nfs/dbraw/zinc/73/41/75/495734175.db2.gz FQPLNYMUWVONQS-UHFFFAOYSA-N 0 3 350.466 3.174 20 30 FGEDHN COCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000154875913 495757316 /nfs/dbraw/zinc/75/73/16/495757316.db2.gz AKUFZYQLEYMFKI-UHFFFAOYSA-N 0 3 372.444 3.058 20 30 FGEDHN COC(=O)[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000176714522 495760382 /nfs/dbraw/zinc/76/03/82/495760382.db2.gz STZUXUPTNAXQNT-SFTDATJTSA-N 0 3 363.461 3.199 20 30 FGEDHN C[C@H](CO[C@@H]1CCOC1)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000151259217 495786951 /nfs/dbraw/zinc/78/69/51/495786951.db2.gz WIDNNUBRFRBAHJ-VGOFRKELSA-N 0 3 366.461 3.421 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1-n1cccn1 ZINC000183143450 495853178 /nfs/dbraw/zinc/85/31/78/495853178.db2.gz IQGHTCMNBAFNIL-CQSZACIVSA-N 0 3 365.462 3.485 20 30 FGEDHN CCN(CCc1nccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180221973 495914183 /nfs/dbraw/zinc/91/41/83/495914183.db2.gz RPOBICLURYAQDW-UHFFFAOYSA-N 0 3 351.479 3.480 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCCCOC)c2)CC1 ZINC000177141789 495945048 /nfs/dbraw/zinc/94/50/48/495945048.db2.gz MXYZPXMNTFYYJA-UHFFFAOYSA-N 0 3 361.486 3.264 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN(CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000177142182 495945255 /nfs/dbraw/zinc/94/52/55/495945255.db2.gz IGSZIRIPFXQBDT-NRFANRHFSA-N 0 3 363.461 3.220 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000171604426 495945972 /nfs/dbraw/zinc/94/59/72/495945972.db2.gz QUYVLBLUNFDIRE-UXHICEINSA-N 0 3 357.498 3.246 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160391135 495951870 /nfs/dbraw/zinc/95/18/70/495951870.db2.gz NCXBQXQLIPIWQS-IBGZPJMESA-N 0 3 359.470 3.016 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1 ZINC000186395173 495981349 /nfs/dbraw/zinc/98/13/49/495981349.db2.gz FDECIQIHQRYARQ-UHFFFAOYSA-N 0 3 359.376 3.120 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2c(OC)ccc3ccccc32)CC1 ZINC000171709096 496000156 /nfs/dbraw/zinc/00/01/56/496000156.db2.gz MGIXEAYGYAISLQ-UHFFFAOYSA-N 0 3 353.466 3.298 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000171716175 496003285 /nfs/dbraw/zinc/00/32/85/496003285.db2.gz GWHWPGZBRDJVRF-UHFFFAOYSA-N 0 3 359.857 3.304 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000171717510 496004408 /nfs/dbraw/zinc/00/44/08/496004408.db2.gz BQPNSGRFOSTRJC-IRXDYDNUSA-N 0 3 363.299 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000171736610 496013591 /nfs/dbraw/zinc/01/35/91/496013591.db2.gz PSKOTEOYONTAJY-UHFFFAOYSA-N 0 3 356.445 3.025 20 30 FGEDHN C[C@]1(CNc2nccc(C#N)c2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000160799974 496044533 /nfs/dbraw/zinc/04/45/33/496044533.db2.gz XHBXHAIBUGNSAR-LJQANCHMSA-N 0 3 351.410 3.328 20 30 FGEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(COc3ccccc3C#N)o1)C2 ZINC000174675492 496055970 /nfs/dbraw/zinc/05/59/70/496055970.db2.gz UTLXVVOKXUVUJC-DLBZAZTESA-N 0 3 365.433 3.039 20 30 FGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000183652332 496063211 /nfs/dbraw/zinc/06/32/11/496063211.db2.gz ZIVBPAWSQHDYKS-HXUWFJFHSA-N 0 3 374.481 3.328 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCC[C@H]2CN2CCCC2)c2ccccc21 ZINC000174848212 496131993 /nfs/dbraw/zinc/13/19/93/496131993.db2.gz MCXUNJZXKINLBO-SFHVURJKSA-N 0 3 364.493 3.298 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000186754388 496136253 /nfs/dbraw/zinc/13/62/53/496136253.db2.gz LNRYLYKIKAZUSS-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN Cc1occc1C(=O)NC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156047065 496142912 /nfs/dbraw/zinc/14/29/12/496142912.db2.gz PVSPNLFOFLGFFF-UHFFFAOYSA-N 0 3 367.449 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 ZINC000174897206 496153854 /nfs/dbraw/zinc/15/38/54/496153854.db2.gz PIDGANHNMMIZFR-UHFFFAOYSA-N 0 3 373.888 3.357 20 30 FGEDHN CN1CCN(CCCNCc2cc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000177684506 496159043 /nfs/dbraw/zinc/15/90/43/496159043.db2.gz YSBCSQCDVCZLKE-FQEVSTJZSA-N 0 3 354.523 3.088 20 30 FGEDHN CN(CC(=O)Nc1sccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174950453 496178548 /nfs/dbraw/zinc/17/85/48/496178548.db2.gz BDTHSDVABARZMK-GOSISDBHSA-N 0 3 368.506 3.155 20 30 FGEDHN Cc1cc2cc([C@@H](C)NCCNC(=O)C3N=CC=CC3=O)oc2cc1C ZINC000180877642 496182473 /nfs/dbraw/zinc/18/24/73/496182473.db2.gz OISPRMGNDWFCOQ-BVGIJJTOSA-N 0 3 353.422 3.227 20 30 FGEDHN N#C[C@@]1(NC(=O)c2cccc(CN3CCCC3)c2)CCc2ccccc2C1 ZINC000186904800 496203943 /nfs/dbraw/zinc/20/39/43/496203943.db2.gz VLZMKFCHWYYLPJ-HSZRJFAPSA-N 0 3 359.473 3.463 20 30 FGEDHN CN(C)C1(CN(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CCC1 ZINC000186986618 496240636 /nfs/dbraw/zinc/24/06/36/496240636.db2.gz KUMATRAIEZTSKP-UHFFFAOYSA-N 0 3 362.905 3.003 20 30 FGEDHN C=C(C)CN(C)Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000181048609 496252410 /nfs/dbraw/zinc/25/24/10/496252410.db2.gz BGLRGWBOBDUZMQ-UHFFFAOYSA-N 0 3 360.498 3.485 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000156470841 496254910 /nfs/dbraw/zinc/25/49/10/496254910.db2.gz PJERBUIWDSBFQF-SFHVURJKSA-N 0 3 361.449 3.249 20 30 FGEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000181294754 496343520 /nfs/dbraw/zinc/34/35/20/496343520.db2.gz YDVKUYDOUWVHEU-OAHLLOKOSA-N 0 3 351.406 3.244 20 30 FGEDHN Cc1cc(C(F)(F)F)c(C#N)c(SCCCN2CCN(C)CC2)n1 ZINC000181311834 496349756 /nfs/dbraw/zinc/34/97/56/496349756.db2.gz HYGIPWAMOQAUQK-UHFFFAOYSA-N 0 3 358.433 3.010 20 30 FGEDHN Cc1cc(C(=O)C(C(=S)[N-]C(C)C)[n+]2ccc(N(C)C)cc2)ccc1F ZINC000175379617 496365437 /nfs/dbraw/zinc/36/54/37/496365437.db2.gz MHTXXXXZVOWSQZ-UHFFFAOYSA-O 0 3 374.505 3.424 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000181403858 496381182 /nfs/dbraw/zinc/38/11/82/496381182.db2.gz GLKZPAPIJNSIFP-RCCFBDPRSA-N 0 3 351.535 3.262 20 30 FGEDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000178322233 496411625 /nfs/dbraw/zinc/41/16/25/496411625.db2.gz KHHBTNHREUHQDH-KXBFYZLASA-N 0 3 373.497 3.217 20 30 FGEDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181573663 496452441 /nfs/dbraw/zinc/45/24/41/496452441.db2.gz VGOTZEKVXBNIGP-INIZCTEOSA-N 0 3 371.506 3.438 20 30 FGEDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181573683 496452823 /nfs/dbraw/zinc/45/28/23/496452823.db2.gz VGOTZEKVXBNIGP-MRXNPFEDSA-N 0 3 371.506 3.438 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184765828 496522418 /nfs/dbraw/zinc/52/24/18/496522418.db2.gz DLNQLUGQEQLBDE-KRWDZBQOSA-N 0 3 359.470 3.320 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000178669595 496535449 /nfs/dbraw/zinc/53/54/49/496535449.db2.gz QGMNYNHCFAXKOG-MOPGFXCFSA-N 0 3 363.546 3.406 20 30 FGEDHN C[C@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000181788307 496545112 /nfs/dbraw/zinc/54/51/12/496545112.db2.gz MJJZZRDGPQRPLQ-SJCJKPOMSA-N 0 3 358.825 3.367 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000187766339 496563257 /nfs/dbraw/zinc/56/32/57/496563257.db2.gz XVJFNJOSQFUJMD-GHTZIAJQSA-N 0 3 359.514 3.010 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000173195941 496587835 /nfs/dbraw/zinc/58/78/35/496587835.db2.gz KPMAFCVEVGQXIT-UHFFFAOYSA-N 0 3 373.497 3.092 20 30 FGEDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000173208567 496593887 /nfs/dbraw/zinc/59/38/87/496593887.db2.gz QUGLRAQKNCAFBD-DLBZAZTESA-N 0 3 365.481 3.254 20 30 FGEDHN N#Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000569104505 505854572 /nfs/dbraw/zinc/85/45/72/505854572.db2.gz JYCPHIIWTHBFGJ-SFHVURJKSA-N 0 3 374.366 3.346 20 30 FGEDHN COc1cc(C#N)ccc1CNc1ccccc1CN1CCC(CO)CC1 ZINC000158039738 496614167 /nfs/dbraw/zinc/61/41/67/496614167.db2.gz BLBNOKHLOJPSAZ-UHFFFAOYSA-N 0 3 365.477 3.383 20 30 FGEDHN CCc1c2ccccc2oc1[C@@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000181963484 496615908 /nfs/dbraw/zinc/61/59/08/496615908.db2.gz BHMUMPHSKZZAJG-MYXCPXAOSA-N 0 3 353.422 3.172 20 30 FGEDHN CCOc1cccc2cc([C@@H](C)NCCNC(=O)C3N=CC=CC3=O)oc21 ZINC000181963095 496615926 /nfs/dbraw/zinc/61/59/26/496615926.db2.gz SMXFCPPGVNTKJR-MYXCPXAOSA-N 0 3 369.421 3.009 20 30 FGEDHN N#Cc1ccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000194882414 496746902 /nfs/dbraw/zinc/74/69/02/496746902.db2.gz NINXUUANRLXVQC-UHFFFAOYSA-N 0 3 353.491 3.191 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000188368224 496765949 /nfs/dbraw/zinc/76/59/49/496765949.db2.gz LRPMQCVUDBVOFL-QFIPXVFZSA-N 0 3 371.525 3.386 20 30 FGEDHN COc1ccc(COC[C@@H](O)CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957068 496773885 /nfs/dbraw/zinc/77/38/85/496773885.db2.gz LVOKJCKCPHUXIT-NRFANRHFSA-N 0 3 366.461 3.109 20 30 FGEDHN Cc1cc(Br)cn2cc(CCNCc3ccc(C#N)o3)nc12 ZINC000273363624 496783870 /nfs/dbraw/zinc/78/38/70/496783870.db2.gz DAAUXUGMTGXVLA-UHFFFAOYSA-N 0 3 359.227 3.202 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1cccs1 ZINC000247193508 496803556 /nfs/dbraw/zinc/80/35/56/496803556.db2.gz BOHBXEFSSIFLSP-JXFKEZNVSA-N 0 3 369.490 3.198 20 30 FGEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000247201039 496803942 /nfs/dbraw/zinc/80/39/42/496803942.db2.gz BWEPGUFCDNZEPA-CRAIPNDOSA-N 0 3 367.449 3.142 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCCC#N ZINC000264076347 496806510 /nfs/dbraw/zinc/80/65/10/496806510.db2.gz NQPZWWSJDUEJDC-UHFFFAOYSA-N 0 3 370.419 3.472 20 30 FGEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273440766 496807355 /nfs/dbraw/zinc/80/73/55/496807355.db2.gz NEBNCHCEVXNVQC-RTBURBONSA-N 0 3 373.472 3.320 20 30 FGEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000273476946 496817711 /nfs/dbraw/zinc/81/77/11/496817711.db2.gz KMAXJMPUWTXAMB-QGZVFWFLSA-N 0 3 363.506 3.450 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000264355254 496879661 /nfs/dbraw/zinc/87/96/61/496879661.db2.gz GPNQXPXGZYNSQI-UHFFFAOYSA-N 0 3 357.483 3.367 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)Nc2ncccc2OCCCC#N)c1 ZINC000188724878 496888873 /nfs/dbraw/zinc/88/88/73/496888873.db2.gz RNXXTFOBSUUIKQ-UHFFFAOYSA-N 0 3 367.453 3.147 20 30 FGEDHN C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCC[C@H](C)C1 ZINC000188751322 496896641 /nfs/dbraw/zinc/89/66/41/496896641.db2.gz GZMWECVOBMLFAQ-HOTGVXAUSA-N 0 3 359.474 3.006 20 30 FGEDHN COCCN(C)CCCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000264533154 496921723 /nfs/dbraw/zinc/92/17/23/496921723.db2.gz KSNPWNODNKJVOY-OAHLLOKOSA-N 0 3 364.515 3.028 20 30 FGEDHN CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1C#N ZINC000269819845 497007311 /nfs/dbraw/zinc/00/73/11/497007311.db2.gz IJVBRPOBVCTFSW-XJKSGUPXSA-N 0 3 373.457 3.073 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192143418 497010790 /nfs/dbraw/zinc/01/07/90/497010790.db2.gz KMTNIDQBUPYWSM-UYAOXDASSA-N 0 3 371.387 3.285 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H](CO)C[C@H](O)c2ccccc2)ccc1OC ZINC000269898785 497020310 /nfs/dbraw/zinc/02/03/10/497020310.db2.gz FASNRVONWIQAHR-UXHICEINSA-N 0 3 371.477 3.224 20 30 FGEDHN N#Cc1cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000192226789 497041003 /nfs/dbraw/zinc/04/10/03/497041003.db2.gz NTSHFUNYGBRMQC-KRWDZBQOSA-N 0 3 356.857 3.310 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000270012686 497041191 /nfs/dbraw/zinc/04/11/91/497041191.db2.gz MLBTYDZSCIFLEV-WQANXHIZSA-N 0 3 371.456 3.008 20 30 FGEDHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000189224503 497050290 /nfs/dbraw/zinc/05/02/90/497050290.db2.gz RHBBDGYGTCBBBE-ABAIWWIYSA-N 0 3 361.511 3.371 20 30 FGEDHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000189224425 497050988 /nfs/dbraw/zinc/05/09/88/497050988.db2.gz RHBBDGYGTCBBBE-XHDPSFHLSA-N 0 3 361.511 3.371 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248752669 497099349 /nfs/dbraw/zinc/09/93/49/497099349.db2.gz HURKGZSUGMAUOH-IRLDBZIGSA-N 0 3 350.462 3.445 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248785770 497103244 /nfs/dbraw/zinc/10/32/44/497103244.db2.gz XXTOUKSTTYRJTE-IRLDBZIGSA-N 0 3 350.462 3.445 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2CCCCC2)cc1 ZINC000278553789 497151963 /nfs/dbraw/zinc/15/19/63/497151963.db2.gz HQZBEOUWOFZROB-AWEZNQCLSA-N 0 3 363.483 3.416 20 30 FGEDHN CN(C)c1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278594872 497161523 /nfs/dbraw/zinc/16/15/23/497161523.db2.gz HGFHUQZIEWFPBO-UHFFFAOYSA-N 0 3 360.465 3.215 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000274900957 497195366 /nfs/dbraw/zinc/19/53/66/497195366.db2.gz HBCACXUCPGEQIO-UHFFFAOYSA-N 0 3 364.493 3.396 20 30 FGEDHN COc1ccc(CN[C@H]2CCN(CC(F)(F)F)C2)cc1OCCCC#N ZINC000237181814 497202392 /nfs/dbraw/zinc/20/23/92/497202392.db2.gz KMMXLFDLNZSQPJ-HNNXBMFYSA-N 0 3 371.403 3.104 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)ccc1OC ZINC000275536236 497356845 /nfs/dbraw/zinc/35/68/45/497356845.db2.gz MIIDQDQHBNFKJX-GHTZIAJQSA-N 0 3 371.481 3.394 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000245394093 497382998 /nfs/dbraw/zinc/38/29/98/497382998.db2.gz DZRYUVAJELILDQ-WOJBJXKFSA-N 0 3 368.525 3.109 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000245404538 497388046 /nfs/dbraw/zinc/38/80/46/497388046.db2.gz POLUGHICYZCAGN-SJORKVTESA-N 0 3 354.498 3.353 20 30 FGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000279377354 497421611 /nfs/dbraw/zinc/42/16/11/497421611.db2.gz JSBCWUHJMGKTCJ-RTBURBONSA-N 0 3 367.497 3.494 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000271726214 497430512 /nfs/dbraw/zinc/43/05/12/497430512.db2.gz YUPFTRJHZXIQBW-AWEZNQCLSA-N 0 3 352.394 3.454 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261718194 497437898 /nfs/dbraw/zinc/43/78/98/497437898.db2.gz KXUMBTFDHNEIRD-ZWKOTPCHSA-N 0 3 367.518 3.330 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271911928 497486144 /nfs/dbraw/zinc/48/61/44/497486144.db2.gz BAACDEPPSDKUQF-FZMZJTMJSA-N 0 3 350.340 3.066 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245648519 497487002 /nfs/dbraw/zinc/48/70/02/497487002.db2.gz GLKZPAPIJNSIFP-KURKYZTESA-N 0 3 351.535 3.262 20 30 FGEDHN C=CCN(Cc1cccc2c1NCC2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262000960 497490151 /nfs/dbraw/zinc/49/01/51/497490151.db2.gz UDICZWGWGHQZKP-MRXNPFEDSA-N 0 3 360.465 3.380 20 30 FGEDHN C[C@@H](NCc1ccccc1CN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271931557 497490587 /nfs/dbraw/zinc/49/05/87/497490587.db2.gz LDVUKUUWHKPLSW-MRXNPFEDSA-N 0 3 353.441 3.380 20 30 FGEDHN C[C@@H](Cc1ccc(F)cc1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190606974 497543264 /nfs/dbraw/zinc/54/32/64/497543264.db2.gz VEMIUSJLBHCMND-YWZLYKJASA-N 0 3 351.425 3.019 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000190620170 497548946 /nfs/dbraw/zinc/54/89/46/497548946.db2.gz IIJZGZYRUXNZHO-IIBYNOLFSA-N 0 3 362.477 3.076 20 30 FGEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)nn1CCC#N ZINC000272154090 497549100 /nfs/dbraw/zinc/54/91/00/497549100.db2.gz XZGAHAKZLDIRHN-UHFFFAOYSA-N 0 3 368.485 3.009 20 30 FGEDHN Cn1cc(CN[C@H]2CCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272205036 497564148 /nfs/dbraw/zinc/56/41/48/497564148.db2.gz YXADUJGUSLGPEE-FQEVSTJZSA-N 0 3 357.461 3.327 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000245930382 497576674 /nfs/dbraw/zinc/57/66/74/497576674.db2.gz ZXTKDSQNBJLOMF-UZKOGDIHSA-N 0 3 366.461 3.055 20 30 FGEDHN COc1cc(OC)cc([C@@H]2CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000246133438 497632586 /nfs/dbraw/zinc/63/25/86/497632586.db2.gz ZTUQVTOIJHHMTR-DYESRHJHSA-N 0 3 352.434 3.098 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000575096990 505920164 /nfs/dbraw/zinc/92/01/64/505920164.db2.gz MUPPSXKWOSQORF-AZUAARDMSA-N 0 3 368.868 3.185 20 30 FGEDHN N#CC(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1cnc2ccccc2n1 ZINC000190985460 497672272 /nfs/dbraw/zinc/67/22/72/497672272.db2.gz IJEVQCOKTQPOSZ-INIZCTEOSA-N 0 3 356.385 3.468 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194455242 497673157 /nfs/dbraw/zinc/67/31/57/497673157.db2.gz VYOPJPBPIDOMEF-NRFANRHFSA-N 0 3 362.477 3.222 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccc1-n1cncn1 ZINC000190992454 497675491 /nfs/dbraw/zinc/67/54/91/497675491.db2.gz SDJZKPULUKQLMR-HNNXBMFYSA-N 0 3 354.373 3.009 20 30 FGEDHN C[C@@H]1C[C@@H](Nc2nccc(C#N)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000268516946 497770673 /nfs/dbraw/zinc/77/06/73/497770673.db2.gz TYTOREROTFVGNE-PBHICJAKSA-N 0 3 351.410 3.326 20 30 FGEDHN COc1cccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCCC2)c1 ZINC000194836796 497786897 /nfs/dbraw/zinc/78/68/97/497786897.db2.gz RXUVESPQORKIEF-NRFANRHFSA-N 0 3 363.461 3.063 20 30 FGEDHN CC[C@@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccc(C)cc1 ZINC000299532028 497837835 /nfs/dbraw/zinc/83/78/35/497837835.db2.gz CGRNAGDZNDSSBE-CQSZACIVSA-O 0 3 371.482 3.338 20 30 FGEDHN CC1(C)C[C@H]([NH+]=C([O-])N[C@@H]2CCc3nc[nH]c3C2)c2ccc(F)cc2O1 ZINC000329599761 497840693 /nfs/dbraw/zinc/84/06/93/497840693.db2.gz JWJBGODVCQGBTA-WBMJQRKESA-N 0 3 358.417 3.212 20 30 FGEDHN CC1(C)C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH]cnc3C2)c2ccc(F)cc2O1 ZINC000329599761 497840697 /nfs/dbraw/zinc/84/06/97/497840697.db2.gz JWJBGODVCQGBTA-WBMJQRKESA-N 0 3 358.417 3.212 20 30 FGEDHN C[C@H]1N(CC(=O)NCCO[C@H]2CCCC[C@H]2C)CCC12CCOCC2 ZINC000329697975 497873773 /nfs/dbraw/zinc/87/37/73/497873773.db2.gz YQKABXCSNWPFGB-KURKYZTESA-N 0 3 352.519 3.429 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000329726190 497880789 /nfs/dbraw/zinc/88/07/89/497880789.db2.gz DSNNSWGYGVFBBY-IFMALSPDSA-N 0 3 371.525 3.421 20 30 FGEDHN CC(C)c1nc(C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)no1 ZINC000299653245 497881755 /nfs/dbraw/zinc/88/17/55/497881755.db2.gz MDPPJZXNFPQSHO-UHFFFAOYSA-N 0 3 367.453 3.273 20 30 FGEDHN CN(Cc1ccccc1N1CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280774717 497893820 /nfs/dbraw/zinc/89/38/20/497893820.db2.gz JTNQDEGJKJNBMH-OAQYLSRUSA-N 0 3 372.472 3.499 20 30 FGEDHN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]C[C@@]1(C)CCCS1)C2 ZINC000329816159 497912046 /nfs/dbraw/zinc/91/20/46/497912046.db2.gz DUMOACUXLRRTOV-SCLBCKFNSA-N 0 3 350.532 3.285 20 30 FGEDHN CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[C@H]2O)c2cccs2)CC1 ZINC000329826515 497915699 /nfs/dbraw/zinc/91/56/99/497915699.db2.gz RGFCSBARSBSOSH-GVDBMIGSSA-N 0 3 365.543 3.186 20 30 FGEDHN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000329863540 497932592 /nfs/dbraw/zinc/93/25/92/497932592.db2.gz RYLHRJPNISRIIE-SJLPKXTDSA-N 0 3 356.445 3.275 20 30 FGEDHN CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)CC2 ZINC000329883207 497938424 /nfs/dbraw/zinc/93/84/24/497938424.db2.gz QVVNLKHLZIOJIX-WBVHZDCISA-N 0 3 359.518 3.470 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C3CC3)C2)cc1 ZINC000288924617 497945005 /nfs/dbraw/zinc/94/50/05/497945005.db2.gz VCAHSPMBTZLSHS-HIFRSBDPSA-N 0 3 361.467 3.026 20 30 FGEDHN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329948990 497964922 /nfs/dbraw/zinc/96/49/22/497964922.db2.gz LDKPWOBGOMBMDV-CTNGQTDRSA-N 0 3 369.509 3.496 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000330005096 497988156 /nfs/dbraw/zinc/98/81/56/497988156.db2.gz BPAHEBFWMDBCHP-KZNAEPCWSA-N 0 3 367.559 3.127 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)[N-]C2CCC2)c1 ZINC000292400202 498000504 /nfs/dbraw/zinc/00/05/04/498000504.db2.gz XDJIFLQFZKJLDF-UHFFFAOYSA-O 0 3 369.466 3.092 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CCN1C ZINC000330055317 498005663 /nfs/dbraw/zinc/00/56/63/498005663.db2.gz UEFXZWXDNHFNSR-MNOVXSKESA-N 0 3 368.268 3.361 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000330085543 498015858 /nfs/dbraw/zinc/01/58/58/498015858.db2.gz CXEDLDLSQFZIHD-DYVFJYSZSA-N 0 3 359.861 3.097 20 30 FGEDHN C[C@H]1C[C@@H](O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000292474370 498030011 /nfs/dbraw/zinc/03/00/11/498030011.db2.gz RQMFDYQVADOHLP-KBPBESRZSA-N 0 3 361.511 3.062 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000281201747 498054142 /nfs/dbraw/zinc/05/41/42/498054142.db2.gz YENQYRRISKRZIY-QFBILLFUSA-N 0 3 361.486 3.038 20 30 FGEDHN C#CCNC(=O)c1ccc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)nc1 ZINC000301440147 498110405 /nfs/dbraw/zinc/11/04/05/498110405.db2.gz TZZRWYGXEPSZTP-BEFAXECRSA-N 0 3 368.506 3.001 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000364731916 498119160 /nfs/dbraw/zinc/11/91/60/498119160.db2.gz WOCAMDRPLTWSCP-GOSISDBHSA-N 0 3 370.541 3.260 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNc2ccc(Cl)c(C#N)n2)CC1 ZINC000301499219 498137519 /nfs/dbraw/zinc/13/75/19/498137519.db2.gz CYJGBDNZIATRSJ-UHFFFAOYSA-N 0 3 369.900 3.356 20 30 FGEDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000330473065 498137998 /nfs/dbraw/zinc/13/79/98/498137998.db2.gz PWHBEZVVZAEWJP-UHFFFAOYSA-N 0 3 370.247 3.456 20 30 FGEDHN COc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1[O-] ZINC000289424527 498142483 /nfs/dbraw/zinc/14/24/83/498142483.db2.gz JQZZFCAQTLCEPZ-UHFFFAOYSA-N 0 3 351.450 3.027 20 30 FGEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281437185 498150597 /nfs/dbraw/zinc/15/05/97/498150597.db2.gz DZZZVNORIWZCLF-DJKXOVBDSA-N 0 3 365.408 3.008 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)nc1 ZINC000301621609 498192416 /nfs/dbraw/zinc/19/24/16/498192416.db2.gz NJZBSKIBISWJDZ-APWZRJJASA-N 0 3 350.466 3.072 20 30 FGEDHN CC1(C#N)CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000285862188 498222919 /nfs/dbraw/zinc/22/29/19/498222919.db2.gz RBHNRKAXMXRTBG-QGZVFWFLSA-N 0 3 361.436 3.296 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)cc(OC)c1O ZINC000359976786 498232299 /nfs/dbraw/zinc/23/22/99/498232299.db2.gz VIIWUDGVWPWSII-RTBURBONSA-N 0 3 358.482 3.105 20 30 FGEDHN Cc1nn(C(C)C)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000281687158 498236437 /nfs/dbraw/zinc/23/64/37/498236437.db2.gz RXGHZCGKLQQHFO-UHFFFAOYSA-N 0 3 351.498 3.352 20 30 FGEDHN CC[C@@H](CC#N)NCCCOc1cccc(I)c1 ZINC000569758140 506009328 /nfs/dbraw/zinc/00/93/28/506009328.db2.gz YCAITCISDUJCEX-ZDUSSCGKSA-N 0 3 358.223 3.342 20 30 FGEDHN COC[C@@]1(CN[C@H](C)c2ccc(OCC#N)cc2)OCCc2ccccc21 ZINC000289899614 498345292 /nfs/dbraw/zinc/34/52/92/498345292.db2.gz TVAAEWBXJGIXHG-VGOFRKELSA-N 0 3 366.461 3.354 20 30 FGEDHN CN1CCN([C@H](CN[C@H]2CCc3ccc(C#N)cc32)c2cccs2)CC1 ZINC000572652610 506020709 /nfs/dbraw/zinc/02/07/09/506020709.db2.gz HPSDEWSLJVDMMV-VQTJNVASSA-N 0 3 366.534 3.185 20 30 FGEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599395833 506441545 /nfs/dbraw/zinc/44/15/45/506441545.db2.gz LOEVQILRGYDCGU-ROUUACIJSA-N 0 3 366.889 3.031 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000302216303 498446967 /nfs/dbraw/zinc/44/69/67/498446967.db2.gz PEQDOMCOAGXLRM-IYBDPMFKSA-N 0 3 372.469 3.182 20 30 FGEDHN CCN1CCN(c2cccc(Nc3cc(C#N)ccc3[N+](=O)[O-])c2)CC1 ZINC000302270916 498462922 /nfs/dbraw/zinc/46/29/22/498462922.db2.gz RXOUVKXAFSWYJI-UHFFFAOYSA-N 0 3 351.410 3.352 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-c2cncnc2)cc1 ZINC000362288599 498489636 /nfs/dbraw/zinc/48/96/36/498489636.db2.gz XJCRZWVDLHLCCF-IIBYNOLFSA-N 0 3 374.444 3.106 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(-c2cncnc2)cc1 ZINC000362288597 498489893 /nfs/dbraw/zinc/48/98/93/498489893.db2.gz XJCRZWVDLHLCCF-IERDGZPVSA-N 0 3 374.444 3.106 20 30 FGEDHN CN1CC[C@H](CNC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000365484463 498491893 /nfs/dbraw/zinc/49/18/93/498491893.db2.gz ZKMWFNXJVUXLDO-AEFFLSMTSA-N 0 3 354.479 3.112 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccnn1CC ZINC000572754191 506043876 /nfs/dbraw/zinc/04/38/76/506043876.db2.gz PEGKGMPALKRPAV-UHFFFAOYSA-N 0 3 374.558 3.044 20 30 FGEDHN CC(C)[C@@]1(CO)CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000293865135 498516849 /nfs/dbraw/zinc/51/68/49/498516849.db2.gz CHKDBWYQNYLVTP-NRFANRHFSA-N 0 3 367.497 3.089 20 30 FGEDHN COc1cc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)ccc1OCCO ZINC000575977409 506047204 /nfs/dbraw/zinc/04/72/04/506047204.db2.gz CORCIGBVOTXIQB-KUHUBIRLSA-N 0 3 352.434 3.276 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302664346 498526439 /nfs/dbraw/zinc/52/64/39/498526439.db2.gz MIEDNJLRIUXOPA-CQSZACIVSA-N 0 3 354.420 3.263 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(CC#N)cc1 ZINC000569964291 506057698 /nfs/dbraw/zinc/05/76/98/506057698.db2.gz MOILDTRGXBUCRT-UHFFFAOYSA-N 0 3 368.456 3.165 20 30 FGEDHN COc1ccc([C@H](CNCc2ccc(C#N)cc2F)N(C)C)cc1OC ZINC000298067328 498655600 /nfs/dbraw/zinc/65/56/00/498655600.db2.gz AXRFIELFMVNEFL-SFHVURJKSA-N 0 3 357.429 3.107 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C ZINC000287174541 498659946 /nfs/dbraw/zinc/65/99/46/498659946.db2.gz JTJPTHDWFDJXJX-SMDDNHRTSA-N 0 3 365.275 3.267 20 30 FGEDHN C=CCc1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc(OC)c1OC ZINC000287224969 498680148 /nfs/dbraw/zinc/68/01/48/498680148.db2.gz QJAGXBQNPLZYHS-CRAIPNDOSA-N 0 3 358.482 3.131 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccc(OC)cc3C3(CC3)C2)CC1 ZINC000290877112 498709312 /nfs/dbraw/zinc/70/93/12/498709312.db2.gz RYZMFTPLKPYTPV-UHFFFAOYSA-N 0 3 369.509 3.293 20 30 FGEDHN C#CCOc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000363251742 498728806 /nfs/dbraw/zinc/72/88/06/498728806.db2.gz JJXCZAFTGCTFEW-APWZRJJASA-N 0 3 354.475 3.183 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccc(Cl)c1 ZINC000363360019 498779238 /nfs/dbraw/zinc/77/92/38/498779238.db2.gz BJDHWFCZDFWCIH-QAPCUYQASA-N 0 3 356.857 3.353 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)N3CCc4sccc4C3)CC2)c1 ZINC000298778639 498876100 /nfs/dbraw/zinc/87/61/00/498876100.db2.gz DCLNJBUBLIKOSU-UHFFFAOYSA-N 0 3 351.475 3.173 20 30 FGEDHN O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000328623335 498879507 /nfs/dbraw/zinc/87/95/07/498879507.db2.gz YTLNHVUELIMKMD-RTBURBONSA-N 0 3 363.546 3.494 20 30 FGEDHN CC[C@H](NCCn1cnc(C#N)n1)c1ccc(Br)cc1Cl ZINC000570189170 506111665 /nfs/dbraw/zinc/11/16/65/506111665.db2.gz BXZLTXIDEBPMDK-ZDUSSCGKSA-N 0 3 368.666 3.307 20 30 FGEDHN C=CCN(CCC#N)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000573077855 506113454 /nfs/dbraw/zinc/11/34/54/506113454.db2.gz RXTWBFIGMWAZIX-SFHVURJKSA-N 0 3 365.399 3.369 20 30 FGEDHN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328787103 498939701 /nfs/dbraw/zinc/93/97/01/498939701.db2.gz LBKXXAQFECMDBV-JFTQMJAMSA-N 0 3 366.889 3.487 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328821623 498949473 /nfs/dbraw/zinc/94/94/73/498949473.db2.gz REYHVILKZUOYFN-CRAIPNDOSA-N 0 3 369.465 3.394 20 30 FGEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000328827058 498952372 /nfs/dbraw/zinc/95/23/72/498952372.db2.gz IHTAQBGMTGOHMA-GCUGWZBJSA-N 0 3 357.454 3.342 20 30 FGEDHN CCc1ccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)s1 ZINC000328944420 498993839 /nfs/dbraw/zinc/99/38/39/498993839.db2.gz GAQIARVJYHWRTD-SCTDSRPQSA-N 0 3 366.527 3.019 20 30 FGEDHN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000328946754 498994429 /nfs/dbraw/zinc/99/44/29/498994429.db2.gz GPFMTSNXJKWGLA-GUDVDZBRSA-N 0 3 357.454 3.052 20 30 FGEDHN CNC(=O)Cc1nc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cs1 ZINC000329064007 499030603 /nfs/dbraw/zinc/03/06/03/499030603.db2.gz KLAJEJLSWYEFSO-FGTMMUONSA-N 0 3 371.506 3.276 20 30 FGEDHN CC1(CNC(=O)NCC2(N3CCSCC3)CCCCC2)CCOCC1 ZINC000329067057 499032251 /nfs/dbraw/zinc/03/22/51/499032251.db2.gz WUYREMVSXAKIHC-UHFFFAOYSA-N 0 3 369.575 3.058 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000295675993 499078260 /nfs/dbraw/zinc/07/82/60/499078260.db2.gz RPMIQWXITHGUMJ-OAHLLOKOSA-N 0 3 352.438 3.330 20 30 FGEDHN Cc1ccc(SC[C@@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000570274349 506130574 /nfs/dbraw/zinc/13/05/74/506130574.db2.gz OZXXZBFMTUQWIL-MRXNPFEDSA-N 0 3 374.531 3.411 20 30 FGEDHN CCn1ncc(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1C(F)(F)F ZINC000329261198 499086892 /nfs/dbraw/zinc/08/68/92/499086892.db2.gz ZDHIZRVDQTVZSD-NEPJUHHUSA-N 0 3 359.396 3.026 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@@H]2CCCC[C@H]2O)C1 ZINC000329308337 499095369 /nfs/dbraw/zinc/09/53/69/499095369.db2.gz ZRHXDHISRLOVEY-BTHPGYMESA-N 0 3 359.514 3.219 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)NCC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000366872958 499101928 /nfs/dbraw/zinc/10/19/28/499101928.db2.gz GZABOPGSNJTWSM-HKUYNNGSSA-N 0 3 354.498 3.375 20 30 FGEDHN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000329405453 499116016 /nfs/dbraw/zinc/11/60/16/499116016.db2.gz BTQPEDBMEPTBIX-IUODEOHRSA-N 0 3 360.483 3.185 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)CCC1=O ZINC000329423337 499118934 /nfs/dbraw/zinc/11/89/34/499118934.db2.gz FGQZFMRSTHHIGP-MDZRGWNJSA-N 0 3 358.482 3.105 20 30 FGEDHN C#CCC1(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCCCC1 ZINC000372697093 499162412 /nfs/dbraw/zinc/16/24/12/499162412.db2.gz RRNMSZXZZKTPOU-KDURUIRLSA-N 0 3 360.542 3.308 20 30 FGEDHN C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(n2cnc(C#N)n2)CC1 ZINC000370123645 499184081 /nfs/dbraw/zinc/18/40/81/499184081.db2.gz TVJZPVXRHLQJLZ-LBPRGKRZSA-N 0 3 365.359 3.446 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000372852040 499184339 /nfs/dbraw/zinc/18/43/39/499184339.db2.gz MJMWBFCJFVIXFX-WOJBJXKFSA-N 0 3 365.864 3.070 20 30 FGEDHN N#Cc1ccc2ncc(CN3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)n2c1 ZINC000367675733 499223854 /nfs/dbraw/zinc/22/38/54/499223854.db2.gz ZSQJIYXMVRZQAD-QHAWAJNXSA-N 0 3 358.445 3.210 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000370664167 499241834 /nfs/dbraw/zinc/24/18/34/499241834.db2.gz CCVKLBHVWVGNER-IEBWSBKVSA-N 0 3 363.461 3.462 20 30 FGEDHN Cc1cnccc1OC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000368054502 499259952 /nfs/dbraw/zinc/25/99/52/499259952.db2.gz DSEITNXQACTDLN-UHFFFAOYSA-N 0 3 370.478 3.195 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000573189194 506139186 /nfs/dbraw/zinc/13/91/86/506139186.db2.gz YVYRCSCUZIIOOT-OUENDJJVSA-N 0 3 373.522 3.229 20 30 FGEDHN CN1CCC(N(Cc2ccccc2F)C(=O)c2cc(C#N)cs2)CC1 ZINC000371191510 499297320 /nfs/dbraw/zinc/29/73/20/499297320.db2.gz XBCMDQORONMTTN-UHFFFAOYSA-N 0 3 357.454 3.495 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000368803860 499334402 /nfs/dbraw/zinc/33/44/02/499334402.db2.gz FCXIDAFKRJWRJU-UHFFFAOYSA-N 0 3 354.479 3.084 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CCOCC2)[C@@H]1C ZINC000368835978 499337957 /nfs/dbraw/zinc/33/79/57/499337957.db2.gz VYGMVLSTNRIPAL-SJORKVTESA-N 0 3 373.472 3.352 20 30 FGEDHN C=CCN(C(=O)NCc1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368926963 499347147 /nfs/dbraw/zinc/34/71/47/499347147.db2.gz ZSOAZPHTUQIGAV-HXUWFJFHSA-N 0 3 350.466 3.054 20 30 FGEDHN C=CCN(C(=O)NCc1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368925325 499347196 /nfs/dbraw/zinc/34/71/96/499347196.db2.gz RFMRNFXQXHHOHZ-HXUWFJFHSA-N 0 3 350.466 3.054 20 30 FGEDHN Cc1ncc(CN2CC[C@H](NCc3ccc(F)cc3C#N)[C@@H](C)C2)s1 ZINC000368965604 499351363 /nfs/dbraw/zinc/35/13/63/499351363.db2.gz LGFDUBXIZSPBNK-DJJJIMSYSA-N 0 3 358.486 3.463 20 30 FGEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000369161318 499372761 /nfs/dbraw/zinc/37/27/61/499372761.db2.gz DXOZCWNLXGBYSE-FQEVSTJZSA-N 0 3 373.460 3.007 20 30 FGEDHN CN1CC[C@H](CNC(=O)c2ccc(C#N)nc2)[C@@H]1c1cccc(Cl)c1 ZINC000369358248 499395296 /nfs/dbraw/zinc/39/52/96/499395296.db2.gz KQCMUVXRZFDLTA-KDOFPFPSSA-N 0 3 354.841 3.029 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369564727 499418626 /nfs/dbraw/zinc/41/86/26/499418626.db2.gz NMAQKCNNNKVTAL-URLQWDBASA-N 0 3 369.490 3.196 20 30 FGEDHN CCN1CCc2c(cccc2NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000373406446 499468043 /nfs/dbraw/zinc/46/80/43/499468043.db2.gz RCLWYQAGSMHHRC-IBGZPJMESA-N 0 3 358.445 3.257 20 30 FGEDHN Cc1csc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000373460022 499471110 /nfs/dbraw/zinc/47/11/10/499471110.db2.gz NLDKOEIFSMBVDM-SFHVURJKSA-N 0 3 364.474 3.412 20 30 FGEDHN Cn1cc(CN(CCO)[C@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000378494830 499524188 /nfs/dbraw/zinc/52/41/88/499524188.db2.gz LILGDMUDWFSCLA-QFIPXVFZSA-N 0 3 372.472 3.441 20 30 FGEDHN Cc1ncc(CN2CC[C@H](NCc3cc(C#N)ccc3F)[C@H](C)C2)s1 ZINC000375514377 499527215 /nfs/dbraw/zinc/52/72/15/499527215.db2.gz NPVVRZQOUQRIGE-YJYMSZOUSA-N 0 3 358.486 3.463 20 30 FGEDHN COc1cc(C#N)ccc1CN[C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000375516179 499527662 /nfs/dbraw/zinc/52/76/62/499527662.db2.gz YMRBOCQDNXIBBF-KUHUBIRLSA-N 0 3 370.522 3.332 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(n2cc(Cl)cn2)CC1 ZINC000378586280 499534700 /nfs/dbraw/zinc/53/47/00/499534700.db2.gz FPJPCMREXIXQHU-UHFFFAOYSA-N 0 3 363.874 3.135 20 30 FGEDHN Cc1ccncc1C1=CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000375644970 499541030 /nfs/dbraw/zinc/54/10/30/499541030.db2.gz ZVUXEMDWZYTDQA-HXUWFJFHSA-N 0 3 356.429 3.260 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000396572396 499563131 /nfs/dbraw/zinc/56/31/31/499563131.db2.gz OUDPKESONDQEQS-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN N#CCc1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC000404200555 499569944 /nfs/dbraw/zinc/56/99/44/499569944.db2.gz PSRTUDLNBDOXLT-DHIUTWEWSA-N 0 3 361.489 3.228 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccc(C#N)cc1 ZINC000375975201 499572748 /nfs/dbraw/zinc/57/27/48/499572748.db2.gz LYSAKPABSDPBBW-OKYOBFRVSA-N 0 3 371.481 3.112 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CCC3)CC2)cc1 ZINC000376630639 499624732 /nfs/dbraw/zinc/62/47/32/499624732.db2.gz RZZMVXHWIAIFAG-CQSZACIVSA-N 0 3 361.467 3.170 20 30 FGEDHN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN(C2CCCCC2)CC1 ZINC000582180671 506152841 /nfs/dbraw/zinc/15/28/41/506152841.db2.gz KBFKEEFPPULZSC-UHFFFAOYSA-N 0 3 371.451 3.414 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2O1 ZINC000377093516 499661624 /nfs/dbraw/zinc/66/16/24/499661624.db2.gz KWJCXFINLLJKGA-OALUTQOASA-N 0 3 363.461 3.430 20 30 FGEDHN CSCC[C@](C)(C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410850343 499682243 /nfs/dbraw/zinc/68/22/43/499682243.db2.gz CKPFECDPIWGHRX-LALPHHSUSA-N 0 3 365.465 3.047 20 30 FGEDHN N#Cc1ncc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000411035861 499691602 /nfs/dbraw/zinc/69/16/02/499691602.db2.gz VRSLHSCBFZNCGZ-HNNXBMFYSA-N 0 3 354.841 3.457 20 30 FGEDHN COC(=O)[C@@H](C)[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411389941 499733329 /nfs/dbraw/zinc/73/33/29/499733329.db2.gz MXJJHLLKYIGGIF-YWZLYKJASA-N 0 3 365.433 3.027 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414189104 499767332 /nfs/dbraw/zinc/76/73/32/499767332.db2.gz QZEIFGOQHDJBOC-FPOVZHCZSA-N 0 3 359.510 3.292 20 30 FGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000411646162 499772890 /nfs/dbraw/zinc/77/28/90/499772890.db2.gz VBMOZOGOQPIMKG-INIZCTEOSA-N 0 3 374.554 3.083 20 30 FGEDHN CO[C@@](C)([C@@H](C)NCC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000411945776 499805538 /nfs/dbraw/zinc/80/55/38/499805538.db2.gz KUGPEGDIHLRODS-UTKZUKDTSA-N 0 3 357.498 3.343 20 30 FGEDHN CCS(=O)(=O)CCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000414545990 499806323 /nfs/dbraw/zinc/80/63/23/499806323.db2.gz SKCGBHSYBHWJEJ-UHFFFAOYSA-N 0 3 372.490 3.052 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000412333476 499845705 /nfs/dbraw/zinc/84/57/05/499845705.db2.gz FANFVYLPZIZXBC-HBMCJLEFSA-N 0 3 363.461 3.089 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415158799 499871596 /nfs/dbraw/zinc/87/15/96/499871596.db2.gz IWXPSGBAYHWPOE-RISCZKNCSA-N 0 3 354.426 3.200 20 30 FGEDHN Cc1cc(NCc2ccc(OCCN(C)C)cc2)c(C#N)cc1[N+](=O)[O-] ZINC000413079288 499910984 /nfs/dbraw/zinc/91/09/84/499910984.db2.gz NRSAAYWNAXLGMJ-UHFFFAOYSA-N 0 3 354.410 3.327 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)CC1 ZINC000413247723 499932135 /nfs/dbraw/zinc/93/21/35/499932135.db2.gz VWLWRUNLDJMJQD-OAHLLOKOSA-N 0 3 372.488 3.198 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421304035 500013885 /nfs/dbraw/zinc/01/38/85/500013885.db2.gz SXIGOBXQTZIZJT-QGZVFWFLSA-N 0 3 357.498 3.030 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNCc2ccc(C#N)c(F)c2)CC1 ZINC000421334758 500019667 /nfs/dbraw/zinc/01/96/67/500019667.db2.gz QQOVJBBYQHFZMY-UHFFFAOYSA-N 0 3 366.484 3.125 20 30 FGEDHN CCN1CCN(Cc2ccc(CNCc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421332878 500019939 /nfs/dbraw/zinc/01/99/39/500019939.db2.gz MMXITRPYIDHQQD-UHFFFAOYSA-N 0 3 366.484 3.125 20 30 FGEDHN CSC[C@H]1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000429277684 500041010 /nfs/dbraw/zinc/04/10/10/500041010.db2.gz VXPOJVMODIQUGT-VIHIWDAPSA-N 0 3 351.560 3.381 20 30 FGEDHN COc1ccc([C@@H](CNc2c(C#N)cccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000425204605 500043848 /nfs/dbraw/zinc/04/38/48/500043848.db2.gz UFVBILNDRVQQIM-MRXNPFEDSA-N 0 3 370.409 3.198 20 30 FGEDHN N#Cc1c2c(cnc1N1C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C1)CCC2 ZINC000425266036 500059927 /nfs/dbraw/zinc/05/99/27/500059927.db2.gz GRONBHKCMMYKHE-WOJBJXKFSA-N 0 3 358.489 3.400 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413897446 500089749 /nfs/dbraw/zinc/08/97/49/500089749.db2.gz DSZALVDUEYOKHH-CQSZACIVSA-N 0 3 371.412 3.044 20 30 FGEDHN C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)N1CCC[C@@H](C)C1 ZINC000416694730 500089752 /nfs/dbraw/zinc/08/97/52/500089752.db2.gz UIPUVOZBPSVNBB-QINHECLXSA-N 0 3 354.498 3.355 20 30 FGEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000429583200 500107282 /nfs/dbraw/zinc/10/72/82/500107282.db2.gz ABRCTSJUSDYGTH-RHSMWYFYSA-N 0 3 352.400 3.294 20 30 FGEDHN N#Cc1cccc2c1CCN2C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000421652811 500107704 /nfs/dbraw/zinc/10/77/04/500107704.db2.gz UZHQEOPSDSMMDF-UHFFFAOYSA-N 0 3 374.488 3.050 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421702023 500122102 /nfs/dbraw/zinc/12/21/02/500122102.db2.gz IYCBUUBSTJGZMH-AWEZNQCLSA-N 0 3 356.388 3.436 20 30 FGEDHN COC(=O)[C@@H]1CN([C@@H](C)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425508288 500127944 /nfs/dbraw/zinc/12/79/44/500127944.db2.gz HHQRBILJKQTENC-VBNZEHGJSA-N 0 3 365.271 3.330 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(C#N)cs1 ZINC000416900278 500150862 /nfs/dbraw/zinc/15/08/62/500150862.db2.gz IKSHGHWNPYWFNI-UHFFFAOYSA-N 0 3 374.539 3.113 20 30 FGEDHN CCOC1(C)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000430090900 500190715 /nfs/dbraw/zinc/19/07/15/500190715.db2.gz UPAVKKNDWBUQEJ-UHFFFAOYSA-N 0 3 353.470 3.250 20 30 FGEDHN C=CCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)cc1 ZINC000430107373 500193642 /nfs/dbraw/zinc/19/36/42/500193642.db2.gz SVSXVMQIWZBSJI-UXHICEINSA-N 0 3 359.466 3.042 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC[C@H]1CNCCO1)c1ccc(C(F)(F)F)cc1 ZINC000417942641 500201903 /nfs/dbraw/zinc/20/19/03/500201903.db2.gz SYPHCYOIJLECFK-HZPDHXFCSA-N 0 3 371.403 3.000 20 30 FGEDHN CC(C)[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1CCCCC1 ZINC000426001485 500223468 /nfs/dbraw/zinc/22/34/68/500223468.db2.gz YEAPHCBTNJLERC-FQEVSTJZSA-N 0 3 357.498 3.044 20 30 FGEDHN CCOC(=O)Cn1nc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000418144805 500236868 /nfs/dbraw/zinc/23/68/68/500236868.db2.gz LRAFHDYDJYYYHO-HXUWFJFHSA-N 0 3 366.465 3.102 20 30 FGEDHN COc1cc(CN2CCC[C@H]2CCO)ccc1OCc1cccc(C#N)c1 ZINC000426202589 500247100 /nfs/dbraw/zinc/24/71/00/500247100.db2.gz VVIVBCSBOYZARP-FQEVSTJZSA-N 0 3 366.461 3.493 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCNCc1cccnc1 ZINC000418323090 500262539 /nfs/dbraw/zinc/26/25/39/500262539.db2.gz DJPHLICQHMEFMI-UHFFFAOYSA-N 0 3 365.481 3.055 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C[C@@H](c2cccs2)N2CCC(C)CC2)C1=O ZINC000419929460 500407750 /nfs/dbraw/zinc/40/77/50/500407750.db2.gz VSBDGBJNGWPFOY-HOTGVXAUSA-N 0 3 361.511 3.408 20 30 FGEDHN C=CCOc1ccc(C(=O)NC[C@H](N)c2ccccc2CC)cc1OC ZINC000423984632 500430186 /nfs/dbraw/zinc/43/01/86/500430186.db2.gz UKMKLAAQQUYZLP-SFHVURJKSA-N 0 3 354.450 3.252 20 30 FGEDHN C=CC[C@H](C(=O)N1CC[C@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000427772216 500430227 /nfs/dbraw/zinc/43/02/27/500430227.db2.gz DDFSCGHPHQQJKR-SFTDATJTSA-N 0 3 356.510 3.450 20 30 FGEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000424069089 500446749 /nfs/dbraw/zinc/44/67/49/500446749.db2.gz OMMRBVOTOYAGSK-CQSZACIVSA-N 0 3 365.359 3.159 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000424096130 500452196 /nfs/dbraw/zinc/45/21/96/500452196.db2.gz XRJUMWDICDLPNI-CABCVRRESA-N 0 3 350.260 3.134 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000424144432 500460002 /nfs/dbraw/zinc/46/00/02/500460002.db2.gz SFBOGZPDDGBPTM-CTNGQTDRSA-N 0 3 363.461 3.238 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000424181607 500464897 /nfs/dbraw/zinc/46/48/97/500464897.db2.gz CYRNEPIBRAJOSC-GDBMZVCRSA-N 0 3 357.351 3.124 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000424189212 500465563 /nfs/dbraw/zinc/46/55/63/500465563.db2.gz MAAJNPNZXJQTON-SJLPKXTDSA-N 0 3 351.454 3.151 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2cccc(C#N)c2)C1 ZINC000576608899 506198183 /nfs/dbraw/zinc/19/81/83/506198183.db2.gz GWVCHRMGYVYEDN-UWJYYQICSA-N 0 3 362.477 3.235 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC2CCN(CCc3ccccc3)CC2)s1 ZINC000420801799 500505092 /nfs/dbraw/zinc/50/50/92/500505092.db2.gz OVBWMXINTWHHEO-UHFFFAOYSA-N 0 3 368.506 3.126 20 30 FGEDHN N#C[C@@H](c1ccccc1)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000570586904 506200449 /nfs/dbraw/zinc/20/04/49/506200449.db2.gz FASGBZOMBAGAKZ-GOTSBHOMSA-N 0 3 360.505 3.143 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ncc(C#N)cc1Cl ZINC000432524522 500527244 /nfs/dbraw/zinc/52/72/44/500527244.db2.gz CSMIYEODMXKFKS-UHFFFAOYSA-N 0 3 370.884 3.243 20 30 FGEDHN C=CCC1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCOCC1 ZINC000424714941 500548666 /nfs/dbraw/zinc/54/86/66/500548666.db2.gz MQEDDCHXOHYNMB-UHFFFAOYSA-N 0 3 372.509 3.202 20 30 FGEDHN Cc1ccc(C)c(OCCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428788068 500557618 /nfs/dbraw/zinc/55/76/18/500557618.db2.gz VSDLZHVBBFLLNL-LJQANCHMSA-N 0 3 351.450 3.492 20 30 FGEDHN N#CCCC[C@H](NCC(=O)NC(=O)NCc1cccs1)c1ccccc1 ZINC000433016980 500607948 /nfs/dbraw/zinc/60/79/48/500607948.db2.gz WGNBNRGALPMPOA-KRWDZBQOSA-N 0 3 370.478 3.099 20 30 FGEDHN N#CCCC[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1 ZINC000433036770 500610410 /nfs/dbraw/zinc/61/04/10/500610410.db2.gz YTUTUHMKVVJFAO-SFHVURJKSA-N 0 3 350.422 3.359 20 30 FGEDHN CC(C)(C)[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000576665598 506207290 /nfs/dbraw/zinc/20/72/90/506207290.db2.gz UUJDLGQNPQFEDM-GOSISDBHSA-N 0 3 357.479 3.104 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000433224693 500650516 /nfs/dbraw/zinc/65/05/16/500650516.db2.gz CBZCMCNDKDVLAB-FCHUYYIVSA-N 0 3 372.472 3.168 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000437511948 500653154 /nfs/dbraw/zinc/65/31/54/500653154.db2.gz BEIOYYYWZHLKPJ-BJLQDIEVSA-N 0 3 360.473 3.135 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000433390367 500686291 /nfs/dbraw/zinc/68/62/91/500686291.db2.gz ZUPWCDRONKSCIN-UYAOXDASSA-N 0 3 350.418 3.065 20 30 FGEDHN N#Cc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)s1 ZINC000443356282 500714422 /nfs/dbraw/zinc/71/44/22/500714422.db2.gz JALMWGQPCWZRGN-UHFFFAOYSA-N 0 3 373.453 3.032 20 30 FGEDHN CN(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1ccc(F)cc1 ZINC000443512858 500732611 /nfs/dbraw/zinc/73/26/11/500732611.db2.gz VVAWMHJLDLTRLW-HNNXBMFYSA-N 0 3 352.335 3.248 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(C#N)c1Br)N1CCC[C@@H](C)C1 ZINC000448704718 500809236 /nfs/dbraw/zinc/80/92/36/500809236.db2.gz OEJGGUSMWQNVBB-CHWSQXEVSA-N 0 3 364.287 3.171 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434503243 500853080 /nfs/dbraw/zinc/85/30/80/500853080.db2.gz NSGGZRLLPDQYOV-LJQANCHMSA-N 0 3 354.425 3.259 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000448921236 500869683 /nfs/dbraw/zinc/86/96/83/500869683.db2.gz LUGHUFQQKPCZRA-UHFFFAOYSA-N 0 3 374.282 3.378 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439316049 500884273 /nfs/dbraw/zinc/88/42/73/500884273.db2.gz KHQMWKPCHKPHIW-UHFFFAOYSA-N 0 3 351.853 3.363 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1cccc(C(F)(F)F)n1 ZINC000602579021 506223285 /nfs/dbraw/zinc/22/32/85/506223285.db2.gz QUHFFUACLJGFTR-CYBMUJFWSA-N 0 3 357.376 3.168 20 30 FGEDHN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@H](N)CCCCC#N)C2 ZINC000602580233 506223425 /nfs/dbraw/zinc/22/34/25/506223425.db2.gz XBCFWTGQQSWWAO-MRXNPFEDSA-N 0 3 364.287 3.054 20 30 FGEDHN CCN(CC)C(=O)c1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602593413 506226285 /nfs/dbraw/zinc/22/62/85/506226285.db2.gz NWXIAROZGADJNV-KRWDZBQOSA-N 0 3 357.498 3.357 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](CC)[C@@H](C)O)cc1OC ZINC000449532871 501027280 /nfs/dbraw/zinc/02/72/80/501027280.db2.gz ARAXQRVJZYUXGI-RISCZKNCSA-N 0 3 358.276 3.272 20 30 FGEDHN COc1cc(CNc2ccccc2CN2CCC(O)CC2)ccc1C#N ZINC000440814683 501051864 /nfs/dbraw/zinc/05/18/64/501051864.db2.gz ZQWVXSZRAGWLKQ-UHFFFAOYSA-N 0 3 351.450 3.136 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000611624250 506233633 /nfs/dbraw/zinc/23/36/33/506233633.db2.gz YQKRCHTXHCYSLR-HXUWFJFHSA-N 0 3 372.513 3.031 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc4c(cccc4F)[nH]3)C2=O)cc1 ZINC000436408998 501122011 /nfs/dbraw/zinc/12/20/11/501122011.db2.gz HSJDXVQAHSBXMA-HXUWFJFHSA-N 0 3 362.408 3.464 20 30 FGEDHN C=CCC1(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCCCC1 ZINC000450521618 501143532 /nfs/dbraw/zinc/14/35/32/501143532.db2.gz UWLYRAXNIIJUOS-FQEVSTJZSA-N 0 3 356.510 3.396 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442050552 501193430 /nfs/dbraw/zinc/19/34/30/501193430.db2.gz NBWDDHDREWZIQM-GFCCVEGCSA-N 0 3 370.375 3.453 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCO[C@@H](C)C1 ZINC000447113924 501205581 /nfs/dbraw/zinc/20/55/81/501205581.db2.gz NRBPVXBOXGWRIO-DLBZAZTESA-N 0 3 364.559 3.400 20 30 FGEDHN CN1CC[C@@H]2CN(c3c(C#N)cnc4c(Br)cccc43)C[C@@H]21 ZINC000450777772 501206814 /nfs/dbraw/zinc/20/68/14/501206814.db2.gz KHJWOCUXMNYJGY-ABAIWWIYSA-N 0 3 357.255 3.009 20 30 FGEDHN N#Cc1cccc(NCc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000450318008 501232565 /nfs/dbraw/zinc/23/25/65/501232565.db2.gz UXOULXVYWIICRD-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@H](O)Cc3ccccc3)CC2)c(F)c1 ZINC000450991724 501237366 /nfs/dbraw/zinc/23/73/66/501237366.db2.gz LASHFKRUNZBUHX-GOSISDBHSA-N 0 3 354.425 3.144 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@H]2CCc3c2cccc3O)c(OC)c1 ZINC000451176123 501250151 /nfs/dbraw/zinc/25/01/51/501250151.db2.gz OOBXRXANHQYXSM-APWZRJJASA-N 0 3 369.461 3.146 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H]2CCOC2(C)C)c1C#N ZINC000451245960 501254431 /nfs/dbraw/zinc/25/44/31/501254431.db2.gz VHILVJKHXQKQGL-GOSISDBHSA-N 0 3 366.465 3.061 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)c(I)c1 ZINC000453359124 501319855 /nfs/dbraw/zinc/31/98/55/501319855.db2.gz NPKHLZFNYKYZJG-FZZIBODNSA-N 0 3 361.198 3.424 20 30 FGEDHN COc1ccc([C@H](CCn2cncn2)NCc2ccc(C#N)c(F)c2)cc1 ZINC000453366285 501320994 /nfs/dbraw/zinc/32/09/94/501320994.db2.gz DCEZBHGELQNAOY-FQEVSTJZSA-N 0 3 365.412 3.219 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000451600931 501334277 /nfs/dbraw/zinc/33/42/77/501334277.db2.gz SPSARSANLFPROW-UXHICEINSA-N 0 3 350.462 3.168 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000451680834 501349291 /nfs/dbraw/zinc/34/92/91/501349291.db2.gz KVKIOQFMNNMZAO-INMHGKMJSA-N 0 3 359.495 3.343 20 30 FGEDHN C[C@@H]1CN(CCCNC(=O)Nc2ccc(CC#N)cc2Cl)CCCO1 ZINC000455734315 501375114 /nfs/dbraw/zinc/37/51/14/501375114.db2.gz PDMKAPOAOFJAHH-CQSZACIVSA-N 0 3 364.877 3.028 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458265234 501406988 /nfs/dbraw/zinc/40/69/88/501406988.db2.gz CQODUWOGBNSEFA-UHFFFAOYSA-N 0 3 367.497 3.355 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(OCCN(C)C)c(F)c1)c1cccc(C#N)c1 ZINC000458277016 501409757 /nfs/dbraw/zinc/40/97/57/501409757.db2.gz PZMWHOQPHKVNBC-AWEZNQCLSA-N 0 3 355.413 3.380 20 30 FGEDHN N#Cc1nc(C2CC2)oc1N1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000611667497 506251301 /nfs/dbraw/zinc/25/13/01/506251301.db2.gz NYSQKAOBWDUPAW-MRXNPFEDSA-N 0 3 362.477 3.351 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1F ZINC000458300441 501415661 /nfs/dbraw/zinc/41/56/61/501415661.db2.gz UVWVZJOFRLKRMS-QGZVFWFLSA-N 0 3 369.440 3.477 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)CN1CCCC1 ZINC000452095622 501434001 /nfs/dbraw/zinc/43/40/01/501434001.db2.gz LTPHPTOHINOJHC-MRXNPFEDSA-N 0 3 374.554 3.341 20 30 FGEDHN CS[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000456002090 501435651 /nfs/dbraw/zinc/43/56/51/501435651.db2.gz HEANVQHBOXBONE-MOPGFXCFSA-N 0 3 371.550 3.165 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](COC)CC1 ZINC000452104165 501436057 /nfs/dbraw/zinc/43/60/57/501436057.db2.gz NBJIGKXPJHWOPB-IRXDYDNUSA-N 0 3 350.528 3.400 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1C#N ZINC000456107375 501456329 /nfs/dbraw/zinc/45/63/29/501456329.db2.gz ICQKWTVJSUTRAF-SFHVURJKSA-N 0 3 371.481 3.317 20 30 FGEDHN COc1ccc2c(c1)CN(C(=O)C(C#N)CCc1ccccc1)CCO2 ZINC000456192916 501472375 /nfs/dbraw/zinc/47/23/75/501472375.db2.gz SJYIJYUFSCTNIL-QGZVFWFLSA-N 0 3 350.418 3.189 20 30 FGEDHN C=CCC1(NC(=O)NCc2ccnc(OCCN(C)C)c2)CCCCC1 ZINC000458616219 501489413 /nfs/dbraw/zinc/48/94/13/501489413.db2.gz LMMHTGHVPKQGBC-UHFFFAOYSA-N 0 3 360.502 3.100 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454358113 501522059 /nfs/dbraw/zinc/52/20/59/501522059.db2.gz FXKGAXDIRWVWEM-KXBFYZLASA-N 0 3 366.440 3.332 20 30 FGEDHN CC(C)OCCOC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000456810858 501603247 /nfs/dbraw/zinc/60/32/47/501603247.db2.gz URSWOELMJRNWFL-IBGZPJMESA-N 0 3 358.482 3.192 20 30 FGEDHN Cn1cc(CNC[C@@H]2Cc3ccccc3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000598988798 506263761 /nfs/dbraw/zinc/26/37/61/506263761.db2.gz ATQGFTSSTOJHIJ-NRFANRHFSA-N 0 3 358.445 3.190 20 30 FGEDHN CN(C)CCNC(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1 ZINC000598990470 506264937 /nfs/dbraw/zinc/26/49/37/506264937.db2.gz ACRNICMXBUKPFM-UHFFFAOYSA-N 0 3 374.847 3.254 20 30 FGEDHN N#CCCCC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457111830 501652198 /nfs/dbraw/zinc/65/21/98/501652198.db2.gz HRRADNDBDGFTHC-UHFFFAOYSA-N 0 3 374.916 3.147 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H](C(C)C)C2(CO)CCCC2)c(C#N)c1C ZINC000459545589 501673528 /nfs/dbraw/zinc/67/35/28/501673528.db2.gz SMJPOKZLOHDYFK-KRWDZBQOSA-N 0 3 363.527 3.342 20 30 FGEDHN COc1ccc([C@@H](CO)CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000459730236 501705203 /nfs/dbraw/zinc/70/52/03/501705203.db2.gz BIPHFRWGHOIJQL-MRXNPFEDSA-N 0 3 364.367 3.451 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2csc(Br)c2)cc1 ZINC000470816165 501814511 /nfs/dbraw/zinc/81/45/11/501814511.db2.gz GORKXXZRIQPGQS-CQSZACIVSA-N 0 3 374.263 3.381 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000470819164 501815137 /nfs/dbraw/zinc/81/51/37/501815137.db2.gz FPBSDROWGRCYFE-HXUWFJFHSA-N 0 3 373.456 3.105 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470829818 501821534 /nfs/dbraw/zinc/82/15/34/501821534.db2.gz FUCYSWGNVNFWGO-FQEVSTJZSA-N 0 3 359.429 3.464 20 30 FGEDHN CCCC(=O)Nc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470846119 501826798 /nfs/dbraw/zinc/82/67/98/501826798.db2.gz ZUJAXVIUYRGWRI-IBGZPJMESA-N 0 3 374.444 3.296 20 30 FGEDHN COc1cc(CNC(=O)C2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000460575532 501865407 /nfs/dbraw/zinc/86/54/07/501865407.db2.gz AECKJECXLPJCGN-UHFFFAOYSA-N 0 3 363.461 3.095 20 30 FGEDHN CSc1ccc(F)cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470973617 501878864 /nfs/dbraw/zinc/87/88/64/501878864.db2.gz FRSKIDKUFJMOBD-OAHLLOKOSA-N 0 3 353.422 3.418 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000470975621 501879337 /nfs/dbraw/zinc/87/93/37/501879337.db2.gz PPEUEJWBDPAXEB-JXFKEZNVSA-N 0 3 369.428 3.304 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474601531 501889894 /nfs/dbraw/zinc/88/98/94/501889894.db2.gz AEIOHNGHJRFTTG-GOSISDBHSA-N 0 3 364.449 3.305 20 30 FGEDHN CC[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000471040240 501900150 /nfs/dbraw/zinc/90/01/50/501900150.db2.gz SGJBQNZADGSGCX-IEBWSBKVSA-N 0 3 365.408 3.353 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2COc3ccc(Cl)cc32)cc1 ZINC000471062737 501906363 /nfs/dbraw/zinc/90/63/63/501906363.db2.gz TVGKNAWRLAHBQF-YOEHRIQHSA-N 0 3 351.793 3.144 20 30 FGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460777203 501918632 /nfs/dbraw/zinc/91/86/32/501918632.db2.gz FSZPCUIAMQYPFZ-SJORKVTESA-N 0 3 361.534 3.057 20 30 FGEDHN CCC1(CC)[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)[C@@H]1OC ZINC000471099299 501918647 /nfs/dbraw/zinc/91/86/47/501918647.db2.gz JZOARVPOCAIGQA-FZDIXFNVSA-N 0 3 353.466 3.196 20 30 FGEDHN Cn1cc(CNCCCC(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000478238798 501918810 /nfs/dbraw/zinc/91/88/10/501918810.db2.gz QLZWEFTWJILUCP-UHFFFAOYSA-N 0 3 354.454 3.170 20 30 FGEDHN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)C(C)C#N ZINC000478464230 501990358 /nfs/dbraw/zinc/99/03/58/501990358.db2.gz RCOKDBJJVFIXQL-IUODEOHRSA-N 0 3 353.260 3.063 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)C(=O)CSc1ccc(C#N)cc1 ZINC000486099359 502046382 /nfs/dbraw/zinc/04/63/82/502046382.db2.gz XIKLLXVROFMVJV-UHFFFAOYSA-N 0 3 353.491 3.241 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000471632413 502095068 /nfs/dbraw/zinc/09/50/68/502095068.db2.gz BSBBNZSBCKQJEJ-YADHBBJMSA-N 0 3 374.488 3.222 20 30 FGEDHN N#Cc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000461436583 502113131 /nfs/dbraw/zinc/11/31/31/502113131.db2.gz CSRYSTUXUYWOCK-IRXDYDNUSA-N 0 3 351.475 3.214 20 30 FGEDHN C=CCN(CCOC)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000478926267 502123391 /nfs/dbraw/zinc/12/33/91/502123391.db2.gz KFPZFUWNZCSIFW-FQEVSTJZSA-N 0 3 359.514 3.304 20 30 FGEDHN C[C@H](CCN1CCN(c2cccc(C#N)n2)CC1)OCc1ccccc1 ZINC000475309909 502128563 /nfs/dbraw/zinc/12/85/63/502128563.db2.gz ZQRMLNVPULTTTP-GOSISDBHSA-N 0 3 350.466 3.071 20 30 FGEDHN CCCCO[C@@H]1C[C@@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000482654674 502141719 /nfs/dbraw/zinc/14/17/19/502141719.db2.gz GHOCVTZWAWEEBA-IPMKNSEASA-N 0 3 355.482 3.237 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468809296 502191548 /nfs/dbraw/zinc/19/15/48/502191548.db2.gz CICKMIBVYLTHQL-KRWDZBQOSA-N 0 3 352.438 3.208 20 30 FGEDHN C[N@H+](CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000475557436 502212540 /nfs/dbraw/zinc/21/25/40/502212540.db2.gz BIZPPQKRRVBYSL-UHFFFAOYSA-N 0 3 369.918 3.145 20 30 FGEDHN C[N@@H+](CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000475557436 502212543 /nfs/dbraw/zinc/21/25/43/502212543.db2.gz BIZPPQKRRVBYSL-UHFFFAOYSA-N 0 3 369.918 3.145 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)s1)c1cccc(OC)c1 ZINC000486634656 502214813 /nfs/dbraw/zinc/21/48/13/502214813.db2.gz XWHGOJBATIPLGN-QGZVFWFLSA-N 0 3 357.479 3.441 20 30 FGEDHN C=CCCC1(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CC1 ZINC000475656441 502243385 /nfs/dbraw/zinc/24/33/85/502243385.db2.gz ODMUUOJRWMTVDB-UHFFFAOYSA-N 0 3 355.526 3.009 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C#N)c1cccc(OC)c1 ZINC000461945499 502247278 /nfs/dbraw/zinc/24/72/78/502247278.db2.gz DNRUKHRYSIMODG-QXAKKESOSA-N 0 3 358.486 3.070 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000472157512 502251725 /nfs/dbraw/zinc/25/17/25/502251725.db2.gz OZALGAQASUQWKC-QGZVFWFLSA-N 0 3 360.392 3.220 20 30 FGEDHN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472331745 502318821 /nfs/dbraw/zinc/31/88/21/502318821.db2.gz YDMMFZXYIZWUMR-KSSFIOAISA-N 0 3 363.392 3.157 20 30 FGEDHN C[C@@H]1OCC[C@@H]1N(CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483258283 502330073 /nfs/dbraw/zinc/33/00/73/502330073.db2.gz APGSNDJNHRSYQG-UGKGYDQZSA-N 0 3 364.489 3.358 20 30 FGEDHN C[C@H]1OCC[C@@H]1N(CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483258280 502330480 /nfs/dbraw/zinc/33/04/80/502330480.db2.gz APGSNDJNHRSYQG-KNQAVFIVSA-N 0 3 364.489 3.358 20 30 FGEDHN N#Cc1ccccc1Oc1ccccc1C(=O)NCCNc1ccncc1 ZINC000483284902 502338899 /nfs/dbraw/zinc/33/88/99/502338899.db2.gz RDZHNBYRTQFNPF-UHFFFAOYSA-N 0 3 358.401 3.009 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(c3ccncc3)CCCC2)cc1 ZINC000472425524 502347894 /nfs/dbraw/zinc/34/78/94/502347894.db2.gz JXRJZPJAOVLGBB-IBGZPJMESA-N 0 3 358.445 3.264 20 30 FGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469291057 502363975 /nfs/dbraw/zinc/36/39/75/502363975.db2.gz VDPSVWKXXWQZMO-GOSISDBHSA-N 0 3 366.465 3.454 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000465857459 502404683 /nfs/dbraw/zinc/40/46/83/502404683.db2.gz GUBKBGJOPXMCFE-LJQANCHMSA-N 0 3 371.525 3.310 20 30 FGEDHN CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602814760 506312090 /nfs/dbraw/zinc/31/20/90/506312090.db2.gz HLKOYTABVAKLEK-IEBWSBKVSA-N 0 3 372.538 3.434 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CCN1C ZINC000469471948 502429357 /nfs/dbraw/zinc/42/93/57/502429357.db2.gz FSNWULVQFXKOQF-DLBZAZTESA-N 0 3 352.482 3.500 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480015216 502446253 /nfs/dbraw/zinc/44/62/53/502446253.db2.gz GMPYEYRINPZWTA-MRXNPFEDSA-N 0 3 351.498 3.262 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000487556966 502477758 /nfs/dbraw/zinc/47/77/58/502477758.db2.gz KGKNPWBXZYCLTP-SFHVURJKSA-N 0 3 365.477 3.224 20 30 FGEDHN C=CC[C@H](CC)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000466376361 502551835 /nfs/dbraw/zinc/55/18/35/502551835.db2.gz HETMMCFNLCZMEB-LMMKCTJWSA-N 0 3 351.535 3.262 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000487965778 502582497 /nfs/dbraw/zinc/58/24/97/502582497.db2.gz GPAOXPUJNHKKTL-HZPDHXFCSA-N 0 3 364.449 3.475 20 30 FGEDHN C=CCN(CC(=O)NC[C@@H]1COc2ccccc2O1)CC1CCCCC1 ZINC000484513439 502658191 /nfs/dbraw/zinc/65/81/91/502658191.db2.gz JUJQADHVBRQZNL-GOSISDBHSA-N 0 3 358.482 3.011 20 30 FGEDHN C=CCN(CCN1CCCOCC1)Cc1cc(Br)ccc1F ZINC000463073479 502683495 /nfs/dbraw/zinc/68/34/95/502683495.db2.gz WSLGBNBKVDSWAY-UHFFFAOYSA-N 0 3 371.294 3.299 20 30 FGEDHN CCCCCC(=O)NC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000477139652 502688584 /nfs/dbraw/zinc/68/85/84/502688584.db2.gz RFXXZJVFDBPQNP-UHFFFAOYSA-N 0 3 357.498 3.488 20 30 FGEDHN CC1CCC(N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)CC1 ZINC000466820380 502694424 /nfs/dbraw/zinc/69/44/24/502694424.db2.gz AJDWKSGLVVLZAX-UHFFFAOYSA-N 0 3 354.498 3.007 20 30 FGEDHN N#Cc1ccc(CCC(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000488698056 502784030 /nfs/dbraw/zinc/78/40/30/502784030.db2.gz FCQOQGDMBSGOPT-UHFFFAOYSA-N 0 3 363.461 3.086 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@](C)(OC)CC1)C(C)C ZINC000474063267 502794556 /nfs/dbraw/zinc/79/45/56/502794556.db2.gz WNHBPWVSUULQCV-AZUAARDMSA-N 0 3 351.535 3.286 20 30 FGEDHN N#Cc1ccc(N2CCC(N3CCCOCC3)CC2)c(C(F)(F)F)c1 ZINC000596269038 506335862 /nfs/dbraw/zinc/33/58/62/506335862.db2.gz RGNFUCGHUZGEKD-UHFFFAOYSA-N 0 3 353.388 3.268 20 30 FGEDHN N#Cc1cccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000504889269 502818927 /nfs/dbraw/zinc/81/89/27/502818927.db2.gz ULGFAIXKSUATAE-LJQANCHMSA-N 0 3 369.415 3.332 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488919321 502838713 /nfs/dbraw/zinc/83/87/13/502838713.db2.gz OYVBHOLCGFDCHM-KRWDZBQOSA-N 0 3 357.498 3.267 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000505040301 502844267 /nfs/dbraw/zinc/84/42/67/502844267.db2.gz HKYMSDBKMROKDO-LJQANCHMSA-N 0 3 357.498 3.286 20 30 FGEDHN C=CCn1cccc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000488964389 502848903 /nfs/dbraw/zinc/84/89/03/502848903.db2.gz ZBKHRVLKAHBQGK-UHFFFAOYSA-N 0 3 353.466 3.079 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2c(cnn2C(C)C)c1)C(C)C ZINC000495917488 502866687 /nfs/dbraw/zinc/86/66/87/502866687.db2.gz NODJKRAGCTUIKV-LJQANCHMSA-N 0 3 369.513 3.441 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000505235111 502874738 /nfs/dbraw/zinc/87/47/38/502874738.db2.gz FORGUMIQXJJXCC-FQEVSTJZSA-N 0 3 351.425 3.193 20 30 FGEDHN CN(C)C1(CNC(=O)c2cc(C#N)ccc2Cl)Cc2ccccc2C1 ZINC000513280920 502895130 /nfs/dbraw/zinc/89/51/30/502895130.db2.gz HNXUBHGVADVUEM-UHFFFAOYSA-N 0 3 353.853 3.041 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000505394080 502897570 /nfs/dbraw/zinc/89/75/70/502897570.db2.gz FFNJGBAAVKOCNP-GOSISDBHSA-N 0 3 357.498 3.410 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(C#N)CC2)N(C)C)cc1 ZINC000513369427 502916764 /nfs/dbraw/zinc/91/67/64/502916764.db2.gz DXWPYWHNTIHMOO-HXUWFJFHSA-N 0 3 356.514 3.433 20 30 FGEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCCCCC1 ZINC000489301234 502923214 /nfs/dbraw/zinc/92/32/14/502923214.db2.gz ZXIDOUDZKIBJRJ-UHFFFAOYSA-N 0 3 350.528 3.448 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](CO)c1ccccc1Cl ZINC000489690122 503012432 /nfs/dbraw/zinc/01/24/32/503012432.db2.gz KJRLKDJHALRWKU-IRXDYDNUSA-N 0 3 356.853 3.305 20 30 FGEDHN C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCC[C@@H](C)C1 ZINC000501489258 503019412 /nfs/dbraw/zinc/01/94/12/503019412.db2.gz FUSAKCWDTHLUBD-SJORKVTESA-N 0 3 374.554 3.211 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000506022949 503030537 /nfs/dbraw/zinc/03/05/37/503030537.db2.gz QAYRFFMDUDVORJ-UHFFFAOYSA-N 0 3 357.845 3.074 20 30 FGEDHN CN(C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)Cc1ccccc1 ZINC000506045232 503035837 /nfs/dbraw/zinc/03/58/37/503035837.db2.gz ANFGPQPFYBQLEB-FQEVSTJZSA-N 0 3 365.452 3.018 20 30 FGEDHN C[C@]1(c2ccccc2)CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000510134935 503056838 /nfs/dbraw/zinc/05/68/38/503056838.db2.gz RJIRTIJJBLXFAG-NRFANRHFSA-N 0 3 352.482 3.086 20 30 FGEDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000506671770 503153809 /nfs/dbraw/zinc/15/38/09/503153809.db2.gz ZEYDZWYRRVAKAG-KRWDZBQOSA-N 0 3 373.497 3.118 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c(OC)c1 ZINC000498353380 503165137 /nfs/dbraw/zinc/16/51/37/503165137.db2.gz LYPWMWVZZWYTGZ-DLBZAZTESA-N 0 3 360.498 3.039 20 30 FGEDHN CN(C)CCN(Cc1cn2cc(Cl)ccc2n1)Cc1ccc(C#N)cc1 ZINC000514692811 503169342 /nfs/dbraw/zinc/16/93/42/503169342.db2.gz FYUVPENZKWUNRR-UHFFFAOYSA-N 0 3 367.884 3.423 20 30 FGEDHN CN(CCCNC(=O)C1CCC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000514697577 503170145 /nfs/dbraw/zinc/17/01/45/503170145.db2.gz QJGGEICXAZCWBL-UHFFFAOYSA-N 0 3 353.388 3.315 20 30 FGEDHN C[C@H](Oc1ccccc1F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498382399 503174431 /nfs/dbraw/zinc/17/44/31/503174431.db2.gz LRUYUKRFLFIBDX-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(F)c1F ZINC000498380487 503174553 /nfs/dbraw/zinc/17/45/53/503174553.db2.gz IQCFKJLJPQLHQM-UHFFFAOYSA-N 0 3 371.431 3.359 20 30 FGEDHN CC1CCN(CCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502320523 503179076 /nfs/dbraw/zinc/17/90/76/503179076.db2.gz UPEDXTASPVTCDP-UHFFFAOYSA-N 0 3 352.482 3.089 20 30 FGEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccc(I)cc2)C1 ZINC000511031354 503237990 /nfs/dbraw/zinc/23/79/90/503237990.db2.gz QKRRHGLHOHETEI-GXTWGEPZSA-N 0 3 370.234 3.342 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@H]2CCCOC2)c1 ZINC000502617175 503239755 /nfs/dbraw/zinc/23/97/55/503239755.db2.gz PBUNIPXNGPMOBJ-FHWLQOOXSA-N 0 3 357.498 3.343 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C)c2cccc(C#N)c2)s1 ZINC000507211515 503251331 /nfs/dbraw/zinc/25/13/31/503251331.db2.gz MRWLMUOSAFBXRF-FRRDWIJNSA-N 0 3 357.483 3.286 20 30 FGEDHN C=CCN(CCc1csc(C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000502693954 503253560 /nfs/dbraw/zinc/25/35/60/503253560.db2.gz NDWCZEINQRTMGT-AWEZNQCLSA-N 0 3 354.483 3.219 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511097146 503254145 /nfs/dbraw/zinc/25/41/45/503254145.db2.gz SUAFMKYTAWCOJX-UHFFFAOYSA-N 0 3 355.394 3.028 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)Cc3ccc(C#N)cc3)c2)CC1 ZINC000502868659 503293668 /nfs/dbraw/zinc/29/36/68/503293668.db2.gz JHGACTQJUQOIPM-UHFFFAOYSA-N 0 3 362.477 3.270 20 30 FGEDHN C=C(C)COCCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511512883 503335151 /nfs/dbraw/zinc/33/51/51/503335151.db2.gz MQKNIJDJMLURCN-IBGZPJMESA-N 0 3 359.514 3.179 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCCn1ccnc1C ZINC000503076403 503342973 /nfs/dbraw/zinc/34/29/73/503342973.db2.gz UGZQPHRREJHSQK-MRXNPFEDSA-N 0 3 360.527 3.178 20 30 FGEDHN CN1CCC(N(C(=O)Cc2c(F)cccc2C#N)c2ccccc2)CC1 ZINC000588879727 506366220 /nfs/dbraw/zinc/36/62/20/506366220.db2.gz JXOGOLFUNXAUEN-UHFFFAOYSA-N 0 3 351.425 3.367 20 30 FGEDHN CCC[C@H](NC(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000507854056 503380208 /nfs/dbraw/zinc/38/02/08/503380208.db2.gz XZRUMDODLYKJSG-SFHVURJKSA-N 0 3 370.497 3.375 20 30 FGEDHN CCC(CC)Nc1ccncc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000515712255 503389210 /nfs/dbraw/zinc/38/92/10/503389210.db2.gz SMLZXFDARKDYQY-AWEZNQCLSA-N 0 3 352.438 3.382 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000515833467 503408698 /nfs/dbraw/zinc/40/86/98/503408698.db2.gz DYCMJNJZQKIKFA-HLAWJBBLSA-N 0 3 353.462 3.309 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCC[C@]2(C)CO)c1 ZINC000493705543 503441360 /nfs/dbraw/zinc/44/13/60/503441360.db2.gz JKTKRTXCHXTRSE-FBBABVLZSA-N 0 3 357.498 3.079 20 30 FGEDHN CC1CCC(N2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)CC1 ZINC000512174911 503476520 /nfs/dbraw/zinc/47/65/20/503476520.db2.gz INCLXPDCWHTBER-UHFFFAOYSA-N 0 3 357.473 3.083 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CSC[C@H]2C)c1C#N ZINC000512217625 503489786 /nfs/dbraw/zinc/48/97/86/503489786.db2.gz GXTKOMRTVGEPMA-SJKOYZFVSA-N 0 3 360.527 3.371 20 30 FGEDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000516654604 503562255 /nfs/dbraw/zinc/56/22/55/503562255.db2.gz OWVFOPQAPCJYSF-RDTXWAMCSA-N 0 3 365.905 3.282 20 30 FGEDHN CCC[C@H](C)[C@@H](CO)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000516654601 503562516 /nfs/dbraw/zinc/56/25/16/503562516.db2.gz OWVFOPQAPCJYSF-KBXCAEBGSA-N 0 3 365.905 3.282 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000494678924 503590549 /nfs/dbraw/zinc/59/05/49/503590549.db2.gz HOZKELSMADLYAV-QGZVFWFLSA-N 0 3 370.497 3.059 20 30 FGEDHN C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512668881 503607839 /nfs/dbraw/zinc/60/78/39/503607839.db2.gz WZIJRBYJNMCFTH-NBCNXNJRSA-N 0 3 367.468 3.231 20 30 FGEDHN C=CCC[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000509023839 503622888 /nfs/dbraw/zinc/62/28/88/503622888.db2.gz YSBRCWJZPCTFMT-OAHLLOKOSA-N 0 3 364.433 3.194 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCc3cc(OC)ccc3C2)CC1 ZINC000517318844 503713858 /nfs/dbraw/zinc/71/38/58/503713858.db2.gz PRQQTXQBCJFVDG-UHFFFAOYSA-N 0 3 357.498 3.194 20 30 FGEDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000517566170 503773425 /nfs/dbraw/zinc/77/34/25/503773425.db2.gz PTZALNBVGDXGLZ-OAHLLOKOSA-N 0 3 367.449 3.277 20 30 FGEDHN CC(C)(C)[C@H](COc1ccccc1F)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000540591904 503826380 /nfs/dbraw/zinc/82/63/80/503826380.db2.gz LJLDCJPAXQCWEH-PXNSSMCTSA-N 0 3 361.461 3.017 20 30 FGEDHN C[C@@H](c1ccc(-c2cccc(F)c2C#N)cc1)N1CCN(CCO)CC1 ZINC000527590073 503844701 /nfs/dbraw/zinc/84/47/01/503844701.db2.gz XROYUFIRRAPYFQ-INIZCTEOSA-N 0 3 353.441 3.035 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NC3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000543739732 503873164 /nfs/dbraw/zinc/87/31/64/503873164.db2.gz FCFSNVBLURRDCJ-QFIPXVFZSA-N 0 3 374.488 3.312 20 30 FGEDHN COc1cccc2ncnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)c21 ZINC000540921669 503940226 /nfs/dbraw/zinc/94/02/26/503940226.db2.gz WJJSVQVHAIXHKR-UHFFFAOYSA-N 0 3 373.460 3.222 20 30 FGEDHN COc1cc(NC(=O)CCN2CCC(CC#N)CC2)c(OC)cc1Cl ZINC000541024287 503979185 /nfs/dbraw/zinc/97/91/85/503979185.db2.gz WDMXJWJUROURLU-UHFFFAOYSA-N 0 3 365.861 3.311 20 30 FGEDHN CC(C#N)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000530577355 504016581 /nfs/dbraw/zinc/01/65/81/504016581.db2.gz XGZHJZKCYGSDHR-HZMBPMFUSA-N 0 3 354.237 3.473 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000518769489 504059335 /nfs/dbraw/zinc/05/93/35/504059335.db2.gz XKSKBFLDLZDCRH-KGLIPLIRSA-N 0 3 360.531 3.205 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000541348813 504100961 /nfs/dbraw/zinc/10/09/61/504100961.db2.gz JKMOMYSWQZMVQV-KRWDZBQOSA-N 0 3 367.415 3.375 20 30 FGEDHN C=CCOc1cccnc1-c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000544571677 504178359 /nfs/dbraw/zinc/17/83/59/504178359.db2.gz SUVGQWQKNYOVBV-UHFFFAOYSA-N 0 3 366.421 3.304 20 30 FGEDHN COc1cccc(C[C@H]2CCCN2C[C@@H](O)COc2ccccc2C#N)c1 ZINC000528351026 504181692 /nfs/dbraw/zinc/18/16/92/504181692.db2.gz GOJMMQSXUDPSJW-WOJBJXKFSA-N 0 3 366.461 3.014 20 30 FGEDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528368364 504192503 /nfs/dbraw/zinc/19/25/03/504192503.db2.gz ONFMPTROJURKFT-HXUWFJFHSA-N 0 3 353.466 3.053 20 30 FGEDHN C=C[C@@H](CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000534689423 504215918 /nfs/dbraw/zinc/21/59/18/504215918.db2.gz AIKWKQMXUIYZTB-NZQKXSOJSA-N 0 3 364.489 3.100 20 30 FGEDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528488070 504244172 /nfs/dbraw/zinc/24/41/72/504244172.db2.gz NIYHUEFLCDYNCT-FPOVZHCZSA-N 0 3 354.425 3.101 20 30 FGEDHN N#Cc1cccc(OCCN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000519563718 504254101 /nfs/dbraw/zinc/25/41/01/504254101.db2.gz UMSUZELBWVIDCZ-ZWKOTPCHSA-N 0 3 354.475 3.438 20 30 FGEDHN COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)ccc1OCCO ZINC000538508639 504267525 /nfs/dbraw/zinc/26/75/25/504267525.db2.gz WGBUUNPCGLEMCQ-KGLIPLIRSA-N 0 3 358.413 3.489 20 30 FGEDHN COCCc1noc(CC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000528621529 504298586 /nfs/dbraw/zinc/29/85/86/504298586.db2.gz USSLCICSEIGFIO-HNNXBMFYSA-N 0 3 354.454 3.146 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000519809800 504348705 /nfs/dbraw/zinc/34/87/05/504348705.db2.gz MDHWVWYOIOPMEY-UHFFFAOYSA-N 0 3 358.467 3.224 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000528962700 504471412 /nfs/dbraw/zinc/47/14/12/504471412.db2.gz ICEGDROPYNNCGK-AWEZNQCLSA-N 0 3 364.396 3.298 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529062022 504517115 /nfs/dbraw/zinc/51/71/15/504517115.db2.gz ATTGCIRHOPNKDX-KRWDZBQOSA-N 0 3 371.485 3.293 20 30 FGEDHN CC(C)CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000520557432 504527919 /nfs/dbraw/zinc/52/79/19/504527919.db2.gz OVJJCJBAMGOENU-INIZCTEOSA-N 0 3 351.516 3.167 20 30 FGEDHN CCC[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000542628562 504558873 /nfs/dbraw/zinc/55/88/73/504558873.db2.gz USRRQSREDUVPKJ-QZTJIDSGSA-N 0 3 374.554 3.112 20 30 FGEDHN C=CCN1CCC(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000535838327 504560228 /nfs/dbraw/zinc/56/02/28/504560228.db2.gz NXDMPEMFUQHACV-UHFFFAOYSA-N 0 3 366.296 3.314 20 30 FGEDHN CSC1c2cc(-c3noc(-c4ccc(C#N)c(C)n4)n3)ccc2NC1=O ZINC000545719666 504573649 /nfs/dbraw/zinc/57/36/49/504573649.db2.gz AKOFWDZZJCHGIO-OAHLLOKOSA-N 0 3 363.402 3.335 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)NCC#Cc1ccccc1 ZINC000520798840 504585605 /nfs/dbraw/zinc/58/56/05/504585605.db2.gz FFOUJTODIUSYLZ-UHFFFAOYSA-N 0 3 363.505 3.244 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc(C)n1 ZINC000542877839 504643184 /nfs/dbraw/zinc/64/31/84/504643184.db2.gz XBXIAKAEUPVKIG-NSHDSACASA-N 0 3 362.292 3.093 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)N2CCC(CC#N)CC2)N2CCCC2)cc1 ZINC000542897699 504650108 /nfs/dbraw/zinc/65/01/08/504650108.db2.gz KCNAWRIBIZWVIK-HXUWFJFHSA-N 0 3 354.498 3.467 20 30 FGEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000532568758 504694935 /nfs/dbraw/zinc/69/49/35/504694935.db2.gz VQBKOYSGBXSFCK-YADHBBJMSA-N 0 3 367.468 3.467 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2cc3c(s2)CCCC3)cc1 ZINC000549151964 504705293 /nfs/dbraw/zinc/70/52/93/504705293.db2.gz HPVSGERWLVAYDD-QGZVFWFLSA-N 0 3 356.491 3.222 20 30 FGEDHN C=CCN(Cc1ccc2[nH]cnc2c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831404 504707853 /nfs/dbraw/zinc/70/78/53/504707853.db2.gz MLRFAOARZTXXJE-OAHLLOKOSA-N 0 3 359.437 3.288 20 30 FGEDHN C=CCN(Cc1ccc2nc[nH]c2c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831404 504707854 /nfs/dbraw/zinc/70/78/54/504707854.db2.gz MLRFAOARZTXXJE-OAHLLOKOSA-N 0 3 359.437 3.288 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000539832942 504708470 /nfs/dbraw/zinc/70/84/70/504708470.db2.gz DSHRVEPRNFWBFL-LJQANCHMSA-N 0 3 355.482 3.204 20 30 FGEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)COC2 ZINC000562351669 504792123 /nfs/dbraw/zinc/79/21/23/504792123.db2.gz VXIDLCHCABTGCB-BTYIYWSLSA-N 0 3 361.445 3.040 20 30 FGEDHN CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000553054502 504815012 /nfs/dbraw/zinc/81/50/12/504815012.db2.gz JVLIVFBOOIHZFA-CTNGQTDRSA-N 0 3 367.449 3.019 20 30 FGEDHN COc1ccc(CCNCc2cnc3ccc(C#N)cn23)c(Cl)c1OC ZINC000549843321 504914652 /nfs/dbraw/zinc/91/46/52/504914652.db2.gz JHYGSUKGYGURSV-UHFFFAOYSA-N 0 3 370.840 3.209 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N[C@H]3C[C@H](C)N(C4CC4)C3)c2c1 ZINC000553448391 504917622 /nfs/dbraw/zinc/91/76/22/504917622.db2.gz YGQXTGSXKJNSRZ-JSGCOSHPSA-N 0 3 352.438 3.161 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000556668389 504934944 /nfs/dbraw/zinc/93/49/44/504934944.db2.gz YYCKHOQSLRNKLJ-UHFFFAOYSA-N 0 3 364.449 3.379 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000565685775 504957472 /nfs/dbraw/zinc/95/74/72/504957472.db2.gz AWAXZBCCPDWJPF-KFKAGJAMSA-N 0 3 361.917 3.264 20 30 FGEDHN Cc1nc(SCC(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c(C#N)c(C)c1C ZINC000553775276 505006251 /nfs/dbraw/zinc/00/62/51/505006251.db2.gz JMHNOMUIMQNQIJ-SJLPKXTDSA-N 0 3 372.538 3.056 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562998071 505015002 /nfs/dbraw/zinc/01/50/02/505015002.db2.gz YVANKLBCYWBHGM-KRWDZBQOSA-N 0 3 374.462 3.146 20 30 FGEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000553914160 505042214 /nfs/dbraw/zinc/04/22/14/505042214.db2.gz MDSGOHNGHPUBSI-UHFFFAOYSA-N 0 3 369.918 3.098 20 30 FGEDHN N#CC(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccncn1 ZINC000554010552 505066980 /nfs/dbraw/zinc/06/69/80/505066980.db2.gz DQSQHLCGCNIVGO-LLVKDONJSA-N 0 3 359.267 3.035 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cnccc2C#N)N(C)C)cc1 ZINC000554081870 505083839 /nfs/dbraw/zinc/08/38/39/505083839.db2.gz PHOSSIFEXKHCDZ-FQEVSTJZSA-N 0 3 350.466 3.184 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000557219502 505095017 /nfs/dbraw/zinc/09/50/17/505095017.db2.gz AWXDVBCYHUIPIK-YPAWHYETSA-N 0 3 374.488 3.355 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000554254665 505126743 /nfs/dbraw/zinc/12/67/43/505126743.db2.gz WXAURSNIQIUMLR-HXUWFJFHSA-N 0 3 365.477 3.325 20 30 FGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000554310137 505141885 /nfs/dbraw/zinc/14/18/85/505141885.db2.gz AMDOZUOALGWSLK-AWEZNQCLSA-N 0 3 356.445 3.247 20 30 FGEDHN C[C@]1(NC(=O)c2ncc(C#N)cc2Cl)CCN(Cc2ccccc2)C1 ZINC000566319823 505143726 /nfs/dbraw/zinc/14/37/26/505143726.db2.gz UXPVBIISPWCWIF-IBGZPJMESA-N 0 3 354.841 3.001 20 30 FGEDHN COCCN1CCC(Nc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000557535534 505160059 /nfs/dbraw/zinc/16/00/59/505160059.db2.gz NONRWBFJLGTCOW-UHFFFAOYSA-N 0 3 372.694 3.497 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000560736512 505172615 /nfs/dbraw/zinc/17/26/15/505172615.db2.gz SLJCCUMJFAIHNT-CTNGQTDRSA-N 0 3 355.526 3.007 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000554428615 505172787 /nfs/dbraw/zinc/17/27/87/505172787.db2.gz UJKGZKCCPSLXJB-QGZVFWFLSA-N 0 3 356.401 3.130 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000563634853 505197853 /nfs/dbraw/zinc/19/78/53/505197853.db2.gz HDOFDVPRVAYFIM-LJQANCHMSA-N 0 3 370.884 3.356 20 30 FGEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1CCCCN1C1CC1 ZINC000557673845 505199679 /nfs/dbraw/zinc/19/96/79/505199679.db2.gz KWXAVVZNEBHSPP-CYBMUJFWSA-N 0 3 360.383 3.374 20 30 FGEDHN COc1ccc([C@H](NC[C@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000557724906 505214509 /nfs/dbraw/zinc/21/45/09/505214509.db2.gz AAWKEXNPBKWRIA-SIKLNZKXSA-N 0 3 366.461 3.242 20 30 FGEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000566593094 505215199 /nfs/dbraw/zinc/21/51/99/505215199.db2.gz XCBYGICWNFSLOG-QZNHQXDQSA-N 0 3 364.489 3.098 20 30 FGEDHN N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CNCCC3(F)F)cc2)c1 ZINC000560980694 505222137 /nfs/dbraw/zinc/22/21/37/505222137.db2.gz AAWDOZDJVKWDPZ-QGZVFWFLSA-N 0 3 372.375 3.469 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)c(C)c2)CC1 ZINC000551547723 505250559 /nfs/dbraw/zinc/25/05/59/505250559.db2.gz XMHARLFTPKIUEA-UHFFFAOYSA-N 0 3 366.440 3.400 20 30 FGEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000563912743 505273938 /nfs/dbraw/zinc/27/39/38/505273938.db2.gz MGHVFICKBDGLEF-QGZVFWFLSA-N 0 3 352.438 3.160 20 30 FGEDHN C=CCc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc(OC)c1OC ZINC000558020503 505288402 /nfs/dbraw/zinc/28/84/02/505288402.db2.gz CDQZCHHPDIILIU-FRQCXROJSA-N 0 3 372.509 3.235 20 30 FGEDHN CS[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@@H]1N(C)C ZINC000566872725 505296939 /nfs/dbraw/zinc/29/69/39/505296939.db2.gz WSRGNCURCJJEHG-QWHCGFSZSA-N 0 3 374.735 3.456 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000558415786 505382829 /nfs/dbraw/zinc/38/28/29/505382829.db2.gz BQPCJDOTKVXNRN-UHFFFAOYSA-N 0 3 352.438 3.339 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1OC ZINC000552147341 505414545 /nfs/dbraw/zinc/41/45/45/505414545.db2.gz YJJWRHJDSIQAFF-LEWJYISDSA-N 0 3 361.482 3.060 20 30 FGEDHN CCN(Cc1ccc(C(=O)NCC(=O)c2ccc(C#N)cc2)cc1)C(C)C ZINC000552291662 505452101 /nfs/dbraw/zinc/45/21/01/505452101.db2.gz CYYXQOYPMLYDDQ-UHFFFAOYSA-N 0 3 363.461 3.401 20 30 FGEDHN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1cc(C(F)(F)F)ccn1 ZINC000558671992 505458634 /nfs/dbraw/zinc/45/86/34/505458634.db2.gz IYZZOPWJBFQPMO-OAHLLOKOSA-N 0 3 373.334 3.483 20 30 FGEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000558672346 505458835 /nfs/dbraw/zinc/45/88/35/505458835.db2.gz SSACQGWKKBLSRL-UHFFFAOYSA-N 0 3 366.513 3.227 20 30 FGEDHN COc1ccc2cc(CNC[C@H](O)COc3ccc(C#N)cc3)ccc2c1 ZINC000555574337 505460782 /nfs/dbraw/zinc/46/07/82/505460782.db2.gz LMXLKCMMDSNZOX-FQEVSTJZSA-N 0 3 362.429 3.250 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCCOc2cccc3ccccc32)cc1 ZINC000558733370 505477453 /nfs/dbraw/zinc/47/74/53/505477453.db2.gz FMRVIZMJENKPLU-IBGZPJMESA-N 0 3 362.429 3.120 20 30 FGEDHN C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(CC)CC1 ZINC000562020688 505493890 /nfs/dbraw/zinc/49/38/90/505493890.db2.gz ZVJFUMLDBCBKDW-UHFFFAOYSA-N 0 3 364.497 3.068 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000567622842 505517045 /nfs/dbraw/zinc/51/70/45/505517045.db2.gz ZTBDLDIHPYJGOH-BEFAXECRSA-N 0 3 351.450 3.265 20 30 FGEDHN COc1ccc(CN2CCCN(c3ncc4c(c3C#N)CCC4)CC2)cc1 ZINC000564877417 505546844 /nfs/dbraw/zinc/54/68/44/505546844.db2.gz MMRRABJEWDOIEZ-UHFFFAOYSA-N 0 3 362.477 3.163 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564962064 505563474 /nfs/dbraw/zinc/56/34/74/505563474.db2.gz AUHOXFOHUNXUBF-PKOBYXMFSA-N 0 3 359.539 3.392 20 30 FGEDHN CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCN(C)C1 ZINC000596451015 506412423 /nfs/dbraw/zinc/41/24/23/506412423.db2.gz WNDVBUIUESYSDQ-INIZCTEOSA-N 0 3 369.494 3.163 20 30 FGEDHN CC(C)Oc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2C#N)cc1 ZINC000599348768 506422001 /nfs/dbraw/zinc/42/20/01/506422001.db2.gz LOMNBOGPRVEIBC-APWZRJJASA-N 0 3 354.450 3.436 20 30 FGEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)COc1ccccc1C#N ZINC000599348387 506422835 /nfs/dbraw/zinc/42/28/35/506422835.db2.gz KAPQWXPBBJEFKY-FUHWJXTLSA-N 0 3 354.450 3.436 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000599353277 506423950 /nfs/dbraw/zinc/42/39/50/506423950.db2.gz HIQJDBHXVMQFRA-DUXKGJEZSA-N 0 3 366.461 3.055 20 30 FGEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)COc1ccccc1C#N ZINC000599395376 506441561 /nfs/dbraw/zinc/44/15/61/506441561.db2.gz HOEIMPADWQRNQT-RBUKOAKNSA-N 0 3 374.868 3.271 20 30 FGEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1OCC(=O)NC ZINC000612119268 506446817 /nfs/dbraw/zinc/44/68/17/506446817.db2.gz XZCUDHYYDMESCH-LJQANCHMSA-N 0 3 351.450 3.118 20 30 FGEDHN CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000599419996 506447412 /nfs/dbraw/zinc/44/74/12/506447412.db2.gz XEMDATARFGQTJF-IEBWSBKVSA-N 0 3 354.450 3.390 20 30 FGEDHN COC(=O)[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccsc1 ZINC000593183882 506447465 /nfs/dbraw/zinc/44/74/65/506447465.db2.gz MQQLQVVNPIZEEE-LJQANCHMSA-N 0 3 369.490 3.088 20 30 FGEDHN CC1(C)C[C@@H](N(Cc2ccccc2)C[C@H](O)CC2(C#N)CCOCC2)CO1 ZINC000599462291 506464481 /nfs/dbraw/zinc/46/44/81/506464481.db2.gz OHDKWFLWIMBASV-WOJBJXKFSA-N 0 3 372.509 3.127 20 30 FGEDHN COCCOCc1cc(C#N)ccc1NC[C@@H](c1cccs1)N(C)C ZINC000603276507 506473758 /nfs/dbraw/zinc/47/37/58/506473758.db2.gz NRJNMAVCCMNWRR-SFHVURJKSA-N 0 3 359.495 3.498 20 30 FGEDHN CC(C)OCCN1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603306199 506480334 /nfs/dbraw/zinc/48/03/34/506480334.db2.gz WPSNSGKDFRLXHS-UHFFFAOYSA-N 0 3 367.291 3.017 20 30 FGEDHN CCOC(=O)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C#N)C3)c2)n1 ZINC000589206657 506485014 /nfs/dbraw/zinc/48/50/14/506485014.db2.gz DWTSASCGTAUOKZ-WBVHZDCISA-N 0 3 352.438 3.221 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C#N)CCc2ccccc2)cc1 ZINC000582922168 506489912 /nfs/dbraw/zinc/48/99/12/506489912.db2.gz NFJTXFINUIZKRS-FPOVZHCZSA-N 0 3 365.477 3.187 20 30 FGEDHN N#Cc1cc(N(C#N)C[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1F ZINC000589266386 506502245 /nfs/dbraw/zinc/50/22/45/506502245.db2.gz ZWMFEXKATXPUQG-FQEVSTJZSA-N 0 3 364.424 3.276 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589786 506517599 /nfs/dbraw/zinc/51/75/99/506517599.db2.gz NUEBXQSIFCCMMG-NVXWUHKLSA-N 0 3 371.481 3.187 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000612303351 506518850 /nfs/dbraw/zinc/51/88/50/506518850.db2.gz AQIFSJCFIUNVLP-FQEVSTJZSA-N 0 3 372.538 3.435 20 30 FGEDHN C/C=C/c1ccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)c(OC)c1 ZINC000583019862 506543907 /nfs/dbraw/zinc/54/39/07/506543907.db2.gz OROJVULJURTMGD-RTLBZRNLSA-N 0 3 352.434 3.129 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCc3cc(C(F)(F)F)ccc3C2)CCOCC1 ZINC000599638214 506545450 /nfs/dbraw/zinc/54/54/50/506545450.db2.gz ZOVPBCUHHOWWFH-KRWDZBQOSA-N 0 3 368.399 3.135 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000612372690 506549661 /nfs/dbraw/zinc/54/96/61/506549661.db2.gz YMQHANGKKUHONA-GOSISDBHSA-N 0 3 364.559 3.073 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000589463081 506557203 /nfs/dbraw/zinc/55/72/03/506557203.db2.gz FESSXQIPLZRESG-SFHVURJKSA-N 0 3 356.857 3.420 20 30 FGEDHN CC(C)[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(=O)N1CCCC1 ZINC000589506592 506572793 /nfs/dbraw/zinc/57/27/93/506572793.db2.gz GWKBUCSHTFAYJO-INIZCTEOSA-N 0 3 353.388 3.314 20 30 FGEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000583070430 506574522 /nfs/dbraw/zinc/57/45/22/506574522.db2.gz JRWMFSXNRVLMMQ-IGAOKBAMSA-N 0 3 369.509 3.208 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000603642735 506586192 /nfs/dbraw/zinc/58/61/92/506586192.db2.gz SNFRDELXTQRZMZ-OAQYLSRUSA-N 0 3 350.462 3.253 20 30 FGEDHN Cc1cc(NC(=O)NCC2(C#N)CCCCC2)n(C2CCN(C)CC2)n1 ZINC000596781813 506595087 /nfs/dbraw/zinc/59/50/87/506595087.db2.gz FEWIYCOFAPBEHV-UHFFFAOYSA-N 0 3 358.490 3.054 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000589634094 506613305 /nfs/dbraw/zinc/61/33/05/506613305.db2.gz CNCOYYHTFCNWPS-APWZRJJASA-N 0 3 368.477 3.268 20 30 FGEDHN CCCCCc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000596828496 506621698 /nfs/dbraw/zinc/62/16/98/506621698.db2.gz KZEHVITUUQPEIJ-UHFFFAOYSA-N 0 3 367.497 3.218 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC000603840321 506631072 /nfs/dbraw/zinc/63/10/72/506631072.db2.gz FUWWSNRGPCIIQL-NRFANRHFSA-N 0 3 368.452 3.392 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000583199839 506646474 /nfs/dbraw/zinc/64/64/74/506646474.db2.gz KMTPGMAMWDYTDV-XLIONFOSSA-N 0 3 370.424 3.135 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3cccc(F)c3C#N)CC2)cc1 ZINC000589820154 506653446 /nfs/dbraw/zinc/65/34/46/506653446.db2.gz AYSUVGUGBMYZRN-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN CSC1(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCN(C)CC1 ZINC000589962006 506690741 /nfs/dbraw/zinc/69/07/41/506690741.db2.gz SNFXIMWXNOUNHQ-UHFFFAOYSA-N 0 3 372.321 3.422 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000596973912 506706148 /nfs/dbraw/zinc/70/61/48/506706148.db2.gz MQNASOSHWNJWPI-OAQYLSRUSA-N 0 3 365.452 3.318 20 30 FGEDHN COc1ccc(C[C@@H](C)CN2CCN(c3cnccc3C#N)CC2)cc1F ZINC000590053278 506717928 /nfs/dbraw/zinc/71/79/28/506717928.db2.gz NKUOTJACRHSRFN-MRXNPFEDSA-N 0 3 368.456 3.102 20 30 FGEDHN Cc1cc(CN(CC(C)(C)CCC#N)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593670015 506721368 /nfs/dbraw/zinc/72/13/68/506721368.db2.gz FQYFSHXCEOUSGK-UHFFFAOYSA-N 0 3 363.527 3.245 20 30 FGEDHN C[C@@H](CO)C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000593676955 506725813 /nfs/dbraw/zinc/72/58/13/506725813.db2.gz RAFQPCFEYPPGCP-KRWDZBQOSA-N 0 3 352.482 3.304 20 30 FGEDHN CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)C(C#N)CCc1ccccc1 ZINC000600051394 506758054 /nfs/dbraw/zinc/75/80/54/506758054.db2.gz ULHULAWBWPNFRK-AWEZNQCLSA-N 0 3 354.410 3.076 20 30 FGEDHN N#CC1(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CCCC1 ZINC000593774981 506770721 /nfs/dbraw/zinc/77/07/21/506770721.db2.gz IHDHDRLSAQCMDU-KRWDZBQOSA-N 0 3 361.436 3.344 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc3ccccc3n2CC#N)o1 ZINC000609168327 506801754 /nfs/dbraw/zinc/80/17/54/506801754.db2.gz DAHRZWREWMRJRN-UHFFFAOYSA-N 0 3 364.449 3.270 20 30 FGEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1 ZINC000590444341 506824835 /nfs/dbraw/zinc/82/48/35/506824835.db2.gz KTGAWPAQMQMFTG-UYAOXDASSA-N 0 3 361.445 3.435 20 30 FGEDHN CN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000583533386 506831350 /nfs/dbraw/zinc/83/13/50/506831350.db2.gz QSBFBGVWSAWQRL-HXUWFJFHSA-N 0 3 372.476 3.064 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000604501271 506853189 /nfs/dbraw/zinc/85/31/89/506853189.db2.gz WRJIXPWJJSOYGX-NRFANRHFSA-N 0 3 361.445 3.029 20 30 FGEDHN N#CCCCCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000593997290 506873319 /nfs/dbraw/zinc/87/33/19/506873319.db2.gz ZKXZBTXVOMXIDI-SFHVURJKSA-N 0 3 351.454 3.353 20 30 FGEDHN C[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Sc1ccccc1 ZINC000583626184 506884430 /nfs/dbraw/zinc/88/44/30/506884430.db2.gz IAEZMZCRSDZKFY-OAHLLOKOSA-N 0 3 360.504 3.102 20 30 FGEDHN N#Cc1ccc(C2(NCCCS(=O)(=O)c3ccccc3)CCC2)cc1 ZINC000594031554 506896750 /nfs/dbraw/zinc/89/67/50/506896750.db2.gz IDIFEGJHNAJGMY-UHFFFAOYSA-N 0 3 354.475 3.391 20 30 FGEDHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000609589602 506933902 /nfs/dbraw/zinc/93/39/02/506933902.db2.gz SSIBJYWKNHGQJD-IEBWSBKVSA-N 0 3 368.868 3.328 20 30 FGEDHN CC[C@H](C#N)N(C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000594093726 506936012 /nfs/dbraw/zinc/93/60/12/506936012.db2.gz FALWRQGHRRPGLQ-WBVHZDCISA-N 0 3 353.388 3.202 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C[C@@H]1C ZINC000597427656 506950105 /nfs/dbraw/zinc/95/01/05/506950105.db2.gz WXVKHZCCYIRDCG-HOTGVXAUSA-N 0 3 364.497 3.146 20 30 FGEDHN N#CC1(CC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)CCCCC1 ZINC000597453793 506960819 /nfs/dbraw/zinc/96/08/19/506960819.db2.gz GQGQBQRXNLEFDY-UHFFFAOYSA-N 0 3 355.482 3.446 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCSC[C@H]2C2CC2)sc2c1CCC2 ZINC000583798741 506980549 /nfs/dbraw/zinc/98/05/49/506980549.db2.gz DRODXAPXRCJJCV-HNNXBMFYSA-N 0 3 361.536 3.264 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594202874 507005523 /nfs/dbraw/zinc/00/55/23/507005523.db2.gz UGYFVXJYUJOIPC-GGPKGHCWSA-N 0 3 355.482 3.095 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C2 ZINC000594203075 507005774 /nfs/dbraw/zinc/00/57/74/507005774.db2.gz FYAQXAXXQSWYSK-OAQYLSRUSA-N 0 3 360.461 3.421 20 30 FGEDHN C[C@@](CO)(NCCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000609799738 507005937 /nfs/dbraw/zinc/00/59/37/507005937.db2.gz GEYQGPGRUXYNNH-SFHVURJKSA-N 0 3 364.367 3.453 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)N2Cc3ccc(C#N)cc3C2)N(C)C)cc1 ZINC000594217321 507017700 /nfs/dbraw/zinc/01/77/00/507017700.db2.gz UPPCQFSOMRRCSL-OAQYLSRUSA-N 0 3 362.477 3.449 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000597660748 507050431 /nfs/dbraw/zinc/05/04/31/507050431.db2.gz NCVWKWRSLUXEHS-FQEVSTJZSA-N 0 3 371.525 3.314 20 30 FGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccccc1I ZINC000609921560 507052460 /nfs/dbraw/zinc/05/24/60/507052460.db2.gz MOBISJIBZXINAR-MFKMUULPSA-N 0 3 354.191 3.114 20 30 FGEDHN N#CCCCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000594300166 507071363 /nfs/dbraw/zinc/07/13/63/507071363.db2.gz FGOYMBDMIXNWMF-UHFFFAOYSA-N 0 3 363.889 3.383 20 30 FGEDHN CC(C)(C)OC(=O)C1CCC(O)(CNCC2(C#N)CCCCC2)CC1 ZINC000600754091 507100647 /nfs/dbraw/zinc/10/06/47/507100647.db2.gz LSOKJFPVLUACPB-UHFFFAOYSA-N 0 3 350.503 3.313 20 30 FGEDHN N#Cc1c(F)cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1F ZINC000597793106 507105057 /nfs/dbraw/zinc/10/50/57/507105057.db2.gz RJJBJTBRTCYANU-MGPUTAFESA-N 0 3 367.399 3.183 20 30 FGEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000610134163 507111520 /nfs/dbraw/zinc/11/15/20/507111520.db2.gz RQXVYLXIEZUZLT-OALUTQOASA-N 0 3 357.498 3.090 20 30 FGEDHN COc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)c2ccccc2)cc1 ZINC000594425570 507125759 /nfs/dbraw/zinc/12/57/59/507125759.db2.gz KWVFXOVCXCEJDD-UXHICEINSA-N 0 3 351.450 3.312 20 30 FGEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594425532 507126276 /nfs/dbraw/zinc/12/62/76/507126276.db2.gz ADNSDJWGRWUHHC-CQSZACIVSA-N 0 3 352.276 3.212 20 30 FGEDHN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594427845 507126969 /nfs/dbraw/zinc/12/69/69/507126969.db2.gz KEVUUSAWLWQYHX-LBPRGKRZSA-N 0 3 356.348 3.014 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000594425946 507127706 /nfs/dbraw/zinc/12/77/06/507127706.db2.gz BQCYRUJFCKMUMC-OAHLLOKOSA-N 0 3 356.451 3.350 20 30 FGEDHN COc1ccc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)cc1OC ZINC000594427167 507127800 /nfs/dbraw/zinc/12/78/00/507127800.db2.gz TVPGFZWHWSPWBE-CYBMUJFWSA-N 0 3 374.466 3.177 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000594429583 507128127 /nfs/dbraw/zinc/12/81/27/507128127.db2.gz ULRJWOLTBTUMOO-CXAGYDPISA-N 0 3 351.853 3.424 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000594429851 507129283 /nfs/dbraw/zinc/12/92/83/507129283.db2.gz XFAGBYJTZNORCQ-HXUWFJFHSA-N 0 3 351.450 3.293 20 30 FGEDHN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594431928 507129409 /nfs/dbraw/zinc/12/94/09/507129409.db2.gz SROQJNLIUPSSHI-QAPCUYQASA-N 0 3 370.497 3.217 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000594432154 507129682 /nfs/dbraw/zinc/12/96/82/507129682.db2.gz YVVUPQWEYWTVFN-AWEZNQCLSA-N 0 3 365.359 3.241 20 30 FGEDHN COc1ccc(-c2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)cc1 ZINC000594433985 507130804 /nfs/dbraw/zinc/13/08/04/507130804.db2.gz VWSDJIPOIBUBJM-FQEVSTJZSA-N 0 3 351.450 3.390 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000594436603 507133241 /nfs/dbraw/zinc/13/32/41/507133241.db2.gz OEZGMUXLWRCFEP-HXUWFJFHSA-N 0 3 350.466 3.064 20 30 FGEDHN CC[C@@H](Cc1ccccc1Br)NC(=O)[C@H](N)CCCCC#N ZINC000594446037 507137129 /nfs/dbraw/zinc/13/71/29/507137129.db2.gz OYJMMPNZCKMDSS-GOEBONIOSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000594444911 507137615 /nfs/dbraw/zinc/13/76/15/507137615.db2.gz FMVMLKXCQONMSR-NWDGAFQWSA-N 0 3 374.432 3.279 20 30 FGEDHN CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000594484798 507150189 /nfs/dbraw/zinc/15/01/89/507150189.db2.gz MKVSNIYAUOMPAP-UHFFFAOYSA-N 0 3 352.486 3.147 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594516542 507166581 /nfs/dbraw/zinc/16/65/81/507166581.db2.gz SAUOBTLKWGSJAP-HNNXBMFYSA-N 0 3 369.490 3.196 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1C ZINC000610319446 507191500 /nfs/dbraw/zinc/19/15/00/507191500.db2.gz AJBPUVGKNBSYNR-GOEBONIOSA-N 0 3 365.437 3.350 20 30 FGEDHN CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCN(C)C1 ZINC000597946917 507194002 /nfs/dbraw/zinc/19/40/02/507194002.db2.gz SJXTWCOFYIBGDL-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000584234748 507228923 /nfs/dbraw/zinc/22/89/23/507228923.db2.gz RKUXEEMVZYFRQM-LJQANCHMSA-N 0 3 350.422 3.173 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1O2 ZINC000610519978 507274818 /nfs/dbraw/zinc/27/48/18/507274818.db2.gz DJCDNQQMDOIZTR-INIZCTEOSA-N 0 3 367.474 3.338 20 30 FGEDHN C=CC[C@@H](CO)CNCc1cc(Cl)ccc1I ZINC000594934199 507319589 /nfs/dbraw/zinc/31/95/89/507319589.db2.gz FWCVIDUDCIJUCA-SNVBAGLBSA-N 0 3 365.642 3.219 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccnc(N3CCSCC3)c1)CC2 ZINC000601302653 507328975 /nfs/dbraw/zinc/32/89/75/507328975.db2.gz URGATABCKVBUNO-IBGZPJMESA-N 0 3 350.491 3.284 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)C1CC1 ZINC000614016871 507335407 /nfs/dbraw/zinc/33/54/07/507335407.db2.gz YDTAHNKTVJPUNQ-TZIWHRDSSA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@]1(c2ccccc2)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610676948 507342778 /nfs/dbraw/zinc/34/27/78/507342778.db2.gz HIMSFIFLPWSDLB-IRLDBZIGSA-N 0 3 350.462 3.156 20 30 FGEDHN CN1CCN(Cc2ccccc2)[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594996785 507346769 /nfs/dbraw/zinc/34/67/69/507346769.db2.gz ZPBPTTCLFRHXOW-QHCPKHFHSA-N 0 3 374.532 3.148 20 30 FGEDHN CC(C)N(C)c1ccccc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000591762520 507351384 /nfs/dbraw/zinc/35/13/84/507351384.db2.gz GGVKVQMLICWCRT-FQEVSTJZSA-N 0 3 367.493 3.127 20 30 FGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N1CCOCC1 ZINC000591885762 507397247 /nfs/dbraw/zinc/39/72/47/507397247.db2.gz KUAZKPIKFLTGAV-KKSFZXQISA-N 0 3 353.441 3.249 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2ccccc2C(F)(F)F)s1 ZINC000584586196 507426953 /nfs/dbraw/zinc/42/69/53/507426953.db2.gz OIQMTYHHWZNYSG-NSHDSACASA-N 0 3 356.369 3.168 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000595259286 507442595 /nfs/dbraw/zinc/44/25/95/507442595.db2.gz JGUAXTUNVKCINX-JKSUJKDBSA-N 0 3 364.287 3.354 20 30 FGEDHN C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000601849990 507486787 /nfs/dbraw/zinc/48/67/87/507486787.db2.gz AXUDRAVJTIMWAW-RXVVDRJESA-N 0 3 354.425 3.008 20 30 FGEDHN CC(C)[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CCN1 ZINC000598574800 507497302 /nfs/dbraw/zinc/49/73/02/507497302.db2.gz UPAKVYFIMYIEKQ-NRFANRHFSA-N 0 3 363.461 3.207 20 30 FGEDHN C/C=C\c1ccc(OC[C@@H](O)CN2CCC(CCC#N)CC2)c(OC)c1 ZINC000592135787 507500745 /nfs/dbraw/zinc/50/07/45/507500745.db2.gz PWDCPLXCUUFLSR-UABKOXTMSA-N 0 3 358.482 3.484 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCc4c3c(F)ccc4F)CC2)nc1 ZINC000611080336 507506212 /nfs/dbraw/zinc/50/62/12/507506212.db2.gz SSXLSBDHZRVLMJ-GOSISDBHSA-N 0 3 354.404 3.477 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C[C@@H](O)CC(C)(C)C#N ZINC000598609086 507516208 /nfs/dbraw/zinc/51/62/08/507516208.db2.gz QDEYKCKDCCDSHF-QZWWFDLISA-N 0 3 350.503 3.262 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000601967572 507532988 /nfs/dbraw/zinc/53/29/88/507532988.db2.gz KMFZSKGAEHPBGT-SXLOBPIMSA-N 0 3 372.852 3.071 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CNC2(CCO)CCCC2)ccc1Cl ZINC000595507906 507536007 /nfs/dbraw/zinc/53/60/07/507536007.db2.gz DHPAPHVQVJKFIH-UHFFFAOYSA-N 0 3 363.889 3.180 20 30 FGEDHN N#Cc1ccc(CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000595506862 507536266 /nfs/dbraw/zinc/53/62/66/507536266.db2.gz OACMGCFQCKZTQR-OAQYLSRUSA-N 0 3 362.477 3.065 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCCN1Cc1ccccc1 ZINC000614493383 507541297 /nfs/dbraw/zinc/54/12/97/507541297.db2.gz ACHYOHXZXMFAKY-LEWJYISDSA-N 0 3 354.498 3.376 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000598667523 507543433 /nfs/dbraw/zinc/54/34/33/507543433.db2.gz DPRXIZWKROZEKN-CYBMUJFWSA-N 0 3 374.229 3.068 20 30 FGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000598678556 507549712 /nfs/dbraw/zinc/54/97/12/507549712.db2.gz YVNHQGGXTVMFCA-FXAWDEMLSA-N 0 3 363.461 3.390 20 30 FGEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c(Cl)c1 ZINC000598818149 507619081 /nfs/dbraw/zinc/61/90/81/507619081.db2.gz HUCUIUXHZMTDQX-GHMZBOCLSA-N 0 3 362.735 3.134 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000595685902 507627965 /nfs/dbraw/zinc/62/79/65/507627965.db2.gz KDEJMZOGYGAAIY-LAUBAEHRSA-N 0 3 362.477 3.063 20 30 FGEDHN Cc1ccccc1CN1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000586119859 507650392 /nfs/dbraw/zinc/65/03/92/507650392.db2.gz BRJBAHKAVWPVCK-UHFFFAOYSA-N 0 3 351.425 3.354 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCNc1nccc(C(F)(F)F)n1 ZINC000611393629 507658557 /nfs/dbraw/zinc/65/85/57/507658557.db2.gz YIDHDRJIQLHUEJ-HNNXBMFYSA-N 0 3 361.371 3.446 20 30 FGEDHN CN1CC=C(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000611430692 507680220 /nfs/dbraw/zinc/68/02/20/507680220.db2.gz CQAFDXHTWVOSAN-UHFFFAOYSA-N 0 3 363.421 3.129 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000602490311 507725616 /nfs/dbraw/zinc/72/56/16/507725616.db2.gz QUCDWJDFXHHNAI-GOSISDBHSA-N 0 3 371.525 3.402 20 30 FGEDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196558 599308862 /nfs/dbraw/zinc/30/88/62/599308862.db2.gz JPMXAZKGIYEZFP-MRXNPFEDSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196558 599308865 /nfs/dbraw/zinc/30/88/65/599308865.db2.gz JPMXAZKGIYEZFP-MRXNPFEDSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196558 599308868 /nfs/dbraw/zinc/30/88/68/599308868.db2.gz JPMXAZKGIYEZFP-MRXNPFEDSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196558 599308871 /nfs/dbraw/zinc/30/88/71/599308871.db2.gz JPMXAZKGIYEZFP-MRXNPFEDSA-N 0 3 373.464 3.012 20 30 FGEDHN N#Cc1ccc([C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106387 600597150 /nfs/dbraw/zinc/59/71/50/600597150.db2.gz LZTJHKMELIVOMI-FPOVZHCZSA-N 0 3 363.461 3.186 20 30 FGEDHN N#Cc1ccc([C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106387 600597153 /nfs/dbraw/zinc/59/71/53/600597153.db2.gz LZTJHKMELIVOMI-FPOVZHCZSA-N 0 3 363.461 3.186 20 30 FGEDHN CC(C)(CCC#N)C[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824152976 608679951 /nfs/dbraw/zinc/67/99/51/608679951.db2.gz WKHXDRJXDRPJDQ-UHFFFAOYSA-N 0 3 354.458 3.040 20 30 FGEDHN CCCCCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825271891 609335421 /nfs/dbraw/zinc/33/54/21/609335421.db2.gz PJUCSXNMAYWDOA-UHFFFAOYSA-N 0 3 353.474 3.327 20 30 FGEDHN CCCCCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825271891 609335423 /nfs/dbraw/zinc/33/54/23/609335423.db2.gz PJUCSXNMAYWDOA-UHFFFAOYSA-N 0 3 353.474 3.327 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000069244296 695948452 /nfs/dbraw/zinc/94/84/52/695948452.db2.gz MKCMIGROKZJWDQ-OAHLLOKOSA-N 0 3 352.276 3.031 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@@H]1CCCCO1 ZINC000120007839 700645574 /nfs/dbraw/zinc/64/55/74/700645574.db2.gz IFJOKIZDMZQAOE-QWHCGFSZSA-N 0 3 364.829 3.264 20 30 FGEDHN N#CC(C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)NC1CC1 ZINC000120053593 700646794 /nfs/dbraw/zinc/64/67/94/700646794.db2.gz JCZLCXUUSKWPET-VIFPVBQESA-N 0 3 359.234 3.005 20 30 FGEDHN N#CC(C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)NC1CC1 ZINC000120053423 700646966 /nfs/dbraw/zinc/64/69/66/700646966.db2.gz JCZLCXUUSKWPET-SECBINFHSA-N 0 3 359.234 3.005 20 30 FGEDHN C=CCN(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)s1 ZINC000120897852 700661977 /nfs/dbraw/zinc/66/19/77/700661977.db2.gz LCFVFNPERAFDFL-UHFFFAOYSA-N 0 3 370.927 3.280 20 30 FGEDHN CCc1nc(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000121348966 700670510 /nfs/dbraw/zinc/67/05/10/700670510.db2.gz VHBZMGYARWUICG-NSHDSACASA-N 0 3 365.817 3.388 20 30 FGEDHN N#CC(C(=O)Cc1csc(-c2ccoc2)n1)C(=O)Nc1ccccc1 ZINC000121693084 700678032 /nfs/dbraw/zinc/67/80/32/700678032.db2.gz ZRVZGXGKYHPSJM-OAHLLOKOSA-N 0 3 351.387 3.293 20 30 FGEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000152271992 704957072 /nfs/dbraw/zinc/95/70/72/704957072.db2.gz HPLXISJDIRMMKM-ZWNOBZJWSA-N 0 3 356.394 3.464 20 30 FGEDHN CCCCCCCCCCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155902950 705094381 /nfs/dbraw/zinc/09/43/81/705094381.db2.gz HEXQXEGRYGFHFY-UHFFFAOYSA-N 0 3 358.592 3.322 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CSCC(F)(F)F ZINC000156076235 705100080 /nfs/dbraw/zinc/10/00/80/705100080.db2.gz DSDLPRXOBIMSMO-SNVBAGLBSA-N 0 3 360.357 3.028 20 30 FGEDHN C#CCCCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000156628931 705125721 /nfs/dbraw/zinc/12/57/21/705125721.db2.gz ATXFZMJIBLGXQT-GOSISDBHSA-N 0 3 352.400 3.361 20 30 FGEDHN CCCC[C@@H](NC(=O)NCC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000157866755 705166469 /nfs/dbraw/zinc/16/64/69/705166469.db2.gz NNIZNBKBHCIQIS-CHWSQXEVSA-N 0 3 350.488 3.321 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cc(Cl)ccc1Br ZINC000176020562 705568212 /nfs/dbraw/zinc/56/82/12/705568212.db2.gz GEZLALLWHNYFRH-GFCCVEGCSA-N 0 3 371.662 3.269 20 30 FGEDHN C=C(Br)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000195180868 713547953 /nfs/dbraw/zinc/54/79/53/713547953.db2.gz LUBNTCGZLGFQLU-HNNXBMFYSA-N 0 3 352.276 3.031 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000621247472 714974053 /nfs/dbraw/zinc/97/40/53/714974053.db2.gz VUWHKULTAUHKAH-HNNXBMFYSA-N 0 3 350.409 3.160 20 30 FGEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626039755 715833678 /nfs/dbraw/zinc/83/36/78/715833678.db2.gz NIRDOMWNUWKIHR-IPYPFGDCSA-N 0 3 351.288 3.318 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646920812 718321955 /nfs/dbraw/zinc/32/19/55/718321955.db2.gz VKDAABHGSULFBT-IUODEOHRSA-N 0 3 354.372 3.046 20 30 FGEDHN C=CCCOCC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000654320175 719186668 /nfs/dbraw/zinc/18/66/68/719186668.db2.gz AGHPWFCUWBXYJO-UHFFFAOYSA-N 0 3 352.862 3.344 20 30 FGEDHN N#Cc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc2ccccc12 ZINC001164732497 720436061 /nfs/dbraw/zinc/43/60/61/720436061.db2.gz NUSHVOYBCVYNNK-NHCUHLMSSA-N 0 3 355.445 3.355 20 30 FGEDHN C=CCOC[C@H]1CCC[C@@]12CN(c1ccc(CN(C)C3CC3)cn1)CCO2 ZINC001164981013 722169510 /nfs/dbraw/zinc/16/95/10/722169510.db2.gz ZWEUQWLILLEGJJ-DENIHFKCSA-N 0 3 371.525 3.254 20 30 FGEDHN CC(C)C(=O)N1CCC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417135 722468259 /nfs/dbraw/zinc/46/82/59/722468259.db2.gz LCCAIEHJMAGAJW-OCCSQVGLSA-N 0 3 359.426 3.259 20 30 FGEDHN CN1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740482926 722536319 /nfs/dbraw/zinc/53/63/19/722536319.db2.gz IXMFPKSUZGAHAL-UHFFFAOYSA-N 0 3 354.479 3.134 20 30 FGEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000744028595 722572956 /nfs/dbraw/zinc/57/29/56/722572956.db2.gz KVBXBMMTISCBPX-CYBMUJFWSA-N 0 3 364.829 3.287 20 30 FGEDHN C#CCN1CCC(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000744099220 722573426 /nfs/dbraw/zinc/57/34/26/722573426.db2.gz CMKCWHZXBXXVJA-UHFFFAOYSA-N 0 3 351.277 3.444 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1Cl ZINC000754081987 722926445 /nfs/dbraw/zinc/92/64/45/722926445.db2.gz QQLPVTNIJJBQOY-IEBWSBKVSA-N 0 3 361.869 3.479 20 30 FGEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000762040238 723209765 /nfs/dbraw/zinc/20/97/65/723209765.db2.gz PAWUSOSTPCCHPV-IONNQARKSA-N 0 3 371.340 3.236 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000764762846 723443424 /nfs/dbraw/zinc/44/34/24/723443424.db2.gz UOBMBKSJRKHHSY-OGHNNQOOSA-N 0 3 366.389 3.075 20 30 FGEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H](O)c1c(F)cccc1Cl ZINC000793584114 723451486 /nfs/dbraw/zinc/45/14/86/723451486.db2.gz LLHCHHNHZYZOPJ-ADLMAVQZSA-N 0 3 358.804 3.210 20 30 FGEDHN C#C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc(Cl)cc1 ZINC000794070246 723487714 /nfs/dbraw/zinc/48/77/14/723487714.db2.gz MQSONFJIDAQIIJ-SFHVURJKSA-N 0 3 360.885 3.166 20 30 FGEDHN C[C@@H]1CCSCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000794570022 723532001 /nfs/dbraw/zinc/53/20/01/723532001.db2.gz COFMARPZUDPRJM-UKRRQHHQSA-N 0 3 352.463 3.051 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000796739748 723652721 /nfs/dbraw/zinc/65/27/21/723652721.db2.gz FFBOUDPJIYRLGN-JOQOYGCGSA-N 0 3 362.495 3.403 20 30 FGEDHN N#CC(C(=O)Cc1ccco1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000772643518 723764670 /nfs/dbraw/zinc/76/46/70/723764670.db2.gz AZUFWZIXYRCTPX-ZDUSSCGKSA-N 0 3 350.346 3.484 20 30 FGEDHN COCC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000773722012 723816969 /nfs/dbraw/zinc/81/69/69/723816969.db2.gz SOZHOELSJAHPLT-AWEZNQCLSA-N 0 3 357.479 3.221 20 30 FGEDHN N#CC(C(=O)CCCC1CCOCC1)C(=O)NCc1cccc(Cl)c1 ZINC000798858405 723969545 /nfs/dbraw/zinc/96/95/45/723969545.db2.gz NKWKCDMAIIMVSP-KRWDZBQOSA-N 0 3 362.857 3.262 20 30 FGEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2cc(Cl)nc(N)n2)ccc1[O-] ZINC000778543006 724342447 /nfs/dbraw/zinc/34/24/47/724342447.db2.gz GJNGPVUQYOSGIE-UHFFFAOYSA-N 0 3 362.865 3.096 20 30 FGEDHN CON=Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000802377650 724379945 /nfs/dbraw/zinc/37/99/45/724379945.db2.gz MYJOXZBOWXPJSR-SFHVURJKSA-N 0 3 359.857 3.353 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCCOCC1 ZINC000786302800 724972222 /nfs/dbraw/zinc/97/22/22/724972222.db2.gz CFNWUDPQHFCNAF-BXUZGUMPSA-N 0 3 368.405 3.465 20 30 FGEDHN CC[C@H](NC(=O)C(C#N)C(=O)Cc1nc(C)sc1C)c1ccccc1 ZINC000786511003 724985036 /nfs/dbraw/zinc/98/50/36/724985036.db2.gz IQJSGBMSLAQOFD-CVEARBPZSA-N 0 3 355.463 3.279 20 30 FGEDHN COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1S(=O)(=O)C(F)F ZINC000818357212 727309201 /nfs/dbraw/zinc/30/92/01/727309201.db2.gz WRCLGQQCXVZBRR-NTZNESFSSA-N 0 3 358.410 3.034 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000818595619 727315664 /nfs/dbraw/zinc/31/56/64/727315664.db2.gz FFNWLLYGFLEQFL-MRXNPFEDSA-N 0 3 354.416 3.345 20 30 FGEDHN C#CCN(C)CCCNC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000818595567 727315685 /nfs/dbraw/zinc/31/56/85/727315685.db2.gz ATXGTMVIKFTDMS-ZDUSSCGKSA-N 0 3 369.278 3.153 20 30 FGEDHN C#C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1ccc(F)cc1 ZINC000820491060 728998596 /nfs/dbraw/zinc/99/85/96/728998596.db2.gz SFRIKIPQCSUJDX-GOSISDBHSA-N 0 3 359.470 3.335 20 30 FGEDHN O=C(C#Cc1cccs1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000831490198 729646009 /nfs/dbraw/zinc/64/60/09/729646009.db2.gz PIDPIPIJEZLDGC-UHFFFAOYSA-N 0 3 356.413 3.021 20 30 FGEDHN C[C@H]1CN(CCCOc2ccc(C#N)cc2)CCN(CC(F)(F)F)C1 ZINC000832278613 729701890 /nfs/dbraw/zinc/70/18/90/729701890.db2.gz TUONJAZNJRSPJY-HNNXBMFYSA-N 0 3 355.404 3.143 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSC(F)F ZINC000835063174 729854652 /nfs/dbraw/zinc/85/46/52/729854652.db2.gz HZTVFPHTZVSNGA-QMMMGPOBSA-N 0 3 362.785 3.260 20 30 FGEDHN Cc1cnc(CCCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000835064051 729854669 /nfs/dbraw/zinc/85/46/69/729854669.db2.gz ANEPIQDVBVVPPS-LBPRGKRZSA-N 0 3 363.776 3.446 20 30 FGEDHN CN(Cc1ccc(-c2cnn(C)c2)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006651 730917666 /nfs/dbraw/zinc/91/76/66/730917666.db2.gz KGVJMINMNZANQL-GOSISDBHSA-N 0 3 352.463 3.186 20 30 FGEDHN CO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)c1ccccc1Br ZINC000847622135 731071390 /nfs/dbraw/zinc/07/13/90/731071390.db2.gz BRKKKHVEWHPKMR-CXAGYDPISA-N 0 3 374.238 3.420 20 30 FGEDHN N#CC(C(=O)C[C@H]1OCc2cc(Cl)ccc21)C(=O)NC1CCCCC1 ZINC000847624894 731071653 /nfs/dbraw/zinc/07/16/53/731071653.db2.gz YGQZADLROOFPFF-SJLPKXTDSA-N 0 3 360.841 3.459 20 30 FGEDHN N#CC1(COC(=O)Cc2cncs2)CCN(Cc2ccccc2)CC1 ZINC000847747912 731086535 /nfs/dbraw/zinc/08/65/35/731086535.db2.gz SISUEYFXWLOQRD-UHFFFAOYSA-N 0 3 355.463 3.035 20 30 FGEDHN CC(C)(CCN=C(Nc1ccccc1)N1CCCCC1)S(C)(=O)=O ZINC000849117652 731231297 /nfs/dbraw/zinc/23/12/97/731231297.db2.gz OTQWEVMBCOWMLJ-UHFFFAOYSA-N 0 3 351.516 3.154 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1occc1C ZINC000850760273 731385889 /nfs/dbraw/zinc/38/58/89/731385889.db2.gz RETJSQNPOFTBKW-GFCCVEGCSA-N 0 3 360.797 3.449 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000850761699 731386073 /nfs/dbraw/zinc/38/60/73/731386073.db2.gz QJIOZQYIKSBXFW-GWCFXTLKSA-N 0 3 355.221 3.317 20 30 FGEDHN N#Cc1cccc(C2(NCc3cccc4nsnc43)CCOCC2)c1 ZINC000852566872 731601914 /nfs/dbraw/zinc/60/19/14/731601914.db2.gz XHMQCYDYMFKTCK-UHFFFAOYSA-N 0 3 350.447 3.358 20 30 FGEDHN C#CC[C@@H](COC)NCc1cn(-c2ccccc2Br)nc1C ZINC000858335483 732204785 /nfs/dbraw/zinc/20/47/85/732204785.db2.gz ZNEBLUZUTNLMIJ-HNNXBMFYSA-N 0 3 362.271 3.071 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000876590679 736117721 /nfs/dbraw/zinc/11/77/21/736117721.db2.gz YZPZNTRHXCXTNX-SNVBAGLBSA-N 0 3 352.740 3.045 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000876611305 736120496 /nfs/dbraw/zinc/12/04/96/736120496.db2.gz BUGZGNMHMDCYEJ-STQMWFEESA-N 0 3 359.253 3.306 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(C(=O)OCC)sc2ccsc21 ZINC000876652531 736127111 /nfs/dbraw/zinc/12/71/11/736127111.db2.gz JPEQSAJHGYVKOA-SNVBAGLBSA-N 0 3 372.899 3.226 20 30 FGEDHN CCN1CCN(c2ccc(NCc3cc(C#N)cnc3Cl)cc2)CC1 ZINC000876820216 736150021 /nfs/dbraw/zinc/15/00/21/736150021.db2.gz MICOVIFNBDHXSD-UHFFFAOYSA-N 0 3 355.873 3.361 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC000877143535 736192517 /nfs/dbraw/zinc/19/25/17/736192517.db2.gz RCMXEAOWZOCGHN-LBPRGKRZSA-N 0 3 359.779 3.315 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H]3CSC[C@H]3C2)c(-c2ccncc2)n1 ZINC000877740515 736712165 /nfs/dbraw/zinc/71/21/65/736712165.db2.gz VWFYGGBFUHTGAG-SJLPKXTDSA-N 0 3 353.495 3.044 20 30 FGEDHN O[C@H](CNCc1ccc(OC(F)F)c(F)c1)C(F)(F)C(F)(F)F ZINC000883367171 737558889 /nfs/dbraw/zinc/55/88/89/737558889.db2.gz JPICBKREXMMOIK-SECBINFHSA-N 0 3 353.209 3.075 20 30 FGEDHN N#CCCCOc1cccc(CNC[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883365956 737559252 /nfs/dbraw/zinc/55/92/52/737559252.db2.gz KMCODDCEODZWOF-ZDUSSCGKSA-N 0 3 352.303 3.017 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cc(F)c(Cl)cc1Cl ZINC000884055655 737629430 /nfs/dbraw/zinc/62/94/30/737629430.db2.gz VKQPGCXMEPOESH-UJVFDKLUSA-N 0 3 370.255 3.449 20 30 FGEDHN CC(C)[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(Cl)cc1F ZINC000884320560 737655353 /nfs/dbraw/zinc/65/53/53/737655353.db2.gz SXOMSWPOPDOOQR-NODTXAAISA-N 0 3 363.864 3.432 20 30 FGEDHN CC[C@H](CC#N)N[C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000893606103 742176333 /nfs/dbraw/zinc/17/63/33/742176333.db2.gz MLLAVKYQVUYVLC-HZPDHXFCSA-N 0 3 351.491 3.217 20 30 FGEDHN CC[C@@H](CC#N)N[C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000893606104 742176361 /nfs/dbraw/zinc/17/63/61/742176361.db2.gz MLLAVKYQVUYVLC-JKSUJKDBSA-N 0 3 351.491 3.217 20 30 FGEDHN CC[C@@H](CC#N)N[C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000893606102 742176515 /nfs/dbraw/zinc/17/65/15/742176515.db2.gz MLLAVKYQVUYVLC-HOTGVXAUSA-N 0 3 351.491 3.217 20 30 FGEDHN Cc1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)ccc1C[NH+](C)C ZINC000886408369 739256868 /nfs/dbraw/zinc/25/68/68/739256868.db2.gz DDLZQUOYPUXQFU-UHFFFAOYSA-N 0 3 357.479 3.314 20 30 FGEDHN C#CCN(C(=O)c1cc2cc(Br)ccc2[nH]1)C1CCN(C)CC1 ZINC000886585034 739272388 /nfs/dbraw/zinc/27/23/88/739272388.db2.gz DOKZPWJQKSVLTB-UHFFFAOYSA-N 0 3 374.282 3.100 20 30 FGEDHN C#CCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)C1CCN(C)CC1 ZINC000886582376 739272443 /nfs/dbraw/zinc/27/24/43/739272443.db2.gz SHHDVQGHONQNTG-UHFFFAOYSA-N 0 3 350.409 3.074 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)c1ccco1 ZINC000894764849 742329436 /nfs/dbraw/zinc/32/94/36/742329436.db2.gz WDPLVSXGIBVWTP-XJKSGUPXSA-N 0 3 360.483 3.484 20 30 FGEDHN N#Cc1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cs1 ZINC000895152020 742382236 /nfs/dbraw/zinc/38/22/36/742382236.db2.gz KXONCBSSPNXXKY-PMACEKPBSA-N 0 3 353.491 3.095 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1C[C@]12CCOC2 ZINC000902203161 743721746 /nfs/dbraw/zinc/72/17/46/743721746.db2.gz KYNPZCDYHJMONQ-APWZRJJASA-N 0 3 362.543 3.011 20 30 FGEDHN C[C@H](N[C@@H]1CCc2ncc(Br)n2C1)c1ccc(C#N)cc1F ZINC000903479956 743855697 /nfs/dbraw/zinc/85/56/97/743855697.db2.gz UBCCTCCVHBESNA-CMPLNLGQSA-N 0 3 363.234 3.322 20 30 FGEDHN COc1ccc(OC)c([C@H](O)CNCc2ccc(SC)c(C#N)c2)c1 ZINC000905465404 744024229 /nfs/dbraw/zinc/02/42/29/744024229.db2.gz OWWZEWZIZVLGAR-QGZVFWFLSA-N 0 3 358.463 3.121 20 30 FGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC[C@@H]2C1 ZINC000946792056 762261142 /nfs/dbraw/zinc/26/11/42/762261142.db2.gz CSYWOEYDEZEEFC-ZSYWTGECSA-N 0 3 359.901 3.108 20 30 FGEDHN C=CCCC[C@H](N)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000911960703 757238703 /nfs/dbraw/zinc/23/87/03/757238703.db2.gz WOHBFBLRJOSYRZ-HNNXBMFYSA-N 0 3 358.467 3.391 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000916876510 758149451 /nfs/dbraw/zinc/14/94/51/758149451.db2.gz AOAYBYXPSKPTBX-MRXNPFEDSA-N 0 3 355.463 3.368 20 30 FGEDHN COc1ccc(C2(C(=O)C(C#N)c3nc(C)cs3)CCOCC2)cc1 ZINC000920323087 758536553 /nfs/dbraw/zinc/53/65/53/758536553.db2.gz ZMWYPFPEYXTGES-MRXNPFEDSA-N 0 3 356.447 3.385 20 30 FGEDHN N#Cc1cc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000921590646 758751900 /nfs/dbraw/zinc/75/19/00/758751900.db2.gz QVJKLKDJUABROI-CYBMUJFWSA-N 0 3 356.369 3.168 20 30 FGEDHN N#Cc1ccc(Br)c(CNCCCO[C@H]2CCCCO2)c1 ZINC000922233540 758876275 /nfs/dbraw/zinc/87/62/75/758876275.db2.gz XSVKAXBPXRJVAT-INIZCTEOSA-N 0 3 353.260 3.344 20 30 FGEDHN C#Cc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC000931616245 760912444 /nfs/dbraw/zinc/91/24/44/760912444.db2.gz PUIKEQZDHVNEGD-XJKSGUPXSA-N 0 3 354.372 3.038 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnc(C)c(Br)c2C)CC1 ZINC000932786077 761245117 /nfs/dbraw/zinc/24/51/17/761245117.db2.gz NPJIWMXLIFYTCJ-UHFFFAOYSA-N 0 3 367.291 3.233 20 30 FGEDHN C#Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)c(Cl)c1 ZINC000933368245 761372404 /nfs/dbraw/zinc/37/24/04/761372404.db2.gz MBGDLWIQTXSDII-UHFFFAOYSA-N 0 3 356.857 3.312 20 30 FGEDHN Cn1cc([C@H]2CSCCCN2CCCOc2cccc(C#N)c2)cn1 ZINC000933979855 761513785 /nfs/dbraw/zinc/51/37/85/761513785.db2.gz BIDOVMHACFTYAI-LJQANCHMSA-N 0 3 356.495 3.241 20 30 FGEDHN N#CCCN(C(=O)CN[C@H]1CCOC12CCCC2)c1cccc(Cl)c1 ZINC000934398686 761622847 /nfs/dbraw/zinc/62/28/47/761622847.db2.gz XCRYWMPCGVILIR-KRWDZBQOSA-N 0 3 361.873 3.278 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCCN(CC(=C)Cl)C2)CC1 ZINC000961410800 762748337 /nfs/dbraw/zinc/74/83/37/762748337.db2.gz JBVWWALJCHQGEO-QRVBRYPASA-N 0 3 366.933 3.281 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1CCC(F)(F)F ZINC000969064330 762853228 /nfs/dbraw/zinc/85/32/28/762853228.db2.gz DXNOUDYRSWSPDN-JYJNAYRXSA-N 0 3 362.436 3.281 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2ccc(C)cc2Cl)C1 ZINC000999429329 765160395 /nfs/dbraw/zinc/16/03/95/765160395.db2.gz ZJLFAUWMIMPOLP-WXVPWVKJSA-N 0 3 362.901 3.319 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)s1 ZINC001000270011 765214277 /nfs/dbraw/zinc/21/42/77/765214277.db2.gz WIPKIVINYANGRU-KBRIMQKVSA-N 0 3 355.463 3.097 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(Cc2cc(C)sc2C)CC1 ZINC001003780680 765401368 /nfs/dbraw/zinc/40/13/68/765401368.db2.gz VGLNAXWNQFCYKQ-OALUTQOASA-N 0 3 362.539 3.427 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001022831209 766029773 /nfs/dbraw/zinc/02/97/73/766029773.db2.gz CUWJTFRWWAMVGH-XJFOESAGSA-N 0 3 369.328 3.305 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001022839669 766033119 /nfs/dbraw/zinc/03/31/19/766033119.db2.gz PKEQPOBIUNYDPV-HDEZJCGLSA-N 0 3 363.299 3.244 20 30 FGEDHN C=C(Br)CNC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001026565046 766078301 /nfs/dbraw/zinc/07/83/01/766078301.db2.gz RHBMRKPQVWUJHH-NEXFUWMNSA-N 0 3 367.287 3.309 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001029865223 766158115 /nfs/dbraw/zinc/15/81/15/766158115.db2.gz ZUGUJMBIOUVXPE-MDASCCDHSA-N 0 3 357.523 3.336 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(Cc2cc(C)sc2C)C1 ZINC001034409845 766241484 /nfs/dbraw/zinc/24/14/84/766241484.db2.gz YRJHDIBFDWJDJM-OTWHNJEPSA-N 0 3 362.539 3.427 20 30 FGEDHN CC[C@@H]1C[C@H]1C(=O)N1CCC2(CCN(Cc3ccc(C#N)s3)C2)CC1 ZINC001035230604 766258893 /nfs/dbraw/zinc/25/88/93/766258893.db2.gz OJRWBDUEPFCOBK-CRAIPNDOSA-N 0 3 357.523 3.480 20 30 FGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC001040261758 766301804 /nfs/dbraw/zinc/30/18/04/766301804.db2.gz AJIBLKONYHBMIF-JFIYKMOQSA-N 0 3 354.416 3.079 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC001041736941 766340711 /nfs/dbraw/zinc/34/07/11/766340711.db2.gz BYQVUEXALWMURN-CMKODMSKSA-N 0 3 360.523 3.154 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001045970933 766578991 /nfs/dbraw/zinc/57/89/91/766578991.db2.gz OJRVXBHGADYOMB-NIHOYUCZSA-N 0 3 352.906 3.035 20 30 FGEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001054211373 767003199 /nfs/dbraw/zinc/00/31/99/767003199.db2.gz OFJKAUZDKSYUAH-QKNQBKEWSA-N 0 3 356.897 3.391 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ncc[nH]3)CC2)cc1Cl ZINC000265468091 257372066 /nfs/dbraw/zinc/37/20/66/257372066.db2.gz HOFCXDNNUZCURR-UHFFFAOYSA-N 0 3 357.845 3.143 20 30 FGEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)C1 ZINC000576808985 505599605 /nfs/dbraw/zinc/59/96/05/505599605.db2.gz ORAYTMTVPXARQJ-AFMUBRCDSA-N 0 3 366.509 3.307 20 30 FGEDHN N#CCCC1CCN(Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000579834938 505629901 /nfs/dbraw/zinc/62/99/01/505629901.db2.gz FZYMRKNJYMPPGA-UHFFFAOYSA-N 0 3 355.482 3.107 20 30 FGEDHN C[C@H](Cc1ccc(Br)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000579864041 505635005 /nfs/dbraw/zinc/63/50/05/505635005.db2.gz KDEGKZHSTCJRPH-GFCCVEGCSA-N 0 3 370.254 3.084 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CNCc1ccccc1Sc1ccccc1 ZINC000571040238 505639210 /nfs/dbraw/zinc/63/92/10/505639210.db2.gz XYNOOOUKQMKDPA-SFHVURJKSA-N 0 3 355.507 3.134 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1cccs1 ZINC000573899563 505646880 /nfs/dbraw/zinc/64/68/80/505646880.db2.gz SZPVHTTTZIKWRD-SUMWQHHRSA-N 0 3 374.897 3.481 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(NC(=O)[C@@H]3CCCO3)c1)CC2 ZINC000571091595 505650970 /nfs/dbraw/zinc/65/09/70/505650970.db2.gz BVNSZXNQJZVAKH-SFTDATJTSA-N 0 3 361.445 3.453 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2csc3ccccc23)c1 ZINC000577126273 505669209 /nfs/dbraw/zinc/66/92/09/505669209.db2.gz IEEIGTJRGOBNHN-UHFFFAOYSA-N 0 3 370.499 3.379 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCN1C ZINC000574006399 505671535 /nfs/dbraw/zinc/67/15/35/505671535.db2.gz QFNPILXPHMUNAK-GDBMZVCRSA-N 0 3 365.437 3.350 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000068310457 493794532 /nfs/dbraw/zinc/79/45/32/493794532.db2.gz NSKYDDQKQKMXQV-SFTDATJTSA-N 0 3 365.452 3.391 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])cnc1NCC1CCN(Cc2cccs2)CC1 ZINC000057854770 493809430 /nfs/dbraw/zinc/80/94/30/493809430.db2.gz VCNMUXSBQDWGQM-UHFFFAOYSA-N 0 3 357.439 3.247 20 30 FGEDHN COCCN(C)CCCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000076097431 493820771 /nfs/dbraw/zinc/82/07/71/493820771.db2.gz JFVKJZCVGOLLNB-UHFFFAOYSA-N 0 3 365.477 3.176 20 30 FGEDHN N#CCOc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000048516520 493834888 /nfs/dbraw/zinc/83/48/88/493834888.db2.gz HXWOXQNBLPFLFO-UHFFFAOYSA-N 0 3 364.449 3.375 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)c2cnn(CCN3CCCCC3)c2)cc1 ZINC000081300871 493864543 /nfs/dbraw/zinc/86/45/43/493864543.db2.gz JQYOZEHXSDRYPE-UHFFFAOYSA-N 0 3 365.481 3.238 20 30 FGEDHN C[C@H](Cc1cccc(F)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000068791413 493874284 /nfs/dbraw/zinc/87/42/84/493874284.db2.gz YIZCOMJQCIBQBJ-QGZVFWFLSA-N 0 3 367.468 3.466 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000050107884 493899124 /nfs/dbraw/zinc/89/91/24/493899124.db2.gz KABZVIKOEJARBK-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cccc4c3OCCO4)C2)c(F)c1 ZINC000068991236 493903882 /nfs/dbraw/zinc/90/38/82/493903882.db2.gz KSPQXCOPVHYCEI-KRWDZBQOSA-N 0 3 367.424 3.227 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cccc4c3OCO4)C2)c(F)c1 ZINC000068991454 493903909 /nfs/dbraw/zinc/90/39/09/493903909.db2.gz FKDHHQMIRMLPHJ-INIZCTEOSA-N 0 3 353.397 3.185 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1CN(C)C ZINC000031231551 493932715 /nfs/dbraw/zinc/93/27/15/493932715.db2.gz UCBDKDFJZZLPMH-UHFFFAOYSA-N 0 3 353.470 3.047 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000081729556 493947417 /nfs/dbraw/zinc/94/74/17/493947417.db2.gz XZBJRZQOHDFNNV-WOJBJXKFSA-N 0 3 362.477 3.166 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069299506 493952936 /nfs/dbraw/zinc/95/29/36/493952936.db2.gz XJBWDBDOUVNPAQ-CALCHBBNSA-N 0 3 370.497 3.220 20 30 FGEDHN C=CCN(CC(F)(F)F)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061190377 493968205 /nfs/dbraw/zinc/96/82/05/493968205.db2.gz ZFFILTZWVAMTKJ-UHFFFAOYSA-N 0 3 369.431 3.408 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)nc(C)n1 ZINC000076822165 493975375 /nfs/dbraw/zinc/97/53/75/493975375.db2.gz VHJNZFFKCUNOJP-GOSISDBHSA-N 0 3 364.449 3.198 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1 ZINC000084181222 494053839 /nfs/dbraw/zinc/05/38/39/494053839.db2.gz AJRDCIMUYYDTMA-UHFFFAOYSA-N 0 3 354.479 3.010 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000077381825 494072343 /nfs/dbraw/zinc/07/23/43/494072343.db2.gz WCDBAZYOIFMCHP-GOSISDBHSA-N 0 3 363.417 3.453 20 30 FGEDHN CN(Cc1ccccc1N1CCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000053419966 494128528 /nfs/dbraw/zinc/12/85/28/494128528.db2.gz WQJBRWLUTAOSSD-FQEVSTJZSA-N 0 3 365.477 3.030 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000086394685 494152636 /nfs/dbraw/zinc/15/26/36/494152636.db2.gz AVYBLXFMZRZVFH-MRXNPFEDSA-N 0 3 367.497 3.191 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1OC ZINC000053690518 494158466 /nfs/dbraw/zinc/15/84/66/494158466.db2.gz SFWMRUBVOJZHJN-UHFFFAOYSA-N 0 3 368.477 3.464 20 30 FGEDHN Cc1nn(C)c2nc(C)c(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cc12 ZINC000041552530 494167612 /nfs/dbraw/zinc/16/76/12/494167612.db2.gz DBVTYQDGBUWICC-CQSZACIVSA-N 0 3 373.338 3.489 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000042657918 494235170 /nfs/dbraw/zinc/23/51/70/494235170.db2.gz HJBWHRRRLXOMSL-QFIPXVFZSA-N 0 3 363.461 3.332 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1Cl ZINC000065931122 494257238 /nfs/dbraw/zinc/25/72/38/494257238.db2.gz ISJXVWXSLGYKOW-UHFFFAOYSA-N 0 3 355.869 3.345 20 30 FGEDHN Cc1cccc(C)c1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931388 494257937 /nfs/dbraw/zinc/25/79/37/494257937.db2.gz PQTDLYPYYSSSRO-UHFFFAOYSA-N 0 3 365.477 3.144 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C(=O)NC)ccc1C)C(C)C ZINC000044180998 494341956 /nfs/dbraw/zinc/34/19/56/494341956.db2.gz BUXVWIWDQCQJNY-LJQANCHMSA-N 0 3 372.513 3.175 20 30 FGEDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000079019960 494394087 /nfs/dbraw/zinc/39/40/87/494394087.db2.gz KFAXXIUIERNOBG-UHFFFAOYSA-N 0 3 368.456 3.279 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000079304134 494433442 /nfs/dbraw/zinc/43/34/42/494433442.db2.gz UKKLUVMNIQCAHL-HOTGVXAUSA-N 0 3 370.497 3.210 20 30 FGEDHN C[C@@H](NC(=O)NCc1cccc(OCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000045814414 494465628 /nfs/dbraw/zinc/46/56/28/494465628.db2.gz PMOXEUGKIOVCNJ-MRXNPFEDSA-N 0 3 366.465 3.059 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H](C)C(C)(C)C ZINC000045823171 494467073 /nfs/dbraw/zinc/46/70/73/494467073.db2.gz XJSUDEXGCZQGKW-MRXNPFEDSA-N 0 3 362.518 3.318 20 30 FGEDHN COc1c(C)cnc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000067226460 494496766 /nfs/dbraw/zinc/49/67/66/494496766.db2.gz DTVXGUCFYQULOO-UHFFFAOYSA-N 0 3 364.493 3.287 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(CN(C)C)c1 ZINC000046785338 494565888 /nfs/dbraw/zinc/56/58/88/494565888.db2.gz AYKYSCVOHMNQSM-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN COc1ccc([C@H](NC[C@@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000023677626 494574810 /nfs/dbraw/zinc/57/48/10/494574810.db2.gz XZDPHUMUVOENGC-WIYYLYMNSA-N 0 3 354.450 3.293 20 30 FGEDHN COc1ccc([C@H](NC[C@H](O)COc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000023677801 494575462 /nfs/dbraw/zinc/57/54/62/494575462.db2.gz ZEMRDJZVQHIGTB-SIKLNZKXSA-N 0 3 368.477 3.488 20 30 FGEDHN Cc1cccc(CN2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)c1 ZINC000046873812 494577586 /nfs/dbraw/zinc/57/75/86/494577586.db2.gz FJKWGNPKOOBDRT-UHFFFAOYSA-N 0 3 363.461 3.026 20 30 FGEDHN Cc1cccc(C)c1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010550 494615374 /nfs/dbraw/zinc/61/53/74/494615374.db2.gz APWXJNWKEOBSHV-UHFFFAOYSA-N 0 3 365.477 3.144 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000568596006 505731647 /nfs/dbraw/zinc/73/16/47/505731647.db2.gz PAPODAGEUZGEOQ-IKGGRYGDSA-N 0 3 363.527 3.164 20 30 FGEDHN CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092707630 494720610 /nfs/dbraw/zinc/72/06/10/494720610.db2.gz YFPOUAMVGLEWQD-IBGZPJMESA-N 0 3 357.498 3.497 20 30 FGEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000091932281 494724893 /nfs/dbraw/zinc/72/48/93/494724893.db2.gz NKIDCACBGGQCDG-HXUWFJFHSA-N 0 3 359.477 3.302 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C1CC1)C1CC1 ZINC000080535798 494729598 /nfs/dbraw/zinc/72/95/98/494729598.db2.gz NWYYGZSCNXJDDL-UHFFFAOYSA-N 0 3 354.498 3.068 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000108529366 494731557 /nfs/dbraw/zinc/73/15/57/494731557.db2.gz PQARTQNAQPJOOE-AWEZNQCLSA-N 0 3 372.498 3.340 20 30 FGEDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000126385790 494733514 /nfs/dbraw/zinc/73/35/14/494733514.db2.gz XOAXJPASYGWOHG-APWZRJJASA-N 0 3 354.450 3.242 20 30 FGEDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000126386307 494733951 /nfs/dbraw/zinc/73/39/51/494733951.db2.gz XOAXJPASYGWOHG-VQIMIIECSA-N 0 3 354.450 3.242 20 30 FGEDHN C[C@@H]1CN(C2CCN(Cc3cccc(OCCCC#N)c3)CC2)CCO1 ZINC000092079203 494782927 /nfs/dbraw/zinc/78/29/27/494782927.db2.gz PRYSSEZZDREPTM-GOSISDBHSA-N 0 3 357.498 3.054 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCN(CC4CCCCC4)CC3)o2)cc1 ZINC000075673900 494811962 /nfs/dbraw/zinc/81/19/62/494811962.db2.gz VKYJRDWQFYGXBL-UHFFFAOYSA-N 0 3 365.481 3.306 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](CN3CCOCC3)C2)ccc1OC ZINC000093042608 494814443 /nfs/dbraw/zinc/81/44/43/494814443.db2.gz HZXNVGASGQPDNC-FQEVSTJZSA-N 0 3 374.525 3.194 20 30 FGEDHN N#Cc1ccc(SCC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000093066275 494821541 /nfs/dbraw/zinc/82/15/41/494821541.db2.gz KFAROBNLKVZSGI-UHFFFAOYSA-N 0 3 366.490 3.078 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000093239567 494849409 /nfs/dbraw/zinc/84/94/09/494849409.db2.gz HJFVGXPTHSAEPA-UHFFFAOYSA-N 0 3 352.442 3.193 20 30 FGEDHN CC1(C)CN(c2ccnc(C#N)n2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000568651135 505745853 /nfs/dbraw/zinc/74/58/53/505745853.db2.gz JYQUELPRSLCTKG-OAQYLSRUSA-N 0 3 361.493 3.475 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCCCO1 ZINC000121834902 494870805 /nfs/dbraw/zinc/87/08/05/494870805.db2.gz PYKNTKRLWMSMSJ-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000122159724 494932981 /nfs/dbraw/zinc/93/29/81/494932981.db2.gz YXCHWAPEDHSFQM-GFCCVEGCSA-N 0 3 374.322 3.399 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000133182962 494981757 /nfs/dbraw/zinc/98/17/57/494981757.db2.gz HEZINHUPZAIERN-UHFFFAOYSA-N 0 3 365.477 3.158 20 30 FGEDHN Cc1cccc(NCCNCc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000133503348 495022007 /nfs/dbraw/zinc/02/20/07/495022007.db2.gz YCJWTICDZQTGNE-UHFFFAOYSA-N 0 3 360.465 3.369 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)c1ccccc1OCCN(C)C ZINC000111029894 495032001 /nfs/dbraw/zinc/03/20/01/495032001.db2.gz GURCVUQVIKMITR-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN N#Cc1ccc2ncc(CNC[C@H](c3cccs3)N3CCCC3)n2c1 ZINC000123136464 495085187 /nfs/dbraw/zinc/08/51/87/495085187.db2.gz VQQWVOQCTOLWLG-QGZVFWFLSA-N 0 3 351.479 3.194 20 30 FGEDHN C=CCOc1cccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000123389879 495125532 /nfs/dbraw/zinc/12/55/32/495125532.db2.gz PLHHGTZURYPVMO-UHFFFAOYSA-N 0 3 355.438 3.399 20 30 FGEDHN CC(C)NC(=O)Nc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123389700 495125647 /nfs/dbraw/zinc/12/56/47/495125647.db2.gz DMMXZPBCTSDHMN-UHFFFAOYSA-N 0 3 362.437 3.026 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1)C(C)C ZINC000574396212 505763913 /nfs/dbraw/zinc/76/39/13/505763913.db2.gz ULSDICLKBCWFNJ-VAMGGRTRSA-N 0 3 363.546 3.286 20 30 FGEDHN C=CCOc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000128902891 495165704 /nfs/dbraw/zinc/16/57/04/495165704.db2.gz JRLJDUZMLLGGNJ-MRXNPFEDSA-N 0 3 354.410 3.241 20 30 FGEDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000119499882 495177695 /nfs/dbraw/zinc/17/76/95/495177695.db2.gz YEENQESBTFTWLE-UHFFFAOYSA-N 0 3 350.466 3.281 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)N(C)CCC#N ZINC000112526584 495201245 /nfs/dbraw/zinc/20/12/45/495201245.db2.gz VQINIUMHDHRZRB-IRXDYDNUSA-N 0 3 366.465 3.072 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000119873244 495259362 /nfs/dbraw/zinc/25/93/62/495259362.db2.gz FEFPRAWSZACWKR-UZLBHIALSA-N 0 3 365.502 3.287 20 30 FGEDHN N#Cc1cccc(OC2CCN(CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000104713568 495300078 /nfs/dbraw/zinc/30/00/78/495300078.db2.gz VIAMTRQGNDTQFN-UHFFFAOYSA-N 0 3 374.444 3.302 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000568769456 505773484 /nfs/dbraw/zinc/77/34/84/505773484.db2.gz XMQQDLYEYYQCKM-JOCHJYFZSA-N 0 3 362.477 3.019 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(CC#N)cc2)c1 ZINC000574448986 505775460 /nfs/dbraw/zinc/77/54/60/505775460.db2.gz LOSZTLUALXAKCA-UHFFFAOYSA-N 0 3 364.493 3.335 20 30 FGEDHN N#Cc1csc(CNC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000136498290 495383586 /nfs/dbraw/zinc/38/35/86/495383586.db2.gz LBJMWHVRFOMEHR-CQSZACIVSA-N 0 3 370.396 3.459 20 30 FGEDHN Cc1ccc(C)c(C(=O)C(C(=S)[N-]C[C@H]2CCOC2)[n+]2ccccc2)c1 ZINC000136530536 495384937 /nfs/dbraw/zinc/38/49/37/495384937.db2.gz LJNLEOGROUQYRH-QGZVFWFLSA-O 0 3 369.510 3.156 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCN(c3ccccn3)C2)ccc1OC ZINC000120529381 495398341 /nfs/dbraw/zinc/39/83/41/495398341.db2.gz CHUZZPMKEVHVTJ-GOSISDBHSA-N 0 3 353.466 3.414 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(c3cccc(F)c3)CCOCC2)CC1 ZINC000106034227 495405461 /nfs/dbraw/zinc/40/54/61/495405461.db2.gz CIJZOLKANPZWRH-UHFFFAOYSA-N 0 3 360.473 3.031 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCc2nc(-c3cccs3)no2)CC1 ZINC000106036367 495405639 /nfs/dbraw/zinc/40/56/39/495405639.db2.gz MMLQXFONPNHEHZ-UHFFFAOYSA-N 0 3 374.510 3.278 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(N3CCCCCC3)nc2)CC1 ZINC000106034997 495405951 /nfs/dbraw/zinc/40/59/51/495405951.db2.gz SQPYNEVPGQIYQH-UHFFFAOYSA-N 0 3 356.514 3.232 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2=Cc3cccc(OCC)c3OC2)CC1 ZINC000106036240 495406144 /nfs/dbraw/zinc/40/61/44/495406144.db2.gz HSHXGUATEZYWBV-UHFFFAOYSA-N 0 3 356.466 3.018 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2nc(-c3cccs3)oc2C)CC1 ZINC000106037054 495406410 /nfs/dbraw/zinc/40/64/10/495406410.db2.gz OVFGAQYAHVERLV-UHFFFAOYSA-N 0 3 359.495 3.411 20 30 FGEDHN CC(C)(C)CCN1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000125322175 495426055 /nfs/dbraw/zinc/42/60/55/495426055.db2.gz KJHHARNLNGFISI-UHFFFAOYSA-N 0 3 362.905 3.204 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000106275570 495442019 /nfs/dbraw/zinc/44/20/19/495442019.db2.gz VRCKLQJIGXSKAY-OAQYLSRUSA-N 0 3 371.525 3.182 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2ccc3c(c2)OCCO3)CC1 ZINC000106275195 495442065 /nfs/dbraw/zinc/44/20/65/495442065.db2.gz IOGZNDHAOOHTAW-SFHVURJKSA-N 0 3 373.497 3.249 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)ccc2OC(F)F)CC1 ZINC000106320329 495444084 /nfs/dbraw/zinc/44/40/84/495444084.db2.gz LPJKZRZQHRTEAQ-UHFFFAOYSA-N 0 3 369.412 3.459 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000106349421 495447608 /nfs/dbraw/zinc/44/76/08/495447608.db2.gz PYZMQDAOYNOAGD-UHFFFAOYSA-N 0 3 370.280 3.089 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN(C)CCCn1ccnc1C ZINC000130952091 495471241 /nfs/dbraw/zinc/47/12/41/495471241.db2.gz XLKWFYDUPZPNBN-UHFFFAOYSA-N 0 3 358.511 3.430 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC[C@H](O)CN1CCC(C)CC1)c1ccccc1 ZINC000130977096 495474347 /nfs/dbraw/zinc/47/43/47/495474347.db2.gz BGAGALVXDVCSKL-VQTJNVASSA-N 0 3 359.514 3.086 20 30 FGEDHN Cn1cc(CNCCSCc2ccccc2C#N)c(-c2ccncc2)n1 ZINC000139313875 495476697 /nfs/dbraw/zinc/47/66/97/495476697.db2.gz QHGRQSBACVQPKQ-UHFFFAOYSA-N 0 3 363.490 3.377 20 30 FGEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3ccc(Cl)cc3)C2)nc1 ZINC000568824917 505785131 /nfs/dbraw/zinc/78/51/31/505785131.db2.gz BFIBDBHGDWIDPZ-KRWDZBQOSA-N 0 3 370.840 3.089 20 30 FGEDHN CC(C)N1CCN(c2cccc(NCc3cnc4ccc(C#N)cn34)c2)CC1 ZINC000125723140 495488162 /nfs/dbraw/zinc/48/81/62/495488162.db2.gz JAYIUJUDSOHFKN-UHFFFAOYSA-N 0 3 374.492 3.348 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2ncccc2c1 ZINC000120935674 495488123 /nfs/dbraw/zinc/48/81/23/495488123.db2.gz UNDBDRYFPBAETJ-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000141772784 495510254 /nfs/dbraw/zinc/51/02/54/495510254.db2.gz YGDZHXKEPPJETO-LJQANCHMSA-N 0 3 368.525 3.272 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2[nH]nc(C(C)C)c2Br)CC1 ZINC000106918553 495512500 /nfs/dbraw/zinc/51/25/00/495512500.db2.gz URQCRWPHZCUELG-UHFFFAOYSA-N 0 3 369.307 3.066 20 30 FGEDHN CC(C)N1CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000170665156 495552309 /nfs/dbraw/zinc/55/23/09/495552309.db2.gz WOXZGXOSYHMDDF-UHFFFAOYSA-N 0 3 367.449 3.333 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000148935479 495589367 /nfs/dbraw/zinc/58/93/67/495589367.db2.gz NQMXZLRFLBSOBH-GOSISDBHSA-N 0 3 368.506 3.331 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCN1C ZINC000173652116 495634431 /nfs/dbraw/zinc/63/44/31/495634431.db2.gz AWKHQTFBTCFNCT-RHSMWYFYSA-N 0 3 367.415 3.181 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2CCC)CC1 ZINC000182645394 495648626 /nfs/dbraw/zinc/64/86/26/495648626.db2.gz YLNMLEHKXQLEAR-UHFFFAOYSA-N 0 3 352.482 3.205 20 30 FGEDHN N#CCCN(Cc1ccc(OCCN2CCCC2)cc1)Cc1cccnc1 ZINC000159077019 495652190 /nfs/dbraw/zinc/65/21/90/495652190.db2.gz UCFNOZFUXAZACQ-UHFFFAOYSA-N 0 3 364.493 3.472 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)c2ccc(F)cc2F)CC1 ZINC000176498919 495673434 /nfs/dbraw/zinc/67/34/34/495673434.db2.gz MATYUNXXUMYWHO-AWEZNQCLSA-N 0 3 351.441 3.408 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000182767778 495695625 /nfs/dbraw/zinc/69/56/25/495695625.db2.gz AURXTYRGCQMVKX-HNNXBMFYSA-N 0 3 360.326 3.030 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(CCOCC)CCCC2)CC1 ZINC000159336529 495711361 /nfs/dbraw/zinc/71/13/61/495711361.db2.gz ASPTUROWYZMDRC-UHFFFAOYSA-N 0 3 351.535 3.313 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179755218 495721238 /nfs/dbraw/zinc/72/12/38/495721238.db2.gz VEQGJQLCAQRXGM-YWZLYKJASA-N 0 3 356.466 3.088 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2)CC1 ZINC000176614310 495721574 /nfs/dbraw/zinc/72/15/74/495721574.db2.gz SZRFBOXHIHEQRG-NRFANRHFSA-N 0 3 368.525 3.419 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000173865960 495725727 /nfs/dbraw/zinc/72/57/27/495725727.db2.gz DELJKGXOGWMMKA-UHFFFAOYSA-N 0 3 364.449 3.206 20 30 FGEDHN C=CCN1CCC(NC(=O)CSc2cccc(Br)c2)CC1 ZINC000179807395 495741123 /nfs/dbraw/zinc/74/11/23/495741123.db2.gz CTNKUUHSEFWEGP-UHFFFAOYSA-N 0 3 369.328 3.308 20 30 FGEDHN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571730800 505800872 /nfs/dbraw/zinc/80/08/72/505800872.db2.gz TVUKGIYIRLICAZ-HRAATJIYSA-N 0 3 354.425 3.239 20 30 FGEDHN Cn1cnnc1-c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179942137 495794009 /nfs/dbraw/zinc/79/40/09/495794009.db2.gz RUSIJNFHPABZFS-UHFFFAOYSA-N 0 3 372.476 3.430 20 30 FGEDHN N#Cc1ccc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000176944693 495852511 /nfs/dbraw/zinc/85/25/11/495852511.db2.gz NAADFDCLGFFLPP-GOSISDBHSA-N 0 3 361.898 3.436 20 30 FGEDHN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1-n1cccn1 ZINC000183151053 495857163 /nfs/dbraw/zinc/85/71/63/495857163.db2.gz UVKOBAZCPRQDFK-QGZVFWFLSA-N 0 3 365.481 3.208 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CNc2ccc(OC3CCN(C)CC3)nc2)cc1 ZINC000160118869 495888025 /nfs/dbraw/zinc/88/80/25/495888025.db2.gz VVUVDPQGOTXYRV-MRXNPFEDSA-N 0 3 366.465 3.458 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000183246287 495897092 /nfs/dbraw/zinc/89/70/92/495897092.db2.gz BOZHOJDHWIMJEH-UHFFFAOYSA-N 0 3 364.449 3.483 20 30 FGEDHN N#Cc1ccc(CNCCCN2CCN(c3ccccc3Cl)CC2)o1 ZINC000174307218 495903463 /nfs/dbraw/zinc/90/34/63/495903463.db2.gz WBOGKEVPPHLHHE-UHFFFAOYSA-N 0 3 358.873 3.107 20 30 FGEDHN CC[C@H](C(=O)N1CCC(NCc2ccc(C#N)o2)CC1)c1ccccc1 ZINC000174326693 495911068 /nfs/dbraw/zinc/91/10/68/495911068.db2.gz CZQFMMOTIUTYHW-FQEVSTJZSA-N 0 3 351.450 3.426 20 30 FGEDHN Cn1nnc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)ccc21 ZINC000171567369 495930213 /nfs/dbraw/zinc/93/02/13/495930213.db2.gz QESWHYFTAVBQET-NSHDSACASA-N 0 3 366.331 3.203 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000155439565 495958053 /nfs/dbraw/zinc/95/80/53/495958053.db2.gz OIQFWUAMOGMLJW-UHFFFAOYSA-N 0 3 352.438 3.014 20 30 FGEDHN C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccncc1 ZINC000160580802 495996050 /nfs/dbraw/zinc/99/60/50/495996050.db2.gz PCPQWAPJNJXKKX-KRWDZBQOSA-N 0 3 350.466 3.037 20 30 FGEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577913912 505816905 /nfs/dbraw/zinc/81/69/05/505816905.db2.gz BKMWIPSAPGVZRW-INIZCTEOSA-N 0 3 369.490 3.143 20 30 FGEDHN C=CCSCCN[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000180456881 496003077 /nfs/dbraw/zinc/00/30/77/496003077.db2.gz HLAWOQYGMJRUHA-MRXNPFEDSA-N 0 3 368.568 3.431 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)CC1 ZINC000171717548 496004381 /nfs/dbraw/zinc/00/43/81/496004381.db2.gz ZNLKSCYQRXNFMV-INIZCTEOSA-N 0 3 372.513 3.121 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2NC(=O)c2ccsc2)CC1 ZINC000171721602 496006850 /nfs/dbraw/zinc/00/68/50/496006850.db2.gz WEBADOHAQMEBIV-UHFFFAOYSA-N 0 3 369.490 3.381 20 30 FGEDHN CCOc1c(OC)cc(CNCCOc2ccc(C#N)cc2)cc1OC ZINC000174559943 496010231 /nfs/dbraw/zinc/01/02/31/496010231.db2.gz MFZPCJHQJRPWNZ-UHFFFAOYSA-N 0 3 356.422 3.143 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000171736753 496013096 /nfs/dbraw/zinc/01/30/96/496013096.db2.gz SRUQTBXABUWVCX-UHFFFAOYSA-N 0 3 371.403 3.377 20 30 FGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000180551245 496041342 /nfs/dbraw/zinc/04/13/42/496041342.db2.gz DQFWUVSUASLETH-OAHLLOKOSA-N 0 3 351.406 3.396 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1-n1cccn1 ZINC000160801224 496044617 /nfs/dbraw/zinc/04/46/17/496044617.db2.gz NDNDWPZCVPAWCR-CVEARBPZSA-N 0 3 359.433 3.422 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)CC2CCOCC2)CC1 ZINC000171907827 496086568 /nfs/dbraw/zinc/08/65/68/496086568.db2.gz LXTUAMQHHFOKKX-UHFFFAOYSA-N 0 3 371.525 3.275 20 30 FGEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180710724 496113302 /nfs/dbraw/zinc/11/33/02/496113302.db2.gz HCWHYFLRCYADCU-UHFFFAOYSA-N 0 3 363.461 3.151 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@H]1C ZINC000568992460 505825623 /nfs/dbraw/zinc/82/56/23/505825623.db2.gz LDOHJGNVBUPCOJ-CABCVRRESA-N 0 3 350.470 3.071 20 30 FGEDHN N#CCCn1cc(CN[C@H]2Cc3ccccc3[C@H]2O)c(-c2ccccc2)n1 ZINC000172067767 496149839 /nfs/dbraw/zinc/14/98/39/496149839.db2.gz KAQYKAPGMFPONW-RBBKRZOGSA-N 0 3 358.445 3.212 20 30 FGEDHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000180836794 496165036 /nfs/dbraw/zinc/16/50/36/496165036.db2.gz QBMNGAKXMOTCDA-GOSISDBHSA-N 0 3 373.460 3.470 20 30 FGEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000177727826 496174351 /nfs/dbraw/zinc/17/43/51/496174351.db2.gz BRZAXFUJZMPTDG-QWXGXRTQSA-N 0 3 369.490 3.317 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000152518292 496175450 /nfs/dbraw/zinc/17/54/50/496175450.db2.gz QETSVEHSHGGQJY-LPHOPBHVSA-N 0 3 355.482 3.248 20 30 FGEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(SC(F)F)cc1 ZINC000180877306 496182542 /nfs/dbraw/zinc/18/25/42/496182542.db2.gz CBHKRNLMWYVZJB-YZSSSTSJSA-N 0 3 367.421 3.178 20 30 FGEDHN CCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000177796281 496200141 /nfs/dbraw/zinc/20/01/41/496200141.db2.gz UIDCBJIZPAGPSL-LJQANCHMSA-N 0 3 350.466 3.403 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1C)C(C)C ZINC000186913197 496207761 /nfs/dbraw/zinc/20/77/61/496207761.db2.gz RLRQRZQVVYSOKQ-FQEVSTJZSA-N 0 3 357.498 3.382 20 30 FGEDHN COC(=O)c1ccccc1CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000186958720 496228865 /nfs/dbraw/zinc/22/88/65/496228865.db2.gz CBRBQEQSBLYBLN-UHFFFAOYSA-N 0 3 364.445 3.431 20 30 FGEDHN C=CCN1CCC(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000177875074 496233988 /nfs/dbraw/zinc/23/39/88/496233988.db2.gz BITPKOVKIFBSNV-UHFFFAOYSA-N 0 3 373.497 3.195 20 30 FGEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000181333826 496357130 /nfs/dbraw/zinc/35/71/30/496357130.db2.gz IPHCLXTUCRQEFM-HNNXBMFYSA-N 0 3 351.406 3.244 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000175387001 496368579 /nfs/dbraw/zinc/36/85/79/496368579.db2.gz VZWMTPDPBIDUFY-UHFFFAOYSA-N 0 3 367.493 3.489 20 30 FGEDHN COc1ccc(OC)c([C@H](C)NCCOc2ccc(C#N)cc2OC)c1 ZINC000172647908 496374877 /nfs/dbraw/zinc/37/48/77/496374877.db2.gz GYYYYRSZTYGUHV-AWEZNQCLSA-N 0 3 356.422 3.314 20 30 FGEDHN C[C@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(C#N)c1 ZINC000181402645 496379365 /nfs/dbraw/zinc/37/93/65/496379365.db2.gz RWGODJNZRYNOAK-HRAATJIYSA-N 0 3 353.441 3.421 20 30 FGEDHN C=CCc1cc(CN2CCC(C(=O)N3CCCCC3)CC2)cc(OC)c1O ZINC000162641520 496388770 /nfs/dbraw/zinc/38/87/70/496388770.db2.gz HWKOXFLUGBZKFI-UHFFFAOYSA-N 0 3 372.509 3.354 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000178286525 496400182 /nfs/dbraw/zinc/40/01/82/496400182.db2.gz MMRBZPIVLGJKDX-INIZCTEOSA-N 0 3 357.475 3.094 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000172804331 496438927 /nfs/dbraw/zinc/43/89/27/496438927.db2.gz YXLHJAWAMXPVQB-MRXNPFEDSA-N 0 3 353.441 3.391 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC000163042198 496456223 /nfs/dbraw/zinc/45/62/23/496456223.db2.gz NKSASKLTEMREQE-GOSISDBHSA-N 0 3 361.486 3.313 20 30 FGEDHN C[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000181592781 496460267 /nfs/dbraw/zinc/46/02/67/496460267.db2.gz SDXORTUZTXTZJT-HRAATJIYSA-N 0 3 353.441 3.421 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181593875 496460987 /nfs/dbraw/zinc/46/09/87/496460987.db2.gz LAKRGZHCWXZEOW-MRXNPFEDSA-N 0 3 371.506 3.440 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](c3cccnc3)C2)cc1Cl ZINC000580831936 505848167 /nfs/dbraw/zinc/84/81/67/505848167.db2.gz KTTIYTKQWKORKE-MRXNPFEDSA-N 0 3 354.841 3.425 20 30 FGEDHN CCCc1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000173028649 496526229 /nfs/dbraw/zinc/52/62/29/496526229.db2.gz PMECYLGIEQLDLM-UHFFFAOYSA-N 0 3 356.495 3.171 20 30 FGEDHN C[C@@H](CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000574760786 505849883 /nfs/dbraw/zinc/84/98/83/505849883.db2.gz ZOUKKQIACYAAGK-HOTGVXAUSA-N 0 3 353.422 3.453 20 30 FGEDHN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000181776821 496541028 /nfs/dbraw/zinc/54/10/28/496541028.db2.gz BKKALSQDLOKNCM-INIZCTEOSA-N 0 3 356.491 3.288 20 30 FGEDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000181825115 496561456 /nfs/dbraw/zinc/56/14/56/496561456.db2.gz VTUNMHFPAZDCCD-CQSZACIVSA-N 0 3 352.394 3.454 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000181882679 496584348 /nfs/dbraw/zinc/58/43/48/496584348.db2.gz AWDMBUSOYKPNTL-DYESRHJHSA-N 0 3 365.477 3.249 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000173197146 496589156 /nfs/dbraw/zinc/58/91/56/496589156.db2.gz ARAZMFLQSOOFBW-QGZVFWFLSA-N 0 3 359.539 3.461 20 30 FGEDHN C[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000181899840 496591668 /nfs/dbraw/zinc/59/16/68/496591668.db2.gz DHFBYBCDLRFUFU-LPHOPBHVSA-N 0 3 355.482 3.421 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000164412435 496610871 /nfs/dbraw/zinc/61/08/71/496610871.db2.gz BEKPYIRCTZGHGM-UHFFFAOYSA-N 0 3 350.890 3.492 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184984883 496612101 /nfs/dbraw/zinc/61/21/01/496612101.db2.gz LYKCPXWJUGSQCZ-GJZGRUSLSA-N 0 3 352.400 3.364 20 30 FGEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000164580278 496620631 /nfs/dbraw/zinc/62/06/31/496620631.db2.gz OKRVUMIVGRAZAX-VGSWGCGISA-N 0 3 369.509 3.093 20 30 FGEDHN NC(=O)C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000182081178 496661601 /nfs/dbraw/zinc/66/16/01/496661601.db2.gz MJKDXSSFILWSGL-QGZVFWFLSA-N 0 3 368.399 3.351 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000173374662 496664103 /nfs/dbraw/zinc/66/41/03/496664103.db2.gz KFTJHTLVHNOIAC-HNNXBMFYSA-N 0 3 354.458 3.048 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000188056440 496665598 /nfs/dbraw/zinc/66/55/98/496665598.db2.gz JMSFUNZQUIFUGA-FUHWJXTLSA-N 0 3 371.525 3.418 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]12 ZINC000273283575 496762930 /nfs/dbraw/zinc/76/29/30/496762930.db2.gz HHXXKLWYBVJUMZ-NZSAHSFTSA-N 0 3 371.481 3.324 20 30 FGEDHN CCOc1ccc(OC[C@@H](O)CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957103 496774099 /nfs/dbraw/zinc/77/40/99/496774099.db2.gz NBGOMHSREANYGQ-FQEVSTJZSA-N 0 3 366.461 3.361 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000188455071 496795974 /nfs/dbraw/zinc/79/59/74/496795974.db2.gz JMKOEKZZOBRODT-FQEVSTJZSA-N 0 3 358.486 3.443 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCCc2nc(C(=O)OCC)cs2)cc1 ZINC000191554850 496809236 /nfs/dbraw/zinc/80/92/36/496809236.db2.gz TUQBZZFOBVBTOQ-AWEZNQCLSA-N 0 3 358.463 3.225 20 30 FGEDHN C[C@H]1CN(CCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000277616430 496830337 /nfs/dbraw/zinc/83/03/37/496830337.db2.gz WUAQTFKMOQLGHR-INIZCTEOSA-N 0 3 358.486 3.110 20 30 FGEDHN C=CCC1(C(=O)NCc2ccccc2CN2CCN(CC)CC2)CCC1 ZINC000188641624 496862170 /nfs/dbraw/zinc/86/21/70/496862170.db2.gz SXPGCRJDQBOYRJ-UHFFFAOYSA-N 0 3 355.526 3.187 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCCCOC)Cc2ccccc2)CC1 ZINC000264337403 496875731 /nfs/dbraw/zinc/87/57/31/496875731.db2.gz HJXNWAGPZQDHOU-UHFFFAOYSA-N 0 3 359.514 3.275 20 30 FGEDHN COc1cc(-c2noc(-c3cccc(C#N)c3)n2)ccc1OCCN(C)C ZINC000273719525 496883938 /nfs/dbraw/zinc/88/39/38/496883938.db2.gz JHUIFJFXVCGSGQ-UHFFFAOYSA-N 0 3 364.405 3.224 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264618527 496945141 /nfs/dbraw/zinc/94/51/41/496945141.db2.gz RDDSSAKMZUCLFF-HXUWFJFHSA-N 0 3 368.525 3.110 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000192157385 497016636 /nfs/dbraw/zinc/01/66/36/497016636.db2.gz GGILFUVAQQJALS-MJGOQNOKSA-N 0 3 357.816 3.412 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000189277607 497067511 /nfs/dbraw/zinc/06/75/11/497067511.db2.gz ABPQQQZBQPRXQA-UHFFFAOYSA-N 0 3 350.875 3.172 20 30 FGEDHN CN1CCN(C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc2)CC1 ZINC000580982230 505882647 /nfs/dbraw/zinc/88/26/47/505882647.db2.gz SKKAUBMLJWALDC-PKTZIBPZSA-N 0 3 360.505 3.124 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000192316333 497071281 /nfs/dbraw/zinc/07/12/81/497071281.db2.gz BFMAEJZLFVQUAA-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000249018826 497149817 /nfs/dbraw/zinc/14/98/17/497149817.db2.gz KMFZSKGAEHPBGT-HOJAQTOUSA-N 0 3 372.852 3.071 20 30 FGEDHN C[C@@H](O)c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278593080 497160862 /nfs/dbraw/zinc/16/08/62/497160862.db2.gz HEKQMZSWRWVIAB-MRXNPFEDSA-N 0 3 361.449 3.202 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc3nnc(-c4ccsc4)n3n2)CC1 ZINC000274774144 497162076 /nfs/dbraw/zinc/16/20/76/497162076.db2.gz BVAGSUYTSBAPOK-UHFFFAOYSA-N 0 3 354.483 3.305 20 30 FGEDHN CC[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278693886 497191844 /nfs/dbraw/zinc/19/18/44/497191844.db2.gz KPMKGHFWOPKYOC-IBGZPJMESA-N 0 3 354.429 3.170 20 30 FGEDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192792547 497216102 /nfs/dbraw/zinc/21/61/02/497216102.db2.gz SLRKCACLLFFTTH-ZCNNSNEGSA-N 0 3 355.482 3.237 20 30 FGEDHN COc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1C#N ZINC000278856208 497245485 /nfs/dbraw/zinc/24/54/85/497245485.db2.gz KSUQREPFHCJHDI-UHFFFAOYSA-N 0 3 350.466 3.479 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000569301865 505900648 /nfs/dbraw/zinc/90/06/48/505900648.db2.gz MRDMAOGHDMZKDG-NJDAHSKKSA-N 0 3 366.509 3.485 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000275719434 497412486 /nfs/dbraw/zinc/41/24/86/497412486.db2.gz NZIFHZGUPMIRQR-UHFFFAOYSA-N 0 3 364.449 3.127 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccccc2F)CC1 ZINC000271802260 497455384 /nfs/dbraw/zinc/45/53/84/497455384.db2.gz KXSYSMUULPGWGJ-BEFAXECRSA-N 0 3 363.477 3.241 20 30 FGEDHN Cc1cccc2c1OC[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000581099818 505908995 /nfs/dbraw/zinc/90/89/95/505908995.db2.gz HTKVFSIHWIJJJO-HXUWFJFHSA-N 0 3 358.445 3.361 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1)CC(F)(F)F ZINC000267079121 497481201 /nfs/dbraw/zinc/48/12/01/497481201.db2.gz IYGMUFQKJISPPV-MRXNPFEDSA-N 0 3 355.404 3.295 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1)CC(F)(F)F ZINC000267079118 497481754 /nfs/dbraw/zinc/48/17/54/497481754.db2.gz IYGMUFQKJISPPV-INIZCTEOSA-N 0 3 355.404 3.295 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000575039908 505909703 /nfs/dbraw/zinc/90/97/03/505909703.db2.gz FPFLOXUDCAYQPY-DNVCBOLYSA-N 0 3 372.852 3.455 20 30 FGEDHN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271928410 497490464 /nfs/dbraw/zinc/49/04/64/497490464.db2.gz KARJGFLEFQNGIJ-CQSZACIVSA-N 0 3 355.413 3.015 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccccc1 ZINC000272126394 497543151 /nfs/dbraw/zinc/54/31/51/497543151.db2.gz UANNPYRUDBXRAX-SFHVURJKSA-N 0 3 368.485 3.310 20 30 FGEDHN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279945465 497598321 /nfs/dbraw/zinc/59/83/21/497598321.db2.gz GKUQNUMSPUQSMO-VHFSOBRXSA-N 0 3 365.408 3.272 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000194207469 497601972 /nfs/dbraw/zinc/60/19/72/497601972.db2.gz FZALSSFOKORGJY-SFHVURJKSA-N 0 3 366.440 3.019 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000246062116 497608391 /nfs/dbraw/zinc/60/83/91/497608391.db2.gz CQODSIMIRHJDTO-VQTJNVASSA-N 0 3 373.460 3.256 20 30 FGEDHN N#CC(C(=O)c1cccc(N2CCCNC2=O)c1)c1cnc2ccccc2n1 ZINC000190887743 497633957 /nfs/dbraw/zinc/63/39/57/497633957.db2.gz RMDFOJQEESTEKO-INIZCTEOSA-N 0 3 371.400 3.040 20 30 FGEDHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1[O-] ZINC000280062271 497635869 /nfs/dbraw/zinc/63/58/69/497635869.db2.gz KMPWRJYTDRQUJI-VQTJNVASSA-N 0 3 363.461 3.414 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000268154457 497687664 /nfs/dbraw/zinc/68/76/64/497687664.db2.gz FYSRAVGVEJGEID-NBYUQASBSA-N 0 3 369.509 3.342 20 30 FGEDHN CC(C)[C@H]1C[C@@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000272707809 497708282 /nfs/dbraw/zinc/70/82/82/497708282.db2.gz HQROERZRAWNKPB-GHTZIAJQSA-N 0 3 371.525 3.290 20 30 FGEDHN C[C@@H](CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1 ZINC000277288687 497795648 /nfs/dbraw/zinc/79/56/48/497795648.db2.gz RAIHUKHLXMDOEN-YWZLYKJASA-N 0 3 351.425 3.192 20 30 FGEDHN N#Cc1ccc(CN(CCC(N)=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000578407152 505931943 /nfs/dbraw/zinc/93/19/43/505931943.db2.gz TVSHDQVCBFWFKD-UHFFFAOYSA-N 0 3 361.367 3.455 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](CC3CC3)C2)cc1 ZINC000569429483 505932072 /nfs/dbraw/zinc/93/20/72/505932072.db2.gz CXZKFZXSDSJUGG-UKRRQHHQSA-N 0 3 361.467 3.026 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c2ccccc2)CC1 ZINC000329590613 497838206 /nfs/dbraw/zinc/83/82/06/497838206.db2.gz YMOZBCFASMAFPP-BURNTYAHSA-N 0 3 371.525 3.076 20 30 FGEDHN CC(C)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Nc1ccccc1 ZINC000280646735 497840532 /nfs/dbraw/zinc/84/05/32/497840532.db2.gz SCQKDQZRQKQAFD-FPOVZHCZSA-N 0 3 360.461 3.493 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3nncs3)cc2)CC1 ZINC000280661821 497847979 /nfs/dbraw/zinc/84/79/79/497847979.db2.gz BMBSXFVDVBMXQN-UHFFFAOYSA-N 0 3 357.483 3.367 20 30 FGEDHN CC[C@@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccccc1 ZINC000299565254 497849696 /nfs/dbraw/zinc/84/96/96/497849696.db2.gz JBNAFNPWTNLKBF-CYBMUJFWSA-O 0 3 357.455 3.030 20 30 FGEDHN CCCC(=O)N1CCCC[C@@H]1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000329709909 497875880 /nfs/dbraw/zinc/87/58/80/497875880.db2.gz LVWZKEPTACDTCL-LJQANCHMSA-N 0 3 371.525 3.223 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)[C@H]1OCCc2sccc21 ZINC000292117423 497884666 /nfs/dbraw/zinc/88/46/66/497884666.db2.gz ACIRWIHAJJYPRX-BFUOFWGJSA-N 0 3 358.463 3.299 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)CN1Cc1ccccc1 ZINC000329751813 497889718 /nfs/dbraw/zinc/88/97/18/497889718.db2.gz JECAOQWMZNFFQI-MYKSZAICSA-N 0 3 357.498 3.111 20 30 FGEDHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC000329754860 497890971 /nfs/dbraw/zinc/89/09/71/497890971.db2.gz XPBAAQXVQTYSRI-AZUAARDMSA-N 0 3 362.445 3.052 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296090152 497916548 /nfs/dbraw/zinc/91/65/48/497916548.db2.gz HKSUWNUXTIRYJP-CFGMGRTJSA-N 0 3 373.522 3.422 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000572350142 505947375 /nfs/dbraw/zinc/94/73/75/505947375.db2.gz RBTSUJROHHAZMT-MSOLQXFVSA-N 0 3 351.425 3.293 20 30 FGEDHN Cc1[nH]c2ccc(CNC[C@H](O)COc3ccc(CC#N)cc3)cc2c1C ZINC000575248106 505950723 /nfs/dbraw/zinc/95/07/23/505950723.db2.gz AYBFGEKNRFYNAB-IBGZPJMESA-N 0 3 363.461 3.380 20 30 FGEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN(CC2CC2)CC1 ZINC000301090431 497946294 /nfs/dbraw/zinc/94/62/94/497946294.db2.gz NTOLOVTZZCQYQC-UHFFFAOYSA-N 0 3 358.392 3.240 20 30 FGEDHN COCc1nccc([C@@H]2CCCN(CCCOc3cccc(C#N)c3)C2)n1 ZINC000364441465 497960402 /nfs/dbraw/zinc/96/04/02/497960402.db2.gz GZMWPNHLGHNWRS-GOSISDBHSA-N 0 3 366.465 3.143 20 30 FGEDHN C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CCN(C2CCC2)C1 ZINC000292407150 498003225 /nfs/dbraw/zinc/00/32/25/498003225.db2.gz OYCBTTWVTKKTGF-GOSISDBHSA-N 0 3 369.509 3.440 20 30 FGEDHN C#CCNC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)N2CCCC2)nc1 ZINC000301221526 498005123 /nfs/dbraw/zinc/00/51/23/498005123.db2.gz BOWQZGIZGFSYLO-HXUWFJFHSA-N 0 3 362.477 3.002 20 30 FGEDHN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)NC1CCN(C2CC2)CC1 ZINC000330156026 498043215 /nfs/dbraw/zinc/04/32/15/498043215.db2.gz OKJGZDPZTNRMGX-UHFFFAOYSA-N 0 3 359.861 3.478 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1C ZINC000296444383 498045926 /nfs/dbraw/zinc/04/59/26/498045926.db2.gz WRFQLTBKGJQNJI-WMQCIHAUSA-N 0 3 367.493 3.097 20 30 FGEDHN CC[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1C[C@@H](C)O ZINC000301402266 498094739 /nfs/dbraw/zinc/09/47/39/498094739.db2.gz JKJSOQGJJRGTJS-CZUORRHYSA-N 0 3 358.873 3.041 20 30 FGEDHN N#CC1(CCCN2CCC(Oc3cncc(Cl)n3)CC2)CCOCC1 ZINC000281327710 498107179 /nfs/dbraw/zinc/10/71/79/498107179.db2.gz LQJGEMSTLBVIHH-UHFFFAOYSA-N 0 3 364.877 3.074 20 30 FGEDHN Cc1nsc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000578615400 505981324 /nfs/dbraw/zinc/98/13/24/505981324.db2.gz QCTPSZJJJCUZOW-OAHLLOKOSA-N 0 3 355.467 3.061 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)CCN1C ZINC000330409876 498127634 /nfs/dbraw/zinc/12/76/34/498127634.db2.gz QUDZSPYNUNTWMQ-YPMHNXCESA-N 0 3 352.866 3.234 20 30 FGEDHN CCC[C@@H](C)C(=O)NCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000292770807 498139973 /nfs/dbraw/zinc/13/99/73/498139973.db2.gz SQDITKXHPWTVBO-QGZVFWFLSA-N 0 3 367.497 3.106 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000296729304 498172476 /nfs/dbraw/zinc/17/24/76/498172476.db2.gz GMAUQCSBRWUFBR-FFZOFVMBSA-N 0 3 354.498 3.279 20 30 FGEDHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1CN(C)C ZINC000330927336 498218881 /nfs/dbraw/zinc/21/88/81/498218881.db2.gz JYZRPMLIMZMHFS-NWDGAFQWSA-N 0 3 372.296 3.239 20 30 FGEDHN CC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c(Cl)c1 ZINC000331229469 498280153 /nfs/dbraw/zinc/28/01/53/498280153.db2.gz COUHAKZBPXYJKE-RISCZKNCSA-N 0 3 352.866 3.258 20 30 FGEDHN CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000331338560 498304752 /nfs/dbraw/zinc/30/47/52/498304752.db2.gz VZDTXLZSPZJEJO-KRWDZBQOSA-N 0 3 360.502 3.135 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000301941608 498338117 /nfs/dbraw/zinc/33/81/17/498338117.db2.gz UZOFULOCCZJPOY-UHFFFAOYSA-N 0 3 351.410 3.214 20 30 FGEDHN N#Cc1ccc2nc(NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)ccc2c1 ZINC000301965341 498346675 /nfs/dbraw/zinc/34/66/75/498346675.db2.gz XDIUJURMWLEKKM-PMACEKPBSA-N 0 3 358.445 3.154 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000289920008 498353194 /nfs/dbraw/zinc/35/31/94/498353194.db2.gz VBSVVKPMGFLATC-WBMJQRKESA-N 0 3 361.467 3.025 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290142140 498440035 /nfs/dbraw/zinc/44/00/35/498440035.db2.gz MTYPJYZWONUVBF-FXAWDEMLSA-N 0 3 354.494 3.259 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000365404746 498448679 /nfs/dbraw/zinc/44/86/79/498448679.db2.gz TVQVISYFXRCXEQ-IRXDYDNUSA-N 0 3 350.447 3.103 20 30 FGEDHN COc1cc([C@@H](C)NCCOCCC#N)ccc1OCc1ccncc1 ZINC000293723664 498467404 /nfs/dbraw/zinc/46/74/04/498467404.db2.gz FXASYFRQZAXZPX-MRXNPFEDSA-N 0 3 355.438 3.250 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000578860610 506038670 /nfs/dbraw/zinc/03/86/70/506038670.db2.gz YIPUAMCEVUDOJF-NHCUHLMSSA-N 0 3 371.912 3.420 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000569925666 506049407 /nfs/dbraw/zinc/04/94/07/506049407.db2.gz QAIHBXSHMQYGIR-SUMWQHHRSA-N 0 3 355.467 3.219 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000302781972 498572433 /nfs/dbraw/zinc/57/24/33/498572433.db2.gz JXACNDPEHFULET-LJQANCHMSA-N 0 3 366.421 3.169 20 30 FGEDHN CCN1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000332326348 498650330 /nfs/dbraw/zinc/65/03/30/498650330.db2.gz PUQNWBAJDTZJPJ-UHFFFAOYSA-N 0 3 356.348 3.016 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H](C)CC2)cc1 ZINC000332370933 498666022 /nfs/dbraw/zinc/66/60/22/498666022.db2.gz YJSLTOPQQMLHGR-ILXRZTDVSA-N 0 3 363.483 3.463 20 30 FGEDHN N#Cc1ccc(OCCN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000298204571 498694615 /nfs/dbraw/zinc/69/46/15/498694615.db2.gz IHDRUXCRDUTHAY-SFHVURJKSA-N 0 3 365.481 3.135 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(C)(OCC)CC2)c(OC)c1 ZINC000298235544 498704267 /nfs/dbraw/zinc/70/42/67/498704267.db2.gz IDMUKYNWHPNLTP-GOSISDBHSA-N 0 3 363.498 3.054 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCC[C@H](CO)C2)c1 ZINC000363346909 498773740 /nfs/dbraw/zinc/77/37/40/498773740.db2.gz ABLFRZCXNOOKHX-MOPGFXCFSA-N 0 3 357.498 3.033 20 30 FGEDHN C=CCOc1ccc(CNCC2(OCCOC)CCOCC2)cc1Cl ZINC000294754737 498793543 /nfs/dbraw/zinc/79/35/43/498793543.db2.gz IMHGXZWANHDPIN-UHFFFAOYSA-N 0 3 369.889 3.207 20 30 FGEDHN C=CCOc1ccc(CC(=O)Nc2ccnn2C2CCN(CC)CC2)cc1 ZINC000294761247 498796845 /nfs/dbraw/zinc/79/68/45/498796845.db2.gz ZSDSBJFJXDYEMW-UHFFFAOYSA-N 0 3 368.481 3.286 20 30 FGEDHN CCn1cc([C@@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000298539225 498806396 /nfs/dbraw/zinc/80/63/96/498806396.db2.gz XGDOHOZFWGMCAI-GFCCVEGCSA-N 0 3 357.483 3.004 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000581967301 506102025 /nfs/dbraw/zinc/10/20/25/506102025.db2.gz MYQAJAIOJPSMAX-AUUYWEPGSA-N 0 3 352.413 3.482 20 30 FGEDHN C#CCCOc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000294958071 498863237 /nfs/dbraw/zinc/86/32/37/498863237.db2.gz OTOCFPGJGQVREN-UHFFFAOYSA-N 0 3 366.461 3.418 20 30 FGEDHN CCO[C@@H]1C[C@H](NCC(=O)N[C@@H]2CCOc3ccccc32)C12CCOCC2 ZINC000328647759 498887788 /nfs/dbraw/zinc/88/77/88/498887788.db2.gz HRZKUVXBUIVXOW-NZSAHSFTSA-N 0 3 374.481 3.031 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000363580461 498888880 /nfs/dbraw/zinc/88/88/80/498888880.db2.gz PSIZHBAVEHHDSG-FQEVSTJZSA-N 0 3 350.466 3.121 20 30 FGEDHN CN1CCC(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)CC1 ZINC000328651216 498889821 /nfs/dbraw/zinc/88/98/21/498889821.db2.gz BIFRSCHBSNUAIF-HKUYNNGSSA-N 0 3 372.444 3.140 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCC(C(=O)Nc2cnccn2)CC1 ZINC000366360310 498890994 /nfs/dbraw/zinc/89/09/94/498890994.db2.gz CSIDOUPRJVHBGP-UHFFFAOYSA-N 0 3 363.465 3.128 20 30 FGEDHN Cc1ccc2c(c1)nc(CNC(=O)N1CCC[C@H]1CN1CCCCC1)n2C ZINC000328720577 498913654 /nfs/dbraw/zinc/91/36/54/498913654.db2.gz WGGUIMQVHGECFY-KRWDZBQOSA-N 0 3 369.513 3.246 20 30 FGEDHN Cc1c(C(=O)NCCN2CCN(C)C(C)(C)C2)cnn1C1CCCCC1 ZINC000328721844 498914902 /nfs/dbraw/zinc/91/49/02/498914902.db2.gz RNPHTZUCIKOMEW-UHFFFAOYSA-N 0 3 361.534 3.027 20 30 FGEDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000328815387 498947381 /nfs/dbraw/zinc/94/73/81/498947381.db2.gz PNWQAVNYAPAXJF-ROUUACIJSA-N 0 3 355.482 3.009 20 30 FGEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(Br)cc1C#N ZINC000295283839 498966038 /nfs/dbraw/zinc/96/60/38/498966038.db2.gz IRDZUAIIGDHHAV-WFASDCNBSA-N 0 3 362.271 3.020 20 30 FGEDHN C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000288214157 498969497 /nfs/dbraw/zinc/96/94/97/498969497.db2.gz RRSXJTFOAOQZPE-JXFKEZNVSA-N 0 3 350.466 3.391 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000328899593 498978791 /nfs/dbraw/zinc/97/87/91/498978791.db2.gz YZWXRQLMBMVBOV-GASCZTMLSA-N 0 3 359.470 3.092 20 30 FGEDHN Cn1ccc2ccc(NC(=O)N3CCN(CCC(C)(C)C)CC3)cc2c1=O ZINC000329082486 499037165 /nfs/dbraw/zinc/03/71/65/499037165.db2.gz SDBPHNQJUYKFFH-UHFFFAOYSA-N 0 3 370.497 3.138 20 30 FGEDHN CN1CCC2(CCCN2C(=O)NCc2nnc(-c3ccccc3)s2)CC1 ZINC000329087278 499038565 /nfs/dbraw/zinc/03/85/65/499038565.db2.gz VFDMMSSGZDKVKZ-UHFFFAOYSA-N 0 3 371.510 3.179 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CCO1 ZINC000329097559 499040893 /nfs/dbraw/zinc/04/08/93/499040893.db2.gz LRAWFPYNHPQVKN-DLTWYDFYSA-N 0 3 351.516 3.202 20 30 FGEDHN COCCn1ncc2c1[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000363908001 499048776 /nfs/dbraw/zinc/04/87/76/499048776.db2.gz KILWXTMEIHYICG-BEFAXECRSA-N 0 3 354.454 3.160 20 30 FGEDHN CN1CCC[C@H]1CNC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000329246015 499083434 /nfs/dbraw/zinc/08/34/34/499083434.db2.gz QVKUDGMEKNEXKQ-INIZCTEOSA-N 0 3 358.461 3.495 20 30 FGEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000329281099 499090518 /nfs/dbraw/zinc/09/05/18/499090518.db2.gz KOLBTQDIABSAPF-INIZCTEOSA-N 0 3 365.408 3.410 20 30 FGEDHN CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@@H]1c1cccs1 ZINC000329283457 499090739 /nfs/dbraw/zinc/09/07/39/499090739.db2.gz NJEJFFMQPWFMCF-GUIRCDHDSA-N 0 3 351.472 3.170 20 30 FGEDHN O=C(Nc1nc(C2CCOCC2)cs1)N1CC[C@@H](N2CCCCC2)C1 ZINC000329405347 499116117 /nfs/dbraw/zinc/11/61/17/499116117.db2.gz BQXDLWIJSOSTFV-OAHLLOKOSA-N 0 3 364.515 3.143 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)no1 ZINC000329413584 499117841 /nfs/dbraw/zinc/11/78/41/499117841.db2.gz YOQLANKVWSGPON-IRXDYDNUSA-N 0 3 357.458 3.040 20 30 FGEDHN CN1CC[C@]2(CCN(C(=O)C3CCC(NC(=O)C4CCCC4)CC3)C2)C1 ZINC000329428159 499120261 /nfs/dbraw/zinc/12/02/61/499120261.db2.gz GXZZJCWSXJPRIR-NGICGMGXSA-N 0 3 361.530 3.246 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000329457196 499124269 /nfs/dbraw/zinc/12/42/69/499124269.db2.gz QNZAERBZKXROQQ-DOTOQJQBSA-N 0 3 374.533 3.101 20 30 FGEDHN C[C@H](NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)C1=CCN(C)CC1 ZINC000329524444 499129170 /nfs/dbraw/zinc/12/91/70/499129170.db2.gz SETDBSHMBXLAKG-KKSFZXQISA-N 0 3 355.482 3.288 20 30 FGEDHN Cc1ccn2c(c1)nnc2C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000369812518 499132449 /nfs/dbraw/zinc/13/24/49/499132449.db2.gz AMHPOHJCNRBWCA-UHFFFAOYSA-N 0 3 361.449 3.168 20 30 FGEDHN CC(C)(C#N)CCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000367226625 499164599 /nfs/dbraw/zinc/16/45/99/499164599.db2.gz XEEBPESJCZUYEE-NRFANRHFSA-N 0 3 354.542 3.208 20 30 FGEDHN N#CCOc1ccccc1C(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000370221934 499198804 /nfs/dbraw/zinc/19/88/04/499198804.db2.gz WTXRUIPPCDEFBD-IBGZPJMESA-N 0 3 363.461 3.026 20 30 FGEDHN Cn1cc(CN2CC[C@H](c3nc(C4CC4)no3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000367477490 499203860 /nfs/dbraw/zinc/20/38/60/499203860.db2.gz PHGBZPQBRHCHPQ-KRWDZBQOSA-N 0 3 374.448 3.209 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367530270 499209459 /nfs/dbraw/zinc/20/94/59/499209459.db2.gz CCPCICWEQBCTCK-MSOLQXFVSA-N 0 3 369.490 3.046 20 30 FGEDHN N#CC1(c2ccc(C(=O)N[C@@H]3[C@H]4CN(Cc5ccccc5)C[C@H]43)cc2)CC1 ZINC000367612206 499217573 /nfs/dbraw/zinc/21/75/73/499217573.db2.gz LIVWJTZVMFVYIY-AERCQKQUSA-N 0 3 357.457 3.102 20 30 FGEDHN N#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)nc1Cl ZINC000368538617 499305704 /nfs/dbraw/zinc/30/57/04/499305704.db2.gz MKAIKCJSFSJHBN-UHFFFAOYSA-N 0 3 354.841 3.001 20 30 FGEDHN CC(=O)N1CC[C@@H](NCCOc2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000368635301 499316041 /nfs/dbraw/zinc/31/60/41/499316041.db2.gz PFCHAAJMCMOEST-OAQYLSRUSA-N 0 3 367.424 3.159 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2)cc1 ZINC000371423303 499324738 /nfs/dbraw/zinc/32/47/38/499324738.db2.gz YDPIITCWKOWIGO-IMFGXOCKSA-N 0 3 369.509 3.446 20 30 FGEDHN N#Cc1ccccc1/C=C/C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368801295 499334370 /nfs/dbraw/zinc/33/43/70/499334370.db2.gz APGRGYJFBSKUFG-BQYQJAHWSA-N 0 3 351.475 3.414 20 30 FGEDHN COCCn1ncc2c1[C@H](NCc1ccc(N(C)CCC#N)cc1)CCC2 ZINC000368840928 499338175 /nfs/dbraw/zinc/33/81/75/499338175.db2.gz BRBSBKUCQNKYLI-HXUWFJFHSA-N 0 3 367.497 3.047 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000369080397 499363648 /nfs/dbraw/zinc/36/36/48/499363648.db2.gz DYQIHKJAYPJUCF-OAQYLSRUSA-N 0 3 364.493 3.463 20 30 FGEDHN COCC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000369137531 499369581 /nfs/dbraw/zinc/36/95/81/499369581.db2.gz NXMAODGUFKHFNB-OAQYLSRUSA-N 0 3 369.509 3.188 20 30 FGEDHN COC(=O)[C@H]1CN(CCCC(C)(C)C#N)C[C@@H]1c1ccc(F)cc1F ZINC000371846017 499371033 /nfs/dbraw/zinc/37/10/33/499371033.db2.gz LFQJTKQJERXMCR-CVEARBPZSA-N 0 3 350.409 3.483 20 30 FGEDHN C[C@H](N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)s1 ZINC000369225395 499379835 /nfs/dbraw/zinc/37/98/35/499379835.db2.gz IVSIGFKUCYKQSJ-GOEBONIOSA-N 0 3 363.490 3.468 20 30 FGEDHN CCN([C@H]1CCOC(C)(C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582150722 506144792 /nfs/dbraw/zinc/14/47/92/506144792.db2.gz OXVLJTOFQOALMK-OALUTQOASA-N 0 3 355.482 3.333 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2cc3ccccc3o2)c2ccncc2)CC1 ZINC000369323123 499391250 /nfs/dbraw/zinc/39/12/50/499391250.db2.gz IZMSHMQWGOLLMI-QFIPXVFZSA-N 0 3 373.456 3.379 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCC3(CCOCC3)CC2)cc1 ZINC000369378158 499397546 /nfs/dbraw/zinc/39/75/46/499397546.db2.gz DYFINQHTQFDZNL-SFHVURJKSA-N 0 3 351.450 3.096 20 30 FGEDHN N#C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000372225156 499410675 /nfs/dbraw/zinc/41/06/75/499410675.db2.gz DEBWGQTVLHUDCY-WAIKUNEKSA-N 0 3 369.424 3.391 20 30 FGEDHN N#C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000372225156 499410676 /nfs/dbraw/zinc/41/06/76/499410676.db2.gz DEBWGQTVLHUDCY-WAIKUNEKSA-N 0 3 369.424 3.391 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1OCCCC#N ZINC000369683710 499436190 /nfs/dbraw/zinc/43/61/90/499436190.db2.gz OEWSTVFDRIALAH-GOSISDBHSA-N 0 3 368.481 3.491 20 30 FGEDHN COc1ccc([C@@H]2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000373407735 499467981 /nfs/dbraw/zinc/46/79/81/499467981.db2.gz ZTOJOMCKNNVQSQ-UXHICEINSA-N 0 3 359.429 3.265 20 30 FGEDHN Cc1cc(C)nc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000373583483 499478095 /nfs/dbraw/zinc/47/80/95/499478095.db2.gz ZFJBNMSEKHRWHX-HXUWFJFHSA-N 0 3 373.460 3.054 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)cc1 ZINC000373602924 499479310 /nfs/dbraw/zinc/47/93/10/499479310.db2.gz HKYKQENZNDJWKX-NRFANRHFSA-N 0 3 357.498 3.196 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(OC)cc3[C@H](C)C2)CC1 ZINC000378228209 499492087 /nfs/dbraw/zinc/49/20/87/499492087.db2.gz JIUSPFFYUIDPGK-MRXNPFEDSA-N 0 3 357.498 3.017 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000375682142 499544925 /nfs/dbraw/zinc/54/49/25/499544925.db2.gz CXZHXGDXRMKBFY-QGZVFWFLSA-N 0 3 354.413 3.307 20 30 FGEDHN N#Cc1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1F ZINC000404061644 499569767 /nfs/dbraw/zinc/56/97/67/499569767.db2.gz IHPRQDZURBWULY-VXKWHMMOSA-N 0 3 365.452 3.173 20 30 FGEDHN N#Cc1cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1F ZINC000376076442 499581163 /nfs/dbraw/zinc/58/11/63/499581163.db2.gz QMKPKVSEYGPJOA-UHFFFAOYSA-N 0 3 369.362 3.232 20 30 FGEDHN N#Cc1cc(NC2CCN(Cc3ccsc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000376224726 499592253 /nfs/dbraw/zinc/59/22/53/499592253.db2.gz BSTDSWXIEVPARY-UHFFFAOYSA-N 0 3 357.439 3.187 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000409450723 499597801 /nfs/dbraw/zinc/59/78/01/499597801.db2.gz ZUHHRHUHHXRJTN-MRXNPFEDSA-N 0 3 353.388 3.322 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCCn3c(cc4ccccc43)C2)CC1 ZINC000376753724 499633614 /nfs/dbraw/zinc/63/36/14/499633614.db2.gz CKUMWWXSZIVGOE-UHFFFAOYSA-N 0 3 352.482 3.207 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(F)cc(F)c1)C(C)C ZINC000410162984 499646130 /nfs/dbraw/zinc/64/61/30/499646130.db2.gz CNBSNGLECBGKOU-GOSISDBHSA-N 0 3 351.441 3.463 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CC2)OCc2ccccc23)cc1 ZINC000377066661 499658623 /nfs/dbraw/zinc/65/86/23/499658623.db2.gz JLHDEBWNXDYSPK-HXUWFJFHSA-N 0 3 371.440 3.289 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2O1 ZINC000377092815 499661342 /nfs/dbraw/zinc/66/13/42/499661342.db2.gz IQHHMYXMSPOYLM-SFHVURJKSA-N 0 3 363.461 3.457 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2O1 ZINC000377093512 499661516 /nfs/dbraw/zinc/66/15/16/499661516.db2.gz KWJCXFINLLJKGA-MOPGFXCFSA-N 0 3 363.461 3.430 20 30 FGEDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(C#N)c2)CC1 ZINC000579366467 506157185 /nfs/dbraw/zinc/15/71/85/506157185.db2.gz ZPLLNQVOXPVKGP-AWEZNQCLSA-N 0 3 364.405 3.462 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn2ccc(Br)cc2n1 ZINC000576436508 506157756 /nfs/dbraw/zinc/15/77/56/506157756.db2.gz VLNSSBAABGSEJW-LRDDRELGSA-N 0 3 350.260 3.168 20 30 FGEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411647749 499772765 /nfs/dbraw/zinc/77/27/65/499772765.db2.gz YIKBXQPVNCSGDI-HXUWFJFHSA-N 0 3 351.450 3.236 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000411738699 499784885 /nfs/dbraw/zinc/78/48/85/499784885.db2.gz MBSPNTTVSHOOBF-SFHVURJKSA-N 0 3 357.841 3.254 20 30 FGEDHN COc1cc([C@@H](C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)ccn1 ZINC000411742400 499785070 /nfs/dbraw/zinc/78/50/70/499785070.db2.gz QVGQJNCEMSIWAW-GFCCVEGCSA-N 0 3 358.829 3.295 20 30 FGEDHN CO[C@](C)([C@H](C)NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000411939339 499804699 /nfs/dbraw/zinc/80/46/99/499804699.db2.gz FKUDIGOYFMCQET-LAUBAEHRSA-N 0 3 357.498 3.343 20 30 FGEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000414560855 499809615 /nfs/dbraw/zinc/80/96/15/499809615.db2.gz RNLBJCIFHMQSBJ-FQEVSTJZSA-N 0 3 360.454 3.153 20 30 FGEDHN COC1([C@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCC1 ZINC000412021409 499813482 /nfs/dbraw/zinc/81/34/82/499813482.db2.gz MNTOIIUWHMOKLU-GJZGRUSLSA-N 0 3 361.511 3.424 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC2(c3c(F)cccc3F)CCC2)CC1 ZINC000413245586 499931790 /nfs/dbraw/zinc/93/17/90/499931790.db2.gz SGVKMHICMYVBOH-UHFFFAOYSA-N 0 3 363.452 3.336 20 30 FGEDHN COCCOc1ccc(C#N)cc1NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416195611 499977331 /nfs/dbraw/zinc/97/73/31/499977331.db2.gz GAKZGIKRAKRTPY-IBGZPJMESA-N 0 3 367.449 3.215 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000413609658 500002714 /nfs/dbraw/zinc/00/27/14/500002714.db2.gz BXMGLNFHCUPGGM-LEWJYISDSA-N 0 3 368.525 3.458 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425056843 500007696 /nfs/dbraw/zinc/00/76/96/500007696.db2.gz LGJFZIQEPNVRKA-XJKSGUPXSA-N 0 3 368.399 3.436 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000425130030 500027076 /nfs/dbraw/zinc/02/70/76/500027076.db2.gz MVVVKDLNIBXKDK-KRWDZBQOSA-N 0 3 355.482 3.113 20 30 FGEDHN C[C@@H]1CN(c2cccc(F)c2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000429241847 500032157 /nfs/dbraw/zinc/03/21/57/500032157.db2.gz NWUAWBVBMIHEKU-MRXNPFEDSA-N 0 3 366.440 3.237 20 30 FGEDHN COc1ccc([C@@H](CNc2ncc3c(c2C#N)CCC3)N(C)C)cc1OC ZINC000425206730 500043987 /nfs/dbraw/zinc/04/39/87/500043987.db2.gz YOWFGHFEJJRYLT-GOSISDBHSA-N 0 3 366.465 3.174 20 30 FGEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000413769650 500052498 /nfs/dbraw/zinc/05/24/98/500052498.db2.gz KQYJELAGBNPBCE-AWEZNQCLSA-N 0 3 370.419 3.220 20 30 FGEDHN C[C@H]1CCCCN1CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429718676 500130460 /nfs/dbraw/zinc/13/04/60/500130460.db2.gz SSZUCRYXEMFUKW-KRWDZBQOSA-N 0 3 365.481 3.068 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C12CCCCC2 ZINC000429776190 500142870 /nfs/dbraw/zinc/14/28/70/500142870.db2.gz RRWAWPFLVROIMK-QZTJIDSGSA-N 0 3 361.530 3.389 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000425664748 500174369 /nfs/dbraw/zinc/17/43/69/500174369.db2.gz UUHXCCROFLXJAS-LAUBAEHRSA-N 0 3 364.493 3.434 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)CC)cc1OCC ZINC000422093828 500214111 /nfs/dbraw/zinc/21/41/11/500214111.db2.gz ZBXNFPGGZJJGMM-ZDUSSCGKSA-N 0 3 358.276 3.273 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)s2)N(C)C)cc1 ZINC000422200321 500232853 /nfs/dbraw/zinc/23/28/53/500232853.db2.gz CHYGUSSTBUMRIV-QGZVFWFLSA-N 0 3 374.535 3.444 20 30 FGEDHN C[C@H]1CN(CCC2CCN(Cc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 ZINC000426814910 500324378 /nfs/dbraw/zinc/32/43/78/500324378.db2.gz IUZVVRJFNCCLFN-IRXDYDNUSA-N 0 3 359.489 3.409 20 30 FGEDHN N#Cc1ccc([C@H](NCC[C@H](c2ccccc2)C(F)(F)F)C(N)=O)cc1 ZINC000419164577 500342303 /nfs/dbraw/zinc/34/23/03/500342303.db2.gz AABPYBGOLLEWMU-SJORKVTESA-N 0 3 361.367 3.410 20 30 FGEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000431839146 500432104 /nfs/dbraw/zinc/43/21/04/500432104.db2.gz BHPWZPKVYSEGGB-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000424084673 500450279 /nfs/dbraw/zinc/45/02/79/500450279.db2.gz AANYZYOKUCJIKR-INIZCTEOSA-N 0 3 350.422 3.207 20 30 FGEDHN COCCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000424092938 500451832 /nfs/dbraw/zinc/45/18/32/500451832.db2.gz IHQPKFXUHWJYGD-BBRMVZONSA-N 0 3 371.403 3.263 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000424114305 500456022 /nfs/dbraw/zinc/45/60/22/500456022.db2.gz QZOZAOMWYNUGAF-GJZGRUSLSA-N 0 3 354.479 3.375 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000424124658 500457921 /nfs/dbraw/zinc/45/79/21/500457921.db2.gz MJUGABNZGQTMPJ-NSHDSACASA-N 0 3 366.195 3.232 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000424144435 500460261 /nfs/dbraw/zinc/46/02/61/500460261.db2.gz SFBOGZPDDGBPTM-TZIWHRDSSA-N 0 3 363.461 3.238 20 30 FGEDHN N#Cc1cncc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000420578622 500474150 /nfs/dbraw/zinc/47/41/50/500474150.db2.gz DIYMQPFQRDTKPQ-UHFFFAOYSA-N 0 3 361.371 3.079 20 30 FGEDHN N#Cc1cscc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000432400841 500510745 /nfs/dbraw/zinc/51/07/45/500510745.db2.gz MYXXIFDNQKXHME-UHFFFAOYSA-N 0 3 357.504 3.463 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000424506880 500511550 /nfs/dbraw/zinc/51/15/50/500511550.db2.gz IFKZBOFGLVFCGV-GIWBLDEGSA-N 0 3 368.521 3.482 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CSCCN2Cc2ccccc2)c(F)c1 ZINC000428558142 500527288 /nfs/dbraw/zinc/52/72/88/500527288.db2.gz LTIMGPKLFSQHDX-IBGZPJMESA-N 0 3 355.482 3.405 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(F)(F)[C@@H](C)C2)c(OC)c1 ZINC000573487474 506202934 /nfs/dbraw/zinc/20/29/34/506202934.db2.gz AHFLNMOVRKWJTD-GOEBONIOSA-N 0 3 355.425 3.141 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421084032 500570546 /nfs/dbraw/zinc/57/05/46/500570546.db2.gz ONCXBCDNAOZIBY-LJQANCHMSA-N 0 3 370.497 3.059 20 30 FGEDHN C[C@H]1CN(CCCNc2ccc(C#N)cc2Br)CCCO1 ZINC000432866470 500580559 /nfs/dbraw/zinc/58/05/59/500580559.db2.gz OYNPXUGYRKPFQR-ZDUSSCGKSA-N 0 3 352.276 3.234 20 30 FGEDHN COc1cccc(C2(NCCOc3ccc(C#N)cc3)CCOCC2)c1F ZINC000447368953 500596594 /nfs/dbraw/zinc/59/65/94/500596594.db2.gz ZLGCVERPWWCZJH-UHFFFAOYSA-N 0 3 370.424 3.380 20 30 FGEDHN N#CCCC[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000433012097 500606201 /nfs/dbraw/zinc/60/62/01/500606201.db2.gz IOADFUAKCVGMBH-SFHVURJKSA-N 0 3 365.433 3.056 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433015433 500606792 /nfs/dbraw/zinc/60/67/92/500606792.db2.gz KISAUORPDCSRQP-NEWSRXKRSA-N 0 3 370.497 3.416 20 30 FGEDHN COc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1C#N ZINC000442818328 500630029 /nfs/dbraw/zinc/63/00/29/500630029.db2.gz GIFMRQADYGNUMT-UHFFFAOYSA-N 0 3 360.461 3.146 20 30 FGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000442832375 500632551 /nfs/dbraw/zinc/63/25/51/500632551.db2.gz BCXINKHDNJZSIC-VHDGCEQUSA-N 0 3 351.372 3.088 20 30 FGEDHN Cc1cccc(S(=O)(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1C#N ZINC000443073574 500675456 /nfs/dbraw/zinc/67/54/56/500675456.db2.gz CVRHKLQYRRPSSW-MRXNPFEDSA-N 0 3 371.506 3.274 20 30 FGEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000433357087 500679520 /nfs/dbraw/zinc/67/95/20/500679520.db2.gz WJWIBZFUMVDNDS-ICSRJNTNSA-N 0 3 361.445 3.023 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433452094 500695895 /nfs/dbraw/zinc/69/58/95/500695895.db2.gz UCQFIKJWNKSXCF-GOSISDBHSA-N 0 3 351.535 3.265 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000437930535 500718491 /nfs/dbraw/zinc/71/84/91/500718491.db2.gz JHCUBWAXOZGCSX-OALUTQOASA-N 0 3 359.514 3.177 20 30 FGEDHN N#Cc1nc(NC[C@H](c2ccco2)N2CCCC2)ccc1C(F)(F)F ZINC000443406158 500720065 /nfs/dbraw/zinc/72/00/65/500720065.db2.gz DGJOSQHBUTVFGS-CQSZACIVSA-N 0 3 350.344 3.236 20 30 FGEDHN CN(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1cccc(F)c1 ZINC000443413324 500721751 /nfs/dbraw/zinc/72/17/51/500721751.db2.gz ZDSXCHZXMWGCSF-HNNXBMFYSA-N 0 3 352.335 3.248 20 30 FGEDHN Cc1cc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1C#N ZINC000443966445 500785092 /nfs/dbraw/zinc/78/50/92/500785092.db2.gz YAMWXBLSBNQCIE-NRFANRHFSA-N 0 3 353.441 3.169 20 30 FGEDHN COc1cc2c(cc1OC)CN(CCNCc1ccc(C#N)c(C)c1)CC2 ZINC000443967232 500785144 /nfs/dbraw/zinc/78/51/44/500785144.db2.gz CONCGAAFLXTIJO-UHFFFAOYSA-N 0 3 365.477 3.032 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000438446779 500786426 /nfs/dbraw/zinc/78/64/26/500786426.db2.gz GELNSRYWRNOVAC-HBMCJLEFSA-N 0 3 371.525 3.274 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](OC(F)F)C2)cc1Cl ZINC000611577352 506221116 /nfs/dbraw/zinc/22/11/16/506221116.db2.gz IAAMGZQADCGDCL-CYBMUJFWSA-N 0 3 357.788 3.244 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000444638749 500871438 /nfs/dbraw/zinc/87/14/38/500871438.db2.gz LSNKBJLVQRWIAF-GOSISDBHSA-N 0 3 373.497 3.268 20 30 FGEDHN N#CC(CCN1CCC[C@]2(CNC(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000444661048 500874554 /nfs/dbraw/zinc/87/45/54/500874554.db2.gz KVBDZLWMMXHDTQ-QHCPKHFHSA-N 0 3 373.500 3.488 20 30 FGEDHN CCOC(=O)c1cc(CNCCSCc2ccccc2C#N)[nH]c1C ZINC000449059803 500914430 /nfs/dbraw/zinc/91/44/30/500914430.db2.gz CTIPMNNFONTFCQ-UHFFFAOYSA-N 0 3 357.479 3.395 20 30 FGEDHN CC1CCC(N2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)CC1 ZINC000435025193 500923682 /nfs/dbraw/zinc/92/36/82/500923682.db2.gz VNASPIINRAMVTQ-UHFFFAOYSA-N 0 3 351.494 3.313 20 30 FGEDHN CC1(C)CCCN(CCNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000445156434 500949897 /nfs/dbraw/zinc/94/98/97/500949897.db2.gz IXITVOJHHBRTCT-UHFFFAOYSA-N 0 3 359.474 3.008 20 30 FGEDHN C[C@H](CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000449285426 500966699 /nfs/dbraw/zinc/96/66/99/500966699.db2.gz QLXFVLBTNSGGCH-VLIAUNLRSA-N 0 3 369.415 3.331 20 30 FGEDHN C=CCOc1ccccc1CN1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000449351224 500984926 /nfs/dbraw/zinc/98/49/26/500984926.db2.gz ZWAUPZQVLVUAQG-VQTJNVASSA-N 0 3 367.445 3.346 20 30 FGEDHN CO[C@@H]1C[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000449632127 501046385 /nfs/dbraw/zinc/04/63/85/501046385.db2.gz MFDFDZBONYEUBB-RBUKOAKNSA-N 0 3 365.481 3.248 20 30 FGEDHN CN1CCC2(CCCN2C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450345906 501096618 /nfs/dbraw/zinc/09/66/18/501096618.db2.gz CGZOXVSOKGIEEN-UHFFFAOYSA-N 0 3 362.271 3.021 20 30 FGEDHN CCN(CC)[C@H](CNc1nc2c(cc1C#N)COCC2)c1ccsc1 ZINC000450256803 501220425 /nfs/dbraw/zinc/22/04/25/501220425.db2.gz IPLYRIFFSCESQO-GOSISDBHSA-N 0 3 356.495 3.004 20 30 FGEDHN CCN1CCN(CCNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000596073352 506241850 /nfs/dbraw/zinc/24/18/50/506241850.db2.gz KIKDCIWEQVPDMN-UHFFFAOYSA-N 0 3 371.710 3.024 20 30 FGEDHN CCO[C@@H]1C[C@H](NCC(=O)N(CCC#N)c2ccccc2)C12CCCC2 ZINC000450974088 501236240 /nfs/dbraw/zinc/23/62/40/501236240.db2.gz VGBLAMJTXKESQW-RBUKOAKNSA-N 0 3 355.482 3.261 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451018029 501239483 /nfs/dbraw/zinc/23/94/83/501239483.db2.gz LKCPNKWGLMZUNS-MRXNPFEDSA-N 0 3 359.861 3.115 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000455397273 501291710 /nfs/dbraw/zinc/29/17/10/501291710.db2.gz CHMARLKPUFPKHK-RZUBCFFCSA-N 0 3 369.509 3.028 20 30 FGEDHN CCO[C@H]1C[C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000451472277 501300525 /nfs/dbraw/zinc/30/05/25/501300525.db2.gz KEBQEODXFOIGBX-PMACEKPBSA-N 0 3 369.509 3.487 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000457750276 501300692 /nfs/dbraw/zinc/30/06/92/501300692.db2.gz XIONNSDRYFKBCC-NJDAHSKKSA-N 0 3 356.510 3.385 20 30 FGEDHN C=CCn1c(CC2CC2)nnc1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000453425717 501328943 /nfs/dbraw/zinc/32/89/43/501328943.db2.gz OQEOHBJUJQHLSJ-GOSISDBHSA-N 0 3 365.525 3.375 20 30 FGEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000451591746 501331900 /nfs/dbraw/zinc/33/19/00/501331900.db2.gz OXHIQLGEKLVVQN-HIFRSBDPSA-N 0 3 351.244 3.142 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000451609856 501335938 /nfs/dbraw/zinc/33/59/38/501335938.db2.gz RFHDREQPYKHHDE-BDTNDASRSA-N 0 3 362.473 3.094 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000453462828 501338564 /nfs/dbraw/zinc/33/85/64/501338564.db2.gz IZVKHGWNHRCTAJ-ACBHZAAOSA-N 0 3 373.545 3.406 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453469413 501340827 /nfs/dbraw/zinc/34/08/27/501340827.db2.gz WMCWMPLDSZUMAZ-OKYOBFRVSA-N 0 3 373.545 3.262 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000598962192 506248247 /nfs/dbraw/zinc/24/82/47/506248247.db2.gz DVWGOIYVUJYZSL-LJQANCHMSA-N 0 3 372.538 3.108 20 30 FGEDHN C=CCSCCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458093490 501371025 /nfs/dbraw/zinc/37/10/25/501371025.db2.gz OWEMJPIWXJVKCY-MRXNPFEDSA-N 0 3 353.557 3.230 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cnc(C#N)c(Cl)c2)cc1 ZINC000455752333 501379389 /nfs/dbraw/zinc/37/93/89/501379389.db2.gz BXXGKIULUPPRTG-QGZVFWFLSA-N 0 3 373.844 3.040 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CN1Cc1ccccc1 ZINC000455778003 501384415 /nfs/dbraw/zinc/38/44/15/501384415.db2.gz GFWIMOYXYXMCQI-CJNGLKHVSA-N 0 3 369.856 3.391 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000458336610 501422716 /nfs/dbraw/zinc/42/27/16/501422716.db2.gz PKQWOEZDMMBOST-UHFFFAOYSA-N 0 3 367.415 3.465 20 30 FGEDHN CC(C)(CC#N)CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000458371016 501429643 /nfs/dbraw/zinc/42/96/43/501429643.db2.gz UJISYZNXNROTKS-UHFFFAOYSA-N 0 3 364.534 3.039 20 30 FGEDHN CC(C)N1CC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000452127354 501442023 /nfs/dbraw/zinc/44/20/23/501442023.db2.gz ZYGVNRQRVXIMAR-SFHVURJKSA-N 0 3 362.905 3.001 20 30 FGEDHN C=CCC1(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCCCC1 ZINC000458668078 501503231 /nfs/dbraw/zinc/50/32/31/501503231.db2.gz WVQIUNIZNQIXPA-HXUWFJFHSA-N 0 3 371.525 3.331 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(C#N)c(F)c1)N(C)C ZINC000458750696 501522266 /nfs/dbraw/zinc/52/22/66/501522266.db2.gz AIPOOHAHFBRHDR-YWZLYKJASA-N 0 3 368.456 3.496 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000458756979 501523643 /nfs/dbraw/zinc/52/36/43/501523643.db2.gz FCBUMJSVHVMCPQ-LIRRHRJNSA-N 0 3 354.429 3.188 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459048154 501583087 /nfs/dbraw/zinc/58/30/87/501583087.db2.gz TYXKPWRYPVYBRX-ZCNNSNEGSA-N 0 3 357.498 3.026 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459125827 501598920 /nfs/dbraw/zinc/59/89/20/501598920.db2.gz QYCXXHKXRBPGIQ-UHFFFAOYSA-N 0 3 360.458 3.032 20 30 FGEDHN CC(C)(CC#N)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000459242514 501618183 /nfs/dbraw/zinc/61/81/83/501618183.db2.gz RUPMMNMTCGYBNO-RBUKOAKNSA-N 0 3 354.498 3.090 20 30 FGEDHN N#Cc1cc2cccnc2nc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000596113093 506265564 /nfs/dbraw/zinc/26/55/64/506265564.db2.gz LJTJRJYWRDDLOO-UHFFFAOYSA-N 0 3 373.460 3.070 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CNc1ccc(C#N)cc1 ZINC000470594203 501738899 /nfs/dbraw/zinc/73/88/99/501738899.db2.gz IRSRWANCHRUDEV-NRFANRHFSA-N 0 3 364.493 3.243 20 30 FGEDHN CN(CCOc1ccccc1Cl)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470754977 501793001 /nfs/dbraw/zinc/79/30/01/501793001.db2.gz KPMAGEGURPMSHQ-QGZVFWFLSA-N 0 3 367.836 3.431 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCNC(=O)c1ccccc1F ZINC000481675680 501846395 /nfs/dbraw/zinc/84/63/95/501846395.db2.gz YIIKSPGPBNQOOC-FQEVSTJZSA-N 0 3 351.425 3.484 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@@H](COC)C1)C(C)C ZINC000467804477 501879221 /nfs/dbraw/zinc/87/92/21/501879221.db2.gz GVITZEOJAMXSDP-MOPGFXCFSA-N 0 3 351.535 3.143 20 30 FGEDHN Cn1cc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccc(F)cc21 ZINC000471135948 501931026 /nfs/dbraw/zinc/93/10/26/501931026.db2.gz GJNKMKJLLYBAJD-GOSISDBHSA-N 0 3 374.419 3.230 20 30 FGEDHN Cc1c2ccccc2n(C)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471231561 501961899 /nfs/dbraw/zinc/96/18/99/501961899.db2.gz JJVGHTSVUWTCNG-GOSISDBHSA-N 0 3 356.429 3.357 20 30 FGEDHN CCOC(=O)c1coc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000474884983 501981257 /nfs/dbraw/zinc/98/12/57/501981257.db2.gz FVPMZADEYJJYMU-UHFFFAOYSA-N 0 3 369.421 3.203 20 30 FGEDHN CC(=O)NCc1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464409859 501981930 /nfs/dbraw/zinc/98/19/30/501981930.db2.gz IAYOTGGJZLRFOX-OAHLLOKOSA-N 0 3 361.323 3.227 20 30 FGEDHN N#CC(C(=O)c1ccccc1Cn1cncn1)c1cc(C(F)(F)F)ccn1 ZINC000464425078 501986426 /nfs/dbraw/zinc/98/64/26/501986426.db2.gz YWTRPOULQZOAOF-OAHLLOKOSA-N 0 3 371.322 3.230 20 30 FGEDHN C=CCOc1ccccc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000475094478 502055137 /nfs/dbraw/zinc/05/51/37/502055137.db2.gz QMEJVTIFMTUNFI-ICSRJNTNSA-N 0 3 372.488 3.029 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCS[C@@H](C(C)C)C2)c(OC)c1 ZINC000464775403 502090730 /nfs/dbraw/zinc/09/07/30/502090730.db2.gz QTGPVWPAIPYSOZ-FXAWDEMLSA-N 0 3 365.539 3.237 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(-c3ccccc3)no2)cc1 ZINC000471747693 502126660 /nfs/dbraw/zinc/12/66/60/502126660.db2.gz LYTRTTJTLJULDD-SFHVURJKSA-N 0 3 356.385 3.212 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475312202 502129096 /nfs/dbraw/zinc/12/90/96/502129096.db2.gz BDLIJDWZVIULHR-XLIONFOSSA-N 0 3 363.461 3.058 20 30 FGEDHN C=CC[C@@H]1N(C(=O)NCc2ccncc2OCCN(C)C)CCCC1(C)C ZINC000461528562 502137225 /nfs/dbraw/zinc/13/72/25/502137225.db2.gz JNQRDBBPTJVYEO-IBGZPJMESA-N 0 3 374.529 3.298 20 30 FGEDHN Cc1nn(C)c(N2CCN([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)c1C#N ZINC000471821713 502146191 /nfs/dbraw/zinc/14/61/91/502146191.db2.gz MDDCPGIUBMYHSS-KNQAVFIVSA-N 0 3 363.509 3.233 20 30 FGEDHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000464930666 502148702 /nfs/dbraw/zinc/14/87/02/502148702.db2.gz DRJFQCOKGDQOEP-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475554573 502211987 /nfs/dbraw/zinc/21/19/87/502211987.db2.gz STTFWJIIRIZIJI-UHFFFAOYSA-N 0 3 371.934 3.200 20 30 FGEDHN CN(C)c1ccncc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468891430 502219798 /nfs/dbraw/zinc/21/97/98/502219798.db2.gz IALJXRILXLFGJM-UHFFFAOYSA-N 0 3 363.465 3.343 20 30 FGEDHN CC(C#N)C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000468975198 502249846 /nfs/dbraw/zinc/24/98/46/502249846.db2.gz PFAIYRCIZOBFSK-KPZWWZAWSA-N 0 3 356.809 3.476 20 30 FGEDHN CO[C@]1(C)C[C@@H](N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000465401110 502251761 /nfs/dbraw/zinc/25/17/61/502251761.db2.gz DGOHQCILTDYFBY-SVBQJQNYSA-N 0 3 361.511 3.229 20 30 FGEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCNc2ccncc2)cc1 ZINC000465401215 502252087 /nfs/dbraw/zinc/25/20/87/502252087.db2.gz GVBSCSIPUAXMGW-UHFFFAOYSA-N 0 3 372.428 3.318 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]2C#N)CCN1Cc1ccccc1 ZINC000461970575 502258287 /nfs/dbraw/zinc/25/82/87/502258287.db2.gz VYBKNMMANQUBOK-VBSBHUPXSA-N 0 3 354.498 3.373 20 30 FGEDHN CCCOC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000472258662 502287324 /nfs/dbraw/zinc/28/73/24/502287324.db2.gz ORFDNNZBWKZECV-IBGZPJMESA-N 0 3 353.466 3.486 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462259560 502370598 /nfs/dbraw/zinc/37/05/98/502370598.db2.gz NOYWYRPYQDSFSH-HNAYVOBHSA-N 0 3 364.449 3.209 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000462272542 502375734 /nfs/dbraw/zinc/37/57/34/502375734.db2.gz PFVREYTUKODKPB-LIRRHRJNSA-N 0 3 352.413 3.339 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000462272540 502376004 /nfs/dbraw/zinc/37/60/04/502376004.db2.gz PFVREYTUKODKPB-IFXJQAMLSA-N 0 3 352.413 3.339 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(CCCc2ccncc2)CC1 ZINC000462310650 502386975 /nfs/dbraw/zinc/38/69/75/502386975.db2.gz AHZKOZZKOIFQRC-UHFFFAOYSA-N 0 3 357.461 3.256 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000476197893 502410822 /nfs/dbraw/zinc/41/08/22/502410822.db2.gz IZQCRSFSLFXGIV-HXUWFJFHSA-N 0 3 367.493 3.224 20 30 FGEDHN N#Cc1ccc(NC(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000487499300 502461405 /nfs/dbraw/zinc/46/14/05/502461405.db2.gz GYJUKGGUNOCFGW-UHFFFAOYSA-N 0 3 350.422 3.159 20 30 FGEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000483714351 502472061 /nfs/dbraw/zinc/47/20/61/502472061.db2.gz UYZKWSPIYXHYQU-BFYDXBDKSA-N 0 3 361.511 3.424 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2c(C#N)cnc3ccccc32)cc1 ZINC000462827729 502590507 /nfs/dbraw/zinc/59/05/07/502590507.db2.gz ZJNAOKOPNPSSQK-UHFFFAOYSA-N 0 3 360.461 3.123 20 30 FGEDHN CN(C)CC1(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCC1 ZINC000466576739 502613822 /nfs/dbraw/zinc/61/38/22/502613822.db2.gz MPMJVZCDTCTLOM-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN C=CCCC1(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000469984288 502617526 /nfs/dbraw/zinc/61/75/26/502617526.db2.gz KBOHUYNLQGQHBZ-FQEVSTJZSA-N 0 3 355.526 3.228 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484648215 502695699 /nfs/dbraw/zinc/69/56/99/502695699.db2.gz CXPZXSOWBHQEJB-YZGWKJHDSA-N 0 3 357.498 3.283 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467042188 502768218 /nfs/dbraw/zinc/76/82/18/502768218.db2.gz ZZFPSMPSEBKTIW-ZWOKBUDYSA-N 0 3 363.461 3.105 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467115787 502791044 /nfs/dbraw/zinc/79/10/44/502791044.db2.gz IXIXBGMBHCVHFH-YJBOKZPZSA-N 0 3 364.449 3.351 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H](COC)C2)cc1 ZINC000467119037 502792316 /nfs/dbraw/zinc/79/23/16/502792316.db2.gz QFPPZTMOXVBQAV-SFHVURJKSA-N 0 3 373.497 3.080 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@](C)(OC)CC1)C(C)C ZINC000474063275 502795637 /nfs/dbraw/zinc/79/56/37/502795637.db2.gz WNHBPWVSUULQCV-QUCCMNQESA-N 0 3 351.535 3.286 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000477537057 502801830 /nfs/dbraw/zinc/80/18/30/502801830.db2.gz YJDJCJCKEWQBKD-UHFFFAOYSA-N 0 3 371.481 3.426 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(N(C)C)CCC1 ZINC000474100498 502809125 /nfs/dbraw/zinc/80/91/25/502809125.db2.gz XSWBAWVXEXAKBX-UHFFFAOYSA-N 0 3 356.388 3.484 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000505004462 502838304 /nfs/dbraw/zinc/83/83/04/502838304.db2.gz CVVJSBPAOBNJTH-GHTZIAJQSA-N 0 3 370.541 3.295 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1 ZINC000513060310 502841794 /nfs/dbraw/zinc/84/17/94/502841794.db2.gz ZNOMVIFELQZAID-KGLIPLIRSA-N 0 3 374.510 3.418 20 30 FGEDHN CNC(=O)CC[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000513199561 502876388 /nfs/dbraw/zinc/87/63/88/502876388.db2.gz ANQMMSWGGGPDFT-INIZCTEOSA-N 0 3 368.399 3.317 20 30 FGEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000489446723 502960661 /nfs/dbraw/zinc/96/06/61/502960661.db2.gz ITRISKFCFBUQRH-LSDHHAIUSA-N 0 3 358.251 3.368 20 30 FGEDHN CC(C#N)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000497487622 502970926 /nfs/dbraw/zinc/97/09/26/502970926.db2.gz FCEJJJIVWZVWFE-QMMMGPOBSA-N 0 3 365.149 3.123 20 30 FGEDHN Cn1c2ccccc2cc(CN2CCC(c3ccc(C#N)cn3)CC2)c1=O ZINC000602905794 506344758 /nfs/dbraw/zinc/34/47/58/506344758.db2.gz CTEPRRBPUOUWCX-UHFFFAOYSA-N 0 3 358.445 3.185 20 30 FGEDHN C=CCCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000489699523 503013954 /nfs/dbraw/zinc/01/39/54/503013954.db2.gz LUFHNJGGDINDGC-VQTJNVASSA-N 0 3 362.539 3.269 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000513839814 503035169 /nfs/dbraw/zinc/03/51/69/503035169.db2.gz QXTLBQOIUDIAJZ-UHFFFAOYSA-N 0 3 363.461 3.323 20 30 FGEDHN C=CC1CCN(C(=O)c2cnn(CCN(C)C)c2-c2ccccc2)CC1 ZINC000497771736 503037675 /nfs/dbraw/zinc/03/76/75/503037675.db2.gz RGORHVZKCGHTSE-UHFFFAOYSA-N 0 3 352.482 3.150 20 30 FGEDHN CCN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C[C@H](C)O ZINC000510103850 503049473 /nfs/dbraw/zinc/04/94/73/503049473.db2.gz JUJYZNDUFIJUMV-INIZCTEOSA-N 0 3 354.450 3.349 20 30 FGEDHN CCCCN1CCCC[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000506183585 503065214 /nfs/dbraw/zinc/06/52/14/503065214.db2.gz RONQGDGCLUYIMP-OXJNMPFZSA-N 0 3 365.518 3.019 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000489969011 503077955 /nfs/dbraw/zinc/07/79/55/503077955.db2.gz CHVVUIXCVKBYBT-UXHICEINSA-N 0 3 357.498 3.074 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@@H]2CCCN2Cc2ccccc2)nc1 ZINC000514083162 503082778 /nfs/dbraw/zinc/08/27/78/503082778.db2.gz KGZULQVNPQLGLM-IBGZPJMESA-N 0 3 350.466 3.074 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(OC(C)(C)C)n2)CC1 ZINC000502166837 503154186 /nfs/dbraw/zinc/15/41/86/503154186.db2.gz JKQKGMAPAQCMQA-UHFFFAOYSA-N 0 3 360.502 3.099 20 30 FGEDHN C=CCn1c(-c2scnc2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000582665916 506355371 /nfs/dbraw/zinc/35/53/71/506355371.db2.gz CUEIATAIXPRYSO-UHFFFAOYSA-N 0 3 374.558 3.454 20 30 FGEDHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)nn1-c1cccc(C#N)c1 ZINC000502572349 503229027 /nfs/dbraw/zinc/22/90/27/503229027.db2.gz UFFDGJAOERBNHA-NRFANRHFSA-N 0 3 373.460 3.085 20 30 FGEDHN CS[C@@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1N(C)C ZINC000490861326 503237299 /nfs/dbraw/zinc/23/72/99/503237299.db2.gz VNQJLPUUHVATHI-GDBMZVCRSA-N 0 3 359.520 3.199 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCOC2)c1 ZINC000502617176 503240171 /nfs/dbraw/zinc/24/01/71/503240171.db2.gz PBUNIPXNGPMOBJ-GBESFXJTSA-N 0 3 357.498 3.343 20 30 FGEDHN Cc1[nH]ncc1CN(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000602943144 506360770 /nfs/dbraw/zinc/36/07/70/506360770.db2.gz PJAWUUNTGVNLFP-ZDUSSCGKSA-N 0 3 357.483 3.040 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@@H](C)N2CCC(C)CC2)c(OC)c1 ZINC000499142504 503343303 /nfs/dbraw/zinc/34/33/03/503343303.db2.gz RJVZLZYWYTUVPF-QGZVFWFLSA-N 0 3 360.498 3.039 20 30 FGEDHN C[C@@H]1C[C@]1(NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000503404262 503401606 /nfs/dbraw/zinc/40/16/06/503401606.db2.gz FZVAHYXPNFYTJJ-LXGCGDOSSA-N 0 3 356.853 3.476 20 30 FGEDHN COc1cccc(OC)c1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000512007976 503433275 /nfs/dbraw/zinc/43/32/75/503433275.db2.gz PAKVEGGBCBQRIY-MRXNPFEDSA-N 0 3 369.440 3.473 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)c(Cl)c1 ZINC000599201382 506372244 /nfs/dbraw/zinc/37/22/44/506372244.db2.gz BVJZMQQMGDGIBP-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000499706251 503462682 /nfs/dbraw/zinc/46/26/82/503462682.db2.gz CSTNUWQAIGBDJY-ICSRJNTNSA-N 0 3 357.498 3.342 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC#Cc1cccc(F)c1 ZINC000512158702 503472765 /nfs/dbraw/zinc/47/27/65/503472765.db2.gz MTSREZBSCMCLNO-UHFFFAOYSA-N 0 3 367.468 3.471 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCC#Cc2cccc(F)c2)CN1Cc1ccccc1 ZINC000512189883 503481739 /nfs/dbraw/zinc/48/17/39/503481739.db2.gz QGAGEIZKQGUNAT-LAUBAEHRSA-N 0 3 365.452 3.139 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccco1 ZINC000503914594 503488363 /nfs/dbraw/zinc/48/83/63/503488363.db2.gz SQIDJVZSYGXQFF-YJBOKZPZSA-N 0 3 354.454 3.122 20 30 FGEDHN CC[C@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCc2ccccc2C1 ZINC000503990088 503506045 /nfs/dbraw/zinc/50/60/45/503506045.db2.gz XIBLTHQTEXQPDO-LJQANCHMSA-N 0 3 354.498 3.159 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1(C(F)(F)F)CC1 ZINC000512315758 503518099 /nfs/dbraw/zinc/51/80/99/503518099.db2.gz UYUZZOMCWWWRMS-UHFFFAOYSA-N 0 3 353.388 3.181 20 30 FGEDHN N#CCc1ccc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000512438411 503551157 /nfs/dbraw/zinc/55/11/57/503551157.db2.gz DXUANVRHECYJIU-DEOSSOPVSA-N 0 3 374.532 3.145 20 30 FGEDHN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000516650796 503560216 /nfs/dbraw/zinc/56/02/16/503560216.db2.gz ULYCZWGKWHWDMB-SOUVJXGZSA-N 0 3 371.451 3.126 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCC#Cc2cccc(F)c2)CCN1Cc1ccccc1 ZINC000504445129 503576082 /nfs/dbraw/zinc/57/60/82/503576082.db2.gz XLAISZXNYOCCCQ-UTKZUKDTSA-N 0 3 365.452 3.139 20 30 FGEDHN C=CCN(CC=C)[C@H](CNc1cncc(-n2nc(C)cc2C)n1)C(C)C ZINC000516771837 503583753 /nfs/dbraw/zinc/58/37/53/503583753.db2.gz COLBONJTJRUUDB-GOSISDBHSA-N 0 3 354.502 3.390 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2ccnc(C#N)c2)N(C)C)cc1 ZINC000516799370 503589769 /nfs/dbraw/zinc/58/97/69/503589769.db2.gz UZUGCIZAWIEGSE-FQEVSTJZSA-N 0 3 350.466 3.184 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N1CCN(CC2CC2)CC1 ZINC000508993386 503615466 /nfs/dbraw/zinc/61/54/66/503615466.db2.gz CPMVEQCFJBYQQI-UHFFFAOYSA-N 0 3 371.916 3.240 20 30 FGEDHN CCN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546184289 503662322 /nfs/dbraw/zinc/66/23/22/503662322.db2.gz KBIZCNSSVLERLR-HXUWFJFHSA-N 0 3 363.461 3.060 20 30 FGEDHN CCN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517236629 503688186 /nfs/dbraw/zinc/68/81/86/503688186.db2.gz CAJQXLQQKFOCPC-UTKZUKDTSA-N 0 3 374.492 3.258 20 30 FGEDHN CCN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517236628 503688769 /nfs/dbraw/zinc/68/87/69/503688769.db2.gz CAJQXLQQKFOCPC-LAUBAEHRSA-N 0 3 374.492 3.258 20 30 FGEDHN C[C@]1(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO[C@H]1C1CC1 ZINC000543239649 503693566 /nfs/dbraw/zinc/69/35/66/503693566.db2.gz RGCJUTITVKPEBD-ICSRJNTNSA-N 0 3 373.522 3.374 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCOc2ccc(F)c(Cl)c2)CC1 ZINC000517304347 503709947 /nfs/dbraw/zinc/70/99/47/503709947.db2.gz JQDSWORBPZQJJT-UHFFFAOYSA-N 0 3 354.853 3.405 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000517310192 503710840 /nfs/dbraw/zinc/71/08/40/503710840.db2.gz QRJVJCVUIHFJFQ-UHFFFAOYSA-N 0 3 369.465 3.049 20 30 FGEDHN C=CC[C@H](CO)CNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000540327467 503737699 /nfs/dbraw/zinc/73/76/99/503737699.db2.gz YEBTYLQVSQHHFX-LBPRGKRZSA-N 0 3 350.260 3.113 20 30 FGEDHN C=CCC[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000540456241 503777678 /nfs/dbraw/zinc/77/76/78/503777678.db2.gz HNIGIIVDMOMZAL-MJGOQNOKSA-N 0 3 355.434 3.452 20 30 FGEDHN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000517591825 503780727 /nfs/dbraw/zinc/78/07/27/503780727.db2.gz JIQUDBIGQGGYGD-LJQANCHMSA-N 0 3 371.504 3.361 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000517642393 503794939 /nfs/dbraw/zinc/79/49/39/503794939.db2.gz OPDFSIABOAXGNN-FUHIMQAGSA-N 0 3 363.461 3.277 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000543541478 503806646 /nfs/dbraw/zinc/80/66/46/503806646.db2.gz PNOLRYUWAWPHFQ-PNLZDCPESA-N 0 3 363.461 3.476 20 30 FGEDHN C=CCC[C@@H](NCC(=O)N1CCCC[C@H]1C(=O)OCC)c1ccccc1 ZINC000537157555 503821034 /nfs/dbraw/zinc/82/10/34/503821034.db2.gz MLSGHURGMGRAGK-MOPGFXCFSA-N 0 3 358.482 3.228 20 30 FGEDHN CC(C)(C)[C@H](COc1ccccc1F)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000540591903 503826744 /nfs/dbraw/zinc/82/67/44/503826744.db2.gz LJLDCJPAXQCWEH-FXAWDEMLSA-N 0 3 361.461 3.017 20 30 FGEDHN COC(=O)CC1(NCC(=O)Nc2cc(Cl)ccc2C#N)CCCCC1 ZINC000533391271 503827959 /nfs/dbraw/zinc/82/79/59/503827959.db2.gz XFXCQFIIZZKTAW-UHFFFAOYSA-N 0 3 363.845 3.006 20 30 FGEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000533483857 503861092 /nfs/dbraw/zinc/86/10/92/503861092.db2.gz RMIWDEBERNFYCQ-MRXNPFEDSA-N 0 3 371.481 3.331 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCN(C)c1ccncc1 ZINC000543716289 503864611 /nfs/dbraw/zinc/86/46/11/503864611.db2.gz VOTGMKCKTHEMHL-UHFFFAOYSA-N 0 3 350.466 3.464 20 30 FGEDHN COC(=O)c1ccc(CNC2CCC(Oc3ccccc3C#N)CC2)o1 ZINC000537310804 503876221 /nfs/dbraw/zinc/87/62/21/503876221.db2.gz KYPUHHXZJLHJQO-UHFFFAOYSA-N 0 3 354.406 3.418 20 30 FGEDHN CC[C@H](CNC(=O)N1CCC(CC#N)CC1)N1CCc2ccccc2C1 ZINC000543776097 503888554 /nfs/dbraw/zinc/88/85/54/503888554.db2.gz CXMKKAXJHZNYOR-HXUWFJFHSA-N 0 3 354.498 3.159 20 30 FGEDHN N#Cc1ccc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000530279348 503906458 /nfs/dbraw/zinc/90/64/58/503906458.db2.gz VIINELLBKJBHPP-UHFFFAOYSA-N 0 3 371.440 3.377 20 30 FGEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533762698 503945207 /nfs/dbraw/zinc/94/52/07/503945207.db2.gz XUTWPHSWIGVGAJ-QRQLOZEOSA-N 0 3 356.466 3.370 20 30 FGEDHN Cn1c2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2oc1=O ZINC000540984570 503965303 /nfs/dbraw/zinc/96/53/03/503965303.db2.gz WORGFDFFVLSMPI-UHFFFAOYSA-N 0 3 362.433 3.080 20 30 FGEDHN C=CCc1cc(CN2CCN(CCOC)[C@H](CCC)C2)cc(OC)c1O ZINC000537689138 504006512 /nfs/dbraw/zinc/00/65/12/504006512.db2.gz FMXUJPNNEPVPOH-LJQANCHMSA-N 0 3 362.514 3.062 20 30 FGEDHN N#CCc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000544128903 504018756 /nfs/dbraw/zinc/01/87/56/504018756.db2.gz JDVDCPBCSYYTHE-HXUWFJFHSA-N 0 3 351.494 3.367 20 30 FGEDHN N#Cc1cccc(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000530670754 504047751 /nfs/dbraw/zinc/04/77/51/504047751.db2.gz DXPNGGSWYSSRDU-GOSISDBHSA-N 0 3 353.491 3.191 20 30 FGEDHN C=CCOc1ccc(CNCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000518769712 504059688 /nfs/dbraw/zinc/05/96/88/504059688.db2.gz ULNDICLSZDFOAY-UHFFFAOYSA-N 0 3 369.484 3.302 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000541317680 504086311 /nfs/dbraw/zinc/08/63/11/504086311.db2.gz QVIJLADJCZQBBF-GOSISDBHSA-N 0 3 372.513 3.240 20 30 FGEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000530856238 504109241 /nfs/dbraw/zinc/10/92/41/504109241.db2.gz LMRLRNYTGYQJCO-JXFKEZNVSA-N 0 3 351.450 3.098 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1)OCC ZINC000534421095 504137573 /nfs/dbraw/zinc/13/75/73/504137573.db2.gz IMFJXUXNLHUSAN-AZUAARDMSA-N 0 3 374.525 3.374 20 30 FGEDHN C=CCCC[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000538147354 504145385 /nfs/dbraw/zinc/14/53/85/504145385.db2.gz KKJZQBRVFJBCQO-QGZVFWFLSA-N 0 3 366.527 3.136 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528288272 504150442 /nfs/dbraw/zinc/15/04/42/504150442.db2.gz MHUNABKTZRTFQL-HBMCJLEFSA-N 0 3 366.509 3.485 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528288280 504150478 /nfs/dbraw/zinc/15/04/78/504150478.db2.gz MHUNABKTZRTFQL-PWRODBHTSA-N 0 3 366.509 3.485 20 30 FGEDHN COc1ccc2c(c1)CCC[C@H]2N(C)C[C@H](O)COc1ccccc1C#N ZINC000528363114 504187658 /nfs/dbraw/zinc/18/76/58/504187658.db2.gz GAXVCKHXFFKVHI-GHTZIAJQSA-N 0 3 366.461 3.316 20 30 FGEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@@H](O)COc1ccccc1C#N ZINC000528363122 504187673 /nfs/dbraw/zinc/18/76/73/504187673.db2.gz GAXVCKHXFFKVHI-NQIIRXRSSA-N 0 3 366.461 3.316 20 30 FGEDHN Cc1nc2c(s1)[C@H](N(C)C[C@@H](O)COc1ccccc1C#N)CCC2 ZINC000528421042 504216893 /nfs/dbraw/zinc/21/68/93/504216893.db2.gz ZESJUPSTJSERMA-NVXWUHKLSA-N 0 3 357.479 3.072 20 30 FGEDHN COc1cccc([C@@H]2C[C@H](C)CN2C[C@H](O)COc2ccccc2C#N)c1 ZINC000528444953 504227805 /nfs/dbraw/zinc/22/78/05/504227805.db2.gz ZEFCPFUFUNFSDB-LRQRDZAKSA-N 0 3 366.461 3.390 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(N2CCOCC2)nc1 ZINC000519678502 504299430 /nfs/dbraw/zinc/29/94/30/504299430.db2.gz YYKBFEYYNSUMOL-NRFANRHFSA-N 0 3 362.477 3.347 20 30 FGEDHN COc1cc(C)nc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000538615087 504303719 /nfs/dbraw/zinc/30/37/19/504303719.db2.gz SJDMUQWKNCJZLI-INIZCTEOSA-N 0 3 354.429 3.168 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2ccc(OC)cc2C1)C(C)C ZINC000520052558 504405129 /nfs/dbraw/zinc/40/51/29/504405129.db2.gz JEOHWNIORSAXAP-NRFANRHFSA-N 0 3 371.525 3.462 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC(OCCCc3ccccc3)C2)CC1 ZINC000538908505 504412619 /nfs/dbraw/zinc/41/26/19/504412619.db2.gz KNDYCORIPRHTAV-UHFFFAOYSA-N 0 3 371.525 3.070 20 30 FGEDHN CC1CC(C#N)(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000531825005 504437305 /nfs/dbraw/zinc/43/73/05/504437305.db2.gz UNKWHXIQXIYIAA-UHFFFAOYSA-N 0 3 369.509 3.114 20 30 FGEDHN CCc1nnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(C#N)c1CC ZINC000520221328 504439876 /nfs/dbraw/zinc/43/98/76/504439876.db2.gz LTIMGBFHGVTQQI-LAUBAEHRSA-N 0 3 361.493 3.184 20 30 FGEDHN Cc1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)c(OC(C)C)c1 ZINC000520398309 504490122 /nfs/dbraw/zinc/49/01/22/504490122.db2.gz ZSYIKSWFOIMFDO-FQEVSTJZSA-N 0 3 368.477 3.378 20 30 FGEDHN COC[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000542522126 504524577 /nfs/dbraw/zinc/52/45/77/504524577.db2.gz PQSPILNTVZHLLF-CJNGLKHVSA-N 0 3 363.527 3.476 20 30 FGEDHN N#Cc1cc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccc1F ZINC000520571822 504531421 /nfs/dbraw/zinc/53/14/21/504531421.db2.gz QSOOVTAJEGSTOA-OXJNMPFZSA-N 0 3 364.424 3.436 20 30 FGEDHN C=CCCOCCCCC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539397200 504556204 /nfs/dbraw/zinc/55/62/04/504556204.db2.gz VVQVENWEWZMXCJ-KDURUIRLSA-N 0 3 366.546 3.097 20 30 FGEDHN CN1CCN(CC2(C)CCN(c3cccc(C(F)F)c3C#N)CC2)CC1 ZINC000520839725 504593625 /nfs/dbraw/zinc/59/36/25/504593625.db2.gz QECCFCXPLJYQNV-UHFFFAOYSA-N 0 3 362.468 3.350 20 30 FGEDHN C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)c(F)c1 ZINC000539603064 504622294 /nfs/dbraw/zinc/62/22/94/504622294.db2.gz YDEBDNGKORLLNQ-JXFKEZNVSA-N 0 3 353.441 3.249 20 30 FGEDHN CNC(=O)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000542831073 504628775 /nfs/dbraw/zinc/62/87/75/504628775.db2.gz FUZJDRRSSCPXHJ-UHFFFAOYSA-N 0 3 362.477 3.303 20 30 FGEDHN Cc1cc(C)c([N+](=O)[O-])c(N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000542863242 504639629 /nfs/dbraw/zinc/63/96/29/504639629.db2.gz HELLYLHBSZBWAO-UHFFFAOYSA-N 0 3 353.426 3.047 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)n(CCC#N)n1 ZINC000556094240 504794842 /nfs/dbraw/zinc/79/48/42/504794842.db2.gz ULEPVNNDEXCXFI-UHFFFAOYSA-N 0 3 351.454 3.343 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000553010794 504804447 /nfs/dbraw/zinc/80/44/47/504804447.db2.gz ZYBRPEUCRBKROA-MOPGFXCFSA-N 0 3 366.461 3.240 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000553025793 504807792 /nfs/dbraw/zinc/80/77/92/504807792.db2.gz OALDVOHFYDHTLQ-KXBFYZLASA-N 0 3 372.465 3.458 20 30 FGEDHN C=CCN1CCC(Nc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000553074713 504821389 /nfs/dbraw/zinc/82/13/89/504821389.db2.gz WWGRHAHTYKHXCZ-UHFFFAOYSA-N 0 3 364.209 3.347 20 30 FGEDHN Cc1cccnc1OC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000565275063 504839715 /nfs/dbraw/zinc/83/97/15/504839715.db2.gz GMXOWYXMHRSBJX-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN CC(C)OCc1ccccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000553199413 504850752 /nfs/dbraw/zinc/85/07/52/504850752.db2.gz AJEODUGWQKQMTA-HXUWFJFHSA-N 0 3 354.450 3.013 20 30 FGEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC000562568010 504861953 /nfs/dbraw/zinc/86/19/53/504861953.db2.gz KEAPJEWPJGGHCQ-QUCCMNQESA-N 0 3 361.445 3.435 20 30 FGEDHN CCOCC(C)(C)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000549815754 504906112 /nfs/dbraw/zinc/90/61/12/504906112.db2.gz TUWGOJABELQEKG-UHFFFAOYSA-N 0 3 351.878 3.300 20 30 FGEDHN C[C@@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCN(C2CCC2)C1 ZINC000553524042 504939416 /nfs/dbraw/zinc/93/94/16/504939416.db2.gz DWPJLBMDNGLKTE-HNNXBMFYSA-N 0 3 355.457 3.062 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000550167413 504983501 /nfs/dbraw/zinc/98/35/01/504983501.db2.gz NCRHVSZAGYIMCE-OALUTQOASA-N 0 3 373.460 3.208 20 30 FGEDHN Cc1nc(SCC(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c(C#N)c(C)c1C ZINC000553775271 505006109 /nfs/dbraw/zinc/00/61/09/505006109.db2.gz JMHNOMUIMQNQIJ-AEFFLSMTSA-N 0 3 372.538 3.056 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562997983 505014758 /nfs/dbraw/zinc/01/47/58/505014758.db2.gz XIPMXVOWRJCDCP-QGZVFWFLSA-N 0 3 364.405 3.462 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H]1n1cccn1 ZINC000550326989 505023005 /nfs/dbraw/zinc/02/30/05/505023005.db2.gz QAZLMBQBHZRLLQ-BBWFWOEESA-N 0 3 364.371 3.282 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000560493794 505103392 /nfs/dbraw/zinc/10/33/92/505103392.db2.gz KLZWWLDORYVFHT-BHDDXSALSA-N 0 3 359.473 3.443 20 30 FGEDHN CCN1CC[C@@H](NCc2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000563352147 505117595 /nfs/dbraw/zinc/11/75/95/505117595.db2.gz CMBDLOZJRIENIM-IEBWSBKVSA-N 0 3 360.383 3.296 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000554254664 505126409 /nfs/dbraw/zinc/12/64/09/505126409.db2.gz WXAURSNIQIUMLR-FQEVSTJZSA-N 0 3 365.477 3.325 20 30 FGEDHN CCOc1cccc([C@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000557500744 505151226 /nfs/dbraw/zinc/15/12/26/505151226.db2.gz CSFWLPXNDHVNFL-LPHOPBHVSA-N 0 3 354.450 3.242 20 30 FGEDHN CN(C(=O)c1ccc(NCc2cc(C#N)cs2)cc1)[C@@H]1CCCN(C)C1 ZINC000551091255 505155935 /nfs/dbraw/zinc/15/59/35/505155935.db2.gz OITRCJHKCZDOFX-GOSISDBHSA-N 0 3 368.506 3.398 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000557653802 505194935 /nfs/dbraw/zinc/19/49/35/505194935.db2.gz VMBSNTPYXYKNEO-NSHGMRRFSA-N 0 3 371.525 3.017 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](c3ccnc(N)n3)C2)ccc1OC ZINC000551333222 505202931 /nfs/dbraw/zinc/20/29/31/505202931.db2.gz VGFKRUCZNGGWPA-QGZVFWFLSA-N 0 3 368.481 3.232 20 30 FGEDHN CCc1oc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1C(=O)OC ZINC000563781105 505236709 /nfs/dbraw/zinc/23/67/09/505236709.db2.gz XTJRUHGOLRFDID-UHFFFAOYSA-N 0 3 369.465 3.064 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000566714619 505251773 /nfs/dbraw/zinc/25/17/73/505251773.db2.gz SCVUNSFMBGKVTA-UHFFFAOYSA-N 0 3 374.229 3.499 20 30 FGEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000558061254 505299245 /nfs/dbraw/zinc/29/92/45/505299245.db2.gz FPQHBJNKONRZEN-AVRDEDQJSA-N 0 3 366.461 3.316 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551992157 505364792 /nfs/dbraw/zinc/36/47/92/505364792.db2.gz IZKPFMDRSLOMPE-IRXDYDNUSA-N 0 3 350.422 3.035 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000552025624 505373863 /nfs/dbraw/zinc/37/38/63/505373863.db2.gz FEUPXRKIEPZSER-GOSISDBHSA-N 0 3 355.869 3.481 20 30 FGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000555420368 505429081 /nfs/dbraw/zinc/42/90/81/505429081.db2.gz BVBJOKMEDDHTPZ-SCTDSRPQSA-N 0 3 355.482 3.421 20 30 FGEDHN COCC1(NCc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 ZINC000552311826 505456980 /nfs/dbraw/zinc/45/69/80/505456980.db2.gz CCDCXOBGYBGITE-UHFFFAOYSA-N 0 3 366.461 3.422 20 30 FGEDHN C[C@H](O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507675 505483752 /nfs/dbraw/zinc/48/37/52/505483752.db2.gz LHGCXAHAYIOZOO-AOMKIAJQSA-N 0 3 367.468 3.373 20 30 FGEDHN CC(C)(C)c1ccc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000558761847 505485379 /nfs/dbraw/zinc/48/53/79/505485379.db2.gz FLTJRLGIFIBAMW-UHFFFAOYSA-N 0 3 370.518 3.462 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000552474119 505498782 /nfs/dbraw/zinc/49/87/82/505498782.db2.gz KDRHYFWLXSOZKG-GOSISDBHSA-N 0 3 357.841 3.253 20 30 FGEDHN N#CC(CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000567602721 505511414 /nfs/dbraw/zinc/51/14/14/505511414.db2.gz NWBCISFROHBFNU-YUXAGFNASA-N 0 3 373.500 3.472 20 30 FGEDHN Cc1cccc(C(NC[C@@H](O)CN(C)CCC#N)c2cccc(C)c2)c1 ZINC000567605175 505511882 /nfs/dbraw/zinc/51/18/82/505511882.db2.gz GSNHORBAWZXLMD-OAQYLSRUSA-N 0 3 351.494 3.189 20 30 FGEDHN CCC(CC)(CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000564848409 505537866 /nfs/dbraw/zinc/53/78/66/505537866.db2.gz CSWOEZBEVSMFPE-UHFFFAOYSA-N 0 3 371.506 3.075 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000564849092 505538871 /nfs/dbraw/zinc/53/88/71/505538871.db2.gz JBWJZDCWDNCVQZ-HJNYFJLDSA-N 0 3 366.461 3.116 20 30 FGEDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000567724558 505550125 /nfs/dbraw/zinc/55/01/25/505550125.db2.gz JDEHMHLZJMIRRL-HUUCEWRRSA-N 0 3 374.554 3.099 20 30 FGEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599262945 506389356 /nfs/dbraw/zinc/38/93/56/506389356.db2.gz CHHQLONXYYHNSQ-INIZCTEOSA-N 0 3 356.388 3.209 20 30 FGEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599262946 506390178 /nfs/dbraw/zinc/39/01/78/506390178.db2.gz CHHQLONXYYHNSQ-MRXNPFEDSA-N 0 3 356.388 3.209 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(-n2ccnn2)cc1)C(C)C ZINC000588948846 506392299 /nfs/dbraw/zinc/39/22/99/506392299.db2.gz SEOCFCYSDVQODJ-LJQANCHMSA-N 0 3 368.485 3.087 20 30 FGEDHN COc1c(C)cc(CN(C)C[C@@H](O)COc2ccccc2C#N)cc1C ZINC000599279742 506395788 /nfs/dbraw/zinc/39/57/88/506395788.db2.gz UOUWTDDXMOGFTB-LJQANCHMSA-N 0 3 354.450 3.055 20 30 FGEDHN C=CCn1c(CC(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000582755084 506399320 /nfs/dbraw/zinc/39/93/20/506399320.db2.gz VUUKZHYTCAQDRC-LJQANCHMSA-N 0 3 353.514 3.373 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN(CCc1cccc(F)c1)C1CC1 ZINC000599295425 506400833 /nfs/dbraw/zinc/40/08/33/506400833.db2.gz LUIDSIZDRYAJBC-FQEVSTJZSA-N 0 3 354.425 3.144 20 30 FGEDHN C[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCc2ccc(F)cc21 ZINC000593115025 506402307 /nfs/dbraw/zinc/40/23/07/506402307.db2.gz GCDUAAJKUPZGSH-UZLBHIALSA-N 0 3 368.452 3.293 20 30 FGEDHN COc1ccc([C@@H](NC[C@@H](O)COc2ccccc2C#N)C(C)C)cc1 ZINC000599348829 506422755 /nfs/dbraw/zinc/42/27/55/506422755.db2.gz MWLZMWZXZLKGDV-NQIIRXRSSA-N 0 3 354.450 3.293 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC#N)C2)N(C)C)cc1 ZINC000596600845 506482440 /nfs/dbraw/zinc/48/24/40/506482440.db2.gz KSPKYYZGTRTYEN-YLJYHZDGSA-N 0 3 372.513 3.412 20 30 FGEDHN CCCCCN(CCNC(=O)C1(C#N)CCOCC1)Cc1ccccc1 ZINC000593251118 506494616 /nfs/dbraw/zinc/49/46/16/506494616.db2.gz PRWRHTCIJGWEOO-UHFFFAOYSA-N 0 3 357.498 3.115 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000589278689 506506095 /nfs/dbraw/zinc/50/60/95/506506095.db2.gz DBMRKIBLWOJMHW-JOCHJYFZSA-N 0 3 361.445 3.357 20 30 FGEDHN CCOc1ccc(C2(CNCc3nc(C#N)cs3)CCOCC2)cc1 ZINC000589310439 506512751 /nfs/dbraw/zinc/51/27/51/506512751.db2.gz OBUHQHPBXZFEMW-UHFFFAOYSA-N 0 3 357.479 3.251 20 30 FGEDHN C[C@@H]1CN(c2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cn2)C[C@@H](C)O1 ZINC000589336541 506522054 /nfs/dbraw/zinc/52/20/54/506522054.db2.gz OUIGEIKSWJFPBV-ZOCZFRKYSA-N 0 3 362.477 3.344 20 30 FGEDHN CN(C)C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000599626402 506536721 /nfs/dbraw/zinc/53/67/21/506536721.db2.gz FROJWUROSBCZGA-CZUORRHYSA-N 0 3 356.297 3.240 20 30 FGEDHN CN(C)C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000599626401 506537398 /nfs/dbraw/zinc/53/73/98/506537398.db2.gz FROJWUROSBCZGA-CJNGLKHVSA-N 0 3 356.297 3.240 20 30 FGEDHN C[C@]1(C#N)CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000596706358 506550730 /nfs/dbraw/zinc/55/07/30/506550730.db2.gz CMDCHBFKKACDBO-LJQANCHMSA-N 0 3 358.511 3.045 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)C1CC1 ZINC000593395549 506597709 /nfs/dbraw/zinc/59/77/09/506597709.db2.gz ZDEMFGJLGYAVOH-JOCHJYFZSA-N 0 3 374.488 3.494 20 30 FGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000596843103 506632507 /nfs/dbraw/zinc/63/25/07/506632507.db2.gz FTVVADQNLLKNNU-QGZVFWFLSA-N 0 3 354.498 3.357 20 30 FGEDHN COc1ccc(OC2CCN(CCOc3cccc(C#N)c3)CC2)cc1 ZINC000603854991 506637653 /nfs/dbraw/zinc/63/76/53/506637653.db2.gz UWVFTLQHADSJRJ-UHFFFAOYSA-N 0 3 352.434 3.489 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC000599793854 506640067 /nfs/dbraw/zinc/64/00/67/506640067.db2.gz WPUFWOZQKIOFFM-KBPBESRZSA-N 0 3 361.467 3.074 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000589743981 506640681 /nfs/dbraw/zinc/64/06/81/506640681.db2.gz VNUBOACKZGQFIU-TTYHFUOFSA-N 0 3 355.482 3.148 20 30 FGEDHN COc1cc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)c(F)cc1C#N ZINC000599809284 506649232 /nfs/dbraw/zinc/64/92/32/506649232.db2.gz HUMIESCZVZLVFY-ZDUSSCGKSA-N 0 3 360.433 3.044 20 30 FGEDHN Cc1ccc2nc(CNC3CCN(Cc4cccc(C#N)c4)CC3)cn2c1 ZINC000593693029 506734641 /nfs/dbraw/zinc/73/46/41/506734641.db2.gz MFESJWACKKBPRZ-UHFFFAOYSA-N 0 3 359.477 3.269 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1nc(C(F)(F)F)no1 ZINC000600030099 506750995 /nfs/dbraw/zinc/75/09/95/506750995.db2.gz AYXVSPWZWXCLGB-ZYHUDNBSSA-N 0 3 352.316 3.038 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000583385521 506751700 /nfs/dbraw/zinc/75/17/00/506751700.db2.gz KSJUHRZHCDQSMO-UHFFFAOYSA-N 0 3 358.445 3.437 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1 ZINC000590216088 506765556 /nfs/dbraw/zinc/76/55/56/506765556.db2.gz CFXAWEVNNOVNGB-INIZCTEOSA-N 0 3 364.493 3.483 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](OC)C1CC1 ZINC000583494389 506810818 /nfs/dbraw/zinc/81/08/18/506810818.db2.gz ZSARZAHEPQEFPV-INIZCTEOSA-N 0 3 350.532 3.010 20 30 FGEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCC(=O)N(C)C1 ZINC000600178658 506824832 /nfs/dbraw/zinc/82/48/32/506824832.db2.gz OFBCRXRJGXURAJ-FQEVSTJZSA-N 0 3 363.461 3.190 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2cccc(C#N)n2)N(CC)CC)cc1 ZINC000590470911 506834447 /nfs/dbraw/zinc/83/44/47/506834447.db2.gz RUCFHJHPSYDTRW-FQEVSTJZSA-N 0 3 350.466 3.329 20 30 FGEDHN COc1ccc(CN(C)C)cc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000593961303 506852744 /nfs/dbraw/zinc/85/27/44/506852744.db2.gz WWDRQEDRJRMWGO-OAHLLOKOSA-N 0 3 351.450 3.446 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000594002367 506876356 /nfs/dbraw/zinc/87/63/56/506876356.db2.gz OHGVFIKTJLAWNY-KRWDZBQOSA-N 0 3 362.477 3.165 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC1(C#N)CCOCC1 ZINC000597323319 506897683 /nfs/dbraw/zinc/89/76/83/506897683.db2.gz XYCPHKQCFYUIED-HXUWFJFHSA-N 0 3 369.509 3.067 20 30 FGEDHN C[C@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000609546513 506917372 /nfs/dbraw/zinc/91/73/72/506917372.db2.gz TVYVOVXQZJZOCC-IRXDYDNUSA-N 0 3 350.466 3.439 20 30 FGEDHN COc1cc(CN(C[C@@H](C)O)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000594067205 506918557 /nfs/dbraw/zinc/91/85/57/506918557.db2.gz ZSZMNKDFSGJKMF-MRXNPFEDSA-N 0 3 366.461 3.491 20 30 FGEDHN CC1(C)CN(c2ccc(C#N)nn2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000590710092 506919768 /nfs/dbraw/zinc/91/97/68/506919768.db2.gz FBQFLKVTONBHIO-NRFANRHFSA-N 0 3 361.493 3.475 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594070432 506922140 /nfs/dbraw/zinc/92/21/40/506922140.db2.gz ZDVTVCPSLPSEAK-AEFFLSMTSA-N 0 3 356.470 3.484 20 30 FGEDHN CN(C(=O)c1cc(F)c(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597388440 506926032 /nfs/dbraw/zinc/92/60/32/506926032.db2.gz CKTVBOBPUDNDPE-INIZCTEOSA-N 0 3 355.388 3.183 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](C)C(C)(C)O)cc1OC ZINC000604764577 506933461 /nfs/dbraw/zinc/93/34/61/506933461.db2.gz BZPKJUJRDHKMJX-NSHDSACASA-N 0 3 358.276 3.272 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](C)CC#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000597412678 506938888 /nfs/dbraw/zinc/93/88/88/506938888.db2.gz GTJAVOLRCFWEAF-MAUKXSAKSA-N 0 3 351.454 3.127 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](Cc4ccncc4)C3)C2=O)cc1 ZINC000613179265 506955052 /nfs/dbraw/zinc/95/50/52/506955052.db2.gz RMXJFTSOEOUCNA-FPOVZHCZSA-N 0 3 360.461 3.013 20 30 FGEDHN N#Cc1c(F)cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc1F ZINC000597455370 506960432 /nfs/dbraw/zinc/96/04/32/506960432.db2.gz RFEHSJABIWRBMJ-UHFFFAOYSA-N 0 3 371.387 3.045 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)CCCN1CCN(c3ccccc3)CC1)C2 ZINC000594154383 506978664 /nfs/dbraw/zinc/97/86/64/506978664.db2.gz KMRMYPZVFKTVIA-UHFFFAOYSA-N 0 3 374.488 3.003 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597516276 506987264 /nfs/dbraw/zinc/98/72/64/506987264.db2.gz FVESPKMGSGCKIP-YJYMSZOUSA-N 0 3 355.388 3.087 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594216142 507015738 /nfs/dbraw/zinc/01/57/38/507015738.db2.gz IYZWJPHXICNPNQ-IAGOWNOFSA-N 0 3 354.498 3.357 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C2 ZINC000594222715 507021741 /nfs/dbraw/zinc/02/17/41/507021741.db2.gz KDYHPSUWFZOZKS-OAQYLSRUSA-N 0 3 360.461 3.248 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000594239520 507035425 /nfs/dbraw/zinc/03/54/25/507035425.db2.gz JBKNXHDJGUJXET-IBGZPJMESA-N 0 3 360.461 3.106 20 30 FGEDHN CCOc1ccc(Br)cc1CN(C(=O)C(C)C#N)C1CC1 ZINC000609921298 507050526 /nfs/dbraw/zinc/05/05/26/507050526.db2.gz GVBWCAPBDAFDIY-NSHDSACASA-N 0 3 351.244 3.498 20 30 FGEDHN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(C)C#N)CC1 ZINC000609921283 507050667 /nfs/dbraw/zinc/05/06/67/507050667.db2.gz GETGVLLATSZVAH-XJKSGUPXSA-N 0 3 364.287 3.204 20 30 FGEDHN N#CCCC[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000590942487 507052461 /nfs/dbraw/zinc/05/24/61/507052461.db2.gz VLUDIESAVKWQSV-FQEVSTJZSA-N 0 3 363.465 3.348 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000590944540 507052572 /nfs/dbraw/zinc/05/25/72/507052572.db2.gz MKISOJOYDNIQBJ-HBFSDRIKSA-N 0 3 354.498 3.375 20 30 FGEDHN C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000613389721 507064635 /nfs/dbraw/zinc/06/46/35/507064635.db2.gz LQGSPZSHYKAFQF-FVEAQXSWSA-N 0 3 371.525 3.060 20 30 FGEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1c(Cl)cc(C#N)cc1Cl)C2 ZINC000597710525 507069972 /nfs/dbraw/zinc/06/99/72/507069972.db2.gz OLWUBDDDEVZIIF-KRWDZBQOSA-N 0 3 352.265 3.423 20 30 FGEDHN COc1ccc2ccccc2c1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600719917 507080544 /nfs/dbraw/zinc/08/05/44/507080544.db2.gz XJKNCJOEQAARLU-QGZVFWFLSA-N 0 3 354.450 3.009 20 30 FGEDHN COc1ccc(Oc2cc(CNC[C@@H](O)CC3(C#N)CC3)ccn2)cc1 ZINC000600718392 507080623 /nfs/dbraw/zinc/08/06/23/507080623.db2.gz XDPUDMNHZKJRPT-INIZCTEOSA-N 0 3 353.422 3.027 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCCOC[C@@H]3C)sc2C1 ZINC000591020003 507080876 /nfs/dbraw/zinc/08/08/76/507080876.db2.gz XXGJHJQVJVHXIP-KBPBESRZSA-N 0 3 361.511 3.184 20 30 FGEDHN C[C@@H]1Oc2c(cccc2C(=O)C(C#N)c2ccc3ccccc3n2)NC1=O ZINC000591020091 507080993 /nfs/dbraw/zinc/08/09/93/507080993.db2.gz QCHSJZZLMTWPHO-SWLSCSKDSA-N 0 3 357.369 3.444 20 30 FGEDHN CC[C@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1ccccc1C ZINC000600725769 507084667 /nfs/dbraw/zinc/08/46/67/507084667.db2.gz DIIFGHPVGMBQAK-RTBURBONSA-N 0 3 354.450 3.054 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594356125 507090818 /nfs/dbraw/zinc/09/08/18/507090818.db2.gz GYIRTGLUICBELI-KKSFZXQISA-N 0 3 365.477 3.165 20 30 FGEDHN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)cc1 ZINC000594424476 507125741 /nfs/dbraw/zinc/12/57/41/507125741.db2.gz FDEAQQVBJUVVND-HNNXBMFYSA-N 0 3 371.466 3.118 20 30 FGEDHN Cc1nc(-c2ccc(CCNC(=O)[C@H](N)CCCCC#N)s2)cs1 ZINC000594429534 507127011 /nfs/dbraw/zinc/12/70/11/507127011.db2.gz REGJUCXUPJSOAW-CQSZACIVSA-N 0 3 362.524 3.250 20 30 FGEDHN CCCC(=O)Nc1nc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2s1 ZINC000594428033 507127952 /nfs/dbraw/zinc/12/79/52/507127952.db2.gz KTMDODUMGQQEDF-CYBMUJFWSA-N 0 3 373.482 3.385 20 30 FGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000594430654 507128817 /nfs/dbraw/zinc/12/88/17/507128817.db2.gz AKTKEKJJUMRQNL-IUODEOHRSA-N 0 3 357.376 3.216 20 30 FGEDHN CC(C)(CO)[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cccnc1 ZINC000597847397 507129816 /nfs/dbraw/zinc/12/98/16/507129816.db2.gz USFLBDKCHNQXDI-IEBWSBKVSA-N 0 3 351.450 3.030 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000594429803 507129845 /nfs/dbraw/zinc/12/98/45/507129845.db2.gz WGMCSZILTYHFJQ-LJQANCHMSA-N 0 3 351.450 3.293 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000594435114 507131133 /nfs/dbraw/zinc/13/11/33/507131133.db2.gz ARHIHIXDPVANNL-CVEARBPZSA-N 0 3 370.280 3.305 20 30 FGEDHN Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H](N)CCCCC#N)C3)cs1 ZINC000594443830 507134635 /nfs/dbraw/zinc/13/46/35/507134635.db2.gz VKRYLZZMHQHZOS-AWEZNQCLSA-N 0 3 374.535 3.476 20 30 FGEDHN C[C@@H](c1ccccc1Br)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594443806 507134873 /nfs/dbraw/zinc/13/48/73/507134873.db2.gz VBVKTGXNVLEZJV-SWLSCSKDSA-N 0 3 352.276 3.380 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000594441220 507136034 /nfs/dbraw/zinc/13/60/34/507136034.db2.gz OYXMBOOJLGRSTI-FXAWDEMLSA-N 0 3 361.449 3.180 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000594441220 507136038 /nfs/dbraw/zinc/13/60/38/507136038.db2.gz OYXMBOOJLGRSTI-FXAWDEMLSA-N 0 3 361.449 3.180 20 30 FGEDHN CCCc1c(NC(=O)[C@H](N)CCCCC#N)cnn1-c1cccc(F)c1 ZINC000594443785 507136075 /nfs/dbraw/zinc/13/60/75/507136075.db2.gz UUHVDHAOJJWYPB-MRXNPFEDSA-N 0 3 357.433 3.314 20 30 FGEDHN COc1ccc(C(=O)NCCNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594494402 507153729 /nfs/dbraw/zinc/15/37/29/507153729.db2.gz ARKWMYNTUBYJLM-UHFFFAOYSA-N 0 3 351.450 3.016 20 30 FGEDHN COCC(=O)Nc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594495712 507155377 /nfs/dbraw/zinc/15/53/77/507155377.db2.gz UGBQCCQALCMPRW-UHFFFAOYSA-N 0 3 351.450 3.362 20 30 FGEDHN N#Cc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000597891988 507158502 /nfs/dbraw/zinc/15/85/02/507158502.db2.gz SJYXCPHJQQBZQM-HXUWFJFHSA-N 0 3 365.452 3.268 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000610433585 507237385 /nfs/dbraw/zinc/23/73/85/507237385.db2.gz VIIVQSKUAGKQFD-HXUWFJFHSA-N 0 3 373.460 3.315 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)COc1ccccc1C#N ZINC000610445935 507242797 /nfs/dbraw/zinc/24/27/97/507242797.db2.gz KRNIEYZRCGRNRC-SFHVURJKSA-N 0 3 363.461 3.060 20 30 FGEDHN C=CCCCN(C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000605740693 507281146 /nfs/dbraw/zinc/28/11/46/507281146.db2.gz PVSCPYTYENTANA-UHFFFAOYSA-N 0 3 367.896 3.021 20 30 FGEDHN Cc1cc(C)c(C#N)c(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000610542412 507282138 /nfs/dbraw/zinc/28/21/38/507282138.db2.gz FUTQYWKGRBZMCZ-HDICACEKSA-N 0 3 356.514 3.286 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000591598220 507307034 /nfs/dbraw/zinc/30/70/34/507307034.db2.gz PKZNKTMMMMETTA-ZDCRXTMVSA-N 0 3 359.314 3.033 20 30 FGEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923147 507315805 /nfs/dbraw/zinc/31/58/05/507315805.db2.gz SRFGWBAFOZDCCK-NRFANRHFSA-N 0 3 372.472 3.170 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1Br ZINC000591622955 507316390 /nfs/dbraw/zinc/31/63/90/507316390.db2.gz BSOLOPNLUGIOCB-CABCVRRESA-N 0 3 350.260 3.134 20 30 FGEDHN COC(=O)COc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594925802 507317403 /nfs/dbraw/zinc/31/74/03/507317403.db2.gz PGEQVUKWIZVPHD-UHFFFAOYSA-N 0 3 350.418 3.083 20 30 FGEDHN CO[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCOC1 ZINC000594950916 507328171 /nfs/dbraw/zinc/32/81/71/507328171.db2.gz KYHAUCKWMFBZBB-IFMALSPDSA-N 0 3 366.461 3.278 20 30 FGEDHN COc1cc(NCCNCc2ccc(C3(C#N)CC3)cc2)cc(OC)c1 ZINC000594959131 507332096 /nfs/dbraw/zinc/33/20/96/507332096.db2.gz UDFYHAPBWOOGKR-UHFFFAOYSA-N 0 3 351.450 3.461 20 30 FGEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591759610 507350553 /nfs/dbraw/zinc/35/05/53/507350553.db2.gz PQTAMYSKCPOKCT-VGSWGCGISA-N 0 3 362.477 3.082 20 30 FGEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591759607 507351216 /nfs/dbraw/zinc/35/12/16/507351216.db2.gz PQTAMYSKCPOKCT-HTAPYJJXSA-N 0 3 362.477 3.082 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000591768328 507353268 /nfs/dbraw/zinc/35/32/68/507353268.db2.gz YSQSEGGAGYQJQC-YWZLYKJASA-N 0 3 358.388 3.243 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)NCC3(C#N)CCCCC3)cc2)CC1 ZINC000598308663 507370851 /nfs/dbraw/zinc/37/08/51/507370851.db2.gz OZEGCPGKIWUZGW-UHFFFAOYSA-N 0 3 368.525 3.421 20 30 FGEDHN CCCN1CC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000598342778 507385454 /nfs/dbraw/zinc/38/54/54/507385454.db2.gz QCNPGCBSVDILLB-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H](O)COCc1ccccc1 ZINC000614167022 507392035 /nfs/dbraw/zinc/39/20/35/507392035.db2.gz ZVDCLNDLCGSOQW-NRFANRHFSA-N 0 3 352.478 3.497 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000591900233 507402104 /nfs/dbraw/zinc/40/21/04/507402104.db2.gz HNSMCTODWNESAO-OAHLLOKOSA-N 0 3 371.916 3.445 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000601622105 507406083 /nfs/dbraw/zinc/40/60/83/507406083.db2.gz RLNBJEYYRLYLPG-HNNXBMFYSA-N 0 3 351.450 3.446 20 30 FGEDHN N#Cc1ccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1Cl ZINC000595249358 507438269 /nfs/dbraw/zinc/43/82/69/507438269.db2.gz WENORKUDFBVACY-GOSISDBHSA-N 0 3 370.840 3.194 20 30 FGEDHN N#CCc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000592025659 507456910 /nfs/dbraw/zinc/45/69/10/507456910.db2.gz ZZHCGMSTTFWMEQ-UHFFFAOYSA-N 0 3 362.477 3.170 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000610967419 507457099 /nfs/dbraw/zinc/45/70/99/507457099.db2.gz QMTWDVYOVALCCD-PZJWPPBQSA-N 0 3 352.434 3.035 20 30 FGEDHN N#Cc1ccc(CCN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000595361372 507470718 /nfs/dbraw/zinc/47/07/18/507470718.db2.gz UEAKUVAVAHVCMK-UHFFFAOYSA-N 0 3 367.518 3.233 20 30 FGEDHN C=CCCCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000584729502 507473803 /nfs/dbraw/zinc/47/38/03/507473803.db2.gz AWEZGHIBTZLXSJ-QUCCMNQESA-N 0 3 371.525 3.018 20 30 FGEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000598536188 507475101 /nfs/dbraw/zinc/47/51/01/507475101.db2.gz NZIMKHWEOQSSPP-LJQANCHMSA-N 0 3 369.509 3.203 20 30 FGEDHN C=CCOc1ccc(CN[C@H](C)Cn2cc(Br)cn2)cc1 ZINC000584736514 507477041 /nfs/dbraw/zinc/47/70/41/507477041.db2.gz YAAZDLUZXJQFKN-CYBMUJFWSA-N 0 3 350.260 3.389 20 30 FGEDHN CC[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000595446568 507501284 /nfs/dbraw/zinc/50/12/84/507501284.db2.gz CYYRSBNSYOVTCB-XLIONFOSSA-N 0 3 354.498 3.159 20 30 FGEDHN Cc1cc(C)c2c(c1)CN(C[C@@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000614415991 507502169 /nfs/dbraw/zinc/50/21/69/507502169.db2.gz HCHNNHTYSHRIHC-HXUWFJFHSA-N 0 3 350.462 3.168 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C[C@@H](O)CC(C)(C)C#N ZINC000598609088 507516183 /nfs/dbraw/zinc/51/61/83/507516183.db2.gz QDEYKCKDCCDSHF-TWMKSMIVSA-N 0 3 350.503 3.262 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H](C(C)C)C2(CO)CC=CC2)c(C#N)c1C ZINC000592176337 507524886 /nfs/dbraw/zinc/52/48/86/507524886.db2.gz QWJZSNQJFIUPRQ-KRWDZBQOSA-N 0 3 361.511 3.118 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000611225356 507568782 /nfs/dbraw/zinc/56/87/82/507568782.db2.gz KQSSNCKRBRBXEU-CABCVRRESA-N 0 3 374.554 3.242 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000592297040 507599031 /nfs/dbraw/zinc/59/90/31/507599031.db2.gz UNPOQIDDAMCJKF-INIZCTEOSA-N 0 3 373.497 3.076 20 30 FGEDHN N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)c(F)c1 ZINC000602150958 507606896 /nfs/dbraw/zinc/60/68/96/507606896.db2.gz DLIORSQCDMRVHM-IBGZPJMESA-N 0 3 371.456 3.084 20 30 FGEDHN Cc1cc(F)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(F)c1 ZINC000598815127 507616551 /nfs/dbraw/zinc/61/65/51/507616551.db2.gz MHXVIWVQQWXWGG-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@H](CCO)c3ccccc3F)CC2)cc1 ZINC000592376375 507625012 /nfs/dbraw/zinc/62/50/12/507625012.db2.gz HZGMQKLVHVZTQF-JOCHJYFZSA-N 0 3 367.468 3.375 20 30 FGEDHN CNC(=O)[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)Cc1ccc(F)cc1C ZINC000592391646 507634629 /nfs/dbraw/zinc/63/46/29/507634629.db2.gz SEYHPGJXIPZDIW-RDTXWAMCSA-N 0 3 371.431 3.400 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCCS(=O)(=O)c1ccccc1 ZINC000611391699 507658453 /nfs/dbraw/zinc/65/84/53/507658453.db2.gz AGKUOPUXXXOUHQ-HXUWFJFHSA-N 0 3 354.475 3.389 20 30 FGEDHN CCC[C@@H](C#N)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000602295448 507658612 /nfs/dbraw/zinc/65/86/12/507658612.db2.gz DHGIYGLZSRDMPA-RCCFBDPRSA-N 0 3 368.506 3.167 20 30 FGEDHN CCCN(CCN1CCCC1)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000586779546 507669142 /nfs/dbraw/zinc/66/91/42/507669142.db2.gz NPKKCUDDJKPIMI-UHFFFAOYSA-N 0 3 351.498 3.360 20 30 FGEDHN N#Cc1cc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccn1 ZINC000586786253 507671130 /nfs/dbraw/zinc/67/11/30/507671130.db2.gz GVTZZIPPUBBCOH-SFHVURJKSA-N 0 3 361.367 3.463 20 30 FGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000595784459 507683125 /nfs/dbraw/zinc/68/31/25/507683125.db2.gz KEUPBTUGCFUFMS-OXQOHEQNSA-N 0 3 354.498 3.355 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)Nc1ccccc1CN1CCC(CO)CC1 ZINC000602489736 507723735 /nfs/dbraw/zinc/72/37/35/507723735.db2.gz OCBZLLSNWSUITA-GOSISDBHSA-N 0 3 371.525 3.402 20 30 FGEDHN CCOc1c(OC)cc(CN[C@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602524968 507736763 /nfs/dbraw/zinc/73/67/63/507736763.db2.gz PGPROYMNHHHVCD-OAHLLOKOSA-N 0 3 362.470 3.291 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909725 507737059 /nfs/dbraw/zinc/73/70/59/507737059.db2.gz MXXCKUINPPQJPS-WXWSQDCUSA-N 0 3 373.541 3.198 20 30 FGEDHN C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@@H](N)c1ccccc1 ZINC000595967094 507752315 /nfs/dbraw/zinc/75/23/15/507752315.db2.gz DDNOISYSGHRQED-OXQOHEQNSA-N 0 3 363.461 3.016 20 30 FGEDHN C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000821614800 606165992 /nfs/dbraw/zinc/16/59/92/606165992.db2.gz VLMUSHJRKGAGQS-UHFFFAOYSA-N 0 3 363.469 3.423 20 30 FGEDHN C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000821614800 606165993 /nfs/dbraw/zinc/16/59/93/606165993.db2.gz VLMUSHJRKGAGQS-UHFFFAOYSA-N 0 3 363.469 3.423 20 30 FGEDHN C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821614800 606165994 /nfs/dbraw/zinc/16/59/94/606165994.db2.gz VLMUSHJRKGAGQS-UHFFFAOYSA-N 0 3 363.469 3.423 20 30 FGEDHN C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821614800 606165995 /nfs/dbraw/zinc/16/59/95/606165995.db2.gz VLMUSHJRKGAGQS-UHFFFAOYSA-N 0 3 363.469 3.423 20 30 FGEDHN N#Cc1ccc(C[N@H+](CCCOc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822825701 606890275 /nfs/dbraw/zinc/89/02/75/606890275.db2.gz LXQHKLZKHQBTJN-UHFFFAOYSA-N 0 3 374.448 3.172 20 30 FGEDHN N#Cc1ccc(C[N@@H+](CCCOc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822825701 606890277 /nfs/dbraw/zinc/89/02/77/606890277.db2.gz LXQHKLZKHQBTJN-UHFFFAOYSA-N 0 3 374.448 3.172 20 30 FGEDHN N#CC(C(=O)CCc1ccccc1Br)C(=O)NC1CCCC1 ZINC000051653863 695914305 /nfs/dbraw/zinc/91/43/05/695914305.db2.gz YIRKNCYLDRNQIE-AWEZNQCLSA-N 0 3 363.255 3.149 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000108711239 700527566 /nfs/dbraw/zinc/52/75/66/700527566.db2.gz PRBBBANHYZDWAX-IBGZPJMESA-N 0 3 356.466 3.438 20 30 FGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000113144755 700568161 /nfs/dbraw/zinc/56/81/61/700568161.db2.gz KYHLVJXLAHGYMX-NSHDSACASA-N 0 3 364.188 3.358 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCCOC1 ZINC000171035457 705371782 /nfs/dbraw/zinc/37/17/82/705371782.db2.gz XOVDBSSGDGBDKG-ZWNOBZJWSA-N 0 3 354.378 3.075 20 30 FGEDHN N#CC(C(=O)CSC[C@@H]1CCCCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000171364389 705382227 /nfs/dbraw/zinc/38/22/27/705382227.db2.gz PUGGYFPXVHOSFK-LSDHHAIUSA-N 0 3 366.870 3.290 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2CC[C@H](C)O2)cc1Cl ZINC000173979963 705480800 /nfs/dbraw/zinc/48/08/00/705480800.db2.gz HYZUQUGQOJZLNA-IACUBPJLSA-N 0 3 364.829 3.344 20 30 FGEDHN CCC(CC)(CN[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000192698591 712871201 /nfs/dbraw/zinc/87/12/01/712871201.db2.gz IHJTVHNUGUKEAW-GFCCVEGCSA-N 0 3 365.861 3.108 20 30 FGEDHN CC(C)c1noc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000193401178 712889956 /nfs/dbraw/zinc/88/99/56/712889956.db2.gz LWBUIIXYSPPWHL-ZDUSSCGKSA-N 0 3 360.801 3.127 20 30 FGEDHN C=C(Br)CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000194823884 713536592 /nfs/dbraw/zinc/53/65/92/713536592.db2.gz MMYCBKSASCSKLG-UHFFFAOYSA-N 0 3 368.319 3.101 20 30 FGEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)N(C)CC(F)(F)F ZINC000194905756 713539074 /nfs/dbraw/zinc/53/90/74/713539074.db2.gz SGDYQDQKHXJFLC-JQWIXIFHSA-N 0 3 368.384 3.264 20 30 FGEDHN C[C@H](CN1CCOCC1)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374955752 713955885 /nfs/dbraw/zinc/95/58/85/713955885.db2.gz YDZUHVRMXNIPFC-CABCVRRESA-N 0 3 356.495 3.053 20 30 FGEDHN C[C@@H](N[C@@H](C)CN1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374955756 713955900 /nfs/dbraw/zinc/95/59/00/713955900.db2.gz YDZUHVRMXNIPFC-LSDHHAIUSA-N 0 3 356.495 3.053 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000426449645 714018746 /nfs/dbraw/zinc/01/87/46/714018746.db2.gz INKHLWARRJTEAD-HNNXBMFYSA-N 0 3 356.392 3.301 20 30 FGEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C)C1 ZINC000525386660 714348836 /nfs/dbraw/zinc/34/88/36/714348836.db2.gz BILHWIHLBCZPNH-MRXNPFEDSA-N 0 3 363.527 3.046 20 30 FGEDHN OC[C@H](NCCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000526058085 714400861 /nfs/dbraw/zinc/40/08/61/714400861.db2.gz JMPZKQIPARQANI-NSHDSACASA-N 0 3 363.273 3.245 20 30 FGEDHN C=CCC1(NCc2ccc(S(=O)(=O)N3CCCC3)o2)CCCCC1 ZINC000625936962 715814237 /nfs/dbraw/zinc/81/42/37/715814237.db2.gz DOJWKYMVWHWNLC-UHFFFAOYSA-N 0 3 352.500 3.433 20 30 FGEDHN CC(C)(C)OC(=O)N[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000799116557 723988761 /nfs/dbraw/zinc/98/87/61/723988761.db2.gz NYAKEVYDZDFHDT-INIZCTEOSA-N 0 3 351.491 3.076 20 30 FGEDHN C=CCN(CCC(=O)NCc1cnc(C)s1)Cc1ccc(OC)cc1 ZINC000639456292 717558229 /nfs/dbraw/zinc/55/82/29/717558229.db2.gz JGQHATYPMLMBDB-UHFFFAOYSA-N 0 3 359.495 3.155 20 30 FGEDHN C=CCCn1cc(CNc2ccc(CN3CCSCC3)cc2C)nn1 ZINC000657406700 719643215 /nfs/dbraw/zinc/64/32/15/719643215.db2.gz BTJBHPJRSDZRFI-UHFFFAOYSA-N 0 3 357.527 3.324 20 30 FGEDHN N#CC1(c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2)CCC1 ZINC001164722927 720381525 /nfs/dbraw/zinc/38/15/25/720381525.db2.gz DTDDOWKMAKCWMU-UXHICEINSA-N 0 3 359.477 3.275 20 30 FGEDHN C=CCOc1c(Br)cc(CNC2([C@H](C)O)CC2)cc1OCC ZINC000668697284 721334752 /nfs/dbraw/zinc/33/47/52/721334752.db2.gz ZIROCHMYGGLFPK-LBPRGKRZSA-N 0 3 370.287 3.416 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000783530960 724761778 /nfs/dbraw/zinc/76/17/78/724761778.db2.gz FKLJQQOOLIYYBB-FQEVSTJZSA-N 0 3 359.491 3.169 20 30 FGEDHN C#CCN(C[C@@H](C)COC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783565980 724765743 /nfs/dbraw/zinc/76/57/43/724765743.db2.gz AANWIVDOFHIBHV-CZUORRHYSA-N 0 3 352.272 3.490 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1 ZINC000674434939 721691765 /nfs/dbraw/zinc/69/17/65/721691765.db2.gz NWDBTKXDLVQMIN-RYUDHWBXSA-N 0 3 373.341 3.019 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC1CCN(c2cc(C)[nH]n2)CC1 ZINC000783996086 724811096 /nfs/dbraw/zinc/81/10/96/724811096.db2.gz BVUKQXJRWBVYPS-UHFFFAOYSA-N 0 3 358.873 3.142 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(Cl)nc1 ZINC000727076788 722440978 /nfs/dbraw/zinc/44/09/78/722440978.db2.gz LZHRAXNEHYBUGS-UHFFFAOYSA-N 0 3 373.913 3.367 20 30 FGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cc2c(s1)CCOC2 ZINC000728767175 722454259 /nfs/dbraw/zinc/45/42/59/722454259.db2.gz WWBAYIXFFCSCNK-NSHDSACASA-N 0 3 360.822 3.435 20 30 FGEDHN CCC(=O)N[C@@H](C)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000729070239 722456799 /nfs/dbraw/zinc/45/67/99/722456799.db2.gz NCDBBTYVBWRMFR-WPRPVWTQSA-N 0 3 369.368 3.406 20 30 FGEDHN CCC(=O)N[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000729088746 722457154 /nfs/dbraw/zinc/45/71/54/722457154.db2.gz GQLWBHHNJLTWCP-NXEZZACHSA-N 0 3 363.389 3.179 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 ZINC000730125331 722465430 /nfs/dbraw/zinc/46/54/30/722465430.db2.gz SWLKBPVTPXWJCT-UHFFFAOYSA-N 0 3 359.861 3.298 20 30 FGEDHN CC(C)c1ccccc1N=C1SCCCN1C(=O)C(C)S(C)(=O)=O ZINC000733085527 722492274 /nfs/dbraw/zinc/49/22/74/722492274.db2.gz GELULSOACAFGMC-ZDUSSCGKSA-N 0 3 368.524 3.196 20 30 FGEDHN C[C@H]1CCCC[C@H]1NC(=S)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000743827894 722571603 /nfs/dbraw/zinc/57/16/03/722571603.db2.gz SBGMNNILDULHBQ-QFBILLFUSA-N 0 3 358.555 3.375 20 30 FGEDHN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000760197437 723042676 /nfs/dbraw/zinc/04/26/76/723042676.db2.gz YEFVEPQPJOOXHT-WBMJQRKESA-N 0 3 360.841 3.317 20 30 FGEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000761036090 723114739 /nfs/dbraw/zinc/11/47/39/723114739.db2.gz INJPIXIQMBXNCE-GUYCJALGSA-N 0 3 366.845 3.447 20 30 FGEDHN N#CC(C(=O)CCc1cncnc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000796748873 723653241 /nfs/dbraw/zinc/65/32/41/723653241.db2.gz WRYLUYVQIPRNOY-LBPRGKRZSA-N 0 3 363.204 3.064 20 30 FGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCc1nc(C)cs1)c1ccccc1 ZINC000774260882 723875868 /nfs/dbraw/zinc/87/58/68/723875868.db2.gz SAPDJHOECJFHCH-HZPDHXFCSA-N 0 3 355.463 3.361 20 30 FGEDHN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(N(C)C)cc1 ZINC000774480945 723898929 /nfs/dbraw/zinc/89/89/29/723898929.db2.gz GJLXIRUCUIJOJX-GUYCJALGSA-N 0 3 354.479 3.142 20 30 FGEDHN Cc1sc(Cl)nc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000798245686 723917542 /nfs/dbraw/zinc/91/75/42/723917542.db2.gz LHGMIQFOYXEYMH-UHFFFAOYSA-N 0 3 362.886 3.181 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CC1 ZINC000798786120 723963465 /nfs/dbraw/zinc/96/34/65/723963465.db2.gz BVOSYHDMUVVTTF-UHFFFAOYSA-N 0 3 356.857 3.118 20 30 FGEDHN C[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)N(C)CC(F)(F)F ZINC000798828219 723967002 /nfs/dbraw/zinc/96/70/02/723967002.db2.gz XBICUYUYPVACNA-SCZZXKLOSA-N 0 3 359.348 3.494 20 30 FGEDHN N#CC(C(=O)CCCC1CCOCC1)C(=O)NCc1cccc(Cl)c1 ZINC000798858406 723969567 /nfs/dbraw/zinc/96/95/67/723969567.db2.gz NKWKCDMAIIMVSP-QGZVFWFLSA-N 0 3 362.857 3.262 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)CCO1 ZINC000776518046 724154283 /nfs/dbraw/zinc/15/42/83/724154283.db2.gz ULRXSYGXATWCAZ-SCVCMEIPSA-N 0 3 355.221 3.456 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCOCC1 ZINC000786308637 724972253 /nfs/dbraw/zinc/97/22/53/724972253.db2.gz QVTNREWKOPFOQE-CMPLNLGQSA-N 0 3 355.221 3.457 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2cccc(Cl)c2F)c1 ZINC000810529986 725312710 /nfs/dbraw/zinc/31/27/10/725312710.db2.gz SJHYNQABZTWZPT-CQSZACIVSA-N 0 3 360.772 3.378 20 30 FGEDHN CC(C)N1C(=O)C[C@@H](NCCOCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000815102448 727038340 /nfs/dbraw/zinc/03/83/40/727038340.db2.gz PBXYWPXTJFZUSQ-AEFFLSMTSA-N 0 3 367.852 3.049 20 30 FGEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000815909281 727106604 /nfs/dbraw/zinc/10/66/04/727106604.db2.gz WIGMMMYOYSILCV-RTXFEEFZSA-N 0 3 352.793 3.332 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000818606007 727316458 /nfs/dbraw/zinc/31/64/58/727316458.db2.gz ATVGZQFTRNPJJI-UHFFFAOYSA-N 0 3 369.412 3.308 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1c(C)cc(Br)cc1Cl ZINC000818602798 727316514 /nfs/dbraw/zinc/31/65/14/727316514.db2.gz FTFKDETYYZLWTD-UHFFFAOYSA-N 0 3 357.679 3.096 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)c2cc(C)oc21 ZINC000818609428 727316899 /nfs/dbraw/zinc/31/68/99/727316899.db2.gz VWWCRRHPYNMOGI-UHFFFAOYSA-N 0 3 363.255 3.189 20 30 FGEDHN COc1ccccc1N1CC[C@@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000876998622 736173473 /nfs/dbraw/zinc/17/34/73/736173473.db2.gz LCUXDSYTXMBLJF-AWEZNQCLSA-N 0 3 356.857 3.231 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C#Cc1cccs1 ZINC000825818629 729396315 /nfs/dbraw/zinc/39/63/15/729396315.db2.gz BNNJYZUVFLOSPE-SFHVURJKSA-N 0 3 353.491 3.008 20 30 FGEDHN CC[C@H](C)[C@H](NC(=O)OC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000835388493 729884915 /nfs/dbraw/zinc/88/49/15/729884915.db2.gz SDFRBQJETPNVST-LOWVWBTDSA-N 0 3 351.472 3.388 20 30 FGEDHN CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)C(=O)NCc1cccs1 ZINC000842748847 730539003 /nfs/dbraw/zinc/53/90/03/730539003.db2.gz SQWJYUURTSSRGZ-KDOFPFPSSA-N 0 3 357.479 3.224 20 30 FGEDHN CC[C@H]1COC(C)(C)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000844388119 730711295 /nfs/dbraw/zinc/71/12/95/730711295.db2.gz WUDZUECXGOVPSQ-UONOGXRCSA-N 0 3 357.479 3.362 20 30 FGEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C2(CCC2)CO1 ZINC000844422254 730715863 /nfs/dbraw/zinc/71/58/63/730715863.db2.gz LELMUUNWSPQIRR-KBPBESRZSA-N 0 3 355.463 3.116 20 30 FGEDHN C=CCN1CCC(NC(=O)C(F)(F)c2ccccc2OC(C)C)CC1 ZINC000847452624 731056451 /nfs/dbraw/zinc/05/64/51/731056451.db2.gz VFHASGVQLVWFKS-UHFFFAOYSA-N 0 3 352.425 3.332 20 30 FGEDHN OCc1ccc(Br)c(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848412197 731161803 /nfs/dbraw/zinc/16/18/03/731161803.db2.gz KZPLWCNSERIQSP-INIZCTEOSA-N 0 3 352.276 3.358 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849272081 731240030 /nfs/dbraw/zinc/24/00/30/731240030.db2.gz AVVPFXGHMKGCPC-SFHVURJKSA-N 0 3 356.539 3.151 20 30 FGEDHN CO[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000850756623 731385394 /nfs/dbraw/zinc/38/53/94/731385394.db2.gz SHFJMHNTCNOZGE-SUHUHFCYSA-N 0 3 368.405 3.464 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852731473 731626808 /nfs/dbraw/zinc/62/68/08/731626808.db2.gz JURGQPKIWKCBCN-RBUKOAKNSA-N 0 3 352.906 3.412 20 30 FGEDHN C=CCCC(C)(C)CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000865679409 733250868 /nfs/dbraw/zinc/25/08/68/733250868.db2.gz RSICJCWIIXYYEA-AWEZNQCLSA-N 0 3 373.950 3.287 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(C3CC3)n2)cc1 ZINC000873498608 735770226 /nfs/dbraw/zinc/77/02/26/735770226.db2.gz XNDHMBLVRCRTEP-INIZCTEOSA-N 0 3 353.447 3.473 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000876621699 736122522 /nfs/dbraw/zinc/12/25/22/736122522.db2.gz FZJRPNZMHNDPPF-GDBMZVCRSA-N 0 3 363.889 3.418 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000876653330 736127082 /nfs/dbraw/zinc/12/70/82/736127082.db2.gz MVVHOHYYNRMUKC-JKSUJKDBSA-N 0 3 357.281 3.082 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC000877130488 736190641 /nfs/dbraw/zinc/19/06/41/736190641.db2.gz RPDSWPSKJIOWPU-AWEZNQCLSA-N 0 3 357.679 3.112 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000877306255 736205340 /nfs/dbraw/zinc/20/53/40/736205340.db2.gz KYFWKAWQOFZKRS-HNNXBMFYSA-N 0 3 364.287 3.008 20 30 FGEDHN N#CCc1cccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000881156429 737296206 /nfs/dbraw/zinc/29/62/06/737296206.db2.gz WDWMFTOZSOLIGU-OAHLLOKOSA-N 0 3 355.467 3.168 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000884047951 737628064 /nfs/dbraw/zinc/62/80/64/737628064.db2.gz SBXRKOHARXALHH-KGXJWFGYSA-N 0 3 357.763 3.437 20 30 FGEDHN Cc1nc(-c2cccc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)c2)cs1 ZINC000884057989 737629292 /nfs/dbraw/zinc/62/92/92/737629292.db2.gz XMGHXFLFPNABNS-XAUUPUKJSA-N 0 3 352.463 3.196 20 30 FGEDHN C=CCC1(O)CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000884056283 737629353 /nfs/dbraw/zinc/62/93/53/737629353.db2.gz RPAKANDJWIUWSW-KRWDZBQOSA-N 0 3 365.543 3.244 20 30 FGEDHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884099172 737632906 /nfs/dbraw/zinc/63/29/06/737632906.db2.gz GUROSQQQROWVQN-FVRSWCFKSA-N 0 3 366.292 3.481 20 30 FGEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1C(F)(F)F ZINC000884101848 737633501 /nfs/dbraw/zinc/63/35/01/737633501.db2.gz JVJUPRQDAVNYSA-QGXCKBJSSA-N 0 3 351.372 3.022 20 30 FGEDHN C#Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c(Cl)c1 ZINC000885669799 739178416 /nfs/dbraw/zinc/17/84/16/739178416.db2.gz MLDOTXLURSYJET-NWDGAFQWSA-N 0 3 361.747 3.244 20 30 FGEDHN C#CCN(C(=O)[C@@H](C)c1cccc(Br)c1)C1CCN(C)CC1 ZINC000886575616 739270875 /nfs/dbraw/zinc/27/08/75/739270875.db2.gz BWPMMSQIVQIKFW-AWEZNQCLSA-N 0 3 363.299 3.109 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1sc(C)nc1C ZINC000892497637 740007244 /nfs/dbraw/zinc/00/72/44/740007244.db2.gz UABZZZMFKGQFAL-ZDUSSCGKSA-N 0 3 357.435 3.049 20 30 FGEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000895013087 742363797 /nfs/dbraw/zinc/36/37/97/742363797.db2.gz XTOOAOIAXINTHL-AWEZNQCLSA-N 0 3 362.861 3.329 20 30 FGEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000895013087 742363799 /nfs/dbraw/zinc/36/37/99/742363799.db2.gz XTOOAOIAXINTHL-AWEZNQCLSA-N 0 3 362.861 3.329 20 30 FGEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000895013087 742363804 /nfs/dbraw/zinc/36/38/04/742363804.db2.gz XTOOAOIAXINTHL-AWEZNQCLSA-N 0 3 362.861 3.329 20 30 FGEDHN N#CC(C(=O)c1cc[n+]([O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000915104557 757879628 /nfs/dbraw/zinc/87/96/28/757879628.db2.gz RIUHZKLDYSNRJV-NSHDSACASA-N 0 3 363.320 3.439 20 30 FGEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000916910929 758154063 /nfs/dbraw/zinc/15/40/63/758154063.db2.gz KSVZEGACXJDBQZ-CYBMUJFWSA-N 0 3 357.797 3.483 20 30 FGEDHN Cc1ncc(CN(C)CC(=O)C(C#N)c2nc3ccccc3s2)s1 ZINC000917152012 758185191 /nfs/dbraw/zinc/18/51/91/758185191.db2.gz UDRSFZUGRSUOBD-CYBMUJFWSA-N 0 3 356.476 3.370 20 30 FGEDHN N#CC(C(=O)CCn1cc(Br)cn1)c1ccc2ccccc2n1 ZINC000917423451 758220307 /nfs/dbraw/zinc/22/03/07/758220307.db2.gz YSVNNWYBYARSEK-AWEZNQCLSA-N 0 3 369.222 3.460 20 30 FGEDHN N#CC(C(=O)CCc1nccs1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000920110034 758512014 /nfs/dbraw/zinc/51/20/14/758512014.db2.gz MJPXHOIXPSWHQN-JTQLQIEISA-N 0 3 351.790 3.216 20 30 FGEDHN OCCCCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944569 761281596 /nfs/dbraw/zinc/28/15/96/761281596.db2.gz XJIDJJHRADEXDW-DTORHVGOSA-N 0 3 355.269 3.252 20 30 FGEDHN CCOC(=O)C1([C@@H](C)NCc2ccc(C#N)cc2Cl)CCOCC1 ZINC000933880353 761489544 /nfs/dbraw/zinc/48/95/44/761489544.db2.gz KLPWJXMEFFWFJG-CYBMUJFWSA-N 0 3 350.846 3.050 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCCN(Cc1csc(C)c1)C2 ZINC000982023783 763549443 /nfs/dbraw/zinc/54/94/43/763549443.db2.gz WQLKRTYMUZZQSS-MSOLQXFVSA-N 0 3 360.523 3.072 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CCN(Cc2ccsc2)CC1 ZINC000997589382 765068674 /nfs/dbraw/zinc/06/86/74/765068674.db2.gz OODGEAKYGRZGSC-IPELMVKDSA-N 0 3 362.539 3.446 20 30 FGEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000999157464 765140046 /nfs/dbraw/zinc/14/00/46/765140046.db2.gz LJWQGMMCFIUBIG-NXSPZCGBSA-N 0 3 355.320 3.300 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2c(C)cccc2Cl)C1 ZINC000999426761 765159673 /nfs/dbraw/zinc/15/96/73/765159673.db2.gz CMEZLXXKPSQCCA-FCJNSDPXSA-N 0 3 362.901 3.319 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(CCCc2ccsc2)CC1 ZINC001001162924 765268992 /nfs/dbraw/zinc/26/89/92/765268992.db2.gz KRENQHMLCYRLOV-MOPGFXCFSA-N 0 3 360.523 3.020 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(Cc2cc(C)sc2C)CC1 ZINC001001172421 765270098 /nfs/dbraw/zinc/27/00/98/765270098.db2.gz WAWSFVJDMXUDRC-MOPGFXCFSA-N 0 3 360.523 3.204 20 30 FGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001020719820 765886857 /nfs/dbraw/zinc/88/68/57/765886857.db2.gz ROOFBTCHSSBVAR-MKXGPGLRSA-N 0 3 362.901 3.452 20 30 FGEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001020887878 765889462 /nfs/dbraw/zinc/88/94/62/765889462.db2.gz XQOYUVBSDBOQHN-ZDEQEGDKSA-N 0 3 358.791 3.197 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001027415207 766091662 /nfs/dbraw/zinc/09/16/62/766091662.db2.gz GWYGJWFPBNLLGT-OTWHNJEPSA-N 0 3 362.539 3.461 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001029788112 766152998 /nfs/dbraw/zinc/15/29/98/766152998.db2.gz MPGKMFYWJUNVGB-ALKREAHSSA-N 0 3 357.523 3.336 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cccc(Cl)c1F ZINC001035057842 766254575 /nfs/dbraw/zinc/25/45/75/766254575.db2.gz XORVRQIGPKHHOZ-INMHGKMJSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCN(CC(=C)Cl)C2)CC1 ZINC001039130985 766291725 /nfs/dbraw/zinc/29/17/25/766291725.db2.gz CJYFZEHUBGPLOY-OTWHNJEPSA-N 0 3 366.933 3.281 20 30 FGEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC001040205225 766301283 /nfs/dbraw/zinc/30/12/83/766301283.db2.gz PAVBWAGAQUEYKY-OPYAIIAOSA-N 0 3 356.535 3.498 20 30 FGEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001049528537 766792279 /nfs/dbraw/zinc/79/22/79/766792279.db2.gz GPSNKXBLUMCMAL-WCXIOVBPSA-N 0 3 356.432 3.444 20 30 FGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000535282882 504391200 /nfs/dbraw/zinc/39/12/00/504391200.db2.gz DOKGQPNLGGNOMK-GWCFXTLKSA-N 0 3 354.191 3.114 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000579587007 505581416 /nfs/dbraw/zinc/58/14/16/505581416.db2.gz QOIZGJSRXWBDLV-DYESRHJHSA-N 0 3 362.477 3.215 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000573765536 505613887 /nfs/dbraw/zinc/61/38/87/505613887.db2.gz HAPNMYGKSOLLEI-ASTDHERZSA-N 0 3 361.873 3.332 20 30 FGEDHN C=CCOc1ccccc1CNCCNc1ccc(-c2ccccc2)nn1 ZINC000568116620 505621468 /nfs/dbraw/zinc/62/14/68/505621468.db2.gz JRBOOFMMOYWUCS-UHFFFAOYSA-N 0 3 360.461 3.332 20 30 FGEDHN COc1cc(CNCc2ccc(Cl)cc2-n2cncn2)ccc1C#N ZINC000573886229 505643874 /nfs/dbraw/zinc/64/38/74/505643874.db2.gz IEXRRCQNBGDUKX-UHFFFAOYSA-N 0 3 353.813 3.091 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCSc3ccccc32)cc1 ZINC000580049760 505670695 /nfs/dbraw/zinc/67/06/95/505670695.db2.gz JQUIQEWZORIFCL-LPHOPBHVSA-N 0 3 354.475 3.319 20 30 FGEDHN COc1cccc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000068310482 493794700 /nfs/dbraw/zinc/79/47/00/493794700.db2.gz GVBDFRGRGLMBQA-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@H](C)N2CCCC[C@H]2C)c(C#N)c(C)c1C ZINC000058230779 493836665 /nfs/dbraw/zinc/83/66/65/493836665.db2.gz HQXBSAXRIQQGPN-KGLIPLIRSA-N 0 3 374.554 3.350 20 30 FGEDHN CC1CCN(CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000076201796 493843070 /nfs/dbraw/zinc/84/30/70/493843070.db2.gz KGLFRNAGGTZYHM-UHFFFAOYSA-N 0 3 367.449 3.192 20 30 FGEDHN CC(C)N1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000068776830 493870442 /nfs/dbraw/zinc/87/04/42/493870442.db2.gz HYNSFNXGNIHSDQ-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN C[C@](C#N)(NC(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1)C1CC1 ZINC000076343008 493871877 /nfs/dbraw/zinc/87/18/77/493871877.db2.gz MXWOADDYAIEVBW-JOCHJYFZSA-N 0 3 367.493 3.175 20 30 FGEDHN Cc1cc2ccccc2n1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000058967089 493897338 /nfs/dbraw/zinc/89/73/38/493897338.db2.gz QBHVETSLAWTYEZ-UHFFFAOYSA-N 0 3 374.488 3.412 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNCCOC[C@@H]2CCOC2)c1 ZINC000068994685 493904433 /nfs/dbraw/zinc/90/44/33/493904433.db2.gz CBUQNYUFZHTKCZ-LJQANCHMSA-N 0 3 366.461 3.280 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1sccc1C#N)c1cccc(OC)c1 ZINC000052029462 494000144 /nfs/dbraw/zinc/00/01/44/494000144.db2.gz NMKOHECVFZCUGE-KRWDZBQOSA-N 0 3 357.479 3.441 20 30 FGEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc2ccccc21 ZINC000568440087 505694019 /nfs/dbraw/zinc/69/40/19/505694019.db2.gz KJJGTUGVGCAYEM-OAHLLOKOSA-N 0 3 365.458 3.231 20 30 FGEDHN N#Cc1csc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000084089068 494047660 /nfs/dbraw/zinc/04/76/60/494047660.db2.gz CYAZWHWKIHXKAF-UHFFFAOYSA-N 0 3 357.504 3.463 20 30 FGEDHN C/C=C\c1ccc(OC[C@H](O)CNCc2ccc(C#N)s2)c(OC)c1 ZINC000580185751 505698500 /nfs/dbraw/zinc/69/85/00/505698500.db2.gz UTYIVFPTRGXCGF-ABCZVMIZSA-N 0 3 358.463 3.191 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000063774561 494086290 /nfs/dbraw/zinc/08/62/90/494086290.db2.gz PBOVMEMCKMZMPM-MRXNPFEDSA-N 0 3 357.498 3.294 20 30 FGEDHN CN(CCCOc1cccc(Cl)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000071950519 494111138 /nfs/dbraw/zinc/11/11/38/494111138.db2.gz OAHLMIHXWYHQNH-GOSISDBHSA-N 0 3 374.868 3.352 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000077823060 494186727 /nfs/dbraw/zinc/18/67/27/494186727.db2.gz RCLRPIJSWZTJBF-QRVBRYPASA-N 0 3 363.546 3.262 20 30 FGEDHN N#Cc1ccc(N2CCN(CC3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000077981504 494209385 /nfs/dbraw/zinc/20/93/85/494209385.db2.gz BMKCFWAKKFGNGQ-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN CC[C@@H]1CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000042243461 494211740 /nfs/dbraw/zinc/21/17/40/494211740.db2.gz KMCZISVWGAAGBN-QGZVFWFLSA-N 0 3 352.400 3.438 20 30 FGEDHN C[C@H](O)CN(CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000072600510 494214730 /nfs/dbraw/zinc/21/47/30/494214730.db2.gz ATNPEPXEFBZSRR-HNNXBMFYSA-N 0 3 361.511 3.256 20 30 FGEDHN C[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000043041595 494259417 /nfs/dbraw/zinc/25/94/17/494259417.db2.gz VPPFJVWVFJKASN-HLIPFELVSA-N 0 3 356.514 3.456 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(N3CCN(CC4CCOCC4)CC3)c2c1 ZINC000078293074 494271873 /nfs/dbraw/zinc/27/18/73/494271873.db2.gz CECGYUOVZGDKHT-UHFFFAOYSA-N 0 3 364.493 3.272 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000571360993 505714267 /nfs/dbraw/zinc/71/42/67/505714267.db2.gz XCVFAYBUFYSYNN-HXUWFJFHSA-N 0 3 354.498 3.495 20 30 FGEDHN N#CCOc1cccc(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000089595021 494328367 /nfs/dbraw/zinc/32/83/67/494328367.db2.gz VARKZOUTFPVZSS-NRFANRHFSA-N 0 3 363.461 3.085 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000089594987 494328513 /nfs/dbraw/zinc/32/85/13/494328513.db2.gz FZUHATNUKJFIFE-NRFANRHFSA-N 0 3 365.477 3.331 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C(=O)NC)ccc1C)C(C)C ZINC000044180996 494341948 /nfs/dbraw/zinc/34/19/48/494341948.db2.gz BUXVWIWDQCQJNY-IBGZPJMESA-N 0 3 372.513 3.175 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000073649441 494407486 /nfs/dbraw/zinc/40/74/86/494407486.db2.gz HURKGZSUGMAUOH-RBBKRZOGSA-N 0 3 350.462 3.445 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nc(C)c(C)s1)C(C)C ZINC000073710539 494416224 /nfs/dbraw/zinc/41/62/24/494416224.db2.gz KQNMTRKRJVLZHA-INIZCTEOSA-N 0 3 350.532 3.258 20 30 FGEDHN CCOC(=O)CSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000066862971 494428775 /nfs/dbraw/zinc/42/87/75/494428775.db2.gz XXIIEYIKPVDNSX-ZDUSSCGKSA-N 0 3 360.460 3.283 20 30 FGEDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000045697182 494452620 /nfs/dbraw/zinc/45/26/20/494452620.db2.gz KPMJNMCXJJEDGD-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN Cc1ccc(C[C@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000571396952 505724100 /nfs/dbraw/zinc/72/41/00/505724100.db2.gz QRXMTUABIHAWSC-KRWDZBQOSA-N 0 3 356.491 3.170 20 30 FGEDHN Cc1ccc(SC[C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000571397654 505724187 /nfs/dbraw/zinc/72/41/87/505724187.db2.gz NQUDFDZEMPCWLO-WMZOPIPTSA-N 0 3 356.491 3.377 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)CC1 ZINC000067232816 494498531 /nfs/dbraw/zinc/49/85/31/494498531.db2.gz UXDZMMLZMNIXHJ-UHFFFAOYSA-N 0 3 354.372 3.220 20 30 FGEDHN Cc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000568592456 505730684 /nfs/dbraw/zinc/73/06/84/505730684.db2.gz YUXHSCWNDCSIOM-XERREHJYSA-N 0 3 363.465 3.127 20 30 FGEDHN Cc1cccc(OCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010872 494616015 /nfs/dbraw/zinc/61/60/15/494616015.db2.gz KXIGVKNLQPBYQO-UHFFFAOYSA-N 0 3 365.477 3.226 20 30 FGEDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047011336 494616797 /nfs/dbraw/zinc/61/67/97/494616797.db2.gz MIZACGMYJIDJDE-UHFFFAOYSA-N 0 3 351.450 3.161 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000115791886 494623473 /nfs/dbraw/zinc/62/34/73/494623473.db2.gz DRDSXDMKEYCHOW-INIZCTEOSA-N 0 3 367.415 3.040 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000047053058 494627520 /nfs/dbraw/zinc/62/75/20/494627520.db2.gz XCGYINJVDHLJEP-QGZVFWFLSA-N 0 3 350.466 3.393 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000080211015 494641231 /nfs/dbraw/zinc/64/12/31/494641231.db2.gz AMQYMASJUICVDH-OAQYLSRUSA-N 0 3 365.477 3.340 20 30 FGEDHN CN(CCCOc1ccc(S(C)(=O)=O)cc1)CC(C)(C)CCC#N ZINC000092512434 494653231 /nfs/dbraw/zinc/65/32/31/494653231.db2.gz LLZTXSGNZAZOSB-UHFFFAOYSA-N 0 3 352.500 3.121 20 30 FGEDHN N#Cc1ccccc1N1CCCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000091792273 494681686 /nfs/dbraw/zinc/68/16/86/494681686.db2.gz TWJYEPOJGMXYIQ-UHFFFAOYSA-N 0 3 357.461 3.456 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000108365789 494690034 /nfs/dbraw/zinc/69/00/34/494690034.db2.gz PYLJRPWMFJGENS-IRXDYDNUSA-N 0 3 372.538 3.047 20 30 FGEDHN C=CCc1cc(CN2CCC(OC[C@H]3CCCO3)CC2)cc(OC)c1O ZINC000092661691 494701670 /nfs/dbraw/zinc/70/16/70/494701670.db2.gz GJRDDSIZURAZIE-LJQANCHMSA-N 0 3 361.482 3.289 20 30 FGEDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092706169 494719113 /nfs/dbraw/zinc/71/91/13/494719113.db2.gz ADQAGRIUCOOVRC-IBGZPJMESA-N 0 3 357.498 3.353 20 30 FGEDHN C#CCOc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000091949433 494729484 /nfs/dbraw/zinc/72/94/84/494729484.db2.gz ASNDINOEMMLBTC-SFHVURJKSA-N 0 3 354.494 3.169 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000574288000 505739266 /nfs/dbraw/zinc/73/92/66/505739266.db2.gz WVGQILROIGGWAL-NRFANRHFSA-N 0 3 359.473 3.444 20 30 FGEDHN C=CCc1ccc(OCC(=O)N2CCC[C@@H]2CN2CCCCC2)c(OC)c1 ZINC000068135667 494776853 /nfs/dbraw/zinc/77/68/53/494776853.db2.gz TWWCJTYGJKAVFB-LJQANCHMSA-N 0 3 372.509 3.279 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000075504472 494779597 /nfs/dbraw/zinc/77/95/97/494779597.db2.gz IOBIJDNIMCNDFF-KRWDZBQOSA-N 0 3 362.477 3.191 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCC(=O)Nc3ccccc3)CC2)cc1 ZINC000025934014 494790974 /nfs/dbraw/zinc/79/09/74/494790974.db2.gz RQAYNBMEDURBGI-UHFFFAOYSA-N 0 3 362.477 3.095 20 30 FGEDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000026205521 494809562 /nfs/dbraw/zinc/80/95/62/494809562.db2.gz PRWJQAMXOBPCGD-INIZCTEOSA-N 0 3 362.376 3.031 20 30 FGEDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2sccc2C#N)c1 ZINC000109014958 494820885 /nfs/dbraw/zinc/82/08/85/494820885.db2.gz IDYHOXHGMXKYEE-LBPRGKRZSA-N 0 3 356.451 3.258 20 30 FGEDHN COc1ccc(CNC[C@]2(O)CCc3ccccc32)cc1OCCCC#N ZINC000132226029 494842458 /nfs/dbraw/zinc/84/24/58/494842458.db2.gz XZQNLHPSLCTFAK-JOCHJYFZSA-N 0 3 366.461 3.301 20 30 FGEDHN CC(C)n1cnnc1[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000093201387 494842394 /nfs/dbraw/zinc/84/23/94/494842394.db2.gz CPRVJVLPUDITLW-HNNXBMFYSA-N 0 3 372.498 3.000 20 30 FGEDHN Cc1ccccc1O[C@H]1CCCC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000574324038 505747354 /nfs/dbraw/zinc/74/73/54/505747354.db2.gz QUAKLAGUEOOOIL-QUCCMNQESA-N 0 3 361.449 3.389 20 30 FGEDHN Cc1cccnc1[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)C(C)C ZINC000121925727 494892248 /nfs/dbraw/zinc/89/22/48/494892248.db2.gz NXYZRBQZJPPTHM-ICSRJNTNSA-N 0 3 353.466 3.183 20 30 FGEDHN CCN(Cc1cnc2ccc(C#N)cn12)CC1CCN(c2ccccn2)CC1 ZINC000093564653 494901513 /nfs/dbraw/zinc/90/15/13/494901513.db2.gz UPKAIWQORPTGDX-UHFFFAOYSA-N 0 3 374.492 3.339 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H](N(C)C)C2)c1C#N ZINC000109811387 494920665 /nfs/dbraw/zinc/92/06/65/494920665.db2.gz NYIUVMWCSJTBMQ-GOSISDBHSA-N 0 3 371.529 3.056 20 30 FGEDHN C[C@@H](C#N)CNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000580411099 505753768 /nfs/dbraw/zinc/75/37/68/505753768.db2.gz GIYLROPZLAWPJC-FXAWDEMLSA-N 0 3 368.525 3.478 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccsc1 ZINC000110629063 494995751 /nfs/dbraw/zinc/99/57/51/494995751.db2.gz UDBWQGLCUFMHRG-LJQANCHMSA-N 0 3 371.506 3.392 20 30 FGEDHN CN(C(=O)CN[C@@H]1CCCN(C)c2ccccc21)C1(C#N)CCCCC1 ZINC000577578721 505757177 /nfs/dbraw/zinc/75/71/77/505757177.db2.gz HDBGRWUOAOPPME-GOSISDBHSA-N 0 3 354.498 3.232 20 30 FGEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000118802185 495038289 /nfs/dbraw/zinc/03/82/89/495038289.db2.gz JBWPFDZQRIHIEZ-UHFFFAOYSA-N 0 3 370.375 3.059 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000118817015 495041652 /nfs/dbraw/zinc/04/16/52/495041652.db2.gz GJUZZJVCIMDCJQ-IBGZPJMESA-N 0 3 361.486 3.216 20 30 FGEDHN N#Cc1cccc(NC(=O)CN(Cc2ccccc2)CC2CCOCC2)c1 ZINC000111261509 495056370 /nfs/dbraw/zinc/05/63/70/495056370.db2.gz QXIIQLLWRLGKBY-UHFFFAOYSA-N 0 3 363.461 3.426 20 30 FGEDHN C=CCNC(=O)[C@H](C)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000098123179 495059615 /nfs/dbraw/zinc/05/96/15/495059615.db2.gz XVSQZYHICXNRJE-AWEZNQCLSA-N 0 3 370.415 3.034 20 30 FGEDHN C[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000111503834 495082920 /nfs/dbraw/zinc/08/29/20/495082920.db2.gz JZLINYCGNZHXAE-QGZVFWFLSA-N 0 3 350.466 3.220 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000101916893 495108040 /nfs/dbraw/zinc/10/80/40/495108040.db2.gz QTTGJSOWDAZYDE-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN N#CCCCN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916642 495108402 /nfs/dbraw/zinc/10/84/02/495108402.db2.gz HFZGKAMPUMEBDD-UHFFFAOYSA-N 0 3 350.260 3.403 20 30 FGEDHN Cc1nc(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)n[nH]1 ZINC000134116416 495108423 /nfs/dbraw/zinc/10/84/23/495108423.db2.gz MYKMNSBJEJCIQD-HNNXBMFYSA-N 0 3 356.389 3.157 20 30 FGEDHN O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000111769319 495110053 /nfs/dbraw/zinc/11/00/53/495110053.db2.gz OWNLEIKEUXXSTR-OAQYLSRUSA-N 0 3 360.461 3.183 20 30 FGEDHN C[C@@H](CNCc1cnc2ccc(C#N)cn12)c1nc(-c2ccccc2)no1 ZINC000123436119 495132020 /nfs/dbraw/zinc/13/20/20/495132020.db2.gz SAVFKTZVSZVHLU-AWEZNQCLSA-N 0 3 358.405 3.149 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3cc(Br)ccc3F)n2c1 ZINC000123466270 495136583 /nfs/dbraw/zinc/13/65/83/495136583.db2.gz UNPUUHUTTBJHKI-UHFFFAOYSA-N 0 3 373.229 3.440 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000123806320 495189370 /nfs/dbraw/zinc/18/93/70/495189370.db2.gz TXQOXTWAMRCWGR-NSHDSACASA-N 0 3 374.322 3.399 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)N(C)CCC#N ZINC000112536061 495202395 /nfs/dbraw/zinc/20/23/95/495202395.db2.gz KUOWXMKHLGRYLW-STQMWFEESA-N 0 3 357.376 3.039 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000112791683 495241064 /nfs/dbraw/zinc/24/10/64/495241064.db2.gz AVXYHMPVWMIFCS-XLIONFOSSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1F)C(C)C ZINC000112919810 495258221 /nfs/dbraw/zinc/25/82/21/495258221.db2.gz SKYCQFSNFIXKKH-IBGZPJMESA-N 0 3 361.461 3.213 20 30 FGEDHN C=CCC(CC=C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000124486514 495295633 /nfs/dbraw/zinc/29/56/33/495295633.db2.gz QSUCLSBJPUYGTJ-UHFFFAOYSA-N 0 3 355.482 3.091 20 30 FGEDHN C#CCCOc1ccc(CNCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113314959 495295749 /nfs/dbraw/zinc/29/57/49/495295749.db2.gz DAOIMVQQYJTHCH-UHFFFAOYSA-N 0 3 355.434 3.404 20 30 FGEDHN CN(CCC#N)c1ccc(CNCCNC(=O)c2ccccc2Cl)cc1 ZINC000113350860 495298709 /nfs/dbraw/zinc/29/87/09/495298709.db2.gz RACKGTFIASDHCP-UHFFFAOYSA-N 0 3 370.884 3.209 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2ncccc21 ZINC000129885043 495310804 /nfs/dbraw/zinc/31/08/04/495310804.db2.gz LQJFWLLNTMIJSJ-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN CN(C(=O)NCc1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000113590025 495318303 /nfs/dbraw/zinc/31/83/03/495318303.db2.gz KKWQVEVODYAZFU-UHFFFAOYSA-N 0 3 362.477 3.364 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000113590072 495318480 /nfs/dbraw/zinc/31/84/80/495318480.db2.gz YNNPLKAYJQCUEO-MRXNPFEDSA-N 0 3 350.466 3.487 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000113590185 495318641 /nfs/dbraw/zinc/31/86/41/495318641.db2.gz SGKDOYILRUDEBX-INIZCTEOSA-N 0 3 350.466 3.487 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130268547 495365427 /nfs/dbraw/zinc/36/54/27/495365427.db2.gz PPJSCLAMTZRQCB-UHFFFAOYSA-N 0 3 364.405 3.460 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC000106040162 495407074 /nfs/dbraw/zinc/40/70/74/495407074.db2.gz GHCJPNBOKNLROU-AATRIKPKSA-N 0 3 358.482 3.264 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000106264693 495440476 /nfs/dbraw/zinc/44/04/76/495440476.db2.gz SSMLUXQSNYULFR-UHFFFAOYSA-N 0 3 371.525 3.075 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC3CCCC3)nc2)CC1 ZINC000106261190 495441215 /nfs/dbraw/zinc/44/12/15/495441215.db2.gz NBGIWOMQCJVTJV-UHFFFAOYSA-N 0 3 372.513 3.243 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](c2ccco2)N(CC)CC)CC1 ZINC000106335969 495445407 /nfs/dbraw/zinc/44/54/07/495445407.db2.gz WQVBHMJRFDYVOR-GOSISDBHSA-N 0 3 362.518 3.002 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000106340959 495446898 /nfs/dbraw/zinc/44/68/98/495446898.db2.gz RMYNVGMWGMRPTB-UHFFFAOYSA-N 0 3 372.469 3.333 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C[C@@H](C)O)cc1OCC ZINC000130822554 495450952 /nfs/dbraw/zinc/45/09/52/495450952.db2.gz YNTALEHZAGNDMX-GFCCVEGCSA-N 0 3 358.276 3.225 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000120857353 495472717 /nfs/dbraw/zinc/47/27/17/495472717.db2.gz RZZKWISVVVPCBD-CQSZACIVSA-N 0 3 356.388 3.436 20 30 FGEDHN Cn1cc(CNCCSCc2ccccc2C#N)c(-c2cccnc2)n1 ZINC000139314275 495476647 /nfs/dbraw/zinc/47/66/47/495476647.db2.gz ANMPGOBDKOWTDD-UHFFFAOYSA-N 0 3 363.490 3.377 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125722567 495488121 /nfs/dbraw/zinc/48/81/21/495488121.db2.gz LMPFMDZHEOBTQI-INIZCTEOSA-N 0 3 357.475 3.094 20 30 FGEDHN C=C(C)COCCNCc1cc(Br)c2c(c1)OCCCO2 ZINC000125776786 495497192 /nfs/dbraw/zinc/49/71/92/495497192.db2.gz DWRYNOGWKHHLFA-UHFFFAOYSA-N 0 3 356.260 3.293 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000121042732 495510065 /nfs/dbraw/zinc/51/00/65/495510065.db2.gz HKZQOQMRXVNDJR-UHFFFAOYSA-N 0 3 354.494 3.313 20 30 FGEDHN N#Cc1ccc(C(F)(F)F)c(N2CCN(CC3CCOCC3)CC2)c1 ZINC000185448006 495580886 /nfs/dbraw/zinc/58/08/86/495580886.db2.gz ZBXJDYPKSZRCJB-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN N#Cc1c2c(cnc1NCC1CCN(Cc3cccs3)CC1)CCC2 ZINC000571671787 505787406 /nfs/dbraw/zinc/78/74/06/505787406.db2.gz ISITXNLUMDVFDF-UHFFFAOYSA-N 0 3 352.507 3.249 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2Cl)CC1 ZINC000176498791 495674361 /nfs/dbraw/zinc/67/43/61/495674361.db2.gz WXVDDOVZXXEZKE-OAHLLOKOSA-N 0 3 365.905 3.447 20 30 FGEDHN N#Cc1cccc(NCC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000151170536 495761215 /nfs/dbraw/zinc/76/12/15/495761215.db2.gz OREREKUQWQEPET-UHFFFAOYSA-N 0 3 362.477 3.272 20 30 FGEDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1 ZINC000176723338 495763948 /nfs/dbraw/zinc/76/39/48/495763948.db2.gz VPGLWJNCNCXTRT-UHFFFAOYSA-N 0 3 351.454 3.166 20 30 FGEDHN CN(CCO)c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182952926 495772378 /nfs/dbraw/zinc/77/23/78/495772378.db2.gz DMWRPSCPGXXCFK-UHFFFAOYSA-N 0 3 364.493 3.063 20 30 FGEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1C(F)(F)F ZINC000174096881 495820089 /nfs/dbraw/zinc/82/00/89/495820089.db2.gz TUVAMFXLGBKXGW-AWEZNQCLSA-N 0 3 352.360 3.279 20 30 FGEDHN N#CCSCCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000174126403 495829541 /nfs/dbraw/zinc/82/95/41/495829541.db2.gz KOPBNMPQSXQHKP-UHFFFAOYSA-N 0 3 367.902 3.343 20 30 FGEDHN C=C(C)COCCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186114104 495861014 /nfs/dbraw/zinc/86/10/14/495861014.db2.gz VKGMDLMHUVVLGD-RTBURBONSA-N 0 3 351.512 3.262 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)c2ccnc(OCCN(C)C)c2)c1 ZINC000183161382 495862161 /nfs/dbraw/zinc/86/21/61/495862161.db2.gz DGMVOKQNPBELJY-UHFFFAOYSA-N 0 3 355.438 3.229 20 30 FGEDHN O=C(NCCN[C@@H](c1ccc(F)cc1)C1CCCC1)C1N=CC=CC1=O ZINC000180176870 495892383 /nfs/dbraw/zinc/89/23/83/495892383.db2.gz HBXXKDLGKXIGSL-PXBNPBHZSA-N 0 3 357.429 3.173 20 30 FGEDHN C[C@@H](CCc1cccc(F)c1)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000183411006 495971363 /nfs/dbraw/zinc/97/13/63/495971363.db2.gz PUPYNBONIXOHEO-JKSUJKDBSA-N 0 3 353.445 3.019 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc3cc(OC)ccc3c2)CC1 ZINC000171680271 495986654 /nfs/dbraw/zinc/98/66/54/495986654.db2.gz YUXLYNRUTXEOLP-UHFFFAOYSA-N 0 3 353.466 3.298 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCCN(c3cnn(C)c3)C2)ccc1OC ZINC000174519388 495992933 /nfs/dbraw/zinc/99/29/33/495992933.db2.gz VXQNGVVAPYEPNY-GOSISDBHSA-N 0 3 370.497 3.142 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C3CC3)nc3onc(CCC)c32)CC1 ZINC000171718526 496004424 /nfs/dbraw/zinc/00/44/24/496004424.db2.gz POZZALPOJGTVFV-UHFFFAOYSA-N 0 3 368.481 3.433 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000171728350 496009676 /nfs/dbraw/zinc/00/96/76/496009676.db2.gz FCSLUPSQCLIXGE-UHFFFAOYSA-N 0 3 364.540 3.194 20 30 FGEDHN CCOc1c(OC)cc(CNCc2ccc(OCC#N)cc2)cc1OC ZINC000171769139 496029247 /nfs/dbraw/zinc/02/92/47/496029247.db2.gz KQYSQIKEUMMAGQ-UHFFFAOYSA-N 0 3 356.422 3.295 20 30 FGEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180559334 496043816 /nfs/dbraw/zinc/04/38/16/496043816.db2.gz IQKQIWLCZWFMQS-INIZCTEOSA-N 0 3 369.440 3.415 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000174666608 496053026 /nfs/dbraw/zinc/05/30/26/496053026.db2.gz VHGCRHRTIUBCEB-UHFFFAOYSA-N 0 3 374.872 3.089 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000183676861 496074089 /nfs/dbraw/zinc/07/40/89/496074089.db2.gz OXDUUVJGEURULE-UHFFFAOYSA-N 0 3 363.433 3.469 20 30 FGEDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000180628145 496076291 /nfs/dbraw/zinc/07/62/91/496076291.db2.gz LBRMSZKQIDMYDX-KDOFPFPSSA-N 0 3 365.433 3.397 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000183680822 496076338 /nfs/dbraw/zinc/07/63/38/496076338.db2.gz XKWGHBFNDFQYQH-PBHICJAKSA-N 0 3 363.527 3.406 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N(CCC#N)CC(C)(C)C)cc2)CC1 ZINC000155918325 496106164 /nfs/dbraw/zinc/10/61/64/496106164.db2.gz QJTCZVGDRNGORB-UHFFFAOYSA-N 0 3 356.514 3.230 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc(-c2cnccn2)n1)C(C)C ZINC000171980521 496116074 /nfs/dbraw/zinc/11/60/74/496116074.db2.gz XYAAUVWXDONLLF-KRWDZBQOSA-N 0 3 371.510 3.029 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000177591794 496124316 /nfs/dbraw/zinc/12/43/16/496124316.db2.gz GGOGELUXABNYLW-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2cc(C#N)ccc2F)CN1Cc1ccccc1 ZINC000152373806 496131316 /nfs/dbraw/zinc/13/13/16/496131316.db2.gz WETLCHBLDFXTMX-DNVCBOLYSA-N 0 3 366.440 3.160 20 30 FGEDHN CCOc1ccc(OC[C@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000577948375 505826083 /nfs/dbraw/zinc/82/60/83/505826083.db2.gz ZHBHITFPIZRNQC-GCJKJVERSA-N 0 3 366.461 3.364 20 30 FGEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000180830848 496162224 /nfs/dbraw/zinc/16/22/24/496162224.db2.gz ONHOYLCOTZKOGG-KRWDZBQOSA-N 0 3 365.481 3.208 20 30 FGEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000152539905 496181639 /nfs/dbraw/zinc/18/16/39/496181639.db2.gz BRGBWVVUPZQJFN-YJBOKZPZSA-N 0 3 371.506 3.326 20 30 FGEDHN N#Cc1c[nH]c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000177833285 496215468 /nfs/dbraw/zinc/21/54/68/496215468.db2.gz GCKKILBGRIOMSP-UHFFFAOYSA-N 0 3 356.857 3.278 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186939659 496220964 /nfs/dbraw/zinc/22/09/64/496220964.db2.gz JUJLTPULQPNSPX-UHFFFAOYSA-N 0 3 354.425 3.146 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186970304 496234195 /nfs/dbraw/zinc/23/41/95/496234195.db2.gz SNZDLPBEKVCMAR-MRXNPFEDSA-N 0 3 374.554 3.435 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186994901 496244039 /nfs/dbraw/zinc/24/40/39/496244039.db2.gz KNBFUSTZYCHMGM-INIZCTEOSA-N 0 3 374.554 3.293 20 30 FGEDHN C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000577988482 505835275 /nfs/dbraw/zinc/83/52/75/505835275.db2.gz SIYUVJPXMGLBDO-LJQANCHMSA-N 0 3 363.465 3.435 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000156658491 496304752 /nfs/dbraw/zinc/30/47/52/496304752.db2.gz ZIYDOFMMPQFFMR-NRFANRHFSA-N 0 3 358.482 3.377 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181215835 496315209 /nfs/dbraw/zinc/31/52/09/496315209.db2.gz ZMNRRLFYCRQCOV-RHSMWYFYSA-N 0 3 355.463 3.316 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1 ZINC000175277919 496319704 /nfs/dbraw/zinc/31/97/04/496319704.db2.gz GJYHKXFXEGEOPI-QFIPXVFZSA-N 0 3 361.489 3.471 20 30 FGEDHN C=CCNc1ncc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)s1 ZINC000184508673 496416932 /nfs/dbraw/zinc/41/69/32/496416932.db2.gz DJDUKMWUIDYNDN-UHFFFAOYSA-N 0 3 371.510 3.135 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181616121 496471173 /nfs/dbraw/zinc/47/11/73/496471173.db2.gz QBFNCHGROAPNFO-SFHVURJKSA-N 0 3 369.421 3.117 20 30 FGEDHN C[C@@H](NCc1ccccc1OCCN(C)C)c1ccc(OCC#N)cc1 ZINC000181626979 496476554 /nfs/dbraw/zinc/47/65/54/496476554.db2.gz DYFFUKFFBMHSRC-QGZVFWFLSA-N 0 3 353.466 3.380 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc([S@@](C)=O)cc1)C(C)C ZINC000175749524 496527905 /nfs/dbraw/zinc/52/79/05/496527905.db2.gz ABAAHQJKYVVJHC-IQGLISFBSA-N 0 3 363.527 3.244 20 30 FGEDHN CC[C@H](NCc1ccc(C#N)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153651106 496532189 /nfs/dbraw/zinc/53/21/89/496532189.db2.gz QVBPVCNBEMQAFO-PMACEKPBSA-N 0 3 355.507 3.389 20 30 FGEDHN C[C@@]1(CNC(=O)NCc2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000153776955 496576199 /nfs/dbraw/zinc/57/61/99/496576199.db2.gz QJYLAVYQSCVKQW-QFIPXVFZSA-N 0 3 362.477 3.412 20 30 FGEDHN C=CC[C@H](C)NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000175906648 496596884 /nfs/dbraw/zinc/59/68/84/496596884.db2.gz IHRHGDYXIMVADE-SFHVURJKSA-N 0 3 359.514 3.322 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000181920792 496600242 /nfs/dbraw/zinc/60/02/42/496600242.db2.gz BQHFQEYEHMUGED-UHFFFAOYSA-N 0 3 350.422 3.221 20 30 FGEDHN N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1CN1CCCCC1 ZINC000173301422 496632826 /nfs/dbraw/zinc/63/28/26/496632826.db2.gz UHKMUIAYKHPQLB-KRWDZBQOSA-N 0 3 372.538 3.191 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182212429 496708826 /nfs/dbraw/zinc/70/88/26/496708826.db2.gz GCCJMZDTAJWURF-GOSISDBHSA-N 0 3 369.421 3.118 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C#N)cc1F ZINC000179273636 496724418 /nfs/dbraw/zinc/72/44/18/496724418.db2.gz CIDNTVVYWPBJAN-UHFFFAOYSA-N 0 3 368.456 3.407 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C#N)cc1 ZINC000194880413 496745556 /nfs/dbraw/zinc/74/55/56/496745556.db2.gz LVBSPQDBYHZYEG-UHFFFAOYSA-N 0 3 355.869 3.345 20 30 FGEDHN Cc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(O)c1C ZINC000277382337 496754886 /nfs/dbraw/zinc/75/48/86/496754886.db2.gz XTJBVGGEJWXVSF-UZLBHIALSA-N 0 3 363.461 3.332 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000194956417 496773772 /nfs/dbraw/zinc/77/37/72/496773772.db2.gz JVYARFCISFFBAO-UHFFFAOYSA-N 0 3 373.472 3.080 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCc1ccccc1OCCN(C)C ZINC000194961290 496774772 /nfs/dbraw/zinc/77/47/72/496774772.db2.gz AUTQFOALKFHKQU-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN CN1CCC(Nc2ccccc2NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000264060962 496802389 /nfs/dbraw/zinc/80/23/89/496802389.db2.gz GTIRLYFUTYYUNN-UHFFFAOYSA-N 0 3 364.449 3.082 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCSCc1ccccc1C#N ZINC000273490758 496822143 /nfs/dbraw/zinc/82/21/43/496822143.db2.gz SLUHJJROAKRXBB-MRXNPFEDSA-N 0 3 374.554 3.163 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191695303 496857405 /nfs/dbraw/zinc/85/74/05/496857405.db2.gz QBNLYJXJELWCFF-ZDUSSCGKSA-N 0 3 371.403 3.418 20 30 FGEDHN N#Cc1ccc(Cc2cnc(NC(=O)C3CCN(C4CC4)CC3)s2)cc1 ZINC000195326226 496889198 /nfs/dbraw/zinc/88/91/98/496889198.db2.gz BIJFSOCOMLCRGP-UHFFFAOYSA-N 0 3 366.490 3.418 20 30 FGEDHN COCCO[C@H]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000188814244 496916955 /nfs/dbraw/zinc/91/69/55/496916955.db2.gz KCNQBEQWHFIEBN-QFIPXVFZSA-N 0 3 366.461 3.375 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188860860 496929333 /nfs/dbraw/zinc/92/93/33/496929333.db2.gz UDMPTZPUBIESDO-KRWDZBQOSA-N 0 3 374.488 3.327 20 30 FGEDHN N#CCOc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000264584261 496935536 /nfs/dbraw/zinc/93/55/36/496935536.db2.gz DKMFDCGSLAEMIP-FQEVSTJZSA-N 0 3 352.434 3.476 20 30 FGEDHN N#CCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000264584261 496935539 /nfs/dbraw/zinc/93/55/39/496935539.db2.gz DKMFDCGSLAEMIP-FQEVSTJZSA-N 0 3 352.434 3.476 20 30 FGEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000248109247 496955359 /nfs/dbraw/zinc/95/53/59/496955359.db2.gz BRGBWVVUPZQJFN-QAPCUYQASA-N 0 3 371.506 3.326 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1OC ZINC000248138209 496961942 /nfs/dbraw/zinc/96/19/42/496961942.db2.gz XZJNEMYZJLVMNV-WIYYLYMNSA-N 0 3 366.461 3.435 20 30 FGEDHN Cc1ccc(C[C@H](CO)NCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000188974582 496965290 /nfs/dbraw/zinc/96/52/90/496965290.db2.gz FYKRPHZHXCLYKY-JOCHJYFZSA-N 0 3 374.488 3.465 20 30 FGEDHN C[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C#N)c(F)c1 ZINC000274030821 496997356 /nfs/dbraw/zinc/99/73/56/496997356.db2.gz HAJJCWUQSICJAB-AWEZNQCLSA-N 0 3 373.453 3.088 20 30 FGEDHN CC1CCN(C(=O)C2CCN(Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000264969322 497021404 /nfs/dbraw/zinc/02/14/04/497021404.db2.gz HVBWTWAKXPBXPQ-UHFFFAOYSA-N 0 3 355.482 3.059 20 30 FGEDHN CC[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(C#N)cc1 ZINC000278196750 497034020 /nfs/dbraw/zinc/03/40/20/497034020.db2.gz FYIPNZLGXLRDBQ-UZLBHIALSA-N 0 3 350.466 3.419 20 30 FGEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3cccc(Cl)c3)C2)nc1 ZINC000580988561 505883905 /nfs/dbraw/zinc/88/39/05/505883905.db2.gz OKEUIPGWGHHRSO-QGZVFWFLSA-N 0 3 370.840 3.089 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248725649 497089147 /nfs/dbraw/zinc/08/91/47/497089147.db2.gz CUCBFLOCLQWUTE-LZLYRXPVSA-N 0 3 363.527 3.450 20 30 FGEDHN COc1ccc(CNCC[S@](=O)C(C)(C)C)cc1OCCCC#N ZINC000265294003 497091634 /nfs/dbraw/zinc/09/16/34/497091634.db2.gz KWNAMAVWXFPZOJ-DEOSSOPVSA-N 0 3 352.500 3.015 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000248746096 497096403 /nfs/dbraw/zinc/09/64/03/497096403.db2.gz FMEGTMPJVMWTGE-KEYYUXOJSA-N 0 3 363.408 3.455 20 30 FGEDHN N#C[C@@]1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCc2ccccc2C1 ZINC000274435257 497096785 /nfs/dbraw/zinc/09/67/85/497096785.db2.gz CJLRBZNKAIQTHU-XMMPIXPASA-N 0 3 373.500 3.466 20 30 FGEDHN CC1(C)COc2c1cccc2C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000580989731 505884696 /nfs/dbraw/zinc/88/46/96/505884696.db2.gz XUDXJUQIYYAFTP-CQSZACIVSA-N 0 3 350.422 3.165 20 30 FGEDHN C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCC[C@@H](C)C1 ZINC000248806944 497107438 /nfs/dbraw/zinc/10/74/38/497107438.db2.gz GZMWECVOBMLFAQ-HZPDHXFCSA-N 0 3 359.474 3.006 20 30 FGEDHN COc1ccc(CN2CCCN(c3c(C#N)nnc4ccccc43)CC2)cc1 ZINC000265744717 497173522 /nfs/dbraw/zinc/17/35/22/497173522.db2.gz AFTGBEXZAOUBFD-UHFFFAOYSA-N 0 3 373.460 3.222 20 30 FGEDHN N#Cc1cccc(-c2csc(NC(=O)C3CCN(C4CC4)CC3)n2)c1 ZINC000192773207 497210167 /nfs/dbraw/zinc/21/01/67/497210167.db2.gz VFRKTIMBDCUZKC-UHFFFAOYSA-N 0 3 352.463 3.495 20 30 FGEDHN C=CCc1cc(CNC(=O)C[C@@H](N)c2ccccc2)cc(OC)c1OC ZINC000237342090 497223327 /nfs/dbraw/zinc/22/33/27/497223327.db2.gz AUWBCYLJBQHUHN-GOSISDBHSA-N 0 3 354.450 3.139 20 30 FGEDHN CC(C)(C)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1O ZINC000278833657 497237086 /nfs/dbraw/zinc/23/70/86/497237086.db2.gz ACSXWRVNYVBDOS-RTBURBONSA-N 0 3 367.497 3.088 20 30 FGEDHN COc1cc(O)c(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1OC ZINC000271121102 497268582 /nfs/dbraw/zinc/26/85/82/497268582.db2.gz YEMCPCKSOGVVHF-UHFFFAOYSA-N 0 3 368.433 3.324 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000569301867 505900999 /nfs/dbraw/zinc/90/09/99/505900999.db2.gz MRDMAOGHDMZKDG-PWRODBHTSA-N 0 3 366.509 3.485 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)C(C)C ZINC000252664102 497316552 /nfs/dbraw/zinc/31/65/52/497316552.db2.gz UVHYVERUBIYFMU-VAMGGRTRSA-N 0 3 373.545 3.174 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCN1C ZINC000266384112 497322432 /nfs/dbraw/zinc/32/24/32/497322432.db2.gz DIZZCNAKJKYROH-LAUBAEHRSA-N 0 3 362.477 3.428 20 30 FGEDHN COc1ccc([C@@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000193348337 497357034 /nfs/dbraw/zinc/35/70/34/497357034.db2.gz AXNFBWGHSARUJN-BEFAXECRSA-N 0 3 355.482 3.467 20 30 FGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1COc2ccccc21 ZINC000245533214 497442958 /nfs/dbraw/zinc/44/29/58/497442958.db2.gz VDFXQHXJTFDWTR-YSSFQJQWSA-N 0 3 361.445 3.208 20 30 FGEDHN CC(C)N1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000266909047 497444178 /nfs/dbraw/zinc/44/41/78/497444178.db2.gz KTSYRUQMGVXJQX-UHFFFAOYSA-N 0 3 352.482 3.154 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000279539538 497467180 /nfs/dbraw/zinc/46/71/80/497467180.db2.gz NGLWKIAZCZORLN-NRFANRHFSA-N 0 3 364.493 3.429 20 30 FGEDHN C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271902043 497483755 /nfs/dbraw/zinc/48/37/55/497483755.db2.gz AWXICFAIOOLLQY-KSSFIOAISA-N 0 3 359.470 3.483 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([C@H]2CCCO2)CC1)C(C)C ZINC000190535424 497520148 /nfs/dbraw/zinc/52/01/48/497520148.db2.gz LYDQYCUKMWHBRA-VQTJNVASSA-N 0 3 363.546 3.286 20 30 FGEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000190620148 497548324 /nfs/dbraw/zinc/54/83/24/497548324.db2.gz IIJZGZYRUXNZHO-HRAATJIYSA-N 0 3 362.477 3.076 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NC3CC(c4cccc(F)c4)C3)C2=O)cc1 ZINC000276826858 497664712 /nfs/dbraw/zinc/66/47/12/497664712.db2.gz BCFZMBITEKJRTB-MNLRITNHSA-N 0 3 363.436 3.334 20 30 FGEDHN CN1CCN(CCCNCc2cc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000246302815 497690007 /nfs/dbraw/zinc/69/00/07/497690007.db2.gz YSBCSQCDVCZLKE-HXUWFJFHSA-N 0 3 354.523 3.088 20 30 FGEDHN C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N1[C@H](C)CC[C@H]1C ZINC000246306802 497690609 /nfs/dbraw/zinc/69/06/09/497690609.db2.gz ZCMNCCDIQLKHFF-RBSFLKMASA-N 0 3 352.400 3.434 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000578368853 505924752 /nfs/dbraw/zinc/92/47/52/505924752.db2.gz IIRRPWHGEQZNCO-HUUCEWRRSA-N 0 3 374.554 3.242 20 30 FGEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCCC2 ZINC000280605713 497823097 /nfs/dbraw/zinc/82/30/97/497823097.db2.gz XKEPRQOLWMLPIE-GUDVDZBRSA-N 0 3 351.450 3.095 20 30 FGEDHN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000329541638 497823485 /nfs/dbraw/zinc/82/34/85/497823485.db2.gz XHYLQUILXQODFW-HUUCEWRRSA-N 0 3 352.862 3.273 20 30 FGEDHN CN(c1snc(Cl)c1C#N)C1CCN(CCc2ccncc2)CC1 ZINC000364289283 497882664 /nfs/dbraw/zinc/88/26/64/497882664.db2.gz IWVJTHHNECQBLB-UHFFFAOYSA-N 0 3 361.902 3.206 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329745213 497887023 /nfs/dbraw/zinc/88/70/23/497887023.db2.gz RBSJQJAEBOESRK-SOAMZJECSA-N 0 3 359.514 3.216 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000329751681 497889676 /nfs/dbraw/zinc/88/96/76/497889676.db2.gz JBFIJNARXOUHIS-CJXUKZFBSA-N 0 3 371.525 3.358 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000575208281 505942555 /nfs/dbraw/zinc/94/25/55/505942555.db2.gz CPQKENQEIORVIZ-UTKZUKDTSA-N 0 3 362.477 3.363 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000329790809 497902565 /nfs/dbraw/zinc/90/25/65/497902565.db2.gz DBBFMLWZTCGYAS-OWYHZJEWSA-N 0 3 372.513 3.495 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000329795676 497904197 /nfs/dbraw/zinc/90/41/97/497904197.db2.gz WNSWFOYDXVHXMH-YJLNNSPDSA-N 0 3 355.486 3.048 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CCN1C ZINC000329799870 497905178 /nfs/dbraw/zinc/90/51/78/497905178.db2.gz HXPHAJDFXGLKPO-NVXWUHKLSA-N 0 3 373.497 3.213 20 30 FGEDHN C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000329811492 497910251 /nfs/dbraw/zinc/91/02/51/497910251.db2.gz RJCWJLIIHXSMAY-GRDNDAEWSA-N 0 3 361.515 3.129 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000284841701 497919221 /nfs/dbraw/zinc/91/92/21/497919221.db2.gz LBIOGFKHOJMSRV-LJQANCHMSA-N 0 3 368.437 3.022 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccncc3)c2C(F)F)CN1C1CC1 ZINC000329891865 497941144 /nfs/dbraw/zinc/94/11/44/497941144.db2.gz IMCXVTKZZVRYEP-NEPJUHHUSA-N 0 3 361.396 3.135 20 30 FGEDHN Cc1nnc(Nc2ccc(CCN3CCSCC3)cc2)c(C#N)c1C ZINC000301084850 497945312 /nfs/dbraw/zinc/94/53/12/497945312.db2.gz GLALAUDLLRARHT-UHFFFAOYSA-N 0 3 353.495 3.300 20 30 FGEDHN N#CCC[C@H](C#N)CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000578499583 505955340 /nfs/dbraw/zinc/95/53/40/505955340.db2.gz RQTMCZKBYCDOKG-WBVHZDCISA-N 0 3 350.388 3.313 20 30 FGEDHN CCN(C(=O)N[C@@H]1CCCc2c[nH]nc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000330026876 497995223 /nfs/dbraw/zinc/99/52/23/497995223.db2.gz MDTUVIHABAWSTN-RBUKOAKNSA-N 0 3 367.497 3.298 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000581339245 505964445 /nfs/dbraw/zinc/96/44/45/505964445.db2.gz OLUSWIRHISGUCY-LRQRDZAKSA-N 0 3 369.509 3.113 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000330174333 498049184 /nfs/dbraw/zinc/04/91/84/498049184.db2.gz IBAASBAQEDFAIV-QAPCUYQASA-N 0 3 370.497 3.177 20 30 FGEDHN COCCSCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285362730 498063694 /nfs/dbraw/zinc/06/36/94/498063694.db2.gz BNXXXUBTQRTWGQ-UHFFFAOYSA-N 0 3 352.475 3.310 20 30 FGEDHN Cc1cc([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)cnc1N1CCCC[C@H]1C ZINC000330226448 498068812 /nfs/dbraw/zinc/06/88/12/498068812.db2.gz BMQQYURQSFGBRD-HZPDHXFCSA-N 0 3 368.485 3.306 20 30 FGEDHN CN(C)CCNC(=O)c1cccc(CNc2c(C#N)cnc3ccccc32)c1 ZINC000301406999 498097346 /nfs/dbraw/zinc/09/73/46/498097346.db2.gz MJWXUAQBOMQEDS-UHFFFAOYSA-N 0 3 373.460 3.010 20 30 FGEDHN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000330335221 498109539 /nfs/dbraw/zinc/10/95/39/498109539.db2.gz RJIBZVJIBKSLBX-ZYSHUDEJSA-N 0 3 360.502 3.344 20 30 FGEDHN C#CCNC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)nc1 ZINC000301440149 498110544 /nfs/dbraw/zinc/11/05/44/498110544.db2.gz TZZRWYGXEPSZTP-KXBFYZLASA-N 0 3 368.506 3.001 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000296606249 498118244 /nfs/dbraw/zinc/11/82/44/498118244.db2.gz DVVXHXNRYCCUCR-HOTGVXAUSA-N 0 3 356.470 3.316 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000281492408 498169611 /nfs/dbraw/zinc/16/96/11/498169611.db2.gz HTEYVNNXNZCPCX-CTNGQTDRSA-N 0 3 358.445 3.344 20 30 FGEDHN C[C@@H](CN(C)C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330671280 498169987 /nfs/dbraw/zinc/16/99/87/498169987.db2.gz FBDAKBOEHZUFQS-ZNMIVQPWSA-N 0 3 362.474 3.332 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(n1)CCC2 ZINC000296752803 498181658 /nfs/dbraw/zinc/18/16/58/498181658.db2.gz CYMFEGJFFYGEAK-UHFFFAOYSA-N 0 3 363.465 3.038 20 30 FGEDHN O[C@@H](CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(F)F ZINC000572538407 505993439 /nfs/dbraw/zinc/99/34/39/505993439.db2.gz IABQIQPYBXOIDL-GXSJLCMTSA-N 0 3 367.236 3.274 20 30 FGEDHN CC(=O)SCCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281545162 498188808 /nfs/dbraw/zinc/18/88/08/498188808.db2.gz JUTFYTGJFNKPGL-SFHVURJKSA-N 0 3 357.479 3.197 20 30 FGEDHN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c(Cl)c1 ZINC000330799105 498195473 /nfs/dbraw/zinc/19/54/73/498195473.db2.gz YKVHWMURBGJWEY-NSHDSACASA-N 0 3 350.850 3.275 20 30 FGEDHN Cc1nc(C(C)(C)C)sc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000330812934 498198560 /nfs/dbraw/zinc/19/85/60/498198560.db2.gz NSBNKLOQQUDJLE-AWEZNQCLSA-N 0 3 353.532 3.146 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000281605530 498210003 /nfs/dbraw/zinc/21/00/03/498210003.db2.gz ARTIUCCDYJJIIV-UHFFFAOYSA-N 0 3 358.486 3.215 20 30 FGEDHN CN1CCC[C@@]2(CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C2)C1 ZINC000296830982 498214281 /nfs/dbraw/zinc/21/42/81/498214281.db2.gz YANDHUDDQSDHPL-HSZRJFAPSA-N 0 3 374.488 3.431 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000289608503 498215423 /nfs/dbraw/zinc/21/54/23/498215423.db2.gz LCXPKOBIQPBUHH-KRWDZBQOSA-N 0 3 355.404 3.316 20 30 FGEDHN COc1cc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1C#N ZINC000281838183 498287892 /nfs/dbraw/zinc/28/78/92/498287892.db2.gz YEVLSSRXUQQOTH-AWEZNQCLSA-N 0 3 351.406 3.374 20 30 FGEDHN COCc1cc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1F ZINC000331333072 498303179 /nfs/dbraw/zinc/30/31/79/498303179.db2.gz SQCXVRVZAJAMII-KRWDZBQOSA-N 0 3 351.466 3.096 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC000293215553 498308984 /nfs/dbraw/zinc/30/89/84/498308984.db2.gz XEPMRWHMCJYDKJ-UHFFFAOYSA-N 0 3 374.500 3.322 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC#Cc1cccc(F)c1 ZINC000572620833 506013682 /nfs/dbraw/zinc/01/36/82/506013682.db2.gz ZKCVCUSPBITWNZ-UHFFFAOYSA-N 0 3 371.431 3.090 20 30 FGEDHN C=CCC(F)(F)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000293352455 498356290 /nfs/dbraw/zinc/35/62/90/498356290.db2.gz DRLLFCAPZZOWPJ-HNNXBMFYSA-N 0 3 350.409 3.302 20 30 FGEDHN Cn1cc(CN2CC[C@]3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000365234606 498364705 /nfs/dbraw/zinc/36/47/05/498364705.db2.gz OPWXPEQSJSPXGA-FXAWDEMLSA-N 0 3 358.486 3.166 20 30 FGEDHN N#Cc1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)cc1F ZINC000290173869 498452864 /nfs/dbraw/zinc/45/28/64/498452864.db2.gz MYFQRQSGJSBAJM-UHFFFAOYSA-N 0 3 353.401 3.130 20 30 FGEDHN N#Cc1c(F)ccc(CNC[C@@H]2CCCN(c3ncccn3)C2)c1Cl ZINC000365430605 498463284 /nfs/dbraw/zinc/46/32/84/498463284.db2.gz XACDKGPQZWLCHN-ZDUSSCGKSA-N 0 3 359.836 3.147 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290225580 498472826 /nfs/dbraw/zinc/47/28/26/498472826.db2.gz XCXKNDVLXZELTJ-GOSISDBHSA-N 0 3 367.474 3.242 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(NC(=O)c3ccoc3)CC2)c1 ZINC000362387089 498508086 /nfs/dbraw/zinc/50/80/86/498508086.db2.gz ZPTIAORNKCWTIV-UHFFFAOYSA-N 0 3 367.449 3.357 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(NC(=O)c3ccc[nH]3)CC2)c1 ZINC000362389398 498508784 /nfs/dbraw/zinc/50/87/84/498508784.db2.gz OAHSEXDYNVHZLY-UHFFFAOYSA-N 0 3 366.465 3.092 20 30 FGEDHN Cc1ccc([C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)c(C)c1 ZINC000365545701 498525221 /nfs/dbraw/zinc/52/52/21/498525221.db2.gz JPYXQGNJKVVTDP-IRLDBZIGSA-N 0 3 373.456 3.458 20 30 FGEDHN CO[C@@]1(C)CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000331994815 498525725 /nfs/dbraw/zinc/52/57/25/498525725.db2.gz VKWCIGNLXWWOKO-IBGZPJMESA-N 0 3 361.511 3.328 20 30 FGEDHN C/C=C/c1ccc(OC[C@@H](O)CNCc2cccc(C#N)c2)c(OC)c1 ZINC000575981236 506048365 /nfs/dbraw/zinc/04/83/65/506048365.db2.gz CKUZTWJLGWOICT-JUGMSXHOSA-N 0 3 352.434 3.129 20 30 FGEDHN COc1cccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N2CCCC2)c1 ZINC000297757326 498559537 /nfs/dbraw/zinc/55/95/37/498559537.db2.gz KOBVTVSBBGURGK-XKGZKEIXSA-N 0 3 370.497 3.214 20 30 FGEDHN N#Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302778275 498569230 /nfs/dbraw/zinc/56/92/30/498569230.db2.gz GWADVQTVYCOTPC-IBGZPJMESA-N 0 3 366.421 3.169 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1cnc(OC)c(Cl)c1 ZINC000569962183 506056890 /nfs/dbraw/zinc/05/68/90/506056890.db2.gz QUIXQDJXDNFDRE-INIZCTEOSA-N 0 3 362.857 3.002 20 30 FGEDHN N#Cc1nc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1Cl ZINC000302803951 498581228 /nfs/dbraw/zinc/58/12/28/498581228.db2.gz VPPGASOKUFJHTE-INIZCTEOSA-N 0 3 356.857 3.310 20 30 FGEDHN C=CCn1c(C)cc(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c1C ZINC000581775386 506065690 /nfs/dbraw/zinc/06/56/90/506065690.db2.gz LUHSRLDFDDOQHA-YOFSQIOKSA-N 0 3 373.541 3.047 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCCC(C)(C)C2)cc1 ZINC000332348252 498658178 /nfs/dbraw/zinc/65/81/78/498658178.db2.gz UXEIJILWESSULU-AWEZNQCLSA-N 0 3 363.483 3.416 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H](c3ccccc3)C2)nc1 ZINC000578996219 506070346 /nfs/dbraw/zinc/07/03/46/506070346.db2.gz IMNXWGQXTZHRRC-RTBURBONSA-N 0 3 369.490 3.043 20 30 FGEDHN N#CCCOCCN1CCC(Oc2cccc(Br)c2)CC1 ZINC000294551345 498727510 /nfs/dbraw/zinc/72/75/10/498727510.db2.gz KWALECJPHHYYRO-UHFFFAOYSA-N 0 3 353.260 3.223 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C3CC3)CCC2)cc1 ZINC000287430450 498752955 /nfs/dbraw/zinc/75/29/55/498752955.db2.gz VOPMKDMMUOAKHV-ZDUSSCGKSA-N 0 3 361.467 3.074 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294680464 498771185 /nfs/dbraw/zinc/77/11/85/498771185.db2.gz RTBLUCSBAGTGEH-UHFFFAOYSA-N 0 3 371.359 3.384 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)[C@@H]2C1 ZINC000332839609 498810213 /nfs/dbraw/zinc/81/02/13/498810213.db2.gz LRNNQGNKMFSIMA-SIKLNZKXSA-N 0 3 374.488 3.461 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCC3(CC3)CC2)cc1 ZINC000287609206 498811796 /nfs/dbraw/zinc/81/17/96/498811796.db2.gz MXGDLDWTLJWFDD-CYBMUJFWSA-N 0 3 361.467 3.217 20 30 FGEDHN CN1CCC(N(Cc2ccccc2F)C(=O)c2cccc(C#N)c2)CC1 ZINC000363483339 498843770 /nfs/dbraw/zinc/84/37/70/498843770.db2.gz WSQCLJZPKNUJCL-UHFFFAOYSA-N 0 3 351.425 3.434 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000327333461 498855486 /nfs/dbraw/zinc/85/54/86/498855486.db2.gz CAKBZBIDISUECJ-INIZCTEOSA-N 0 3 350.340 3.107 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccc(C(F)(F)F)cc1 ZINC000327348880 498856003 /nfs/dbraw/zinc/85/60/03/498856003.db2.gz GSLHNBOVSXUPMP-MRXNPFEDSA-N 0 3 350.340 3.107 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000366343025 498882832 /nfs/dbraw/zinc/88/28/32/498882832.db2.gz YROCPRVUMPHRED-QFBILLFUSA-N 0 3 369.428 3.304 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C#N)CC2)N(C)C)cc1 ZINC000287888597 498893769 /nfs/dbraw/zinc/89/37/69/498893769.db2.gz GCGUFKUDAQPTRY-IBGZPJMESA-N 0 3 358.486 3.022 20 30 FGEDHN CN(C)C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(Cl)cc1 ZINC000328721189 498914393 /nfs/dbraw/zinc/91/43/93/498914393.db2.gz WRVGJYPGAUKSQA-IXDOHACOSA-N 0 3 351.878 3.014 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C12CCCC2 ZINC000333195689 498932897 /nfs/dbraw/zinc/93/28/97/498932897.db2.gz XCNXPEGCLJWULT-HRCADAONSA-N 0 3 359.495 3.052 20 30 FGEDHN CN1CC[C@H](NCC(=O)NC(=O)NC2CCCCC2)[C@@H]1c1ccccc1 ZINC000328842244 498957563 /nfs/dbraw/zinc/95/75/63/498957563.db2.gz HZRGLFBPXLQOLR-HKUYNNGSSA-N 0 3 358.486 3.225 20 30 FGEDHN CN1C(=O)c2ccc(NC(=O)CN3CC(C)(C)[C@H]4CCC[C@@H]43)cc2C1=O ZINC000328876293 498970408 /nfs/dbraw/zinc/97/04/08/498970408.db2.gz SKJANPZCFNNEJG-HOTGVXAUSA-N 0 3 355.438 3.011 20 30 FGEDHN C=CCN(C(=O)N[C@@H]1CCO[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363808374 499004419 /nfs/dbraw/zinc/00/44/19/499004419.db2.gz AMTWXOYEAFNXHO-RLLQIKCJSA-N 0 3 357.498 3.026 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)[N-]C2(C)CC2)c1 ZINC000283908970 499010959 /nfs/dbraw/zinc/01/09/59/499010959.db2.gz DOIFYFLWWOJKCO-UHFFFAOYSA-O 0 3 369.466 3.092 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)C[C@@H](C)O1 ZINC000333522427 499023412 /nfs/dbraw/zinc/02/34/12/499023412.db2.gz HGJVZZMQOVBKGF-HMFYCAOWSA-N 0 3 373.541 3.198 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000295595145 499058777 /nfs/dbraw/zinc/05/87/77/499058777.db2.gz RTBFZNKHZHNDEI-SZMVWBNQSA-N 0 3 361.436 3.342 20 30 FGEDHN C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C1=CCN(C)CC1 ZINC000329312484 499096805 /nfs/dbraw/zinc/09/68/05/499096805.db2.gz GNIOMBMCQCNCRT-KBXCAEBGSA-N 0 3 357.454 3.409 20 30 FGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000284408118 499102624 /nfs/dbraw/zinc/10/26/24/499102624.db2.gz NJHHAVFDALOZBA-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)[C@@H]2C1 ZINC000329408532 499116643 /nfs/dbraw/zinc/11/66/43/499116643.db2.gz CNWIFXPCSBFHRR-GOEBONIOSA-N 0 3 369.494 3.199 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000329457197 499124437 /nfs/dbraw/zinc/12/44/37/499124437.db2.gz QNZAERBZKXROQQ-NVXWUHKLSA-N 0 3 374.533 3.101 20 30 FGEDHN C=CCC[C@H](C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000372503635 499135389 /nfs/dbraw/zinc/13/53/89/499135389.db2.gz NYYBOOWPMBCPHS-HJNYFJLDSA-N 0 3 369.553 3.221 20 30 FGEDHN CCc1nccc([C@@H]2CCCN(CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000372578489 499148160 /nfs/dbraw/zinc/14/81/60/499148160.db2.gz NIRAUESYUVWEOS-QGZVFWFLSA-N 0 3 363.465 3.119 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000370207874 499197448 /nfs/dbraw/zinc/19/74/48/499197448.db2.gz NMIMIPYRCWXUJV-FQEVSTJZSA-N 0 3 373.460 3.315 20 30 FGEDHN N#Cc1ccc2ncc(CN3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)n2c1 ZINC000367675731 499223788 /nfs/dbraw/zinc/22/37/88/499223788.db2.gz ZSQJIYXMVRZQAD-NJDAHSKKSA-N 0 3 358.445 3.210 20 30 FGEDHN Cc1cc(N2CCC(N(C)Cc3ccc(C#N)c(F)c3)CC2)nc(C)n1 ZINC000370653482 499240163 /nfs/dbraw/zinc/24/01/63/499240163.db2.gz YETJBCAPDBSAKE-UHFFFAOYSA-N 0 3 353.445 3.205 20 30 FGEDHN CCc1nccc([C@H]2CCCN(CCC(=O)Nc3sccc3C#N)C2)n1 ZINC000370743998 499250537 /nfs/dbraw/zinc/25/05/37/499250537.db2.gz ZSPFKPBEZGJFEY-HNNXBMFYSA-N 0 3 369.494 3.180 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(C#N)c1C ZINC000368591300 499311038 /nfs/dbraw/zinc/31/10/38/499311038.db2.gz GSLFVJPJDAVUNS-ZOCIIQOWSA-N 0 3 366.465 3.130 20 30 FGEDHN Cc1noc(C)c1CO[C@H]1CCN(CCCOc2ccc(C#N)cc2)C1 ZINC000368857211 499340232 /nfs/dbraw/zinc/34/02/32/499340232.db2.gz ZJKPIUKNYVSCIW-IBGZPJMESA-N 0 3 355.438 3.223 20 30 FGEDHN N#Cc1ccc(SCC(=O)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000368961377 499351032 /nfs/dbraw/zinc/35/10/32/499351032.db2.gz HLZLYAZHCSFQTH-UHFFFAOYSA-N 0 3 371.531 3.493 20 30 FGEDHN CN(c1ccccc1)C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000368997758 499354942 /nfs/dbraw/zinc/35/49/42/499354942.db2.gz BDQFPQWDWWKAMA-UHFFFAOYSA-N 0 3 362.477 3.488 20 30 FGEDHN CCO[C@H](C)c1noc(CN2CCCN(CCCC(C)(C)C#N)CC2)n1 ZINC000371844152 499370996 /nfs/dbraw/zinc/37/09/96/499370996.db2.gz JRXAGFNKZDKUDT-MRXNPFEDSA-N 0 3 363.506 3.005 20 30 FGEDHN CN1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000369572764 499420663 /nfs/dbraw/zinc/42/06/63/499420663.db2.gz CHYKAYZLIDUJFB-XLIONFOSSA-N 0 3 353.491 3.362 20 30 FGEDHN Cc1nc2c(s1)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000373500281 499473418 /nfs/dbraw/zinc/47/34/18/499473418.db2.gz CYAGZEWTWULRTE-DOTOQJQBSA-N 0 3 350.447 3.199 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H](c2ccccc2)C2CCOCC2)c(C#N)c1C ZINC000378465704 499520220 /nfs/dbraw/zinc/52/02/20/499520220.db2.gz HJSMZVJHGPBVIN-HXUWFJFHSA-N 0 3 367.449 3.464 20 30 FGEDHN N#CCCCn1cc(C(=O)N2CCCN(C3CC3)CC2)c2ccccc21 ZINC000375521556 499528280 /nfs/dbraw/zinc/52/82/80/499528280.db2.gz JAYYNTVPZWFEGT-UHFFFAOYSA-N 0 3 350.466 3.255 20 30 FGEDHN CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000378534396 499529226 /nfs/dbraw/zinc/52/92/26/499529226.db2.gz CRKVEAGDFVDFDJ-WMLDXEAASA-N 0 3 366.469 3.363 20 30 FGEDHN CC(C)[C@@H](CNc1cccc(Br)c1C#N)N1CCN(C)CC1 ZINC000389528174 499552795 /nfs/dbraw/zinc/55/27/95/499552795.db2.gz BGZQNLYADFPQKS-QGZVFWFLSA-N 0 3 365.319 3.005 20 30 FGEDHN C=CCC[C@@H](NC[C@H]1CCCN(c2nccn3cnnc23)C1)c1ccco1 ZINC000375787115 499555736 /nfs/dbraw/zinc/55/57/36/499555736.db2.gz FZGYPAPYLUJNFE-IAGOWNOFSA-N 0 3 366.469 3.231 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCCCC[C@@H]32)cc1 ZINC000376586974 499620834 /nfs/dbraw/zinc/62/08/34/499620834.db2.gz HGNCYPAWGDVIAT-KEYYUXOJSA-N 0 3 361.467 3.169 20 30 FGEDHN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)C(C)C#N)c(Br)c1 ZINC000410104017 499641933 /nfs/dbraw/zinc/64/19/33/499641933.db2.gz PQWUQFONOTZHME-DZGCQCFKSA-N 0 3 365.271 3.425 20 30 FGEDHN N#Cc1ccsc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000376986603 499651882 /nfs/dbraw/zinc/65/18/82/499651882.db2.gz CZQWXMAWIYEONC-UHFFFAOYSA-N 0 3 357.401 3.155 20 30 FGEDHN CC(C)c1ncsc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000410476032 499664105 /nfs/dbraw/zinc/66/41/05/499664105.db2.gz OEBCMCDMFFYDFL-UHFFFAOYSA-N 0 3 356.495 3.342 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000377246526 499673680 /nfs/dbraw/zinc/67/36/80/499673680.db2.gz UUIQETHKJOTZCP-INIZCTEOSA-N 0 3 354.429 3.224 20 30 FGEDHN CN(C)Cc1ccccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000377318864 499679761 /nfs/dbraw/zinc/67/97/61/499679761.db2.gz AXKQLTHCWJEDCU-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@H](NC(=O)C12CCCN1CCC2)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000377954466 499750942 /nfs/dbraw/zinc/75/09/42/499750942.db2.gz DHXYEZQJIUFUBN-AWEZNQCLSA-N 0 3 366.490 3.487 20 30 FGEDHN CN(CCC1(C#N)CCCCC1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000411597908 499767256 /nfs/dbraw/zinc/76/72/56/499767256.db2.gz QTMOMKHTEPOTGV-HKUYNNGSSA-N 0 3 361.509 3.128 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000411759495 499787336 /nfs/dbraw/zinc/78/73/36/499787336.db2.gz QAIRILPULFPFDC-OAQYLSRUSA-N 0 3 363.461 3.380 20 30 FGEDHN CC(C)(CNCc1cn(CCC#N)nc1-c1ccncc1)OCC1CC1 ZINC000414506457 499800358 /nfs/dbraw/zinc/80/03/58/499800358.db2.gz TXZUMSWCGZGSJT-UHFFFAOYSA-N 0 3 353.470 3.154 20 30 FGEDHN C=CCC[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)OCC ZINC000412390814 499851024 /nfs/dbraw/zinc/85/10/24/499851024.db2.gz BPRDLYHMGKZJHA-IBGZPJMESA-N 0 3 358.482 3.300 20 30 FGEDHN C=CCC1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCOCC1 ZINC000425017089 499994726 /nfs/dbraw/zinc/99/47/26/499994726.db2.gz YAIRVCTXKRUFKK-VQTJNVASSA-N 0 3 354.494 3.092 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1F ZINC000421330967 500019146 /nfs/dbraw/zinc/01/91/46/500019146.db2.gz YTNBUZYBFCSXTD-HNNXBMFYSA-N 0 3 368.330 3.246 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000421331197 500019290 /nfs/dbraw/zinc/01/92/90/500019290.db2.gz ZMJPBBDKQNUXGZ-OAHLLOKOSA-N 0 3 370.447 3.439 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1F ZINC000421360775 500026105 /nfs/dbraw/zinc/02/61/05/500026105.db2.gz FQCWUMNUISAGOA-LJQANCHMSA-N 0 3 351.425 3.021 20 30 FGEDHN CCn1c2ccccc2nc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000576504671 506173776 /nfs/dbraw/zinc/17/37/76/506173776.db2.gz CSHFCADHPIEGOL-UHFFFAOYSA-N 0 3 361.493 3.492 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000416681047 500084341 /nfs/dbraw/zinc/08/43/41/500084341.db2.gz JDNVOEWBQADZIN-NRFANRHFSA-N 0 3 362.477 3.497 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416692976 500088761 /nfs/dbraw/zinc/08/87/61/500088761.db2.gz SIKGHVCOGLEIGC-GQIGUUNPSA-N 0 3 354.498 3.355 20 30 FGEDHN C[C@@H]1CC[C@H](N(C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000429583199 500107588 /nfs/dbraw/zinc/10/75/88/500107588.db2.gz ABRCTSJUSDYGTH-PBHICJAKSA-N 0 3 352.400 3.294 20 30 FGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429704562 500127496 /nfs/dbraw/zinc/12/74/96/500127496.db2.gz ADJHDYSIRYEXLR-UHFFFAOYSA-N 0 3 374.554 3.267 20 30 FGEDHN CCOc1ccc(OC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425534747 500136541 /nfs/dbraw/zinc/13/65/41/500136541.db2.gz GOLDPQXGNATBLO-APWZRJJASA-N 0 3 354.450 3.390 20 30 FGEDHN CCO[C@@H]1C[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C12CCCCC2 ZINC000429776192 500143255 /nfs/dbraw/zinc/14/32/55/500143255.db2.gz RRWAWPFLVROIMK-ZWKOTPCHSA-N 0 3 361.530 3.389 20 30 FGEDHN CSC1(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCN(C)CC1 ZINC000425553915 500144281 /nfs/dbraw/zinc/14/42/81/500144281.db2.gz URMUMYJMWCZFCF-HNNXBMFYSA-N 0 3 360.527 3.088 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425605470 500158153 /nfs/dbraw/zinc/15/81/53/500158153.db2.gz CVYCVRGKBNJIHR-XUVXKRRUSA-N 0 3 354.498 3.232 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCCc2cccc(C#N)c2)cc1 ZINC000418138448 500235532 /nfs/dbraw/zinc/23/55/32/500235532.db2.gz FLWZZVZOWNUPPH-FQEVSTJZSA-N 0 3 350.466 3.223 20 30 FGEDHN COCCN(C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418143380 500236542 /nfs/dbraw/zinc/23/65/42/500236542.db2.gz INGUQLMQKLCJSS-HXUWFJFHSA-N 0 3 350.466 3.203 20 30 FGEDHN C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000430407743 500236711 /nfs/dbraw/zinc/23/67/11/500236711.db2.gz XQFCDNQPGAACLH-WTOYTKOKSA-N 0 3 361.489 3.498 20 30 FGEDHN CCc1ccccc1[C@H](N)CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000418661210 500303536 /nfs/dbraw/zinc/30/35/36/500303536.db2.gz ZXRLNMPGNAJYIX-OAQYLSRUSA-N 0 3 362.477 3.495 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000579501655 506189714 /nfs/dbraw/zinc/18/97/14/506189714.db2.gz LHIDYYNPPDROPE-GOSISDBHSA-N 0 3 371.525 3.150 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1(C#N)CCC1 ZINC000419630678 500386394 /nfs/dbraw/zinc/38/63/94/500386394.db2.gz UGZOQZPMHYUBGD-IBGZPJMESA-N 0 3 354.498 3.234 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000427913989 500444789 /nfs/dbraw/zinc/44/47/89/500444789.db2.gz PPFKZHZOAVMDFY-QGZVFWFLSA-N 0 3 356.857 3.420 20 30 FGEDHN CN(C(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1)C1CCCCC1 ZINC000424099175 500452873 /nfs/dbraw/zinc/45/28/73/500452873.db2.gz ILFHYJZWHLUGFE-GOSISDBHSA-N 0 3 356.470 3.051 20 30 FGEDHN COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H](N)CCCC#N)cc1OC ZINC000424117473 500456502 /nfs/dbraw/zinc/45/65/02/500456502.db2.gz YXJCJBCOTGYARK-ZWKOTPCHSA-N 0 3 373.497 3.039 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000424120466 500457441 /nfs/dbraw/zinc/45/74/41/500457441.db2.gz HGSPNZXEGAMTCI-GFCCVEGCSA-N 0 3 364.660 3.163 20 30 FGEDHN C[C@H](CN(C)C(=O)[C@H](N)CCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000424167749 500462346 /nfs/dbraw/zinc/46/23/46/500462346.db2.gz HOEORIASLHTEDF-IAQYHMDHSA-N 0 3 358.269 3.240 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000424173232 500463282 /nfs/dbraw/zinc/46/32/82/500463282.db2.gz OBVXKGCSWPYPFJ-DZGCQCFKSA-N 0 3 369.296 3.100 20 30 FGEDHN C=CCn1cc(CN[C@@H](Cc2ccccc2Br)C2CC2)nn1 ZINC000424291965 500482160 /nfs/dbraw/zinc/48/21/60/500482160.db2.gz FSAIFPADTIOXLH-KRWDZBQOSA-N 0 3 361.287 3.338 20 30 FGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000424327968 500487213 /nfs/dbraw/zinc/48/72/13/500487213.db2.gz NKKCZMRAWXQXQF-YQQAZPJKSA-N 0 3 373.478 3.101 20 30 FGEDHN C=CCC1(c2nc(-c3cccc(OCCN(C)C)c3)no2)CCOCC1 ZINC000424348161 500489985 /nfs/dbraw/zinc/48/99/85/500489985.db2.gz NJHPWEPTBLWFPZ-UHFFFAOYSA-N 0 3 357.454 3.301 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000420794656 500503365 /nfs/dbraw/zinc/50/33/65/500503365.db2.gz CWUSPKVYHOIDFW-KXBFYZLASA-N 0 3 368.506 3.330 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C#N)s2)C1 ZINC000420864612 500517790 /nfs/dbraw/zinc/51/77/90/500517790.db2.gz UHYLRFDNAARFKM-MRXNPFEDSA-N 0 3 368.506 3.283 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2cccc(Br)c2)s1 ZINC000428537402 500522368 /nfs/dbraw/zinc/52/23/68/500522368.db2.gz NIPFHNXUZZZYDL-ZDUSSCGKSA-N 0 3 365.296 3.323 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1C ZINC000428641902 500536466 /nfs/dbraw/zinc/53/64/66/500536466.db2.gz FRSRIZUCPMAKDG-SJLPKXTDSA-N 0 3 365.481 3.018 20 30 FGEDHN Cc1ccc(OCCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000428785428 500557036 /nfs/dbraw/zinc/55/70/36/500557036.db2.gz MDTPHIQIORRRBD-HXUWFJFHSA-N 0 3 351.450 3.492 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000433013581 500606912 /nfs/dbraw/zinc/60/69/12/500606912.db2.gz YAVUTRPRHJXPOY-WOJBJXKFSA-N 0 3 363.461 3.131 20 30 FGEDHN N#CCCC[C@H](NCC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000433013578 500607205 /nfs/dbraw/zinc/60/72/05/500607205.db2.gz YAVUTRPRHJXPOY-PMACEKPBSA-N 0 3 363.461 3.131 20 30 FGEDHN CCc1ccc([C@H]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000433069137 500618854 /nfs/dbraw/zinc/61/88/54/500618854.db2.gz BXUTULWKJKSKQF-LEWJYISDSA-N 0 3 350.462 3.350 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000433218502 500649857 /nfs/dbraw/zinc/64/98/57/500649857.db2.gz JBFZONRQXKZSBT-JOCHJYFZSA-N 0 3 361.489 3.146 20 30 FGEDHN COC(=O)c1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433223001 500650644 /nfs/dbraw/zinc/65/06/44/500650644.db2.gz ZFIWZSNHTQJZDH-IBGZPJMESA-N 0 3 350.418 3.204 20 30 FGEDHN N#Cc1ccc(NCC(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000442983080 500659198 /nfs/dbraw/zinc/65/91/98/500659198.db2.gz ZZHGIZVTYLILQO-UHFFFAOYSA-N 0 3 354.498 3.133 20 30 FGEDHN Cc1cc(C)n(-c2ccc(CNC(=O)C(C#N)CCc3ccccc3)cn2)n1 ZINC000433295196 500663933 /nfs/dbraw/zinc/66/39/33/500663933.db2.gz CMKDXYIOIHWFIS-HXUWFJFHSA-N 0 3 373.460 3.273 20 30 FGEDHN C=CCN1CC[C@H](N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000433296652 500664833 /nfs/dbraw/zinc/66/48/33/500664833.db2.gz SVMNQRPJTNQWCF-RDJZCZTQSA-N 0 3 363.299 3.100 20 30 FGEDHN COCCCN(Cc1ccncc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433350780 500678906 /nfs/dbraw/zinc/67/89/06/500678906.db2.gz GAHHNRCUMGGJJB-HXUWFJFHSA-N 0 3 351.450 3.219 20 30 FGEDHN COc1ccccc1O[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433363575 500681156 /nfs/dbraw/zinc/68/11/56/500681156.db2.gz HVBOKJDUEAQLMD-FUHWJXTLSA-N 0 3 352.434 3.351 20 30 FGEDHN CC(C)n1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000570671994 506212433 /nfs/dbraw/zinc/21/24/33/506212433.db2.gz LKZBUEABABOLDE-SFHVURJKSA-N 0 3 350.470 3.071 20 30 FGEDHN C=CCC[C@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1ccccc1 ZINC000433404381 500687766 /nfs/dbraw/zinc/68/77/66/500687766.db2.gz WTFXVJQMDSWJOM-ICSRJNTNSA-N 0 3 359.514 3.494 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000438450813 500786904 /nfs/dbraw/zinc/78/69/04/500786904.db2.gz GKMYSKIWWIDECA-RBUKOAKNSA-N 0 3 351.535 3.121 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c(F)c1 ZINC000443985498 500787258 /nfs/dbraw/zinc/78/72/58/500787258.db2.gz HJLZRGOCMMGZIC-CYBMUJFWSA-N 0 3 352.331 3.055 20 30 FGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448779747 500831670 /nfs/dbraw/zinc/83/16/70/500831670.db2.gz GVAURKUHQFVURN-QWHCGFSZSA-N 0 3 364.287 3.171 20 30 FGEDHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(C#N)c1Br ZINC000448798531 500837542 /nfs/dbraw/zinc/83/75/42/500837542.db2.gz HZCZZFIJTUEVEZ-CYBMUJFWSA-N 0 3 352.276 3.027 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000448827937 500845615 /nfs/dbraw/zinc/84/56/15/500845615.db2.gz HNAWCHMHYUKIPS-UHFFFAOYSA-N 0 3 354.479 3.038 20 30 FGEDHN CC(C)N(CCOc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1 ZINC000444820277 500906772 /nfs/dbraw/zinc/90/67/72/500906772.db2.gz WNRSWVMHJNGBAN-LJQANCHMSA-N 0 3 354.450 3.087 20 30 FGEDHN C=CC[C@H]1N(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CCCC1(C)C ZINC000445151761 500949459 /nfs/dbraw/zinc/94/94/59/500949459.db2.gz UFVPTQDYEXHDMI-RTBURBONSA-N 0 3 364.578 3.036 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](Nc2ccccc2)C1 ZINC000439915634 500955026 /nfs/dbraw/zinc/95/50/26/500955026.db2.gz PEDGUDPQSFIWGD-LEWJYISDSA-N 0 3 352.478 3.341 20 30 FGEDHN C[C@@H](CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000449285425 500966606 /nfs/dbraw/zinc/96/66/06/500966606.db2.gz QLXFVLBTNSGGCH-VBKZILBWSA-N 0 3 369.415 3.331 20 30 FGEDHN CN(C)C(=O)C1(NCc2ccc(C#N)cc2C(F)(F)F)CCCCC1 ZINC000449459002 501007489 /nfs/dbraw/zinc/00/74/89/501007489.db2.gz JYAXKPBGESOHDP-UHFFFAOYSA-N 0 3 353.388 3.458 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc2c(cc1Br)OCO2 ZINC000435744011 501021871 /nfs/dbraw/zinc/02/18/71/501021871.db2.gz VHMBBMFCFYOZBH-MEDUHNTESA-N 0 3 354.244 3.249 20 30 FGEDHN COc1cc(CNCCOc2ccc(C(F)(F)F)cn2)ccc1C#N ZINC000440608070 501028633 /nfs/dbraw/zinc/02/86/33/501028633.db2.gz DSCNSSCCRNOSCQ-UHFFFAOYSA-N 0 3 351.328 3.149 20 30 FGEDHN CC[C@H](C)N1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000449625992 501045761 /nfs/dbraw/zinc/04/57/61/501045761.db2.gz UOWABJRJIKHIDZ-SFHVURJKSA-N 0 3 351.498 3.380 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000436084819 501068088 /nfs/dbraw/zinc/06/80/88/501068088.db2.gz SNRPAYYRIPTURS-FQEVSTJZSA-N 0 3 351.450 3.272 20 30 FGEDHN C=C(CC)CNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449736824 501071308 /nfs/dbraw/zinc/07/13/08/501071308.db2.gz WNQKSLSFDSOWRN-LBPRGKRZSA-N 0 3 355.276 3.018 20 30 FGEDHN CCN1CCN(CC(C)(C)NCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000449746719 501073438 /nfs/dbraw/zinc/07/34/38/501073438.db2.gz SYHDJLNWQBZVFP-UHFFFAOYSA-N 0 3 368.447 3.083 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cccnc2s1 ZINC000449810081 501093764 /nfs/dbraw/zinc/09/37/64/501093764.db2.gz KBONYLZWWGRSTN-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000450052457 501165616 /nfs/dbraw/zinc/16/56/16/501165616.db2.gz LNEISICSVFIFOI-KBPBESRZSA-N 0 3 362.271 3.020 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000450164591 501197936 /nfs/dbraw/zinc/19/79/36/501197936.db2.gz VWFWETQHLGRVHP-UHFFFAOYSA-N 0 3 352.438 3.312 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000450271440 501223098 /nfs/dbraw/zinc/22/30/98/501223098.db2.gz YGYWFNKDEQFCHC-SFHVURJKSA-N 0 3 374.448 3.091 20 30 FGEDHN CC(C)N1CC[C@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000457604028 501267031 /nfs/dbraw/zinc/26/70/31/501267031.db2.gz XKNMXNKERYTWIX-KRWDZBQOSA-N 0 3 367.415 3.181 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000457669587 501283195 /nfs/dbraw/zinc/28/31/95/501283195.db2.gz NKSRZJOHAQGLLH-NHCUHLMSSA-N 0 3 372.509 3.495 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414302 501287253 /nfs/dbraw/zinc/28/72/53/501287253.db2.gz HYHSUFUBWWGYCV-XWPNQZOQSA-N 0 3 373.472 3.086 20 30 FGEDHN COc1cc(CN2CCC[C@H](O)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000451461741 501297754 /nfs/dbraw/zinc/29/77/54/501297754.db2.gz STLUYFJSIZSHSC-JXFKEZNVSA-N 0 3 366.461 3.491 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1)C(C)C ZINC000457752629 501301541 /nfs/dbraw/zinc/30/15/41/501301541.db2.gz PUNGRAGQTQYVDI-SFHLNBCPSA-N 0 3 361.530 3.038 20 30 FGEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453456867 501337403 /nfs/dbraw/zinc/33/74/03/501337403.db2.gz WSKUMQRXHMNJSL-NTZUZEMLSA-N 0 3 373.545 3.118 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000453465955 501339937 /nfs/dbraw/zinc/33/99/37/501339937.db2.gz NRBIUCOLGDTKIJ-ZWKOTPCHSA-N 0 3 359.518 3.160 20 30 FGEDHN N#Cc1ncc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000455791150 501386896 /nfs/dbraw/zinc/38/68/96/501386896.db2.gz QMFFTEDEGAIJJI-HNNXBMFYSA-N 0 3 369.856 3.393 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)C[C@@H](C)O1 ZINC000455924472 501417340 /nfs/dbraw/zinc/41/73/40/501417340.db2.gz VYVPOVRCUKCWIU-IAGOWNOFSA-N 0 3 370.497 3.106 20 30 FGEDHN CN(C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000452021157 501420235 /nfs/dbraw/zinc/42/02/35/501420235.db2.gz SMMCHWUQQFHWSF-FQEVSTJZSA-N 0 3 362.477 3.461 20 30 FGEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000456061777 501446531 /nfs/dbraw/zinc/44/65/31/501446531.db2.gz KOGBGYYJFYTTKH-SQGPQFPESA-N 0 3 353.510 3.316 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cc(C#N)[nH]c3C)C2)s1 ZINC000582490794 506253575 /nfs/dbraw/zinc/25/35/75/506253575.db2.gz NFYDXNJTCKRIES-OAHLLOKOSA-N 0 3 356.495 3.159 20 30 FGEDHN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456642085 501564709 /nfs/dbraw/zinc/56/47/09/501564709.db2.gz HIDYKHOTGYSJHP-NVXWUHKLSA-N 0 3 367.415 3.102 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000454537552 501572195 /nfs/dbraw/zinc/57/21/95/501572195.db2.gz HLSWWECPGPDUDO-GOSISDBHSA-N 0 3 363.889 3.153 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459033218 501580235 /nfs/dbraw/zinc/58/02/35/501580235.db2.gz ANSLQZXEZXVPJX-ZCNNSNEGSA-N 0 3 357.498 3.026 20 30 FGEDHN CC1(C)CCCN1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000457083840 501647427 /nfs/dbraw/zinc/64/74/27/501647427.db2.gz XWBPPIBVEQBSIV-UHFFFAOYSA-N 0 3 367.449 3.334 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000459474510 501659772 /nfs/dbraw/zinc/65/97/72/501659772.db2.gz XZDIACDXKOFSTD-YZGWKJHDSA-N 0 3 363.417 3.471 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000459526776 501669954 /nfs/dbraw/zinc/66/99/54/501669954.db2.gz PQVZIUIDZAYYFL-LJQANCHMSA-N 0 3 353.853 3.145 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000457408265 501694079 /nfs/dbraw/zinc/69/40/79/501694079.db2.gz PIQSWWVKNSTJAR-QHAWAJNXSA-N 0 3 372.509 3.320 20 30 FGEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCC2 ZINC000459756764 501709491 /nfs/dbraw/zinc/70/94/91/501709491.db2.gz KHTVQAMOBZHABQ-JCGIZDLHSA-N 0 3 359.445 3.008 20 30 FGEDHN CO[C@H]1C[C@H](NCC(=O)N(CCC#N)c2cccc(Cl)c2)C12CCC2 ZINC000459760997 501710234 /nfs/dbraw/zinc/71/02/34/501710234.db2.gz MYBDPVUVYNHBLH-IRXDYDNUSA-N 0 3 361.873 3.134 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000457558631 501720845 /nfs/dbraw/zinc/72/08/45/501720845.db2.gz OUAOIPIFDUPXCV-SFTDATJTSA-N 0 3 372.509 3.149 20 30 FGEDHN CC(C)c1ncsc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000459999473 501724437 /nfs/dbraw/zinc/72/44/37/501724437.db2.gz PCZGOYQTECVPNT-UHFFFAOYSA-N 0 3 356.495 3.342 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N(CC#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000460071501 501725895 /nfs/dbraw/zinc/72/58/95/501725895.db2.gz XBFUZMPTYHPKJS-HUUCEWRRSA-N 0 3 353.388 3.452 20 30 FGEDHN C=CCSCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000460142700 501738949 /nfs/dbraw/zinc/73/89/49/501738949.db2.gz JFKPCGWTZRZJKT-RBUKOAKNSA-N 0 3 359.539 3.069 20 30 FGEDHN C=CCSCCNC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000460142698 501739025 /nfs/dbraw/zinc/73/90/25/501739025.db2.gz JFKPCGWTZRZJKT-MOPGFXCFSA-N 0 3 359.539 3.069 20 30 FGEDHN C[C@H]1[C@H](NC(=O)NCc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000588339609 506272853 /nfs/dbraw/zinc/27/28/53/506272853.db2.gz HUIFBGUMUXNUSC-MGPUTAFESA-N 0 3 366.440 3.160 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCSCc2ccccc2C#N)cc1 ZINC000470742770 501789700 /nfs/dbraw/zinc/78/97/00/501789700.db2.gz DQOIKNIOSJLCAC-FQEVSTJZSA-N 0 3 374.469 3.162 20 30 FGEDHN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCCN(CC)CC1 ZINC000460370266 501806701 /nfs/dbraw/zinc/80/67/01/501806701.db2.gz LVCPOYMGNSZQNO-UHFFFAOYSA-N 0 3 369.513 3.008 20 30 FGEDHN CC(=O)Nc1cccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470804724 501809663 /nfs/dbraw/zinc/80/96/63/501809663.db2.gz ULGCDDZSHPMTAY-LIRRHRJNSA-N 0 3 360.417 3.076 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460391080 501812446 /nfs/dbraw/zinc/81/24/46/501812446.db2.gz UPTHXKSVFMBSFI-SJORKVTESA-N 0 3 354.502 3.144 20 30 FGEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470813890 501812741 /nfs/dbraw/zinc/81/27/41/501812741.db2.gz XMRGREOCTMEHQG-HOTGVXAUSA-N 0 3 362.449 3.198 20 30 FGEDHN Cc1cccc(C)c1OCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470846867 501827575 /nfs/dbraw/zinc/82/75/75/501827575.db2.gz JDOHHROCNCDFNO-FQEVSTJZSA-N 0 3 361.445 3.443 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000485515908 501843851 /nfs/dbraw/zinc/84/38/51/501843851.db2.gz ONAIEIMZFDXVPA-CWJKEVGVSA-N 0 3 356.510 3.479 20 30 FGEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000460564489 501863704 /nfs/dbraw/zinc/86/37/04/501863704.db2.gz XGCYAZXCVUFUAG-UHFFFAOYSA-N 0 3 351.498 3.444 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460589254 501869448 /nfs/dbraw/zinc/86/94/48/501869448.db2.gz ZPHUQHZBGZTNMH-DLBZAZTESA-N 0 3 354.502 3.144 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n(C2CCN(C)CC2)n1 ZINC000464032140 501880328 /nfs/dbraw/zinc/88/03/28/501880328.db2.gz NACNMWMKFBPHND-HNNXBMFYSA-N 0 3 351.454 3.072 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000470983841 501883041 /nfs/dbraw/zinc/88/30/41/501883041.db2.gz PYGFPQGQWJJWJM-PBHICJAKSA-N 0 3 367.836 3.478 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000467844218 501889413 /nfs/dbraw/zinc/88/94/13/501889413.db2.gz OIJXTFCVHDEVQU-QFIPXVFZSA-N 0 3 358.526 3.382 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)c1ccccc1 ZINC000481807128 501889791 /nfs/dbraw/zinc/88/97/91/501889791.db2.gz OEEZKSKZLBCTLX-HBFSDRIKSA-N 0 3 371.525 3.047 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H](O)COc1ccc(F)cc1 ZINC000481922123 501920011 /nfs/dbraw/zinc/92/00/11/501920011.db2.gz MKWVBQBXPHTJIJ-RXVVDRJESA-N 0 3 354.425 3.494 20 30 FGEDHN CC[C@@]1(C)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000468113356 501961003 /nfs/dbraw/zinc/96/10/03/501961003.db2.gz LUZJPQDTQGLNHO-SFHVURJKSA-N 0 3 352.400 3.295 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000478396343 501965761 /nfs/dbraw/zinc/96/57/61/501965761.db2.gz GNJFYTAQZFCBEL-QGZVFWFLSA-N 0 3 367.415 3.231 20 30 FGEDHN C[C@@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000471244155 501966795 /nfs/dbraw/zinc/96/67/95/501966795.db2.gz LXORMIXFQGPZNI-XLIONFOSSA-N 0 3 362.477 3.441 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2cncn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464465136 501996825 /nfs/dbraw/zinc/99/68/25/501996825.db2.gz FQDPOJYWRVGTFE-CQSZACIVSA-N 0 3 357.295 3.171 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1cccc(C#N)c1)N(C)C ZINC000478534911 502011222 /nfs/dbraw/zinc/01/12/22/502011222.db2.gz BJKUJQJONXYRMM-UZLBHIALSA-N 0 3 350.466 3.357 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@H]2N(C)CCCC2(C)C)c(OC)c1 ZINC000468489807 502078417 /nfs/dbraw/zinc/07/84/17/502078417.db2.gz YUZSIASBQGZHSF-LJQANCHMSA-N 0 3 360.498 3.039 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000471604743 502084634 /nfs/dbraw/zinc/08/46/34/502084634.db2.gz CONMMHNGZWWCHN-FQEVSTJZSA-N 0 3 356.429 3.402 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1OC ZINC000482535795 502103418 /nfs/dbraw/zinc/10/34/18/502103418.db2.gz WOAFYJVVXUHZMN-BDTNDASRSA-N 0 3 366.461 3.419 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000464821024 502105648 /nfs/dbraw/zinc/10/56/48/502105648.db2.gz GEZIFYXTZKONDR-HUUCEWRRSA-N 0 3 352.400 3.294 20 30 FGEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596177760 506294370 /nfs/dbraw/zinc/29/43/70/506294370.db2.gz FZXOAEYYFWXSGU-FQEVSTJZSA-N 0 3 364.493 3.265 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000475295073 502123941 /nfs/dbraw/zinc/12/39/41/502123941.db2.gz ZYQIKXQBOSHZNK-QGZVFWFLSA-N 0 3 357.498 3.078 20 30 FGEDHN CN(C)C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588665900 506297943 /nfs/dbraw/zinc/29/79/43/506297943.db2.gz OTODRVHHAXJSGT-PMACEKPBSA-N 0 3 366.440 3.287 20 30 FGEDHN Cc1ccc2c(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)c[nH]c2c1 ZINC000471954735 502182797 /nfs/dbraw/zinc/18/27/97/502182797.db2.gz PSIXDTVDWQCBTN-IBGZPJMESA-N 0 3 356.429 3.389 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475597665 502224211 /nfs/dbraw/zinc/22/42/11/502224211.db2.gz WYGJSNBEQYDUMY-CYBMUJFWSA-N 0 3 369.918 3.000 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000461958950 502253503 /nfs/dbraw/zinc/25/35/03/502253503.db2.gz NKULWMUXBJJQAI-VAMGGRTRSA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2cccn2)c1 ZINC000465413178 502254749 /nfs/dbraw/zinc/25/47/49/502254749.db2.gz RSFXTGKXRHYPDE-HRAATJIYSA-N 0 3 371.444 3.200 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475790072 502293645 /nfs/dbraw/zinc/29/36/45/502293645.db2.gz FEIHPQLWPMOHCS-SFHVURJKSA-N 0 3 357.498 3.080 20 30 FGEDHN C[C@@H]1CCN(C(=O)NCC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000465585646 502315803 /nfs/dbraw/zinc/31/58/03/502315803.db2.gz SAQWPDLHUAUDFL-HXUWFJFHSA-N 0 3 361.489 3.344 20 30 FGEDHN CCN1CC[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1C ZINC000469318807 502374234 /nfs/dbraw/zinc/37/42/34/502374234.db2.gz WUGJILVAYQJXLQ-RHSMWYFYSA-N 0 3 352.438 3.158 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC23CCCC3)cc1 ZINC000483481923 502405724 /nfs/dbraw/zinc/40/57/24/502405724.db2.gz YVHSGCHBRZDJGW-BBRMVZONSA-N 0 3 361.467 3.217 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000465862697 502407396 /nfs/dbraw/zinc/40/73/96/502407396.db2.gz ISLKWYBAACJWOV-CQSZACIVSA-N 0 3 370.280 3.377 20 30 FGEDHN C=CCC1(C(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)CCC1 ZINC000479979548 502436145 /nfs/dbraw/zinc/43/61/45/502436145.db2.gz BDGZGBRFYFGIBD-UHFFFAOYSA-N 0 3 371.525 3.022 20 30 FGEDHN CCC(CC)[C@H](CNC(=O)C(C#N)CCc1ccccc1)N1CCOCC1 ZINC000469508385 502445589 /nfs/dbraw/zinc/44/55/89/502445589.db2.gz KSVUTQXIZDNOFZ-RTWAWAEBSA-N 0 3 371.525 3.012 20 30 FGEDHN C=CCN(CCOc1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213359 506314884 /nfs/dbraw/zinc/31/48/84/506314884.db2.gz DEILDOXIYHDTSH-MRXNPFEDSA-N 0 3 367.428 3.429 20 30 FGEDHN Cc1ccc([C@@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000469620543 502482635 /nfs/dbraw/zinc/48/26/35/502482635.db2.gz JIJKFTUFLZUJAE-KXBFYZLASA-N 0 3 370.474 3.072 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NCC1(N2CCSCC2)CCCCC1 ZINC000483748773 502482773 /nfs/dbraw/zinc/48/27/73/502482773.db2.gz UYOSGTAZAVJXLB-UHFFFAOYSA-N 0 3 371.550 3.089 20 30 FGEDHN C=CCOc1cccc(CN[C@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000462725884 502550244 /nfs/dbraw/zinc/55/02/44/502550244.db2.gz OOYVQACLKCDAQR-IBGZPJMESA-N 0 3 366.461 3.021 20 30 FGEDHN COc1ccc([C@H](CNc2ccc(C#N)c(C)n2)N2CCCCC2)cc1 ZINC000487935860 502572758 /nfs/dbraw/zinc/57/27/58/502572758.db2.gz SRWBYGCZTVNIGF-FQEVSTJZSA-N 0 3 350.466 3.331 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3cccc(F)c3)n2)CC1 ZINC000480597902 502616060 /nfs/dbraw/zinc/61/60/60/502616060.db2.gz YWBGAUQUXPOSCV-UHFFFAOYSA-N 0 3 356.445 3.090 20 30 FGEDHN CC(C)[C@H](CNc1c(C#N)cnc2c(F)cc(F)cc21)N1CCN(C)CC1 ZINC000462920319 502626609 /nfs/dbraw/zinc/62/66/09/502626609.db2.gz XPVHVSBPIMFWCR-SFHVURJKSA-N 0 3 373.451 3.069 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000484344801 502630024 /nfs/dbraw/zinc/63/00/24/502630024.db2.gz VANDDIIAUFVYMK-HXUWFJFHSA-N 0 3 367.493 3.224 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(CC2CC2)CC2CC2)cc1 ZINC000481005353 502725938 /nfs/dbraw/zinc/72/59/38/502725938.db2.gz WQSWOLHTRFVRLC-ZDUSSCGKSA-N 0 3 361.467 3.026 20 30 FGEDHN COc1ccc(C[C@@H](C)CN2CCN(c3cccc(C#N)n3)CC2)cc1F ZINC000470338253 502740502 /nfs/dbraw/zinc/74/05/02/502740502.db2.gz RHYWYYCARATXSG-MRXNPFEDSA-N 0 3 368.456 3.102 20 30 FGEDHN COc1cnccc1N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000481059631 502743359 /nfs/dbraw/zinc/74/33/59/502743359.db2.gz MMKJPOQDNSLDRJ-UHFFFAOYSA-N 0 3 362.355 3.307 20 30 FGEDHN CN(C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000473908470 502745488 /nfs/dbraw/zinc/74/54/88/502745488.db2.gz WCTNROUTLZWUAE-MRXNPFEDSA-N 0 3 369.918 3.000 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CNC2(c3ccccc3)CC2)c(OC)c1 ZINC000477509656 502792965 /nfs/dbraw/zinc/79/29/65/502792965.db2.gz BJLPRBWRKRGFBF-IBGZPJMESA-N 0 3 353.462 3.442 20 30 FGEDHN COC(=O)C1CCN(CCCNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000463427563 502797887 /nfs/dbraw/zinc/79/78/87/502797887.db2.gz BWGBTYLAUIBVKE-UHFFFAOYSA-N 0 3 369.387 3.264 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(O)cc1Cl)C(C)C ZINC000509155782 502835330 /nfs/dbraw/zinc/83/53/30/502835330.db2.gz TVBDTPVQKMXVEY-SFHVURJKSA-N 0 3 350.890 3.403 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)NC(C)(C)CN(C)Cc2ccccc2)c1 ZINC000488970317 502851095 /nfs/dbraw/zinc/85/10/95/502851095.db2.gz IJFZUFNWNDHFMG-UHFFFAOYSA-N 0 3 364.493 3.265 20 30 FGEDHN C=CCC[C@@H](O)CN[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513157533 502866282 /nfs/dbraw/zinc/86/62/82/502866282.db2.gz CIALEMNDRJQTQY-NVXWUHKLSA-N 0 3 370.287 3.144 20 30 FGEDHN C=CCOc1ccccc1CN[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000509428480 502900268 /nfs/dbraw/zinc/90/02/68/502900268.db2.gz DMCBKWMVQBXPCB-IBGZPJMESA-N 0 3 366.461 3.021 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCCN(c3ccccc3F)CC2)c1 ZINC000513365841 502916243 /nfs/dbraw/zinc/91/62/43/502916243.db2.gz HZZLRRVDYVWCGW-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN N#Cc1cc(F)cc(C2(C(=O)N3CCCN(C4CCCC4)CC3)CC2)c1 ZINC000513424989 502934791 /nfs/dbraw/zinc/93/47/91/502934791.db2.gz NVWGVBAYDVFYDT-UHFFFAOYSA-N 0 3 355.457 3.206 20 30 FGEDHN C=CCCCS(=O)(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000489679555 503009432 /nfs/dbraw/zinc/00/94/32/503009432.db2.gz BAOXCIVXWSOMTF-IAGOWNOFSA-N 0 3 350.528 3.029 20 30 FGEDHN C[C@H]1CCN(C)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513724924 503009995 /nfs/dbraw/zinc/00/99/95/503009995.db2.gz NCGCKNMTCQJVFR-KRWDZBQOSA-N 0 3 363.461 3.303 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000596299798 506347802 /nfs/dbraw/zinc/34/78/02/506347802.db2.gz PJHPZORJMKPIDW-KRWDZBQOSA-N 0 3 364.559 3.073 20 30 FGEDHN CC[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N(CC)CC ZINC000506523776 503130938 /nfs/dbraw/zinc/13/09/38/503130938.db2.gz HKINNCYYXMFAIK-HUUCEWRRSA-N 0 3 352.276 3.250 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CNc1ccc(C#N)cc1)N(C)C ZINC000510525226 503133178 /nfs/dbraw/zinc/13/31/78/503133178.db2.gz PQBFIPXDNRVULD-IERDGZPVSA-N 0 3 350.466 3.086 20 30 FGEDHN Cc1ccc2c(c1)[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000514599941 503146409 /nfs/dbraw/zinc/14/64/09/503146409.db2.gz RAPBXSGBAKWCBV-HXUWFJFHSA-N 0 3 354.475 3.308 20 30 FGEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(OC)c(OC)c1 ZINC000506638265 503146818 /nfs/dbraw/zinc/14/68/18/503146818.db2.gz BWDXABOOEUMIPT-DOTOQJQBSA-N 0 3 373.497 3.476 20 30 FGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502162175 503153801 /nfs/dbraw/zinc/15/38/01/503153801.db2.gz CGUBCOLPZNCUOC-ZWKOTPCHSA-N 0 3 366.509 3.477 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)NCc1cc(C#N)ccc1F)c1ccco1 ZINC000498406475 503180434 /nfs/dbraw/zinc/18/04/34/503180434.db2.gz BGGZWFMCQBIDSP-SUMWQHHRSA-N 0 3 358.417 3.219 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000510884810 503210966 /nfs/dbraw/zinc/21/09/66/503210966.db2.gz UAYVGXXHKLQXKV-OAQYLSRUSA-N 0 3 365.452 3.314 20 30 FGEDHN C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000502883687 503298891 /nfs/dbraw/zinc/29/88/91/503298891.db2.gz UBYUNUWPTOCHGD-HLIPFELVSA-N 0 3 356.514 3.456 20 30 FGEDHN COC(=O)[C@]1(C)CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000503210364 503367991 /nfs/dbraw/zinc/36/79/91/503367991.db2.gz ZGVWPXMYTWIWJW-CXAGYDPISA-N 0 3 355.356 3.068 20 30 FGEDHN N#Cc1cccc(OCCN[C@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000503220839 503370216 /nfs/dbraw/zinc/37/02/16/503370216.db2.gz ZFXHIPNUXKWPEV-OAQYLSRUSA-N 0 3 359.429 3.130 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H]2CSC[C@@H]2C)c1C#N ZINC000512182420 503479380 /nfs/dbraw/zinc/47/93/80/503479380.db2.gz RWMIEEHGILIIEP-SCLBCKFNSA-N 0 3 368.506 3.245 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC000508477515 503501601 /nfs/dbraw/zinc/50/16/01/503501601.db2.gz LSIYSBPAHOVHHY-UHFFFAOYSA-N 0 3 369.513 3.130 20 30 FGEDHN C=CCC[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1ccccc1 ZINC000512326216 503520621 /nfs/dbraw/zinc/52/06/21/503520621.db2.gz YXMKSJSOWOHAAF-LJQANCHMSA-N 0 3 353.466 3.459 20 30 FGEDHN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000516650794 503560041 /nfs/dbraw/zinc/56/00/41/503560041.db2.gz ULYCZWGKWHWDMB-RRFJBIMHSA-N 0 3 371.451 3.126 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000504365591 503563332 /nfs/dbraw/zinc/56/33/32/503563332.db2.gz UQHPGVSHORIAKL-LJQANCHMSA-N 0 3 369.509 3.221 20 30 FGEDHN N#CC(C(=O)c1ccc2c(c1)SCC(=O)N2)c1cnc2ccccc2n1 ZINC000516691812 503570741 /nfs/dbraw/zinc/57/07/41/503570741.db2.gz POGRPAAAXHOIAT-GFCCVEGCSA-N 0 3 360.398 3.164 20 30 FGEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508823080 503570858 /nfs/dbraw/zinc/57/08/58/503570858.db2.gz BILPHFLLXZEJAB-UHFFFAOYSA-N 0 3 369.513 3.297 20 30 FGEDHN C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC000508846587 503575528 /nfs/dbraw/zinc/57/55/28/503575528.db2.gz SAFYNDMJAUROKO-UHFFFAOYSA-N 0 3 351.498 3.226 20 30 FGEDHN C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512654851 503604590 /nfs/dbraw/zinc/60/45/90/503604590.db2.gz PGEBSAFTVPMKEG-DKZVUGQWSA-N 0 3 367.468 3.231 20 30 FGEDHN C[C@H](NC1CCN(C(=O)CC(F)(F)F)CC1)c1ccc(C#N)cc1F ZINC000512670819 503609172 /nfs/dbraw/zinc/60/91/72/503609172.db2.gz BKVWZONGSKLQMY-NSHDSACASA-N 0 3 357.351 3.291 20 30 FGEDHN C=C(CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000512676497 503609675 /nfs/dbraw/zinc/60/96/75/503609675.db2.gz CWRSDXDCKTYQRH-RTBURBONSA-N 0 3 371.525 3.231 20 30 FGEDHN CCCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000532921477 503656985 /nfs/dbraw/zinc/65/69/85/503656985.db2.gz PNEZZVYGEFQYQI-UHFFFAOYSA-N 0 3 352.400 3.438 20 30 FGEDHN N#Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000527072919 503668782 /nfs/dbraw/zinc/66/87/82/503668782.db2.gz IILHUTJKBWKYTR-MRXNPFEDSA-N 0 3 353.853 3.464 20 30 FGEDHN CN1c2ccccc2[C@H](NCCSCc2ccccc2C#N)CC1=O ZINC000540168220 503695904 /nfs/dbraw/zinc/69/59/04/503695904.db2.gz FUJMQBRSASZMSS-GOSISDBHSA-N 0 3 351.475 3.489 20 30 FGEDHN COC(=O)c1cc(CN(C)C(=O)C(C#N)CCc2ccccc2)oc1C ZINC000540194394 503702711 /nfs/dbraw/zinc/70/27/11/503702711.db2.gz HAZUDCWDEBDGIG-INIZCTEOSA-N 0 3 354.406 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000517304329 503709479 /nfs/dbraw/zinc/70/94/79/503709479.db2.gz HHLWDSPBFOQEQI-UHFFFAOYSA-N 0 3 366.509 3.188 20 30 FGEDHN COc1ccc(CN2CCc3cc(OC)c(OC)cc3CC2)cc1C#N ZINC000533079537 503724228 /nfs/dbraw/zinc/72/42/28/503724228.db2.gz HVHUKZBJSWWNPW-UHFFFAOYSA-N 0 3 352.434 3.185 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000527319654 503764208 /nfs/dbraw/zinc/76/42/08/503764208.db2.gz HSEQEVSCIMBGRK-QHAWAJNXSA-N 0 3 359.429 3.277 20 30 FGEDHN C=CCN(CCOc1cccc(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529233 503764804 /nfs/dbraw/zinc/76/48/04/503764804.db2.gz OQSISTLXYXQBML-INIZCTEOSA-N 0 3 367.428 3.429 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](COc1ccccc1F)C(C)(C)C ZINC000540590153 503825634 /nfs/dbraw/zinc/82/56/34/503825634.db2.gz BZOZUDDXCKYHGC-MAUKXSAKSA-N 0 3 363.477 3.217 20 30 FGEDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000540607124 503832401 /nfs/dbraw/zinc/83/24/01/503832401.db2.gz OIPNCSPCOXIKGI-UOXRKKOCSA-N 0 3 355.388 3.459 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000537186699 503832582 /nfs/dbraw/zinc/83/25/82/503832582.db2.gz CSUPCGGQOYECJR-IBGZPJMESA-N 0 3 372.557 3.368 20 30 FGEDHN CCc1cc(N2CCC[C@H](N[C@H](C)c3ccc(C#N)c(F)c3)C2)ncn1 ZINC000540708404 503863769 /nfs/dbraw/zinc/86/37/69/503863769.db2.gz WXGVWOBHJOVVRR-KDOFPFPSSA-N 0 3 353.445 3.369 20 30 FGEDHN C=CCN1C(=O)N(C[C@@H]2CCN2C2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000530206670 503875925 /nfs/dbraw/zinc/87/59/25/503875925.db2.gz DJZLPYCVBFKBKL-VQTJNVASSA-N 0 3 367.493 3.065 20 30 FGEDHN C[C@@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000540989118 503966245 /nfs/dbraw/zinc/96/62/45/503966245.db2.gz VQVYQWOCXNVONY-DNVCBOLYSA-N 0 3 353.441 3.115 20 30 FGEDHN Cc1nn(C)c(N2CCN(c3c(C)cnc4c(C)cccc43)CC2)c1C#N ZINC000530464716 503974796 /nfs/dbraw/zinc/97/47/96/503974796.db2.gz ZUCBSJKVCSZVCV-UHFFFAOYSA-N 0 3 360.465 3.092 20 30 FGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000530577361 504015808 /nfs/dbraw/zinc/01/58/08/504015808.db2.gz XGZHJZKCYGSDHR-QMTHXVAHSA-N 0 3 354.237 3.473 20 30 FGEDHN N#Cc1ccc(CN(CCC(=O)Nc2ccc3c(c2)OCO3)C2CC2)cc1 ZINC000544185831 504038971 /nfs/dbraw/zinc/03/89/71/504038971.db2.gz IXBMGXILXMXETM-UHFFFAOYSA-N 0 3 363.417 3.280 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000519004396 504117304 /nfs/dbraw/zinc/11/73/04/504117304.db2.gz UGRVBDHRNGZFGQ-GOSISDBHSA-N 0 3 369.513 3.297 20 30 FGEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)OCC ZINC000534427876 504139558 /nfs/dbraw/zinc/13/95/58/504139558.db2.gz YEIGOVZJMTVWLJ-SFHVURJKSA-N 0 3 354.441 3.226 20 30 FGEDHN C=CCCOCCNC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000534579226 504181455 /nfs/dbraw/zinc/18/14/55/504181455.db2.gz GXMKKKDEPWJRAM-UYAOXDASSA-N 0 3 359.514 3.446 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(OC2CCCCC2)CC1 ZINC000528369420 504192241 /nfs/dbraw/zinc/19/22/41/504192241.db2.gz ZKNWMNDRGTYXEL-GOSISDBHSA-N 0 3 358.482 3.112 20 30 FGEDHN CS[C@H]1CN(c2cc(C)c(C#N)c3nc4ccccc4n32)C[C@H]1N(C)C ZINC000534657605 504206386 /nfs/dbraw/zinc/20/63/86/504206386.db2.gz ARDLPAILAHGCAU-MSOLQXFVSA-N 0 3 365.506 3.149 20 30 FGEDHN COc1ccccc1C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)C(C)C ZINC000541637191 504207355 /nfs/dbraw/zinc/20/73/55/504207355.db2.gz OKKSIBPMESVESZ-HXUWFJFHSA-N 0 3 365.477 3.040 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000528451248 504229843 /nfs/dbraw/zinc/22/98/43/504229843.db2.gz WCEYJWKSOUIVKC-LJQANCHMSA-N 0 3 361.917 3.071 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1OC ZINC000541760977 504245416 /nfs/dbraw/zinc/24/54/16/504245416.db2.gz NBPRPYFFUFAQCM-QGZVFWFLSA-N 0 3 356.470 3.456 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)ccc1OC ZINC000541760977 504245417 /nfs/dbraw/zinc/24/54/17/504245417.db2.gz NBPRPYFFUFAQCM-QGZVFWFLSA-N 0 3 356.470 3.456 20 30 FGEDHN CN(C)[C@]1(CNC(=O)c2ccccc2-c2ccccc2C#N)CCSC1 ZINC000531363549 504279488 /nfs/dbraw/zinc/27/94/88/504279488.db2.gz PNKKFWREZGHOJH-NRFANRHFSA-N 0 3 365.502 3.392 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000531442985 504308777 /nfs/dbraw/zinc/30/87/77/504308777.db2.gz VUBOOTNLGVBDRB-AQNXPRMDSA-N 0 3 354.498 3.342 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538666367 504319255 /nfs/dbraw/zinc/31/92/55/504319255.db2.gz WAOWIQZOOAZQQM-GOSISDBHSA-N 0 3 371.529 3.232 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538666367 504319261 /nfs/dbraw/zinc/31/92/61/504319261.db2.gz WAOWIQZOOAZQQM-GOSISDBHSA-N 0 3 371.529 3.232 20 30 FGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000528753375 504364196 /nfs/dbraw/zinc/36/41/96/504364196.db2.gz BJAUAEZABCFUKJ-JWXAPSBJSA-N 0 3 361.511 3.229 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000548277423 504383136 /nfs/dbraw/zinc/38/31/36/504383136.db2.gz NRTISDXBXLCVCV-SFHVURJKSA-N 0 3 373.566 3.205 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000545193888 504391578 /nfs/dbraw/zinc/39/15/78/504391578.db2.gz SZJSLVZVQYKUPE-UTKZUKDTSA-N 0 3 359.473 3.227 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000545295064 504433908 /nfs/dbraw/zinc/43/39/08/504433908.db2.gz JXIZTHMIQOCORW-UHFFFAOYSA-N 0 3 356.470 3.297 20 30 FGEDHN Cc1ccc(OCCCCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000520396856 504488794 /nfs/dbraw/zinc/48/87/94/504488794.db2.gz QMXVJKFJBUDGKF-UHFFFAOYSA-N 0 3 372.490 3.089 20 30 FGEDHN Cc1nc(SCC(=O)NCC(C)(C)N2CCCCC2)c(C#N)c(C)c1C ZINC000520429676 504496710 /nfs/dbraw/zinc/49/67/10/504496710.db2.gz KYGWOIYFMNKJSE-UHFFFAOYSA-N 0 3 374.554 3.351 20 30 FGEDHN C=CCNC(=O)CN[C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000539361275 504540740 /nfs/dbraw/zinc/54/07/40/504540740.db2.gz POAPZFBECUAPCG-NRFANRHFSA-N 0 3 352.478 3.488 20 30 FGEDHN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000548851109 504591142 /nfs/dbraw/zinc/59/11/42/504591142.db2.gz AERUGRHLGMFWBX-IBGZPJMESA-N 0 3 362.481 3.067 20 30 FGEDHN Cc1[nH]nc2ncc(CN[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cc12 ZINC000520992164 504624262 /nfs/dbraw/zinc/62/42/62/504624262.db2.gz YRQAMMBUXBVYFN-MRXNPFEDSA-N 0 3 364.428 3.036 20 30 FGEDHN CN(CCC(=O)Nc1sccc1C#N)CCc1cccc([N+](=O)[O-])c1 ZINC000548934762 504626828 /nfs/dbraw/zinc/62/68/28/504626828.db2.gz RFDCGSKLRVQECT-UHFFFAOYSA-N 0 3 358.423 3.031 20 30 FGEDHN N#CCC1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000542896326 504650139 /nfs/dbraw/zinc/65/01/39/504650139.db2.gz UQXCJASLGHYOSY-UHFFFAOYSA-N 0 3 364.559 3.073 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C2CC2)C2CCC2)cc1 ZINC000521352315 504715908 /nfs/dbraw/zinc/71/59/08/504715908.db2.gz XTVUBSGRPLUYNJ-PXAZEXFGSA-N 0 3 361.467 3.073 20 30 FGEDHN C=CCN(CCOC)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549201359 504722819 /nfs/dbraw/zinc/72/28/19/504722819.db2.gz IXMNNYLXWXYSAE-LJQANCHMSA-N 0 3 359.514 3.131 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1)OCC ZINC000565085488 504789853 /nfs/dbraw/zinc/78/98/53/504789853.db2.gz BJVXJHPKFHRETK-WMZOPIPTSA-N 0 3 352.906 3.473 20 30 FGEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)COC2 ZINC000562351672 504792054 /nfs/dbraw/zinc/79/20/54/504792054.db2.gz VXIDLCHCABTGCB-YCRPNKLZSA-N 0 3 361.445 3.040 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000556173547 504810581 /nfs/dbraw/zinc/81/05/81/504810581.db2.gz KGBCJNJMIQTLDZ-IERDGZPVSA-N 0 3 353.441 3.076 20 30 FGEDHN Cc1cc(Cl)ccc1OCCCNCc1cnc2c(C#N)cnn2c1 ZINC000556212440 504821175 /nfs/dbraw/zinc/82/11/75/504821175.db2.gz BGBHNFFFBDKCOT-UHFFFAOYSA-N 0 3 355.829 3.122 20 30 FGEDHN CC(C)(C)OC(=O)CCN(Cc1ccc(C#N)s1)C1CCOCC1 ZINC000565302684 504848833 /nfs/dbraw/zinc/84/88/33/504848833.db2.gz DNKQFDFOHYKRFW-UHFFFAOYSA-N 0 3 350.484 3.333 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565652948 504949657 /nfs/dbraw/zinc/94/96/57/504949657.db2.gz BHUUOQXQCSFMDL-UGKGYDQZSA-N 0 3 361.445 3.031 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N(C[C@H]3CCCO3)C3CCCC3)C2=O)cc1 ZINC000560017569 504970602 /nfs/dbraw/zinc/97/06/02/504970602.db2.gz BPTIFDSOPQDBOE-RTWAWAEBSA-N 0 3 367.493 3.477 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC23CCC(CC2)CC3)cc1 ZINC000562882122 504974768 /nfs/dbraw/zinc/97/47/68/504974768.db2.gz IPSHSLFQMLRGLC-WRSVWVKZSA-N 0 3 361.467 3.217 20 30 FGEDHN COCCCN1CCC(NC(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000550140518 504976038 /nfs/dbraw/zinc/97/60/38/504976038.db2.gz GASLOSFSEVOWEI-UHFFFAOYSA-N 0 3 371.506 3.312 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2sccc2C#N)N(C)C)cc1 ZINC000553671562 504979063 /nfs/dbraw/zinc/97/90/63/504979063.db2.gz RKYUBOCWHCITAX-KRWDZBQOSA-N 0 3 357.479 3.440 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000556808494 504981321 /nfs/dbraw/zinc/98/13/21/504981321.db2.gz QVXFIJVKLSZGKJ-FDFHNCONSA-N 0 3 359.473 3.443 20 30 FGEDHN Cc1cc(C#N)ccc1S(=O)(=O)N(CCN1CCCCCC1)C(C)C ZINC000553895441 505035758 /nfs/dbraw/zinc/03/57/58/505035758.db2.gz KPOIPMLOCVEIDQ-UHFFFAOYSA-N 0 3 363.527 3.142 20 30 FGEDHN Cc1ccnc([C@H]2CCN(CC#CCN3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018130 505057025 /nfs/dbraw/zinc/05/70/25/505057025.db2.gz VMIHISARXUTHCB-VXKWHMMOSA-N 0 3 374.532 3.376 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000557182621 505086888 /nfs/dbraw/zinc/08/68/88/505086888.db2.gz XXPWOBHXVLGQFT-FQEVSTJZSA-N 0 3 358.445 3.320 20 30 FGEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000566118669 505087527 /nfs/dbraw/zinc/08/75/27/505087527.db2.gz YGWCKCOYZVUMLG-CRAIPNDOSA-N 0 3 372.538 3.284 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)C(C)(C)C3)sc2C1 ZINC000563546107 505172714 /nfs/dbraw/zinc/17/27/14/505172714.db2.gz YWFPRTGVMIFLIA-CQSZACIVSA-N 0 3 374.554 3.099 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000551488919 505236206 /nfs/dbraw/zinc/23/62/06/505236206.db2.gz RZLVDZVYZQVETR-HXUWFJFHSA-N 0 3 369.440 3.137 20 30 FGEDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cc(C#N)ccc1OC ZINC000551751174 505298156 /nfs/dbraw/zinc/29/81/56/505298156.db2.gz ZOWQVSYNFTZBRE-DNVCBOLYSA-N 0 3 352.434 3.077 20 30 FGEDHN O=C(NCC#Cc1ccccc1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000561449465 505349394 /nfs/dbraw/zinc/34/93/94/505349394.db2.gz SNPPKTRGUVLLRJ-DEOSSOPVSA-N 0 3 373.500 3.346 20 30 FGEDHN CN(C)C[C@H](CNC(=O)COc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000552026069 505373473 /nfs/dbraw/zinc/37/34/73/505373473.db2.gz XQJQKGVLNPFSPL-KRWDZBQOSA-N 0 3 371.868 3.052 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](CCNC(C)=O)C2)cc1OCCCC#N ZINC000558422648 505385549 /nfs/dbraw/zinc/38/55/49/505385549.db2.gz DGDYKYYUJKSDSS-SFHVURJKSA-N 0 3 373.497 3.116 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000567179084 505386789 /nfs/dbraw/zinc/38/67/89/505386789.db2.gz YLGBIRKIGWIQCJ-ACRUOGEOSA-N 0 3 359.473 3.354 20 30 FGEDHN CN(CCC#N)C(=O)CCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000567633985 505520380 /nfs/dbraw/zinc/52/03/80/505520380.db2.gz ZPNXZYCURNZKKF-UHFFFAOYSA-N 0 3 368.456 3.028 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000564859501 505541622 /nfs/dbraw/zinc/54/16/22/505541622.db2.gz FSMWHMYYLVLKAD-GHTZIAJQSA-N 0 3 354.425 3.242 20 30 FGEDHN N#Cc1ccc2ncc(CNC3(c4ccc(F)cc4)CCOCC3)n2c1 ZINC000567764675 505559839 /nfs/dbraw/zinc/55/98/39/505559839.db2.gz OYUJITGCQSBUJT-UHFFFAOYSA-N 0 3 350.397 3.141 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)CN1Cc1ccccc1 ZINC000567776726 505562227 /nfs/dbraw/zinc/56/22/27/505562227.db2.gz LWOURISHYZRJKL-FXAWDEMLSA-N 0 3 354.498 3.375 20 30 FGEDHN CN(Cc1cccc(C#N)c1)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599258974 506387482 /nfs/dbraw/zinc/38/74/82/506387482.db2.gz IWUUXINKVPJCOS-UHFFFAOYSA-N 0 3 358.482 3.253 20 30 FGEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)CC2(C#N)CCOCC2)s1 ZINC000599299227 506403274 /nfs/dbraw/zinc/40/32/74/506403274.db2.gz IGYSIGUSFPKNCR-HUUCEWRRSA-N 0 3 351.516 3.078 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC(=Cc3cccc(F)c3)CC2)CCOCC1 ZINC000599332958 506416745 /nfs/dbraw/zinc/41/67/45/506416745.db2.gz ZHVKXRKMRMNEEE-HXUWFJFHSA-N 0 3 358.457 3.376 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccnc(C#N)c1 ZINC000603132853 506431236 /nfs/dbraw/zinc/43/12/36/506431236.db2.gz YWUHXXXFUHGFLU-SFHVURJKSA-N 0 3 363.465 3.329 20 30 FGEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599395828 506441493 /nfs/dbraw/zinc/44/14/93/506441493.db2.gz LOEVQILRGYDCGU-MSOLQXFVSA-N 0 3 366.889 3.031 20 30 FGEDHN CCOC(=O)c1ccn(-c2cccc(CN[C@@H]3CCC[C@@H](C#N)C3)c2)n1 ZINC000589206655 506484242 /nfs/dbraw/zinc/48/42/42/506484242.db2.gz DWTSASCGTAUOKZ-NVXWUHKLSA-N 0 3 352.438 3.221 20 30 FGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cc(F)c(Br)cc1F ZINC000599540745 506491930 /nfs/dbraw/zinc/49/19/30/506491930.db2.gz BXLRXRCWXGRLOW-NXEZZACHSA-N 0 3 359.214 3.433 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000589344423 506524655 /nfs/dbraw/zinc/52/46/55/506524655.db2.gz LIOKBFNYRXKEBW-CQSZACIVSA-N 0 3 373.478 3.179 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)C(C)C ZINC000593306062 506528190 /nfs/dbraw/zinc/52/81/90/506528190.db2.gz WJDLBZDCCZWBEB-FQEVSTJZSA-N 0 3 352.482 3.282 20 30 FGEDHN CC(C)C[C@H](C)N(C)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632240 506539988 /nfs/dbraw/zinc/53/99/88/506539988.db2.gz XLEFBSQEGAZWDS-KRWDZBQOSA-N 0 3 357.498 3.047 20 30 FGEDHN N#Cc1ccc(C2(NCCOCCOc3ccccc3)CCOCC2)cc1 ZINC000599632201 506540319 /nfs/dbraw/zinc/54/03/19/506540319.db2.gz UPJVVMFCSIQBIR-UHFFFAOYSA-N 0 3 366.461 3.249 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000599657694 506558510 /nfs/dbraw/zinc/55/85/10/506558510.db2.gz KRUMVPNGKVMDDQ-GOSISDBHSA-N 0 3 370.541 3.301 20 30 FGEDHN CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCN(CC)C1 ZINC000596723553 506560592 /nfs/dbraw/zinc/56/05/92/506560592.db2.gz KIEXLCICTHRCCR-CYBMUJFWSA-N 0 3 352.385 3.108 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000583143605 506614006 /nfs/dbraw/zinc/61/40/06/506614006.db2.gz BPGQKFLVUFGBRB-INIZCTEOSA-N 0 3 372.542 3.351 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000593446787 506624901 /nfs/dbraw/zinc/62/49/01/506624901.db2.gz XMLRJXLKEFDVCV-RBUKOAKNSA-N 0 3 356.514 3.456 20 30 FGEDHN N#Cc1cccc(CN2CCC(Nc3cc(N4CCCC4)ncn3)CC2)c1 ZINC000593514464 506663134 /nfs/dbraw/zinc/66/31/34/506663134.db2.gz BKJGTEGJRLPIDJ-UHFFFAOYSA-N 0 3 362.481 3.025 20 30 FGEDHN N#Cc1cccc(CN2CCC(Nc3ccncc3Br)CC2)c1 ZINC000593516426 506665444 /nfs/dbraw/zinc/66/54/44/506665444.db2.gz YMVLJTVJUFNPIB-UHFFFAOYSA-N 0 3 371.282 3.214 20 30 FGEDHN N#Cc1csc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000593669496 506720676 /nfs/dbraw/zinc/72/06/76/506720676.db2.gz QWNQFKSQAMRZRQ-WOJBJXKFSA-N 0 3 353.491 3.095 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)NCC3(C#N)CC3)sc2c1)C1CC1 ZINC000597000891 506724879 /nfs/dbraw/zinc/72/48/79/506724879.db2.gz WQEPOAFIHZWCOR-UHFFFAOYSA-N 0 3 355.467 3.316 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)c2ccccc2C1 ZINC000590077867 506728363 /nfs/dbraw/zinc/72/83/63/506728363.db2.gz VUXXXWYHLCQUDH-HXUWFJFHSA-N 0 3 352.478 3.107 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)nc2)N(CC)CC)cc1 ZINC000599969013 506731149 /nfs/dbraw/zinc/73/11/49/506731149.db2.gz QPSNSDMFPBLVBY-OAQYLSRUSA-N 0 3 364.493 3.257 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3cn4cccc(F)c4n3)CC2)c1 ZINC000593693447 506733995 /nfs/dbraw/zinc/73/39/95/506733995.db2.gz ZVUVMLHSAJRTFW-UHFFFAOYSA-N 0 3 363.440 3.099 20 30 FGEDHN C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)N1CCC(C)CC1 ZINC000609082203 506770910 /nfs/dbraw/zinc/77/09/10/506770910.db2.gz FMHMZDFKYBANMV-ZDUSSCGKSA-N 0 3 366.412 3.402 20 30 FGEDHN C=CCOc1c(Cl)cc(CNC2(CC(=O)OC)CCC2)cc1OC ZINC000600135030 506797237 /nfs/dbraw/zinc/79/72/37/506797237.db2.gz BFKIJVGWPUDSOT-UHFFFAOYSA-N 0 3 353.846 3.489 20 30 FGEDHN CN(CCN1CCCCC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000593883587 506819156 /nfs/dbraw/zinc/81/91/56/506819156.db2.gz QDWUMGZMOUZSMW-UHFFFAOYSA-N 0 3 365.481 3.022 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597220799 506843719 /nfs/dbraw/zinc/84/37/19/506843719.db2.gz MWLXQDOPNBXWKF-UHFFFAOYSA-N 0 3 359.376 3.166 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000593991736 506870423 /nfs/dbraw/zinc/87/04/23/506870423.db2.gz KFXLSCXDIOWWPE-QFBILLFUSA-N 0 3 363.461 3.093 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593995576 506873197 /nfs/dbraw/zinc/87/31/97/506873197.db2.gz XVPPUAZIZZMZOP-GCJKJVERSA-N 0 3 361.489 3.470 20 30 FGEDHN CCC(C)(C)N1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000594021656 506888480 /nfs/dbraw/zinc/88/84/80/506888480.db2.gz YELBGVOGWUYDKT-CQSZACIVSA-N 0 3 362.905 3.345 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032455 506896214 /nfs/dbraw/zinc/89/62/14/506896214.db2.gz IUUNGEIUJHLCCL-UHFFFAOYSA-N 0 3 350.447 3.489 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)Nc3ccccc3[N+](=O)[O-])CCC2)cc1 ZINC000594033360 506897498 /nfs/dbraw/zinc/89/74/98/506897498.db2.gz NTVVJJXJSNUSIR-UHFFFAOYSA-N 0 3 364.405 3.464 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](CC)[C@H]2CCCCO2)cc1 ZINC000594044335 506902407 /nfs/dbraw/zinc/90/24/07/506902407.db2.gz QKOGAISBDYYPRH-WOJBJXKFSA-N 0 3 373.497 3.269 20 30 FGEDHN N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](N4CCCC4)C3)cc2)nc1 ZINC000609517298 506907118 /nfs/dbraw/zinc/90/71/18/506907118.db2.gz BRTSYQIUYXQZPG-GOSISDBHSA-N 0 3 362.433 3.056 20 30 FGEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1ccc(F)cc1Cl ZINC000583753514 506953110 /nfs/dbraw/zinc/95/31/10/506953110.db2.gz NFMQOQYAKYTIET-UHFFFAOYSA-N 0 3 357.820 3.461 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000613206110 506968613 /nfs/dbraw/zinc/96/86/13/506968613.db2.gz OTEXHJQACUUHIK-FXAWDEMLSA-N 0 3 372.472 3.415 20 30 FGEDHN Cc1nc(SCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c(C#N)c(C)c1C ZINC000594197325 507001164 /nfs/dbraw/zinc/00/11/64/507001164.db2.gz CISQTUKNTCUPEJ-MSOLQXFVSA-N 0 3 372.538 3.104 20 30 FGEDHN CN(Cc1ccnc(C#N)c1)[C@H]1CCCC[C@@H]1N(C)Cc1ccnc(C#N)c1 ZINC000613383453 507061626 /nfs/dbraw/zinc/06/16/26/507061626.db2.gz VBCLFEHWBGPCKB-VXKWHMMOSA-N 0 3 374.492 3.095 20 30 FGEDHN CN(C)CCOc1cc(CNc2nc(C(C)(C)C)ccc2C#N)ccn1 ZINC000613431351 507082709 /nfs/dbraw/zinc/08/27/09/507082709.db2.gz XHSOTECFXJKCII-UHFFFAOYSA-N 0 3 353.470 3.198 20 30 FGEDHN CC(C)(C)c1ccc(C#N)c(NCc2ccccc2CN2CC[C@@H](O)C2)n1 ZINC000613429574 507083618 /nfs/dbraw/zinc/08/36/18/507083618.db2.gz XZVBZMURQNEVLH-LJQANCHMSA-N 0 3 364.493 3.429 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H](C2CCC2)C1 ZINC000591062226 507096336 /nfs/dbraw/zinc/09/63/36/507096336.db2.gz YGUZLAVDTWWMFD-AEFFLSMTSA-N 0 3 355.482 3.452 20 30 FGEDHN CCc1cccc2c(C3CCN(C(=O)[C@H](N)CCCC#N)CC3)c[nH]c21 ZINC000600759604 507105185 /nfs/dbraw/zinc/10/51/85/507105185.db2.gz FSFXTLAAYRBAOS-LJQANCHMSA-N 0 3 352.482 3.457 20 30 FGEDHN CC(C)N(C(=O)CC1(C#N)CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597808595 507114247 /nfs/dbraw/zinc/11/42/47/507114247.db2.gz UCKHCGWKWMMCBA-HXUWFJFHSA-N 0 3 369.509 3.208 20 30 FGEDHN CCN(Cc1cccc(Br)c1)C(=O)[C@@H](N)CCCCC#N ZINC000594428645 507127426 /nfs/dbraw/zinc/12/74/26/507127426.db2.gz NQWCOTXUVQWABA-HNNXBMFYSA-N 0 3 352.276 3.209 20 30 FGEDHN CCOC(=O)c1c(NC(=O)[C@@H](N)CCCCC#N)sc(C)c1CC ZINC000594426919 507127540 /nfs/dbraw/zinc/12/75/40/507127540.db2.gz RWQDYSFGCVSANV-ZDUSSCGKSA-N 0 3 351.472 3.145 20 30 FGEDHN CCOC(=O)c1c(NC(=O)[C@H](N)CCCCC#N)sc(C)c1CC ZINC000594426915 507127586 /nfs/dbraw/zinc/12/75/86/507127586.db2.gz RWQDYSFGCVSANV-CYBMUJFWSA-N 0 3 351.472 3.145 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000594432155 507128559 /nfs/dbraw/zinc/12/85/59/507128559.db2.gz YVVUPQWEYWTVFN-CQSZACIVSA-N 0 3 365.359 3.241 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000594431098 507128670 /nfs/dbraw/zinc/12/86/70/507128670.db2.gz HKRWIFFIZLSDKM-GOSISDBHSA-N 0 3 350.422 3.289 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000594430697 507128875 /nfs/dbraw/zinc/12/88/75/507128875.db2.gz BAGDBSBWDSACNW-IBGZPJMESA-N 0 3 351.450 3.260 20 30 FGEDHN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594431929 507128956 /nfs/dbraw/zinc/12/89/56/507128956.db2.gz SROQJNLIUPSSHI-YJBOKZPZSA-N 0 3 370.497 3.217 20 30 FGEDHN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H](N)CCCCC#N ZINC000594435761 507130779 /nfs/dbraw/zinc/13/07/79/507130779.db2.gz KCPCYRWZSQYMGX-HXUWFJFHSA-N 0 3 350.466 3.330 20 30 FGEDHN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594436270 507131449 /nfs/dbraw/zinc/13/14/49/507131449.db2.gz CLVAZPBTNCULRV-WBVHZDCISA-N 0 3 362.905 3.002 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000594435118 507131917 /nfs/dbraw/zinc/13/19/17/507131917.db2.gz ARHIHIXDPVANNL-HOTGVXAUSA-N 0 3 370.280 3.305 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000594436601 507132414 /nfs/dbraw/zinc/13/24/14/507132414.db2.gz OEZGMUXLWRCFEP-FQEVSTJZSA-N 0 3 350.466 3.064 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000594440542 507133459 /nfs/dbraw/zinc/13/34/59/507133459.db2.gz FAPQXYABCTVYAN-KRWDZBQOSA-N 0 3 356.401 3.040 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000594446102 507137100 /nfs/dbraw/zinc/13/71/00/507137100.db2.gz PKELFCYQMAXOEM-CJNGLKHVSA-N 0 3 370.280 3.384 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000594444950 507137295 /nfs/dbraw/zinc/13/72/95/507137295.db2.gz GNSHYUCQUYGMAQ-HIFRSBDPSA-N 0 3 369.296 3.100 20 30 FGEDHN CC(C)c1cc(NC(=O)[C@H](N)CCCCC#N)n(Cc2ccccc2)n1 ZINC000594456788 507143000 /nfs/dbraw/zinc/14/30/00/507143000.db2.gz RPAIMOPUOJJZJL-QGZVFWFLSA-N 0 3 353.470 3.405 20 30 FGEDHN CN(c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1)S(C)(=O)=O ZINC000594501334 507157751 /nfs/dbraw/zinc/15/77/51/507157751.db2.gz JQSQCWVOMFZMJM-UHFFFAOYSA-N 0 3 371.506 3.173 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000613579970 507165084 /nfs/dbraw/zinc/16/50/84/507165084.db2.gz KMUDXZIJNADJNR-CTNGQTDRSA-N 0 3 356.514 3.478 20 30 FGEDHN N#Cc1cc(F)c(NC2CCN([C@H]3CCOC3)CC2)cc1Br ZINC000594566938 507189946 /nfs/dbraw/zinc/18/99/46/507189946.db2.gz OOMABUVZIWAROE-ZDUSSCGKSA-N 0 3 368.250 3.125 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610322994 507194780 /nfs/dbraw/zinc/19/47/80/507194780.db2.gz COGHIDJSIMIEPD-GOSISDBHSA-N 0 3 364.449 3.305 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3ccnc(C#N)c3)sc2c1)C1CC1 ZINC000598027102 507224642 /nfs/dbraw/zinc/22/46/42/507224642.db2.gz GIZZMDUBRQPNIY-UHFFFAOYSA-N 0 3 363.446 3.409 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000610433132 507237009 /nfs/dbraw/zinc/23/70/09/507237009.db2.gz ZTUIACJBEZWZCY-FQEVSTJZSA-N 0 3 359.433 3.114 20 30 FGEDHN CC(C)N1CCN(C2CCN(c3ncc(C#N)c4ccsc43)CC2)CC1 ZINC000601136391 507274000 /nfs/dbraw/zinc/27/40/00/507274000.db2.gz QOFIDIOZVBCGCG-UHFFFAOYSA-N 0 3 369.538 3.163 20 30 FGEDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594938711 507322335 /nfs/dbraw/zinc/32/23/35/507322335.db2.gz OVSXHHUIDDUJCM-OALUTQOASA-N 0 3 350.466 3.468 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)c(F)c1 ZINC000591733910 507342979 /nfs/dbraw/zinc/34/29/79/507342979.db2.gz LBIPBRZLKLEUSH-RXVVDRJESA-N 0 3 354.425 3.242 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000610722141 507364489 /nfs/dbraw/zinc/36/44/89/507364489.db2.gz MILJCNRIWRMBLK-HSALFYBXSA-N 0 3 354.498 3.342 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCN1C[C@@H]2CCCCN2C1=O ZINC000595102145 507393416 /nfs/dbraw/zinc/39/34/16/507393416.db2.gz KLKSJIJXIKGCQB-ICSRJNTNSA-N 0 3 352.482 3.205 20 30 FGEDHN Cc1c([C@H](C)NC2CCN(CC#N)CC2)cnn1-c1cccc(Cl)c1 ZINC000610812811 507400148 /nfs/dbraw/zinc/40/01/48/507400148.db2.gz MYUBEINZSTYATA-AWEZNQCLSA-N 0 3 357.889 3.473 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000610864675 507419564 /nfs/dbraw/zinc/41/95/64/507419564.db2.gz YALIVKGCNJRLPQ-IRXDYDNUSA-N 0 3 352.482 3.138 20 30 FGEDHN CC[C@@H](C)C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC ZINC000584604178 507431258 /nfs/dbraw/zinc/43/12/58/507431258.db2.gz BRGCMLWYERWDSY-OXQOHEQNSA-N 0 3 357.498 3.090 20 30 FGEDHN N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](F)[C@H](N)C3)c2)cc1 ZINC000595229349 507431753 /nfs/dbraw/zinc/43/17/53/507431753.db2.gz QTRNZOVDMBLJBR-QZTJIDSGSA-N 0 3 354.385 3.254 20 30 FGEDHN COc1cccc(CN(Cc2ccnc(C#N)c2)C2CCC(O)CC2)c1 ZINC000610993231 507470496 /nfs/dbraw/zinc/47/04/96/507470496.db2.gz JSWIUOMJJDJNFO-UHFFFAOYSA-N 0 3 351.450 3.268 20 30 FGEDHN CC(C)[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1 ZINC000598569158 507492810 /nfs/dbraw/zinc/49/28/10/507492810.db2.gz BCOLVDWQNPPZTH-OAQYLSRUSA-N 0 3 363.461 3.207 20 30 FGEDHN N#CCSCCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130710 507495696 /nfs/dbraw/zinc/49/56/96/507495696.db2.gz JTERKFHLIMSLED-QAQDUYKDSA-N 0 3 363.483 3.347 20 30 FGEDHN CC(C)[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN1 ZINC000598573024 507495926 /nfs/dbraw/zinc/49/59/26/507495926.db2.gz NWEHZQGLSGRCIW-OAQYLSRUSA-N 0 3 363.461 3.207 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000614396022 507496468 /nfs/dbraw/zinc/49/64/68/507496468.db2.gz PEAGARAMHQMMNR-UHFFFAOYSA-N 0 3 351.425 3.400 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)o2)c1 ZINC000584820739 507522077 /nfs/dbraw/zinc/52/20/77/507522077.db2.gz YLDOHRGQECGMGI-MSOLQXFVSA-N 0 3 364.449 3.389 20 30 FGEDHN CCCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCN(C)C1 ZINC000592226356 507544856 /nfs/dbraw/zinc/54/48/56/507544856.db2.gz KPFOYQKKNFUOJA-CYBMUJFWSA-N 0 3 352.385 3.108 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000598723410 507567784 /nfs/dbraw/zinc/56/77/84/507567784.db2.gz HBQQLHCWOCSFME-LJQANCHMSA-N 0 3 369.440 3.468 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F)CCC2 ZINC000598799813 507607446 /nfs/dbraw/zinc/60/74/46/507607446.db2.gz KDLMWMSNNVXXSR-JOYOIKCWSA-N 0 3 374.384 3.031 20 30 FGEDHN CC(C)(N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(C#N)c1 ZINC000595639144 507609139 /nfs/dbraw/zinc/60/91/39/507609139.db2.gz HVQRIYQSXYTMBZ-HXUWFJFHSA-N 0 3 358.445 3.450 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000602186721 507621086 /nfs/dbraw/zinc/62/10/86/507621086.db2.gz DELBHRSXACMBCP-SFHVURJKSA-N 0 3 362.408 3.181 20 30 FGEDHN N#CCSCCCN1CCN(c2ccc(Br)cc2)CC1 ZINC000595723268 507648471 /nfs/dbraw/zinc/64/84/71/507648471.db2.gz UDOPBWDVLDYVEM-UHFFFAOYSA-N 0 3 354.317 3.218 20 30 FGEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1OCC(=O)NC ZINC000611379902 507651833 /nfs/dbraw/zinc/65/18/33/507651833.db2.gz KNUCYFDELNLXDU-DNVCBOLYSA-N 0 3 351.450 3.485 20 30 FGEDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCc4cc(C#N)ccc43)cn2)CCO1 ZINC000611390519 507658641 /nfs/dbraw/zinc/65/86/41/507658641.db2.gz FRPTZVBTWHCTLB-IIBYNOLFSA-N 0 3 362.477 3.346 20 30 FGEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1OCCO ZINC000611391078 507658689 /nfs/dbraw/zinc/65/86/89/507658689.db2.gz QKTCILCNJHVEHR-LJQANCHMSA-N 0 3 352.434 3.105 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000586806715 507679362 /nfs/dbraw/zinc/67/93/62/507679362.db2.gz GRMMYIXMCDBXOB-IEBWSBKVSA-N 0 3 361.436 3.296 20 30 FGEDHN CC1(C)[C@H](NCc2cnc3c(C#N)cnn3c2)C[C@@H]1OCc1ccccc1 ZINC000592507907 507685894 /nfs/dbraw/zinc/68/58/94/507685894.db2.gz HIELNTSWKFEZCD-MOPGFXCFSA-N 0 3 361.449 3.074 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]([C@H]4CCCCO4)C3)C2=O)cc1 ZINC000595790167 507686795 /nfs/dbraw/zinc/68/67/95/507686795.db2.gz ULJOANILOBLCHA-SESVDKBCSA-N 0 3 367.493 3.335 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000592509675 507687278 /nfs/dbraw/zinc/68/72/78/507687278.db2.gz GNNAEZPCQDBLPA-UHFFFAOYSA-N 0 3 364.902 3.399 20 30 FGEDHN CN(c1ccccc1)[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000595825199 507702324 /nfs/dbraw/zinc/70/23/24/507702324.db2.gz CVICQNFYHSSFIV-QGZVFWFLSA-N 0 3 354.479 3.159 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NC[C@@H]3CCOc4ccccc43)C2=O)cc1 ZINC000611509148 507712589 /nfs/dbraw/zinc/71/25/89/507712589.db2.gz KRPZFXQMVHIMPX-PXNSSMCTSA-N 0 3 361.445 3.210 20 30 FGEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602515894 507734626 /nfs/dbraw/zinc/73/46/26/507734626.db2.gz DQIBBWQDWQXAEO-IRXDYDNUSA-N 0 3 357.498 3.403 20 30 FGEDHN CN(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602550369 507745779 /nfs/dbraw/zinc/74/57/79/507745779.db2.gz BKDAPWAYPOKVNZ-CVEARBPZSA-N 0 3 371.312 3.124 20 30 FGEDHN Cc1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc1-n1cnnn1 ZINC000330334766 568254636 /nfs/dbraw/zinc/25/46/36/568254636.db2.gz QYUDRWJQEASOAJ-QGZVFWFLSA-N 0 3 354.458 3.356 20 30 FGEDHN Cc1csc(C(C#N)C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000041520504 695763178 /nfs/dbraw/zinc/76/31/78/695763178.db2.gz FSUKAOAFJGCNMS-CVEARBPZSA-N 0 3 355.463 3.391 20 30 FGEDHN C=C(Br)CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074867314 700201132 /nfs/dbraw/zinc/20/11/32/700201132.db2.gz OKQQJAYTLSTARX-INIZCTEOSA-N 0 3 366.303 3.201 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000113078852 700567475 /nfs/dbraw/zinc/56/74/75/700567475.db2.gz ZJUGHPPUYKTZAX-INIZCTEOSA-N 0 3 351.277 3.442 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1cncc(C)c1 ZINC000131987903 700822369 /nfs/dbraw/zinc/82/23/69/700822369.db2.gz RSGDUABEXUZEIE-CYBMUJFWSA-N 0 3 357.797 3.322 20 30 FGEDHN CCc1noc(CC)c1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000178084096 705652987 /nfs/dbraw/zinc/65/29/87/705652987.db2.gz GDTPALIGVVVALJ-AWEZNQCLSA-N 0 3 359.813 3.343 20 30 FGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cncc(Br)c2)c1 ZINC000193436019 712891004 /nfs/dbraw/zinc/89/10/04/712891004.db2.gz UDBCCXAVOIQFQO-AWEZNQCLSA-N 0 3 358.195 3.114 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2ccccc2F)cc1Cl ZINC000193477051 712892720 /nfs/dbraw/zinc/89/27/20/712892720.db2.gz YFAINNPMMPFPBN-ZDUSSCGKSA-N 0 3 360.772 3.378 20 30 FGEDHN N#Cc1c(F)ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1Cl ZINC000374639086 713935963 /nfs/dbraw/zinc/93/59/63/713935963.db2.gz HDAFYPIZPJWNAM-SUMWQHHRSA-N 0 3 352.837 3.008 20 30 FGEDHN N#Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)nc1Cl ZINC000375087618 713966242 /nfs/dbraw/zinc/96/62/42/713966242.db2.gz AIXMOISYCAALRE-CYBMUJFWSA-N 0 3 374.897 3.310 20 30 FGEDHN CN1CCN(Cc2ccc(CNc3nc(Cl)c(C#N)s3)cc2)CC1 ZINC000804355365 724506684 /nfs/dbraw/zinc/50/66/84/724506684.db2.gz YRJDVDGMKFJYQQ-UHFFFAOYSA-N 0 3 361.902 3.028 20 30 FGEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000661415421 720245102 /nfs/dbraw/zinc/24/51/02/720245102.db2.gz RXHNRCKEIOHRLR-MJGOQNOKSA-N 0 3 351.535 3.310 20 30 FGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000662081665 720372821 /nfs/dbraw/zinc/37/28/21/720372821.db2.gz QKWDUCIUHSUHCI-IYBDPMFKSA-N 0 3 350.409 3.130 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCS2)cc1Cl ZINC000783356637 724748987 /nfs/dbraw/zinc/74/89/87/724748987.db2.gz RHOGFDHSXOAGHR-FZMZJTMJSA-N 0 3 352.843 3.282 20 30 FGEDHN N#Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164900002 721515714 /nfs/dbraw/zinc/51/57/14/721515714.db2.gz MZZYHFPPJUYQHN-GDBMZVCRSA-N 0 3 372.831 3.088 20 30 FGEDHN COC(=O)CCCN1CCC(N=Nc2ncc(Cl)cc2Cl)CC1 ZINC000727058622 722440646 /nfs/dbraw/zinc/44/06/46/722440646.db2.gz CBQJENBDKPNCCY-UHFFFAOYSA-N 0 3 359.257 3.205 20 30 FGEDHN CCC(=O)N[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000729088749 722457114 /nfs/dbraw/zinc/45/71/14/722457114.db2.gz GQLWBHHNJLTWCP-ZJUUUORDSA-N 0 3 363.389 3.179 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000730064027 722464866 /nfs/dbraw/zinc/46/48/66/722464866.db2.gz KIEKZIZKSXNWPS-UHFFFAOYSA-N 0 3 352.822 3.410 20 30 FGEDHN C[C@H](NC(=O)c1cccs1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416374 722468216 /nfs/dbraw/zinc/46/82/16/722468216.db2.gz CPJVAJSTWPOMBP-GXSJLCMTSA-N 0 3 373.434 3.492 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)C(=O)OC(C)(C)C ZINC000730924327 722471842 /nfs/dbraw/zinc/47/18/42/722471842.db2.gz WOBUYENUISLHOD-LLVKDONJSA-N 0 3 363.414 3.479 20 30 FGEDHN CN1CCC(NC(=S)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000739438430 722533040 /nfs/dbraw/zinc/53/30/40/722533040.db2.gz WXYUJTDJTZFGIX-UHFFFAOYSA-N 0 3 370.547 3.345 20 30 FGEDHN C=CCN1CCC(NC(=S)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000742996635 722562270 /nfs/dbraw/zinc/56/22/70/722562270.db2.gz GRSDFVAHZNQJRU-UHFFFAOYSA-N 0 3 373.444 3.200 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NCC2(S(C)(=O)=O)CCC2)cc1 ZINC000794829850 723548226 /nfs/dbraw/zinc/54/82/26/723548226.db2.gz RPOKDXSLPBERNE-AWEZNQCLSA-N 0 3 357.903 3.436 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2occ3c2CCC3)cc1Cl ZINC000796791200 723655086 /nfs/dbraw/zinc/65/50/86/723655086.db2.gz DDVSXNDVZPEAQJ-ZDUSSCGKSA-N 0 3 358.781 3.391 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000798013372 723898899 /nfs/dbraw/zinc/89/88/99/723898899.db2.gz KHPKEMGMUAUECG-WMLDXEAASA-N 0 3 351.277 3.311 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000798014939 723898917 /nfs/dbraw/zinc/89/89/17/723898917.db2.gz FZFANJWXNRKJAP-DOTOQJQBSA-N 0 3 351.277 3.311 20 30 FGEDHN C#C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)C ZINC000799042733 723984143 /nfs/dbraw/zinc/98/41/43/723984143.db2.gz NDHBWBKKWICLFX-SJLPKXTDSA-N 0 3 352.400 3.215 20 30 FGEDHN N#CC(C(=O)COc1ccsc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000800387325 724190100 /nfs/dbraw/zinc/19/01/00/724190100.db2.gz RWQYFKFLKJVJKN-NSHDSACASA-N 0 3 352.774 3.267 20 30 FGEDHN N#Cc1ccc(Br)c(COC(=O)C2CCN(C3CC3)CC2)c1 ZINC000801874086 724342956 /nfs/dbraw/zinc/34/29/56/724342956.db2.gz IEESORIKSRPYCD-UHFFFAOYSA-N 0 3 363.255 3.238 20 30 FGEDHN C[C@H](C#N)OCCN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000801931254 724347185 /nfs/dbraw/zinc/34/71/85/724347185.db2.gz VNJIIRGHDZBATR-IXDOHACOSA-N 0 3 351.491 3.169 20 30 FGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cc1nc(C)sc1C)c1ccccc1 ZINC000786511009 724985034 /nfs/dbraw/zinc/98/50/34/724985034.db2.gz IQJSGBMSLAQOFD-JKSUJKDBSA-N 0 3 355.463 3.279 20 30 FGEDHN C#C[C@@H](NCc1cc(I)c(OC)c(OC)c1)C(C)C ZINC000809685391 725258722 /nfs/dbraw/zinc/25/87/22/725258722.db2.gz QRUKJZRXRAJJEA-CYBMUJFWSA-N 0 3 373.234 3.056 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000809697333 725259850 /nfs/dbraw/zinc/25/98/50/725259850.db2.gz DYBRCBPEQRHEEN-NVXWUHKLSA-N 0 3 355.404 3.029 20 30 FGEDHN CCC[C@H](C(=O)C(C#N)c1nc(C(=O)OCC)cs1)c1ccccn1 ZINC000810555387 725314521 /nfs/dbraw/zinc/31/45/21/725314521.db2.gz YWYOJHWKADNDFH-QWHCGFSZSA-N 0 3 357.435 3.475 20 30 FGEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000812971124 726827097 /nfs/dbraw/zinc/82/70/97/726827097.db2.gz XCUAWIHDKCLTSS-QGZVFWFLSA-N 0 3 355.360 3.311 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(F)c(Br)c1 ZINC000813059479 726834260 /nfs/dbraw/zinc/83/42/60/726834260.db2.gz AGSXFOVJMMLAPH-JOYOIKCWSA-N 0 3 367.218 3.069 20 30 FGEDHN C#CCNC(=O)CCN(Cc1ccccc1Br)CC(C)C ZINC000815061817 727029658 /nfs/dbraw/zinc/02/96/58/727029658.db2.gz IZNFHRRCPKZTIL-UHFFFAOYSA-N 0 3 351.288 3.047 20 30 FGEDHN C#CCN(C)CCCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000818606419 727316377 /nfs/dbraw/zinc/31/63/77/727316377.db2.gz SNLQSOSAWRWCLR-UHFFFAOYSA-N 0 3 367.927 3.139 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCCN(C)C2)s1 ZINC000819246673 727361250 /nfs/dbraw/zinc/36/12/50/727361250.db2.gz DBPUQODCKYFLFZ-GFCCVEGCSA-N 0 3 359.948 3.049 20 30 FGEDHN Cc1cnc(CCCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000835064048 729854644 /nfs/dbraw/zinc/85/46/44/729854644.db2.gz ANEPIQDVBVVPPS-GFCCVEGCSA-N 0 3 363.776 3.446 20 30 FGEDHN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000835340610 729880277 /nfs/dbraw/zinc/88/02/77/729880277.db2.gz NPEUHCWYYJTMCV-SKDRFNHKSA-N 0 3 362.298 3.268 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC ZINC000842288057 730480756 /nfs/dbraw/zinc/48/07/56/730480756.db2.gz GOHQDHNXQMOPCN-LRDDRELGSA-N 0 3 366.845 3.366 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2scc3c2OCCO3)cc1 ZINC000847624422 731071750 /nfs/dbraw/zinc/07/17/50/731071750.db2.gz VASSZSXRJCQRDE-CYBMUJFWSA-N 0 3 356.403 3.043 20 30 FGEDHN Cc1cc(C(=O)OCC2(C#N)CCN(Cc3ccccc3)CC2)ns1 ZINC000847747744 731086784 /nfs/dbraw/zinc/08/67/84/731086784.db2.gz PORKFPTWMCJLRI-UHFFFAOYSA-N 0 3 355.463 3.414 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000848427563 731164029 /nfs/dbraw/zinc/16/40/29/731164029.db2.gz SCEXEYFLIVVAKM-GOEBONIOSA-N 0 3 353.388 3.433 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000850459874 731359200 /nfs/dbraw/zinc/35/92/00/731359200.db2.gz IRJAYNUPLJTWTR-LLVKDONJSA-N 0 3 369.836 3.480 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000850758642 731385732 /nfs/dbraw/zinc/38/57/32/731385732.db2.gz BXYTWEMAKPBROZ-JHJVBQTASA-N 0 3 364.829 3.120 20 30 FGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000850977565 731408477 /nfs/dbraw/zinc/40/84/77/731408477.db2.gz 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FGEDHN C#C[C@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000894869637 742344597 /nfs/dbraw/zinc/34/45/97/742344597.db2.gz ATEMYXMZUSPZPD-IRXDYDNUSA-N 0 3 364.283 3.441 20 30 FGEDHN Cc1cc(CNCc2cccc(NS(=O)(=O)C3CC3)c2)ccc1C#N ZINC000898290725 742770974 /nfs/dbraw/zinc/77/09/74/742770974.db2.gz XEQFFTSDGIHCOT-UHFFFAOYSA-N 0 3 355.463 3.061 20 30 FGEDHN C=C(C)[C@@H](CC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)OCC ZINC000899047957 742860358 /nfs/dbraw/zinc/86/03/58/742860358.db2.gz GPQFPFIQMPQRMA-OAHLLOKOSA-N 0 3 350.850 3.021 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900604089 743135434 /nfs/dbraw/zinc/13/54/34/743135434.db2.gz AHWDZXMZKBRWGB-UHFFFAOYSA-N 0 3 355.797 3.158 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC000912068220 757262095 /nfs/dbraw/zinc/26/20/95/757262095.db2.gz QBEXKUZGITUHAF-GFCCVEGCSA-N 0 3 350.875 3.220 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000916878497 758149829 /nfs/dbraw/zinc/14/98/29/758149829.db2.gz YWQVPRLQACPHRI-HIFRSBDPSA-N 0 3 350.846 3.431 20 30 FGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000916944704 758156307 /nfs/dbraw/zinc/15/63/07/758156307.db2.gz LFYUMEZBHCDXFQ-CYBMUJFWSA-N 0 3 364.188 3.358 20 30 FGEDHN CO[C@@H](CCNCc1cc(C#N)ccc1Br)C(F)(F)F ZINC000922041902 758840624 /nfs/dbraw/zinc/84/06/24/758840624.db2.gz ORBZGYFRFGORIU-LBPRGKRZSA-N 0 3 351.166 3.378 20 30 FGEDHN CN(C)C[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)c1ccc(Cl)cc1 ZINC000932900758 761267503 /nfs/dbraw/zinc/26/75/03/761267503.db2.gz CQODCPNQAJFACZ-STQMWFEESA-N 0 3 362.783 3.086 20 30 FGEDHN N#CCSCCCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000933636127 761444043 /nfs/dbraw/zinc/44/40/43/761444043.db2.gz FWQSTOICRQCNBC-INIZCTEOSA-N 0 3 351.903 3.181 20 30 FGEDHN Cn1cc([C@H]2CSCCCN2CCCOc2ccc(C#N)cc2)cn1 ZINC000933979773 761513758 /nfs/dbraw/zinc/51/37/58/761513758.db2.gz AFVUQGZRGZBMCR-LJQANCHMSA-N 0 3 356.495 3.241 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CN(C)Cc1csc(C)c1 ZINC000960929045 762743465 /nfs/dbraw/zinc/74/34/65/762743465.db2.gz VQMWPWFDIAEWFS-QYZOEREBSA-N 0 3 362.539 3.461 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCCN(CC(=C)Cl)C2)CC1 ZINC000961410798 762748628 /nfs/dbraw/zinc/74/86/28/762748628.db2.gz JBVWWALJCHQGEO-OTWHNJEPSA-N 0 3 366.933 3.281 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2ccc(Cl)s2)C(C)(C)C1 ZINC000996328061 765000761 /nfs/dbraw/zinc/00/07/61/765000761.db2.gz ADBFYPKSIYMGSI-QLFBSQMISA-N 0 3 368.930 3.319 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NCc2c(F)cccc2Cl)CC1 ZINC000997010797 765037945 /nfs/dbraw/zinc/03/79/45/765037945.db2.gz BJXNBPABWNUWEZ-KDOFPFPSSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC001000232441 765207112 /nfs/dbraw/zinc/20/71/12/765207112.db2.gz OHMYGRDNFGBDHY-NFAWXSAZSA-N 0 3 354.903 3.073 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001004488603 765434020 /nfs/dbraw/zinc/43/40/20/765434020.db2.gz FUUIXRLSUOJFRL-QRVBRYPASA-N 0 3 366.933 3.257 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001020726916 765887592 /nfs/dbraw/zinc/88/75/92/765887592.db2.gz YQEWOHNWIKMJKP-OVWQWFNUSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC001022099321 765973206 /nfs/dbraw/zinc/97/32/06/765973206.db2.gz HYNSNDGPBVFEMS-HPFXQQBRSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(Br)CNC1CCC(NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001026530676 766075586 /nfs/dbraw/zinc/07/55/86/766075586.db2.gz ABHCTGXLIXJGPH-LBDPXKHJSA-N 0 3 355.320 3.348 20 30 FGEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001034475497 766243653 /nfs/dbraw/zinc/24/36/53/766243653.db2.gz ZPUACPNWWNFSAP-QLFBSQMISA-N 0 3 352.400 3.364 20 30 FGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)CC1 ZINC001040877101 766329410 /nfs/dbraw/zinc/32/94/10/766329410.db2.gz SHIKLUHUQSOQSO-RBUKOAKNSA-N 0 3 356.897 3.391 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001050693524 766853197 /nfs/dbraw/zinc/85/31/97/766853197.db2.gz INRHYYWKRHNLTJ-ALOLOFKDSA-N 0 3 352.906 3.035 20 30 FGEDHN Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)n(C2CCN(C)CC2)n1 ZINC000573671139 505592952 /nfs/dbraw/zinc/59/29/52/505592952.db2.gz PQXFKEYZYRYHHW-UHFFFAOYSA-N 0 3 357.845 3.236 20 30 FGEDHN C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)C1 ZINC000576808987 505599760 /nfs/dbraw/zinc/59/97/60/505599760.db2.gz ORAYTMTVPXARQJ-LVNJIZSUSA-N 0 3 366.509 3.307 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@H]2C[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000571157502 505667553 /nfs/dbraw/zinc/66/75/53/505667553.db2.gz CKYXOSABAOGOJG-AQNXPRMDSA-N 0 3 371.452 3.448 20 30 FGEDHN COc1ccccc1C[C@@H](C)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000075896562 493792947 /nfs/dbraw/zinc/79/29/47/493792947.db2.gz MOKPNQQFLZJARP-XLIONFOSSA-N 0 3 368.477 3.064 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000075964312 493801753 /nfs/dbraw/zinc/80/17/53/493801753.db2.gz YCYRNMYVFWIGOC-OALUTQOASA-N 0 3 368.502 3.412 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC(C#N)CC1 ZINC000057878830 493811726 /nfs/dbraw/zinc/81/17/26/493811726.db2.gz CYGMEJJLCKLXLX-UHFFFAOYSA-N 0 3 351.454 3.053 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC3(C2)CCOCC3)cc1 ZINC000076177600 493837927 /nfs/dbraw/zinc/83/79/27/493837927.db2.gz XZRQZFRESNYRNG-SFHVURJKSA-N 0 3 355.482 3.133 20 30 FGEDHN C=CCCO[C@H](C)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000068801025 493876037 /nfs/dbraw/zinc/87/60/37/493876037.db2.gz NFPWCLKLKKDFPW-QGZVFWFLSA-N 0 3 360.498 3.005 20 30 FGEDHN C[C@H](NCC1(c2ccccc2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000030507884 493894118 /nfs/dbraw/zinc/89/41/18/493894118.db2.gz ULLSSUWIIFKEAC-KRWDZBQOSA-N 0 3 363.461 3.223 20 30 FGEDHN CC(C)(C)c1n[nH]cc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068991349 493903523 /nfs/dbraw/zinc/90/35/23/493903523.db2.gz YCLQOGNPYNLPGX-INIZCTEOSA-N 0 3 355.461 3.477 20 30 FGEDHN COC(=O)[C@@H](C)CN(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000060333787 493923532 /nfs/dbraw/zinc/92/35/32/493923532.db2.gz LEULCDAFGFPBJS-KRWDZBQOSA-N 0 3 352.434 3.248 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC000081751223 493950531 /nfs/dbraw/zinc/95/05/31/493950531.db2.gz CWWHAIZJVMCKEH-UHFFFAOYSA-N 0 3 366.465 3.384 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000076802213 493973241 /nfs/dbraw/zinc/97/32/41/493973241.db2.gz WMSDNBOMMCHZSR-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNC[C@H](O)C3CCOCC3)c2)c1 ZINC000076906332 493987008 /nfs/dbraw/zinc/98/70/08/493987008.db2.gz NECBZEIDMWSQJN-QFIPXVFZSA-N 0 3 366.461 3.014 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1ccc(C#N)cc1 ZINC000084318920 494062993 /nfs/dbraw/zinc/06/29/93/494062993.db2.gz ZSWPWZJOYSGWEW-OAHLLOKOSA-N 0 3 356.495 3.454 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 ZINC000574121153 505697965 /nfs/dbraw/zinc/69/79/65/505697965.db2.gz DCCXHGCCPFSFRN-UHFFFAOYSA-N 0 3 351.498 3.442 20 30 FGEDHN COCCN(CCC(=O)Nc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000063753969 494084223 /nfs/dbraw/zinc/08/42/23/494084223.db2.gz MZICRWKEGVIBBM-UHFFFAOYSA-N 0 3 355.413 3.175 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNC[C@H](CO)c3cccnc3)c2)c1 ZINC000577298501 505702361 /nfs/dbraw/zinc/70/23/61/505702361.db2.gz OSYOAVUJLMMJRC-JOCHJYFZSA-N 0 3 373.456 3.398 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000065432994 494196892 /nfs/dbraw/zinc/19/68/92/494196892.db2.gz BEZMUASPSRIQMU-DYESRHJHSA-N 0 3 363.461 3.447 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)COc1ccc(C#N)cc1 ZINC000065936404 494258103 /nfs/dbraw/zinc/25/81/03/494258103.db2.gz ALZZIGJOHVTVAY-UHFFFAOYSA-N 0 3 371.868 3.181 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000055290648 494324140 /nfs/dbraw/zinc/32/41/40/494324140.db2.gz BUZXBYMSQSTJLN-NRFANRHFSA-N 0 3 366.461 3.078 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000066390381 494325254 /nfs/dbraw/zinc/32/52/54/494325254.db2.gz YVAGEOFIGYMQSE-KRWDZBQOSA-N 0 3 362.489 3.277 20 30 FGEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000066391983 494326338 /nfs/dbraw/zinc/32/63/38/494326338.db2.gz XIRMUJJQQAWQFC-CYBMUJFWSA-N 0 3 371.308 3.322 20 30 FGEDHN Cc1cc(F)cc2c1ncc(C#N)c2NC1CCN([C@@H]2CCOC2)CC1 ZINC000089602743 494330299 /nfs/dbraw/zinc/33/02/99/494330299.db2.gz JLSPCQZZTNYQII-QGZVFWFLSA-N 0 3 354.429 3.219 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)C(C)C ZINC000089707145 494348023 /nfs/dbraw/zinc/34/80/23/494348023.db2.gz YZOHYNCTCBZIOF-HOTGVXAUSA-N 0 3 363.527 3.423 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccsc1 ZINC000089737959 494351058 /nfs/dbraw/zinc/35/10/58/494351058.db2.gz JPWBAWYVEQCOOQ-IBGZPJMESA-N 0 3 371.506 3.392 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCN2c3ccccc3CC[C@H]2C)CC1 ZINC000073437009 494370745 /nfs/dbraw/zinc/37/07/45/494370745.db2.gz IUBUDMIVUQQXFX-GOSISDBHSA-N 0 3 355.526 3.375 20 30 FGEDHN CC(C)(C)c1ncc(CNC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000067010927 494455270 /nfs/dbraw/zinc/45/52/70/494455270.db2.gz CZJNOZOHAYEFHK-UHFFFAOYSA-N 0 3 355.511 3.466 20 30 FGEDHN CN(CCC#N)c1ccc(CNCc2cccc(N3CCCC3=O)c2)cc1 ZINC000067120697 494478717 /nfs/dbraw/zinc/47/87/17/494478717.db2.gz UEUXXVSJPURCKV-UHFFFAOYSA-N 0 3 362.477 3.453 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccc(F)cc3F)CC2)CC1 ZINC000090561515 494482589 /nfs/dbraw/zinc/48/25/89/494482589.db2.gz QAAXFOMQIDSHBZ-UHFFFAOYSA-N 0 3 363.452 3.336 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Nc3ccccc3F)CC2)CC1 ZINC000074130217 494485830 /nfs/dbraw/zinc/48/58/30/494485830.db2.gz PDJLOBBSGWCPFI-UHFFFAOYSA-N 0 3 374.504 3.452 20 30 FGEDHN C=C(C)C[NH+]1CCC(Nc2c(C(=O)[O-])cnc3c(C)c(C)ccc32)CC1 ZINC000571407361 505726654 /nfs/dbraw/zinc/72/66/54/505726654.db2.gz DJDRRJPUQVBWIH-UHFFFAOYSA-N 0 3 353.466 3.424 20 30 FGEDHN N#Cc1cccc(CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000067570085 494570486 /nfs/dbraw/zinc/57/04/86/494570486.db2.gz HYJIVPRRCPLJIC-NRFANRHFSA-N 0 3 362.477 3.270 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000080063936 494582456 /nfs/dbraw/zinc/58/24/56/494582456.db2.gz GYMXVSMZEDWDGP-SIKLNZKXSA-N 0 3 361.489 3.390 20 30 FGEDHN C[C@H]1CN(CC2CCN(c3ccc4cc(C#N)ccc4n3)CC2)C[C@H](C)O1 ZINC000091478180 494607105 /nfs/dbraw/zinc/60/71/05/494607105.db2.gz DKWIWTPFSDCIDH-IRXDYDNUSA-N 0 3 364.493 3.432 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)N1CCCC1 ZINC000056972098 494608567 /nfs/dbraw/zinc/60/85/67/494608567.db2.gz GJENAXRLJVVUQK-KRWDZBQOSA-N 0 3 363.461 3.351 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000121158688 494622688 /nfs/dbraw/zinc/62/26/88/494622688.db2.gz IFNFCBNBBBPZLG-ROUUACIJSA-N 0 3 371.525 3.278 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000115823655 494632955 /nfs/dbraw/zinc/63/29/55/494632955.db2.gz LDSYZOOANLMICF-NRFANRHFSA-N 0 3 370.541 3.337 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484816 494642490 /nfs/dbraw/zinc/64/24/90/494642490.db2.gz GMJJYDUECXOWMW-OAHLLOKOSA-N 0 3 369.490 3.433 20 30 FGEDHN N#Cc1ccc([C@@H](S[C@@H]2CCCN(Cc3ccccc3)C2)C(N)=O)cc1 ZINC000580326347 505733045 /nfs/dbraw/zinc/73/30/45/505733045.db2.gz OMIUKMDIBNAATF-WOJBJXKFSA-N 0 3 365.502 3.482 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CCC4(CC3)OCCO4)c2)c1 ZINC000126126887 494645790 /nfs/dbraw/zinc/64/57/90/494645790.db2.gz LWQLVWKMDPSCIR-UHFFFAOYSA-N 0 3 364.445 3.476 20 30 FGEDHN N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000067862845 494670414 /nfs/dbraw/zinc/67/04/14/494670414.db2.gz HLQPHWKDOJFUIW-IBGZPJMESA-N 0 3 361.445 3.104 20 30 FGEDHN CC(=O)NC1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000092670254 494706356 /nfs/dbraw/zinc/70/63/56/494706356.db2.gz UXSDZCHFSZHSMA-UHFFFAOYSA-N 0 3 363.461 3.238 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccccc1OCC#N ZINC000131926593 494775102 /nfs/dbraw/zinc/77/51/02/494775102.db2.gz ZALAQOOKVXZTSN-GOSISDBHSA-N 0 3 363.461 3.326 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000047909156 494792227 /nfs/dbraw/zinc/79/22/27/494792227.db2.gz OOQYVDJBKSQXMY-INIZCTEOSA-N 0 3 372.513 3.215 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(NC(=O)c3ccoc3C)CC2)cc1 ZINC000093010324 494807757 /nfs/dbraw/zinc/80/77/57/494807757.db2.gz YNCIYQUEZCLORY-UHFFFAOYSA-N 0 3 366.461 3.385 20 30 FGEDHN N#CCSc1cccc(C(=O)Nc2cnn(CCN3CCCCC3)c2)c1 ZINC000093078303 494822226 /nfs/dbraw/zinc/82/22/26/494822226.db2.gz WCCHYBIODAYOGR-UHFFFAOYSA-N 0 3 369.494 3.237 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000574344174 505751179 /nfs/dbraw/zinc/75/11/79/505751179.db2.gz GSHCOBRPMQVLSU-MAUKXSAKSA-N 0 3 354.479 3.136 20 30 FGEDHN C[C@@H](CNC(=O)CSc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000110351333 494971816 /nfs/dbraw/zinc/97/18/16/494971816.db2.gz ALUDVHFNRUYFOK-INIZCTEOSA-N 0 3 353.491 3.287 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000118394440 494999716 /nfs/dbraw/zinc/99/97/16/494999716.db2.gz MPAFHNGIPNVCFK-OAHLLOKOSA-N 0 3 355.404 3.206 20 30 FGEDHN CC(C)OCCCNC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397198 494999883 /nfs/dbraw/zinc/99/98/83/494999883.db2.gz IRIPKJGYXYPFIT-KRWDZBQOSA-N 0 3 357.498 3.263 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000574372830 505757996 /nfs/dbraw/zinc/75/79/96/505757996.db2.gz TUJREJKDONERHK-YLJYHZDGSA-N 0 3 366.486 3.486 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111234147 495051677 /nfs/dbraw/zinc/05/16/77/495051677.db2.gz MFUDSSUFJAPYRY-INIZCTEOSA-N 0 3 352.482 3.331 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123078235 495077230 /nfs/dbraw/zinc/07/72/30/495077230.db2.gz KZLAVDIUNJVMMD-FOIQADDNSA-N 0 3 356.441 3.398 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000128307529 495077265 /nfs/dbraw/zinc/07/72/65/495077265.db2.gz CUGMYPOWZCKDOB-YWZLYKJASA-N 0 3 366.440 3.017 20 30 FGEDHN CC(C)(C#N)c1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000129145305 495202397 /nfs/dbraw/zinc/20/23/97/495202397.db2.gz VEMCIMXCOUHQSJ-UHFFFAOYSA-N 0 3 355.482 3.461 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1Cl ZINC000134906958 495220271 /nfs/dbraw/zinc/22/02/71/495220271.db2.gz IETJMUXCZQZXND-DNVCBOLYSA-N 0 3 372.900 3.099 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000134914474 495222783 /nfs/dbraw/zinc/22/27/83/495222783.db2.gz UULVFNQMQJMXJF-VQIMIIECSA-N 0 3 365.502 3.430 20 30 FGEDHN N#CCCCOc1cccc(CNCCNC(=O)c2c(F)cccc2F)c1 ZINC000112710606 495227859 /nfs/dbraw/zinc/22/78/59/495227859.db2.gz FVIJWKDQFUIPBU-UHFFFAOYSA-N 0 3 373.403 3.167 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1C#N ZINC000134958559 495231055 /nfs/dbraw/zinc/23/10/55/495231055.db2.gz ZPIHIIFLNFIIIE-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN C=C(C)COCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000135037463 495242330 /nfs/dbraw/zinc/24/23/30/495242330.db2.gz XEGBNJFTPDYVOO-RDJZCZTQSA-N 0 3 351.516 3.023 20 30 FGEDHN C=CCNc1ncc(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000129423591 495243706 /nfs/dbraw/zinc/24/37/06/495243706.db2.gz PYMFHPJYIXQLLD-KRWDZBQOSA-N 0 3 370.522 3.335 20 30 FGEDHN C[C@]1(O)CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000124185623 495247886 /nfs/dbraw/zinc/24/78/86/495247886.db2.gz CBZCPGNPQDTWSC-IBGZPJMESA-N 0 3 361.511 3.064 20 30 FGEDHN N#CC(C(=O)c1ccc(I)c(F)c1)c1ccccn1 ZINC000103798373 495256749 /nfs/dbraw/zinc/25/67/49/495256749.db2.gz IZDJPDQQWIPKEF-JTQLQIEISA-N 0 3 366.133 3.315 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000129708650 495284005 /nfs/dbraw/zinc/28/40/05/495284005.db2.gz FNISEKBYRZYGHK-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN CN(C)Cc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104488784 495286121 /nfs/dbraw/zinc/28/61/21/495286121.db2.gz IUJGKIHNKZQQIB-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000120142327 495315288 /nfs/dbraw/zinc/31/52/88/495315288.db2.gz YLXLCNDHKHQEOI-FXAWDEMLSA-N 0 3 372.852 3.105 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000136212369 495364234 /nfs/dbraw/zinc/36/42/34/495364234.db2.gz HXQSVNQNUIFDDX-OXJNMPFZSA-N 0 3 357.498 3.061 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000106037593 495406233 /nfs/dbraw/zinc/40/62/33/495406233.db2.gz WOGJJUMJNCQTNL-UHFFFAOYSA-N 0 3 364.493 3.131 20 30 FGEDHN CCN1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114689335 495409938 /nfs/dbraw/zinc/40/99/38/495409938.db2.gz ZPIVLCGXGUDUEV-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)c(Br)s2)CC1 ZINC000130893082 495462440 /nfs/dbraw/zinc/46/24/40/495462440.db2.gz WLYWBIJIPMZCEY-UHFFFAOYSA-N 0 3 373.316 3.290 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(C3CCCCC3)CC2)c(C#N)c1C ZINC000141746659 495509971 /nfs/dbraw/zinc/50/99/71/495509971.db2.gz HEUSWKXQQMGBPH-OAHLLOKOSA-N 0 3 358.486 3.045 20 30 FGEDHN COc1cccc(C2(CN[C@H](C(N)=O)c3ccc(C#N)cc3)CCCC2)c1 ZINC000115599828 495521116 /nfs/dbraw/zinc/52/11/16/495521116.db2.gz HBYLQKADIBGODB-FQEVSTJZSA-N 0 3 363.461 3.195 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000107373648 495526255 /nfs/dbraw/zinc/52/62/55/495526255.db2.gz PLQPFSWSLPPHLQ-UHFFFAOYSA-N 0 3 357.845 3.202 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000185425880 495572154 /nfs/dbraw/zinc/57/21/54/495572154.db2.gz IAZUUXKQUJDQOE-GOSISDBHSA-N 0 3 368.485 3.075 20 30 FGEDHN NC(=NOCCCCC(F)(F)F)c1ccccc1CN1CCC(O)CC1 ZINC000154317961 495578591 /nfs/dbraw/zinc/57/85/91/495578591.db2.gz OZGPHGGGKNNQHN-UHFFFAOYSA-N 0 3 373.419 3.013 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(COc3ccccc3F)on2)CC1 ZINC000185488227 495595411 /nfs/dbraw/zinc/59/54/11/495595411.db2.gz SZRBRKYGTCBQPO-UHFFFAOYSA-N 0 3 373.428 3.163 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)N(C)C)cc1 ZINC000170934866 495658782 /nfs/dbraw/zinc/65/87/82/495658782.db2.gz XBXGXIIWBHGSKS-HXUWFJFHSA-N 0 3 368.456 3.362 20 30 FGEDHN CCN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159118275 495663031 /nfs/dbraw/zinc/66/30/31/495663031.db2.gz YTSOWFMZHWSGLH-OAQYLSRUSA-N 0 3 362.477 3.364 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000150928998 495685221 /nfs/dbraw/zinc/68/52/21/495685221.db2.gz YOBZXPFIAVAOHW-LEWJYISDSA-N 0 3 371.525 3.464 20 30 FGEDHN N#Cc1ccccc1CSCCNCc1ccccc1N1CCOCC1 ZINC000171131538 495737424 /nfs/dbraw/zinc/73/74/24/495737424.db2.gz DEJNIPGALJVIBQ-UHFFFAOYSA-N 0 3 367.518 3.418 20 30 FGEDHN C=CCOc1ccccc1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171225885 495777695 /nfs/dbraw/zinc/77/76/95/495777695.db2.gz ISXKAOUWQLUVSH-ROUUACIJSA-N 0 3 372.509 3.213 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000151229190 495777913 /nfs/dbraw/zinc/77/79/13/495777913.db2.gz BXBMYMULGFQEEY-GDBMZVCRSA-N 0 3 356.857 3.394 20 30 FGEDHN C=CCC[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000180039965 495834231 /nfs/dbraw/zinc/83/42/31/495834231.db2.gz JLEKOAGREYWFCK-VQTJNVASSA-N 0 3 359.491 3.421 20 30 FGEDHN C=CCCOCCN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186185768 495889811 /nfs/dbraw/zinc/88/98/11/495889811.db2.gz UFJMCWCBWKYWAF-OALUTQOASA-N 0 3 351.512 3.262 20 30 FGEDHN CN1CC[C@H](NC(=O)c2cccc(SCC#N)c2)[C@@H]1c1ccccc1 ZINC000180167369 495889799 /nfs/dbraw/zinc/88/97/99/495889799.db2.gz ILQTWLVMFHKRDH-OALUTQOASA-N 0 3 351.475 3.477 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000151664206 495911927 /nfs/dbraw/zinc/91/19/27/495911927.db2.gz ITYSQVOIYFFQAM-GOSISDBHSA-N 0 3 355.388 3.403 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414658 495987791 /nfs/dbraw/zinc/98/77/91/495987791.db2.gz QBHQDXFTDWCPEY-BEFAXECRSA-N 0 3 356.422 3.414 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000171705711 495997794 /nfs/dbraw/zinc/99/77/94/495997794.db2.gz WIYUIKSPPZQLEF-UHFFFAOYSA-N 0 3 357.376 3.035 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000171722653 496007119 /nfs/dbraw/zinc/00/71/19/496007119.db2.gz AQZLBLDBULCWIL-UHFFFAOYSA-N 0 3 355.507 3.428 20 30 FGEDHN C=CCN1CCC(NC(=O)CSc2nccn2-c2ccccc2C)CC1 ZINC000171724286 496008633 /nfs/dbraw/zinc/00/86/33/496008633.db2.gz IHYFVLHOCIDIEM-UHFFFAOYSA-N 0 3 370.522 3.039 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000171736890 496012985 /nfs/dbraw/zinc/01/29/85/496012985.db2.gz GQFSAACBZDDZSM-UHFFFAOYSA-N 0 3 353.413 3.080 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000183816159 496126176 /nfs/dbraw/zinc/12/61/76/496126176.db2.gz HPYFDUDPNZTWSJ-QGZVFWFLSA-N 0 3 373.378 3.468 20 30 FGEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000184007822 496198634 /nfs/dbraw/zinc/19/86/34/496198634.db2.gz IJKTWEHBOPPLAS-LJQANCHMSA-N 0 3 362.477 3.488 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000172336138 496258253 /nfs/dbraw/zinc/25/82/53/496258253.db2.gz XUYAEVRKJKRGGF-UHFFFAOYSA-N 0 3 373.341 3.163 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)ccc1OCCN1CCCC1 ZINC000172382665 496276580 /nfs/dbraw/zinc/27/65/80/496276580.db2.gz LILVXAIRICVDFF-UHFFFAOYSA-N 0 3 364.449 3.297 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181216026 496315158 /nfs/dbraw/zinc/31/51/58/496315158.db2.gz ZMNRRLFYCRQCOV-PBHICJAKSA-N 0 3 355.463 3.316 20 30 FGEDHN CC(C)(CCc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000156719321 496319425 /nfs/dbraw/zinc/31/94/25/496319425.db2.gz ICVJYZXKXWVIPM-UHFFFAOYSA-N 0 3 356.491 3.333 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCc2ccc(OC)cc2OC)CC1 ZINC000153335485 496424208 /nfs/dbraw/zinc/42/42/08/496424208.db2.gz QVZRLVVORZZJAN-UHFFFAOYSA-N 0 3 360.498 3.183 20 30 FGEDHN CC(=O)c1c(C)cc(C)c(CN(C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000153336048 496424413 /nfs/dbraw/zinc/42/44/13/496424413.db2.gz ZOUBHQJYANWUSW-UHFFFAOYSA-N 0 3 353.470 3.056 20 30 FGEDHN COc1cc(CN2CC[C@@H](NCc3cc(C#N)cs3)C2)cc(OC)c1 ZINC000153350870 496428709 /nfs/dbraw/zinc/42/87/09/496428709.db2.gz YYVWFQRGFIDWEH-MRXNPFEDSA-N 0 3 357.479 3.001 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3c[nH]nc3-c3ccccn3)CC2)cc1 ZINC000184712254 496502411 /nfs/dbraw/zinc/50/24/11/496502411.db2.gz GIZBFMAQFFDDMI-UHFFFAOYSA-N 0 3 358.449 3.420 20 30 FGEDHN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181698344 496507802 /nfs/dbraw/zinc/50/78/02/496507802.db2.gz HMRLYULNLIWBIK-INIZCTEOSA-N 0 3 371.506 3.237 20 30 FGEDHN COCCC1(CN[C@H]2CCN(c3sccc3C#N)C2=O)CCCCC1 ZINC000184725406 496508878 /nfs/dbraw/zinc/50/88/78/496508878.db2.gz FGVPWGKJXYDWNJ-INIZCTEOSA-N 0 3 361.511 3.302 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C2CCOCC2)CC1 ZINC000153608822 496517134 /nfs/dbraw/zinc/51/71/34/496517134.db2.gz VUCPPGWBKNKJLU-OAQYLSRUSA-N 0 3 359.510 3.293 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1C#N ZINC000157669072 496526411 /nfs/dbraw/zinc/52/64/11/496526411.db2.gz YNVTVOFDTGXGQU-UHFFFAOYSA-N 0 3 356.470 3.438 20 30 FGEDHN CCOc1ccc([C@@H](C)NC(=O)CCCNCc2ccc(C#N)o2)cc1 ZINC000153642507 496529872 /nfs/dbraw/zinc/52/98/72/496529872.db2.gz BITNPJQEICFGKI-OAHLLOKOSA-N 0 3 355.438 3.297 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)cc1 ZINC000157716663 496536910 /nfs/dbraw/zinc/53/69/10/496536910.db2.gz MRTLRYNBJMOTJL-MSOLQXFVSA-N 0 3 365.477 3.170 20 30 FGEDHN CCN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184800424 496537538 /nfs/dbraw/zinc/53/75/38/496537538.db2.gz HUSIESRPLQURHI-HXUWFJFHSA-N 0 3 359.477 3.302 20 30 FGEDHN N#Cc1ccc(CN(CCCN2CCOCC2)Cc2cccc(F)c2)cc1 ZINC000157763866 496547748 /nfs/dbraw/zinc/54/77/48/496547748.db2.gz ABJXJYYZESXGGR-UHFFFAOYSA-N 0 3 367.468 3.422 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000173102262 496549997 /nfs/dbraw/zinc/54/99/97/496549997.db2.gz ZXVDDHVDBKUYLH-UHFFFAOYSA-N 0 3 369.509 3.039 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000163920623 496570495 /nfs/dbraw/zinc/57/04/95/496570495.db2.gz QCSBTEQCNPWKDX-NRFANRHFSA-N 0 3 358.526 3.105 20 30 FGEDHN CCc1noc(CC)c1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181878534 496583408 /nfs/dbraw/zinc/58/34/08/496583408.db2.gz NSCHBRTZXLKISQ-UHFFFAOYSA-N 0 3 352.482 3.425 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(Cl)c(N)cc1OC)C(C)C ZINC000165201521 496652131 /nfs/dbraw/zinc/65/21/31/496652131.db2.gz ZHPRGXKFXNHLFP-QGZVFWFLSA-N 0 3 365.905 3.359 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000179145859 496690833 /nfs/dbraw/zinc/69/08/33/496690833.db2.gz LFSCZGXFEORNHQ-UHFFFAOYSA-N 0 3 370.280 3.007 20 30 FGEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188338623 496756253 /nfs/dbraw/zinc/75/62/53/496756253.db2.gz KYYOEAVHNFUFLV-QGZVFWFLSA-N 0 3 351.425 3.291 20 30 FGEDHN Cc1nc(CC(C)C)oc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000188574957 496837754 /nfs/dbraw/zinc/83/77/54/496837754.db2.gz YYIQKXSQIANQNJ-UHFFFAOYSA-N 0 3 368.481 3.257 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2ccncc2)CC1 ZINC000191635214 496841587 /nfs/dbraw/zinc/84/15/87/496841587.db2.gz RSABDALYCCWXER-NRFANRHFSA-N 0 3 352.478 3.429 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccccc2OC(F)F)CC1 ZINC000264360769 496881876 /nfs/dbraw/zinc/88/18/76/496881876.db2.gz DMPUGISVZTVHCM-CYBMUJFWSA-N 0 3 353.413 3.299 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(OCC(F)F)c2)CC1 ZINC000264377032 496886239 /nfs/dbraw/zinc/88/62/39/496886239.db2.gz KGPFRQXOYSAKBM-UHFFFAOYSA-N 0 3 367.440 3.170 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CCC(C#N)CC1)c1cccc(OC)c1 ZINC000195325833 496889124 /nfs/dbraw/zinc/88/91/24/496889124.db2.gz BCCQDZKUVRBHIA-IBGZPJMESA-N 0 3 358.486 3.023 20 30 FGEDHN Cc1ccc(C(=O)N2CCC(NCc3ccc(C#N)cc3F)CC2)cc1 ZINC000269401731 496938987 /nfs/dbraw/zinc/93/89/87/496938987.db2.gz GINCMHFLJAXOEC-UHFFFAOYSA-N 0 3 351.425 3.400 20 30 FGEDHN N#CC(C(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1ccccn1 ZINC000574883683 505875714 /nfs/dbraw/zinc/87/57/14/505875714.db2.gz QQERPAVYEHYFOA-AWEZNQCLSA-N 0 3 357.797 3.178 20 30 FGEDHN N#Cc1ccc(CN(CCC(=O)N2CCc3ccccc3C2)C2CC2)cc1 ZINC000188981604 496967761 /nfs/dbraw/zinc/96/77/61/496967761.db2.gz OULASMIKEDTUHA-UHFFFAOYSA-N 0 3 359.473 3.498 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192144729 497010837 /nfs/dbraw/zinc/01/08/37/497010837.db2.gz JEIYZKZJNFHEKY-YLJYHZDGSA-N 0 3 374.387 3.344 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21)OCC ZINC000270015787 497041885 /nfs/dbraw/zinc/04/18/85/497041885.db2.gz HEUGJMSIJQVGEM-AZUAARDMSA-N 0 3 372.509 3.462 20 30 FGEDHN CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(C#N)cc1 ZINC000278257862 497053346 /nfs/dbraw/zinc/05/33/46/497053346.db2.gz NHXYNUTUCPFFSV-IFXJQAMLSA-N 0 3 357.479 3.268 20 30 FGEDHN C[C@H](S[C@H]1CCCN(Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000578192100 505883429 /nfs/dbraw/zinc/88/34/29/505883429.db2.gz ASAXBJCLMQZEEW-WMZOPIPTSA-N 0 3 357.523 3.335 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000265354600 497106752 /nfs/dbraw/zinc/10/67/52/497106752.db2.gz YELUVHRHNRZUHF-SXAWMYDMSA-N 0 3 358.482 3.073 20 30 FGEDHN C=CCC[C@H](C(=O)NC[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000189491969 497136584 /nfs/dbraw/zinc/13/65/84/497136584.db2.gz SICJOLSRCNFWMF-FPOVZHCZSA-N 0 3 357.542 3.126 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(CC)CC ZINC000249053584 497155509 /nfs/dbraw/zinc/15/55/09/497155509.db2.gz ONXSWTPBNGASKM-XUVXKRRUSA-N 0 3 369.509 3.233 20 30 FGEDHN N#CCCN(Cc1ccccn1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278577228 497156784 /nfs/dbraw/zinc/15/67/84/497156784.db2.gz JVKBJFIDWNZQIV-QFIPXVFZSA-N 0 3 364.493 3.088 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC(C)(C)CC2)cc1 ZINC000278658743 497180680 /nfs/dbraw/zinc/18/06/80/497180680.db2.gz QIGAGPZMCJZWFP-CQSZACIVSA-N 0 3 363.483 3.416 20 30 FGEDHN CC[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278693889 497191645 /nfs/dbraw/zinc/19/16/45/497191645.db2.gz KPMKGHFWOPKYOC-LJQANCHMSA-N 0 3 354.429 3.170 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000278773564 497216543 /nfs/dbraw/zinc/21/65/43/497216543.db2.gz YVYNEAPJYSBALU-DYVFJYSZSA-N 0 3 361.467 3.169 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)cc(OC)c1OC ZINC000237346525 497223173 /nfs/dbraw/zinc/22/31/73/497223173.db2.gz YOVLONSERMJMPA-YWZLYKJASA-N 0 3 368.477 3.385 20 30 FGEDHN Cc1nc2n(n1)C[C@@H](NCc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000237713050 497280180 /nfs/dbraw/zinc/28/01/80/497280180.db2.gz LKORTSYPWFCHNA-FQEVSTJZSA-N 0 3 373.460 3.142 20 30 FGEDHN N#Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1C(F)(F)F ZINC000266370294 497318051 /nfs/dbraw/zinc/31/80/51/497318051.db2.gz ISSQMHAGXRUUBB-UHFFFAOYSA-N 0 3 352.360 3.325 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OCc3ccccc3)CC2)cc1 ZINC000279180052 497358135 /nfs/dbraw/zinc/35/81/35/497358135.db2.gz BHYXELGQAKVUDY-NRFANRHFSA-N 0 3 373.456 3.448 20 30 FGEDHN Cc1ccc([C@H](O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000266632771 497385888 /nfs/dbraw/zinc/38/58/88/497385888.db2.gz VMJGRIPHADWJEO-OAQYLSRUSA-N 0 3 363.461 3.251 20 30 FGEDHN CN(C[C@H]1OCCc2ccccc21)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279267329 497387994 /nfs/dbraw/zinc/38/79/94/497387994.db2.gz IVIXOLGVGVDAJV-PZJWPPBQSA-N 0 3 359.429 3.013 20 30 FGEDHN CC(C)CCOC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279366785 497419601 /nfs/dbraw/zinc/41/96/01/497419601.db2.gz RMFPYODPYQIHQD-LJQANCHMSA-N 0 3 353.466 3.294 20 30 FGEDHN CCN(CCc1nccs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279404855 497430388 /nfs/dbraw/zinc/43/03/88/497430388.db2.gz MWESPEHRRQTDPJ-UHFFFAOYSA-N 0 3 366.494 3.380 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000275806509 497436665 /nfs/dbraw/zinc/43/66/65/497436665.db2.gz PKTSLCSZTMUYPR-QFIPXVFZSA-N 0 3 356.510 3.265 20 30 FGEDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279450437 497441630 /nfs/dbraw/zinc/44/16/30/497441630.db2.gz MBXKFQUCSTXNNO-UHFFFAOYSA-N 0 3 364.405 3.010 20 30 FGEDHN C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC#N)cc1 ZINC000271771753 497444658 /nfs/dbraw/zinc/44/46/58/497444658.db2.gz DGCRLPYVJPRZGF-GCJKJVERSA-N 0 3 365.477 3.141 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000245573112 497463144 /nfs/dbraw/zinc/46/31/44/497463144.db2.gz YSPCZBBSBYQAFF-DOADOZAASA-N 0 3 357.498 3.051 20 30 FGEDHN CO[C@@H](C)c1nc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000271844116 497467626 /nfs/dbraw/zinc/46/76/26/497467626.db2.gz HJGKJJKVLUHVNE-HNNXBMFYSA-N 0 3 370.522 3.476 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000193847463 497500197 /nfs/dbraw/zinc/50/01/97/497500197.db2.gz HIVSBSABTCNPAE-INIZCTEOSA-N 0 3 352.413 3.341 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000190530142 497518081 /nfs/dbraw/zinc/51/80/81/497518081.db2.gz AQOVQQYQIWUVQE-UHFFFAOYSA-N 0 3 374.441 3.026 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(OCC#N)c1 ZINC000272034780 497518660 /nfs/dbraw/zinc/51/86/60/497518660.db2.gz XEXDTBWRDMPRNY-MRXNPFEDSA-N 0 3 352.438 3.231 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)CC1 ZINC000194046083 497557308 /nfs/dbraw/zinc/55/73/08/497557308.db2.gz OCVDNEPATILPIQ-JOCHJYFZSA-N 0 3 372.472 3.114 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)CC1 ZINC000194046083 497557312 /nfs/dbraw/zinc/55/73/12/497557312.db2.gz OCVDNEPATILPIQ-JOCHJYFZSA-N 0 3 372.472 3.114 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245926015 497573870 /nfs/dbraw/zinc/57/38/70/497573870.db2.gz XNMAJJVJCOHZEI-PXNSSMCTSA-N 0 3 351.494 3.463 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)c1 ZINC000575085733 505917080 /nfs/dbraw/zinc/91/70/80/505917080.db2.gz HHENZXKGMBWWDK-KSZLIROESA-N 0 3 352.438 3.124 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)c1 ZINC000575085734 505917113 /nfs/dbraw/zinc/91/71/13/505917113.db2.gz HHENZXKGMBWWDK-KURKYZTESA-N 0 3 352.438 3.124 20 30 FGEDHN Cc1cccc([C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C(C)(C)C)c1 ZINC000575090396 505918608 /nfs/dbraw/zinc/91/86/08/505918608.db2.gz YFBNGJQGTFUTDF-LJQANCHMSA-N 0 3 371.506 3.412 20 30 FGEDHN N#Cc1csc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000267863573 497630220 /nfs/dbraw/zinc/63/02/20/497630220.db2.gz HZUBQPOUJXSBND-UHFFFAOYSA-N 0 3 373.453 3.032 20 30 FGEDHN Cc1ccc(N2CCC[C@@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000280304376 497713225 /nfs/dbraw/zinc/71/32/25/497713225.db2.gz FUAGUSLSUOBHLB-NHCUHLMSSA-N 0 3 372.472 3.334 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]2C[C@H](C)O)c1 ZINC000246618470 497790150 /nfs/dbraw/zinc/79/01/50/497790150.db2.gz IFTJFHDQFQQUNO-GBESFXJTSA-N 0 3 357.498 3.174 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@]2(C)CCO[C@H]2C2CC2)C1 ZINC000329572000 497832911 /nfs/dbraw/zinc/83/29/11/497832911.db2.gz QYOCNJDHVPGXOU-PXDUREFJSA-N 0 3 357.498 3.283 20 30 FGEDHN Cc1ccc(NC(=O)NC(=O)CN2C[C@H]3CCCCN3C[C@@H]2C)c(C)c1 ZINC000329663131 497860415 /nfs/dbraw/zinc/86/04/15/497860415.db2.gz PTAAZXBYKLOLJU-DLBZAZTESA-N 0 3 358.486 3.364 20 30 FGEDHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3C[C@]34CCOC4)c2)CC1 ZINC000329667027 497861676 /nfs/dbraw/zinc/86/16/76/497861676.db2.gz QLJIFSQCZRSBMJ-XLIONFOSSA-N 0 3 357.454 3.448 20 30 FGEDHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)N[C@H]3CCN(C4CC4)C3)ccc2NC1=O ZINC000329778734 497898459 /nfs/dbraw/zinc/89/84/59/497898459.db2.gz QKGKHAMIHXQSBR-JDFRZJQESA-N 0 3 372.469 3.247 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000329804674 497907830 /nfs/dbraw/zinc/90/78/30/497907830.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 0 3 367.497 3.024 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000329804674 497907835 /nfs/dbraw/zinc/90/78/35/497907835.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 0 3 367.497 3.024 20 30 FGEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000285071111 497986718 /nfs/dbraw/zinc/98/67/18/497986718.db2.gz KCOHLAOYYQZHEP-SJLPKXTDSA-N 0 3 366.461 3.255 20 30 FGEDHN CC(C(=O)N[C@@H](c1cccs1)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000330058758 498007286 /nfs/dbraw/zinc/00/72/86/498007286.db2.gz ZLFKIPAOJAYXLJ-IAQYHMDHSA-N 0 3 357.497 3.138 20 30 FGEDHN CC(C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000330077289 498011627 /nfs/dbraw/zinc/01/16/27/498011627.db2.gz MWTIMKLXDZLNPU-ZTFGCOKTSA-N 0 3 365.495 3.262 20 30 FGEDHN C[C@H]1CCCCCN1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000330191242 498056030 /nfs/dbraw/zinc/05/60/30/498056030.db2.gz WWQJTJXETHEDRV-KRWDZBQOSA-N 0 3 359.514 3.322 20 30 FGEDHN Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000301367568 498077296 /nfs/dbraw/zinc/07/72/96/498077296.db2.gz OHGCKMLCLBPWCM-LJQANCHMSA-N 0 3 369.488 3.238 20 30 FGEDHN CC[C@](C)(C#N)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000285479272 498101035 /nfs/dbraw/zinc/10/10/35/498101035.db2.gz LKMIKPUPPXZFGG-LJQANCHMSA-N 0 3 363.889 3.239 20 30 FGEDHN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000330335220 498109656 /nfs/dbraw/zinc/10/96/56/498109656.db2.gz RJIBZVJIBKSLBX-KFKAGJAMSA-N 0 3 360.502 3.344 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2c(F)ccc(C)c2Br)CC1 ZINC000281369997 498125234 /nfs/dbraw/zinc/12/52/34/498125234.db2.gz ZXZFZGDYHRLPJJ-UHFFFAOYSA-N 0 3 353.235 3.180 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1C(F)F ZINC000330502459 498143281 /nfs/dbraw/zinc/14/32/81/498143281.db2.gz WWUMXSMDRJRHRO-STQMWFEESA-N 0 3 357.449 3.437 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000285656304 498161776 /nfs/dbraw/zinc/16/17/76/498161776.db2.gz XLPCSPVJPGNIQW-JBPLPALLSA-N 0 3 365.477 3.173 20 30 FGEDHN C=CCOCCN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000292874372 498179884 /nfs/dbraw/zinc/17/98/84/498179884.db2.gz SSRIIVJUEQOFRP-ZDUSSCGKSA-N 0 3 354.376 3.130 20 30 FGEDHN C=C(C)CN1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000289541312 498187304 /nfs/dbraw/zinc/18/73/04/498187304.db2.gz PFMMMZZEUSWFCX-UHFFFAOYSA-N 0 3 363.303 3.227 20 30 FGEDHN O[C@@H](CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(F)F ZINC000572538410 505993425 /nfs/dbraw/zinc/99/34/25/505993425.db2.gz IABQIQPYBXOIDL-ONGXEEELSA-N 0 3 367.236 3.274 20 30 FGEDHN N#Cc1cccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000285832699 498213561 /nfs/dbraw/zinc/21/35/61/498213561.db2.gz HGWQOIXRBMWSDI-QHAWAJNXSA-N 0 3 361.445 3.001 20 30 FGEDHN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC2CC2)CC1 ZINC000575763747 505999724 /nfs/dbraw/zinc/99/97/24/505999724.db2.gz AZCNMYBUUHFVSZ-UHFFFAOYSA-N 0 3 362.481 3.144 20 30 FGEDHN C[C@@H](CC(=O)c1cccs1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281659573 498228493 /nfs/dbraw/zinc/22/84/93/498228493.db2.gz SHSMVJJZWNHFHV-XJKSGUPXSA-N 0 3 351.431 3.080 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000281673755 498232685 /nfs/dbraw/zinc/23/26/85/498232685.db2.gz UAEVDGWHYCJGSJ-SFHVURJKSA-N 0 3 359.429 3.141 20 30 FGEDHN CCNC(=O)N(C)c1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000331178026 498269018 /nfs/dbraw/zinc/26/90/18/498269018.db2.gz GBHKFSPQOMNCGM-WMLDXEAASA-N 0 3 361.490 3.017 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)cc1)c1cccc(C#N)n1 ZINC000301815855 498277421 /nfs/dbraw/zinc/27/74/21/498277421.db2.gz DGUCRFYRHBWOLZ-UHFFFAOYSA-N 0 3 359.271 3.284 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1C#N ZINC000282006136 498353479 /nfs/dbraw/zinc/35/34/79/498353479.db2.gz JEIRVVWIHAHVAQ-KRWDZBQOSA-N 0 3 350.466 3.479 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572650658 506020846 /nfs/dbraw/zinc/02/08/46/506020846.db2.gz PZFWSFULDODXRQ-PKOBYXMFSA-N 0 3 365.880 3.015 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000331523588 498359220 /nfs/dbraw/zinc/35/92/20/498359220.db2.gz JXHUGXOEFRNJPO-KPFFTGBYSA-N 0 3 355.482 3.047 20 30 FGEDHN CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000282028406 498362715 /nfs/dbraw/zinc/36/27/15/498362715.db2.gz SVJJYNDCOUOTJL-QLOJAFMTSA-N 0 3 354.498 3.232 20 30 FGEDHN CCN1CCC[C@@H](CN(C)CC#Cc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000365239359 498368235 /nfs/dbraw/zinc/36/82/35/498368235.db2.gz DQIOHSNVAFPERT-RBBKRZOGSA-N 0 3 350.510 3.177 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000365241902 498369329 /nfs/dbraw/zinc/36/93/29/498369329.db2.gz SRGZHFSHFCGOAY-LJQANCHMSA-N 0 3 363.465 3.295 20 30 FGEDHN CCCN(CCCC1(C#N)CCOCC1)CC(=O)Nc1ccccc1OC ZINC000282057389 498373290 /nfs/dbraw/zinc/37/32/90/498373290.db2.gz RXEIRUFXYDGWSM-UHFFFAOYSA-N 0 3 373.497 3.446 20 30 FGEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000575901682 506030157 /nfs/dbraw/zinc/03/01/57/506030157.db2.gz UWGKNDKJMMRDDF-GOSISDBHSA-N 0 3 371.506 3.073 20 30 FGEDHN CN1CCN(C[C@H]2CCCN(c3ccc(C#N)c(C(F)(F)F)c3)C2)CC1 ZINC000361812458 498434883 /nfs/dbraw/zinc/43/48/83/498434883.db2.gz GDGYARJADSBRGD-OAHLLOKOSA-N 0 3 366.431 3.041 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000361829225 498436099 /nfs/dbraw/zinc/43/60/99/498436099.db2.gz GLIPMVXTXPZZCJ-INIZCTEOSA-N 0 3 351.410 3.186 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000290142144 498439827 /nfs/dbraw/zinc/43/98/27/498439827.db2.gz MTYPJYZWONUVBF-PXNSSMCTSA-N 0 3 354.494 3.259 20 30 FGEDHN Cc1cc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c(C#N)cc1N(C)C ZINC000578848302 506035622 /nfs/dbraw/zinc/03/56/22/506035622.db2.gz FZADCUHEGPNBCF-OAHLLOKOSA-N 0 3 369.513 3.271 20 30 FGEDHN N#Cc1ccc(CN(CCCOc2ccccc2)C2CCOCC2)nc1 ZINC000575932709 506035629 /nfs/dbraw/zinc/03/56/29/506035629.db2.gz RQQMPPGAQRAPCX-UHFFFAOYSA-N 0 3 351.450 3.403 20 30 FGEDHN C[C@H](N[C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccc(C#N)s1 ZINC000362037511 498457743 /nfs/dbraw/zinc/45/77/43/498457743.db2.gz IXPCIXDRFWVWOJ-UONOGXRCSA-N 0 3 354.479 3.038 20 30 FGEDHN CC(C)[C@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331856558 498477139 /nfs/dbraw/zinc/47/71/39/498477139.db2.gz APUHWNUHKVEWLH-QGZVFWFLSA-N 0 3 374.554 3.099 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000286722360 498489039 /nfs/dbraw/zinc/48/90/39/498489039.db2.gz HMIMKBYOPJCUIP-LJQANCHMSA-N 0 3 355.438 3.280 20 30 FGEDHN CO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1 ZINC000282419171 498503936 /nfs/dbraw/zinc/50/39/36/498503936.db2.gz QROAGBXYSSFXHE-ZIAGYGMSSA-N 0 3 361.511 3.326 20 30 FGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000569914027 506045746 /nfs/dbraw/zinc/04/57/46/506045746.db2.gz BQSSKPRLXXDUFB-NEPJUHHUSA-N 0 3 365.326 3.462 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000302650790 498523362 /nfs/dbraw/zinc/52/33/62/498523362.db2.gz JXGBLKKKJJFMQF-HNNXBMFYSA-N 0 3 369.488 3.240 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282494189 498534023 /nfs/dbraw/zinc/53/40/23/498534023.db2.gz QEDBUDDPWHMTTQ-ACDBMABISA-N 0 3 350.466 3.053 20 30 FGEDHN C[C@@H]1[C@H](N2CCCC2)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000286893750 498544400 /nfs/dbraw/zinc/54/44/00/498544400.db2.gz LGYHKOMNNLBLON-YLJYHZDGSA-N 0 3 364.493 3.296 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000569962629 506056958 /nfs/dbraw/zinc/05/69/58/506056958.db2.gz BEWDPIOBZKJYEM-MRXNPFEDSA-N 0 3 365.452 3.366 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000287238157 498685073 /nfs/dbraw/zinc/68/50/73/498685073.db2.gz YPRMZHPWFMVKHW-GJZGRUSLSA-N 0 3 357.903 3.293 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C[C@H](O)CN(C)C1CC1 ZINC000572890278 506076592 /nfs/dbraw/zinc/07/65/92/506076592.db2.gz XKLGZVCRXSSICI-MRXNPFEDSA-N 0 3 371.294 3.031 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000287354130 498727441 /nfs/dbraw/zinc/72/74/41/498727441.db2.gz MTBPAOMEFDYMPS-OXQOHEQNSA-N 0 3 366.465 3.080 20 30 FGEDHN N#CCCN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000291059837 498777304 /nfs/dbraw/zinc/77/73/04/498777304.db2.gz CYTHELILXJNUMM-HBMCJLEFSA-N 0 3 369.509 3.339 20 30 FGEDHN C=CCN1CCC(NCc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000291068605 498781677 /nfs/dbraw/zinc/78/16/77/498781677.db2.gz DUJGDCDXGJFQIX-UHFFFAOYSA-N 0 3 354.853 3.265 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nccn2-c2ccccc2)CC1 ZINC000287514503 498782609 /nfs/dbraw/zinc/78/26/09/498782609.db2.gz VCBBZCFLFUVFMD-KRWDZBQOSA-N 0 3 367.497 3.273 20 30 FGEDHN CCn1nccc1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000366128732 498788612 /nfs/dbraw/zinc/78/86/12/498788612.db2.gz XKRLTLPJEOSKOR-UHFFFAOYSA-N 0 3 357.483 3.044 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000576165547 506092043 /nfs/dbraw/zinc/09/20/43/506092043.db2.gz KIJGCLMIIKDXEL-CGTJXYLNSA-N 0 3 350.890 3.083 20 30 FGEDHN CN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCN(c2ccncc2)CC1 ZINC000363413108 498806940 /nfs/dbraw/zinc/80/69/40/498806940.db2.gz YGEQQKIOLGIWCJ-UHFFFAOYSA-N 0 3 353.401 3.225 20 30 FGEDHN C=CCN1CC[C@@H](N[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1=O ZINC000576196946 506098872 /nfs/dbraw/zinc/09/88/72/506098872.db2.gz OIDCTNYHVJLYPQ-NHCUHLMSSA-N 0 3 350.462 3.356 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccccc1C(F)(F)F ZINC000327661163 498861963 /nfs/dbraw/zinc/86/19/63/498861963.db2.gz YMKDYJDMXOBZSM-HNNXBMFYSA-N 0 3 350.340 3.107 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2cc(C#N)cs2)[C@@H]1c1cnn(C)c1 ZINC000328634308 498883086 /nfs/dbraw/zinc/88/30/86/498883086.db2.gz MOCJRIRSXUNRAX-QFBILLFUSA-N 0 3 357.527 3.258 20 30 FGEDHN COc1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1OCCCC#N ZINC000295022286 498883982 /nfs/dbraw/zinc/88/39/82/498883982.db2.gz NHMSDOXCJPWOHG-UHFFFAOYSA-N 0 3 373.497 3.258 20 30 FGEDHN Cc1cc(C=C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)no1 ZINC000366345530 498884324 /nfs/dbraw/zinc/88/43/24/498884324.db2.gz XZFRUROYGRWCHD-LJQANCHMSA-N 0 3 360.417 3.243 20 30 FGEDHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000328675052 498898532 /nfs/dbraw/zinc/89/85/32/498898532.db2.gz KJDGEEVNTXDJQE-ZFWWWQNUSA-N 0 3 358.442 3.388 20 30 FGEDHN Cc1nc2cccc(C(=O)N[C@H](C)C3(N4CCOCC4)CCCC3)c2[nH]1 ZINC000328684548 498901080 /nfs/dbraw/zinc/90/10/80/498901080.db2.gz FCOVDSULOWMNDG-CQSZACIVSA-N 0 3 356.470 3.209 20 30 FGEDHN C=CCCCCCCNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000287938451 498907905 /nfs/dbraw/zinc/90/79/05/498907905.db2.gz FOMQOWXYYGAERI-UHFFFAOYSA-N 0 3 361.534 3.125 20 30 FGEDHN CCn1cc(Br)c(=O)c(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000328742202 498923257 /nfs/dbraw/zinc/92/32/57/498923257.db2.gz JJLUQYSGSHWZRX-UHFFFAOYSA-N 0 3 368.275 3.093 20 30 FGEDHN CCc1nc(CN2CCC[C@@H](N(C)[C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000363685095 498944806 /nfs/dbraw/zinc/94/48/06/498944806.db2.gz DHEZWDNGTRWGPO-CRAIPNDOSA-N 0 3 353.470 3.161 20 30 FGEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(Br)cc1C#N ZINC000295283836 498966069 /nfs/dbraw/zinc/96/60/69/498966069.db2.gz IRDZUAIIGDHHAV-SWLSCSKDSA-N 0 3 362.271 3.020 20 30 FGEDHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000328923651 498987809 /nfs/dbraw/zinc/98/78/09/498987809.db2.gz NFPFIEIUGPTZJM-PNHOKKKMSA-N 0 3 354.498 3.270 20 30 FGEDHN Cn1cc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2ccc(C(C)(C)C)cc2)cn1 ZINC000283851066 498999760 /nfs/dbraw/zinc/99/97/60/498999760.db2.gz CAAOLEDURXKVHD-UHFFFAOYSA-O 0 3 371.530 3.086 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)CO2 ZINC000329020481 499017352 /nfs/dbraw/zinc/01/73/52/499017352.db2.gz LVFXGUXJKGUORD-DFQSSKMNSA-N 0 3 366.461 3.301 20 30 FGEDHN CN1CCC2(CCCN2C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CC1 ZINC000329055559 499027700 /nfs/dbraw/zinc/02/77/00/499027700.db2.gz IAXZHCXHDXQBGQ-UHFFFAOYSA-N 0 3 374.460 3.058 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cnn(C)c1 ZINC000299337138 499029047 /nfs/dbraw/zinc/02/90/47/499029047.db2.gz OPLOVFVJAHBLMC-OLZOCXBDSA-N 0 3 371.510 3.157 20 30 FGEDHN NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)CC2 ZINC000329107369 499043229 /nfs/dbraw/zinc/04/32/29/499043229.db2.gz DVKANRSZTRSRII-PBHICJAKSA-N 0 3 373.501 3.082 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000329124387 499049325 /nfs/dbraw/zinc/04/93/25/499049325.db2.gz SFPLBIWADGFGKW-VYDXJSESSA-N 0 3 367.559 3.155 20 30 FGEDHN CC(C)Cc1nc(C(=O)NCC2(N3CCCC3)CCOCC2)cs1 ZINC000329129211 499051063 /nfs/dbraw/zinc/05/10/63/499051063.db2.gz ZYWKORNFPIEPNB-UHFFFAOYSA-N 0 3 351.516 3.291 20 30 FGEDHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000329209468 499072569 /nfs/dbraw/zinc/07/25/69/499072569.db2.gz YKRVEAUWRPLSBE-ZYSHUDEJSA-N 0 3 360.502 3.251 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000366792501 499076202 /nfs/dbraw/zinc/07/62/02/499076202.db2.gz RVSIZDZFTAKVEI-WOJBJXKFSA-N 0 3 357.498 3.128 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000329229161 499078057 /nfs/dbraw/zinc/07/80/57/499078057.db2.gz JDOCWEADKWEPKX-OAHLLOKOSA-N 0 3 373.501 3.054 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000329250253 499083689 /nfs/dbraw/zinc/08/36/89/499083689.db2.gz UEXJURLELQAOEG-HNAYVOBHSA-N 0 3 373.497 3.256 20 30 FGEDHN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000329258815 499085335 /nfs/dbraw/zinc/08/53/35/499085335.db2.gz DKPUUADVVKQSBY-WMZOPIPTSA-N 0 3 362.518 3.030 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000364048539 499099828 /nfs/dbraw/zinc/09/98/28/499099828.db2.gz VJIRFQUGLJJPRW-UHFFFAOYSA-N 0 3 352.438 3.467 20 30 FGEDHN CN1CC[C@H](CNC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000366870782 499101113 /nfs/dbraw/zinc/10/11/13/499101113.db2.gz QXHDERICLIFEGB-IEBWSBKVSA-N 0 3 368.506 3.154 20 30 FGEDHN CN1CC[C@H](CNC(=O)NCCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000366870783 499101187 /nfs/dbraw/zinc/10/11/87/499101187.db2.gz QXHDERICLIFEGB-MJGOQNOKSA-N 0 3 368.506 3.154 20 30 FGEDHN CN1CC[C@@H](CNC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000366870784 499101206 /nfs/dbraw/zinc/10/12/06/499101206.db2.gz QXHDERICLIFEGB-PKOBYXMFSA-N 0 3 368.506 3.154 20 30 FGEDHN O=C(COc1cccc(NC(=O)C2CC2)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000329331317 499101441 /nfs/dbraw/zinc/10/14/41/499101441.db2.gz WCVYHGVHNZYKMB-SFHVURJKSA-N 0 3 371.481 3.150 20 30 FGEDHN Cc1c(C(=O)NC[C@@H]2CCN(C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000329378434 499111516 /nfs/dbraw/zinc/11/15/16/499111516.db2.gz MOWKMRNXMHQNHQ-ZDUSSCGKSA-N 0 3 359.861 3.018 20 30 FGEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000329419585 499118349 /nfs/dbraw/zinc/11/83/49/499118349.db2.gz GZVXZTRNYGWDBN-FCGDIQPGSA-N 0 3 368.481 3.035 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(F)(c3cccnc3)CC2)CC1 ZINC000367416335 499196452 /nfs/dbraw/zinc/19/64/52/499196452.db2.gz UZMDANWOXPTBTP-UHFFFAOYSA-N 0 3 360.477 3.092 20 30 FGEDHN C[C@@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000367430554 499198174 /nfs/dbraw/zinc/19/81/74/499198174.db2.gz KLFFQOLUZCAZTJ-XLIONFOSSA-N 0 3 363.461 3.083 20 30 FGEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000367434346 499198572 /nfs/dbraw/zinc/19/85/72/499198572.db2.gz GRPCHGXQFUXVPN-QFIPXVFZSA-N 0 3 361.489 3.044 20 30 FGEDHN C=CCOc1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1OC ZINC000368157479 499270031 /nfs/dbraw/zinc/27/00/31/499270031.db2.gz DQJVRZSYTNBXAQ-SFHVURJKSA-N 0 3 361.482 3.278 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000368172177 499271132 /nfs/dbraw/zinc/27/11/32/499271132.db2.gz ZJZHKSUNTGCKQZ-NFBKMPQASA-N 0 3 371.440 3.237 20 30 FGEDHN C[C@H](O)c1cnc(CNCC2CCN(c3ccccc3C#N)CC2)s1 ZINC000368290502 499282337 /nfs/dbraw/zinc/28/23/37/499282337.db2.gz GONAXATUOFWYIU-AWEZNQCLSA-N 0 3 356.495 3.074 20 30 FGEDHN CCO[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2Cl)C12CCOCC2 ZINC000368463672 499298398 /nfs/dbraw/zinc/29/83/98/499298398.db2.gz WUPDXMCFFJDBGH-CVEARBPZSA-N 0 3 352.837 3.415 20 30 FGEDHN N#CCCN(C(=O)CN1CCCC12CCOCC2)c1cccc(Cl)c1 ZINC000371334219 499312258 /nfs/dbraw/zinc/31/22/58/499312258.db2.gz DMIMSQKCLVQFDT-UHFFFAOYSA-N 0 3 361.873 3.232 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](Cc3nnc4ccccn43)C2)cc1C#N ZINC000368655342 499317900 /nfs/dbraw/zinc/31/79/00/499317900.db2.gz JXDJYVQWTNNDOO-INIZCTEOSA-N 0 3 361.449 3.064 20 30 FGEDHN Cn1cc(CN2CCC[C@@H](OCC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000368800895 499334030 /nfs/dbraw/zinc/33/40/30/499334030.db2.gz SZPJPIUGHYLMSV-HXUWFJFHSA-N 0 3 350.466 3.350 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000371597081 499346047 /nfs/dbraw/zinc/34/60/47/499346047.db2.gz NBMQLQKZCQHNSG-HXUWFJFHSA-N 0 3 368.456 3.260 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC([C@H]3CCOC3)CC1)CCC2 ZINC000371749290 499361062 /nfs/dbraw/zinc/36/10/62/499361062.db2.gz YRKUQQQCAPDUKE-HNNXBMFYSA-N 0 3 373.522 3.186 20 30 FGEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000371870894 499373838 /nfs/dbraw/zinc/37/38/38/499373838.db2.gz VAPYXBIFMGLSRF-PMACEKPBSA-N 0 3 374.529 3.381 20 30 FGEDHN Cc1cc(C)c2c(c1)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCO2 ZINC000369300168 499389131 /nfs/dbraw/zinc/38/91/31/499389131.db2.gz YWCQCLWWWKGHIT-AZUAARDMSA-N 0 3 359.429 3.497 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000369305170 499389572 /nfs/dbraw/zinc/38/95/72/499389572.db2.gz JUGJLKDWSMFBHJ-RDTXWAMCSA-N 0 3 371.400 3.168 20 30 FGEDHN C#CC[C@@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000372080539 499396641 /nfs/dbraw/zinc/39/66/41/499396641.db2.gz PZJCFJLWLKEXOI-APWZRJJASA-N 0 3 365.481 3.172 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@@H]3CCC[C@@H]31)CCCC2 ZINC000369468721 499405855 /nfs/dbraw/zinc/40/58/55/499405855.db2.gz JWCGRJOYXXGQFP-DLBZAZTESA-N 0 3 373.522 3.471 20 30 FGEDHN CN1CC[C@@H](CNC(=O)/C=C/c2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000369568818 499419931 /nfs/dbraw/zinc/41/99/31/499419931.db2.gz MLAOXUXJEIKEMQ-LXJMMZIJSA-N 0 3 351.475 3.442 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2CCC[C@H]2N2CCOCC2)cc1 ZINC000373188268 499456252 /nfs/dbraw/zinc/45/62/52/499456252.db2.gz SRMJAAIQJFLWEN-SESVDKBCSA-N 0 3 357.498 3.131 20 30 FGEDHN N#CCc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373414521 499468354 /nfs/dbraw/zinc/46/83/54/499468354.db2.gz AOFSPNKCKVFUJD-UHFFFAOYSA-N 0 3 365.399 3.288 20 30 FGEDHN Cc1csc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000373460021 499471052 /nfs/dbraw/zinc/47/10/52/499471052.db2.gz NLDKOEIFSMBVDM-GOSISDBHSA-N 0 3 364.474 3.412 20 30 FGEDHN Cc1cc(CN2CCC(n3cnc(C#N)n3)CC2)ccc1Oc1cccnc1 ZINC000373481107 499472480 /nfs/dbraw/zinc/47/24/80/499472480.db2.gz PBZKHXCFHHIHNS-UHFFFAOYSA-N 0 3 374.448 3.483 20 30 FGEDHN COc1ccc(CNC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1C#N ZINC000373487576 499472948 /nfs/dbraw/zinc/47/29/48/499472948.db2.gz WMQWFWIAJCMSDY-UHFFFAOYSA-N 0 3 367.415 3.462 20 30 FGEDHN COc1ccc(-c2ccncc2)cc1CN1CCC(n2cnc(C#N)n2)CC1 ZINC000373491760 499472996 /nfs/dbraw/zinc/47/29/96/499472996.db2.gz XYIGYDBAUPHBOB-UHFFFAOYSA-N 0 3 374.448 3.057 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000373503856 499473724 /nfs/dbraw/zinc/47/37/24/499473724.db2.gz UBBSPQYEHIJJMI-UXPWSPDFSA-N 0 3 369.509 3.107 20 30 FGEDHN COc1ccc(CN[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)cc1C#N ZINC000378428199 499515807 /nfs/dbraw/zinc/51/58/07/499515807.db2.gz RKCPCVMLKPUIOK-BEFAXECRSA-N 0 3 355.463 3.080 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000375447499 499520139 /nfs/dbraw/zinc/52/01/39/499520139.db2.gz HXBGFTZIHWRRND-STQYRHOTSA-N 0 3 355.482 3.291 20 30 FGEDHN Cn1cc(CNC[C@H]2OCCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000378485070 499523012 /nfs/dbraw/zinc/52/30/12/499523012.db2.gz YUXVDFKWROOTAF-OAQYLSRUSA-N 0 3 358.445 3.362 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]21 ZINC000375519090 499528132 /nfs/dbraw/zinc/52/81/32/499528132.db2.gz IDWDSVYBDSBMHK-JXFKEZNVSA-N 0 3 350.466 3.111 20 30 FGEDHN CC(C)N1CCN(CCCN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000375594676 499536093 /nfs/dbraw/zinc/53/60/93/499536093.db2.gz BPZUMNFEABHFPK-FCHUYYIVSA-N 0 3 354.542 3.174 20 30 FGEDHN COc1cc(CN[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1C#N ZINC000375621226 499538411 /nfs/dbraw/zinc/53/84/11/499538411.db2.gz QGGFMBDTVVDRLB-FQEVSTJZSA-N 0 3 367.424 3.289 20 30 FGEDHN Cc1ccncc1C1=CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000375644969 499540950 /nfs/dbraw/zinc/54/09/50/499540950.db2.gz ZVUXEMDWZYTDQA-FQEVSTJZSA-N 0 3 356.429 3.260 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000383090763 499546795 /nfs/dbraw/zinc/54/67/95/499546795.db2.gz RXRFGNFMTHVIDO-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN N#Cc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000391041410 499556622 /nfs/dbraw/zinc/55/66/22/499556622.db2.gz CEKVOBFTYRSJFK-LJQANCHMSA-N 0 3 366.421 3.169 20 30 FGEDHN C[C@]1(CNc2ncc([N+](=O)[O-])cc2C#N)CCCN1Cc1ccccc1 ZINC000397897318 499565090 /nfs/dbraw/zinc/56/50/90/499565090.db2.gz VKVRWKWZERKJIP-LJQANCHMSA-N 0 3 351.410 3.328 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)COc1ccccc1C#N ZINC000398187753 499567217 /nfs/dbraw/zinc/56/72/17/499567217.db2.gz VSXKRBCNUYCPPX-FQEVSTJZSA-N 0 3 365.477 3.210 20 30 FGEDHN N#Cc1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1F ZINC000404133112 499569717 /nfs/dbraw/zinc/56/97/17/499569717.db2.gz DUOZYJVGZQEFHV-VXKWHMMOSA-N 0 3 365.452 3.173 20 30 FGEDHN N#Cc1c(F)cccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404146349 499569794 /nfs/dbraw/zinc/56/97/94/499569794.db2.gz LOBDIUTWIBIBDQ-LEWJYISDSA-N 0 3 351.425 3.177 20 30 FGEDHN N#Cc1ccc(F)c(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000404219366 499570164 /nfs/dbraw/zinc/57/01/64/499570164.db2.gz YYERGTSLILBJLI-VXKWHMMOSA-N 0 3 365.452 3.173 20 30 FGEDHN C=CCN(C(=O)N[C@@H]1CCC[C@H]1CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376233050 499593268 /nfs/dbraw/zinc/59/32/68/499593268.db2.gz RLHLUNHISRVRMS-PWRODBHTSA-N 0 3 371.525 3.010 20 30 FGEDHN C=CCN1CC[C@H](N(Cc2ccc(Br)cc2)C(C)C)C1=O ZINC000410342837 499656386 /nfs/dbraw/zinc/65/63/86/499656386.db2.gz OKYVWXAOHWEWGB-INIZCTEOSA-N 0 3 351.288 3.446 20 30 FGEDHN C=CCN1CC[C@@H](N(CCC)[C@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000410347522 499656526 /nfs/dbraw/zinc/65/65/26/499656526.db2.gz OSJLVMWVLIEGQZ-LEWJYISDSA-N 0 3 355.526 3.150 20 30 FGEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000377434625 499690274 /nfs/dbraw/zinc/69/02/74/499690274.db2.gz GQZRTLPWVQTEFG-LJQANCHMSA-N 0 3 359.429 3.440 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](n3ccnc3C(C)C)C2)CC1 ZINC000377775976 499731932 /nfs/dbraw/zinc/73/19/32/499731932.db2.gz FMOZATBKIJNNDS-SFHVURJKSA-N 0 3 359.518 3.003 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000411429908 499739454 /nfs/dbraw/zinc/73/94/54/499739454.db2.gz NIOLJTKHHKZQGE-ILXRZTDVSA-N 0 3 374.554 3.098 20 30 FGEDHN COc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414143106 499764015 /nfs/dbraw/zinc/76/40/15/499764015.db2.gz SFJSATFRJBLMMV-KKSFZXQISA-N 0 3 363.461 3.327 20 30 FGEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411647559 499772711 /nfs/dbraw/zinc/77/27/11/499772711.db2.gz YIKBXQPVNCSGDI-FQEVSTJZSA-N 0 3 351.450 3.236 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2 ZINC000582210843 506158997 /nfs/dbraw/zinc/15/89/97/506158997.db2.gz LHEXQYIOPWNQEC-IFMALSPDSA-N 0 3 359.473 3.369 20 30 FGEDHN Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)ccc1C#N ZINC000412006749 499812132 /nfs/dbraw/zinc/81/21/32/499812132.db2.gz CZKQBYMJMSGYTG-NRFANRHFSA-N 0 3 350.462 3.487 20 30 FGEDHN COc1ccc(CN2CCC(CNc3ncc(C#N)cc3F)CC2)cc1 ZINC000413102675 499914050 /nfs/dbraw/zinc/91/40/50/499914050.db2.gz VQPMKBUGCGRHBI-UHFFFAOYSA-N 0 3 354.429 3.425 20 30 FGEDHN Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C#N)cc1[N+](=O)[O-] ZINC000413247731 499931972 /nfs/dbraw/zinc/93/19/72/499931972.db2.gz VWVBSYNIYRWVRY-JXFKEZNVSA-N 0 3 365.437 3.299 20 30 FGEDHN C[C@@H]1CN(c2cccc(F)c2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000429260307 500035980 /nfs/dbraw/zinc/03/59/80/500035980.db2.gz BCHXADSOYZHRCM-MRXNPFEDSA-N 0 3 366.440 3.237 20 30 FGEDHN CSC[C@@H]1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000429277678 500040701 /nfs/dbraw/zinc/04/07/01/500040701.db2.gz VXPOJVMODIQUGT-DHADLLTHSA-N 0 3 351.560 3.381 20 30 FGEDHN CCC1(CC)[C@H](NCC(=O)N(CCC#N)c2ccccc2)[C@H](C)[C@@H]1OC ZINC000429296966 500046330 /nfs/dbraw/zinc/04/63/30/500046330.db2.gz UHBSWSXUFJGTGY-DBVUQKKJSA-N 0 3 357.498 3.363 20 30 FGEDHN C=CCc1ccc(OCC(=O)Nc2ccc3c(c2)CNCC3)c(OC)c1 ZINC000429329686 500053850 /nfs/dbraw/zinc/05/38/50/500053850.db2.gz OBBYULJYXCBKNJ-UHFFFAOYSA-N 0 3 352.434 3.087 20 30 FGEDHN N#Cc1ccc(Cn2cc(CNC3CCCCC3)nn2)c(Br)c1 ZINC000603243317 506465362 /nfs/dbraw/zinc/46/53/62/506465362.db2.gz KEUWHOPVNPYCMK-UHFFFAOYSA-N 0 3 374.286 3.383 20 30 FGEDHN CN(CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000416687250 500086812 /nfs/dbraw/zinc/08/68/12/500086812.db2.gz OUNTXEDUYIGMAN-OAQYLSRUSA-N 0 3 362.477 3.367 20 30 FGEDHN C[C@@H](C#N)CN(C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000429496465 500088203 /nfs/dbraw/zinc/08/82/03/500088203.db2.gz YBDOZFBNFBLHRI-LPHOPBHVSA-N 0 3 356.514 3.260 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413920571 500095498 /nfs/dbraw/zinc/09/54/98/500095498.db2.gz WBLHUIPNEAEGLR-CRAIPNDOSA-N 0 3 350.434 3.076 20 30 FGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000429716422 500129315 /nfs/dbraw/zinc/12/93/15/500129315.db2.gz AGFPGLLSYJURIU-CQSZACIVSA-N 0 3 368.319 3.216 20 30 FGEDHN CCOc1ccc(OC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425534750 500135748 /nfs/dbraw/zinc/13/57/48/500135748.db2.gz GOLDPQXGNATBLO-LPHOPBHVSA-N 0 3 354.450 3.390 20 30 FGEDHN COc1ccc(COC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425539295 500137966 /nfs/dbraw/zinc/13/79/66/500137966.db2.gz TZCGWYXHUKOUKH-OXQOHEQNSA-N 0 3 354.450 3.137 20 30 FGEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cc1c(F)cccc1C#N ZINC000425610731 500159853 /nfs/dbraw/zinc/15/98/53/500159853.db2.gz RQDGEILSILLODY-QGZVFWFLSA-N 0 3 351.425 3.149 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000430050435 500186253 /nfs/dbraw/zinc/18/62/53/500186253.db2.gz JTGHKBAKFWFOQU-UHFFFAOYSA-N 0 3 355.463 3.495 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000425853764 500205368 /nfs/dbraw/zinc/20/53/68/500205368.db2.gz JHBKOOODBXCDHD-HZEGPAAWSA-N 0 3 371.525 3.272 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000426366329 500264892 /nfs/dbraw/zinc/26/48/92/500264892.db2.gz QHBPRSKWXIIJSV-PMACEKPBSA-N 0 3 357.498 3.028 20 30 FGEDHN O=C(CN1CC[C@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426461819 500274958 /nfs/dbraw/zinc/27/49/58/500274958.db2.gz PNGAXBXJGSLVTG-WBVHZDCISA-N 0 3 350.384 3.048 20 30 FGEDHN Cc1cc(NC(=O)N(CCC#N)CCC(C)C)n(C2CCN(C)CC2)n1 ZINC000431117418 500337638 /nfs/dbraw/zinc/33/76/38/500337638.db2.gz IUUAMVQYYQRUKC-UHFFFAOYSA-N 0 3 360.506 3.252 20 30 FGEDHN CC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CC1(C)C ZINC000419319050 500352348 /nfs/dbraw/zinc/35/23/48/500352348.db2.gz ODRTVNJZKFRIAQ-DLBZAZTESA-N 0 3 351.454 3.097 20 30 FGEDHN C[C@@]1(CNC(=O)C(C#N)CCc2ccccc2)OCCc2sccc21 ZINC000427211441 500368460 /nfs/dbraw/zinc/36/84/60/500368460.db2.gz WRGMCOKBMREZTN-JXFKEZNVSA-N 0 3 354.475 3.425 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)nc(C)n1 ZINC000420237655 500427667 /nfs/dbraw/zinc/42/76/67/500427667.db2.gz JSCUYHXOPNXWGM-AWEZNQCLSA-N 0 3 354.366 3.279 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000573440904 506195163 /nfs/dbraw/zinc/19/51/63/506195163.db2.gz HKNQMFRDSLYPHQ-NXOUGTEYSA-N 0 3 373.478 3.025 20 30 FGEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000424107061 500453814 /nfs/dbraw/zinc/45/38/14/500453814.db2.gz YFDRSASPEFNDTO-KXBFYZLASA-N 0 3 364.449 3.137 20 30 FGEDHN C=CCN1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000427982139 500454245 /nfs/dbraw/zinc/45/42/45/500454245.db2.gz FQBIIFDPXCAQRC-UHFFFAOYSA-N 0 3 353.806 3.097 20 30 FGEDHN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424145150 500460026 /nfs/dbraw/zinc/46/00/26/500460026.db2.gz UIZUHRARBCZEBS-ABAIWWIYSA-N 0 3 360.458 3.456 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000424176989 500463973 /nfs/dbraw/zinc/46/39/73/500463973.db2.gz SRDCYNACRGYPGI-INIZCTEOSA-N 0 3 351.903 3.444 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000424181608 500465017 /nfs/dbraw/zinc/46/50/17/500465017.db2.gz CYRNEPIBRAJOSC-GOEBONIOSA-N 0 3 357.351 3.124 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000424190658 500465285 /nfs/dbraw/zinc/46/52/85/500465285.db2.gz QANNHFJRCMSBIW-SJLPKXTDSA-N 0 3 369.444 3.291 20 30 FGEDHN C[C@@]1(CNC(=O)CNc2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000428327735 500495954 /nfs/dbraw/zinc/49/59/54/500495954.db2.gz UUPGYCPTUXLENV-QFIPXVFZSA-N 0 3 362.477 3.141 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000420823278 500510030 /nfs/dbraw/zinc/51/00/30/500510030.db2.gz PIEJSOGSPCHLBG-MRXNPFEDSA-N 0 3 354.479 3.084 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(C#N)s1)C1CC1 ZINC000420831720 500511642 /nfs/dbraw/zinc/51/16/42/500511642.db2.gz JMWMIKHWLPWART-IBGZPJMESA-N 0 3 368.506 3.330 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccccc2Br)s1 ZINC000428538582 500522769 /nfs/dbraw/zinc/52/27/69/500522769.db2.gz QKIKIWPPVUMPFI-LBPRGKRZSA-N 0 3 365.296 3.323 20 30 FGEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000424621854 500529610 /nfs/dbraw/zinc/52/96/10/500529610.db2.gz BJTUORMJROEFPV-IBGZPJMESA-N 0 3 370.541 3.045 20 30 FGEDHN C=CCC1(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CCOCC1 ZINC000424765877 500559311 /nfs/dbraw/zinc/55/93/11/500559311.db2.gz DIHXXRNYJDPMQI-HXUWFJFHSA-N 0 3 356.510 3.386 20 30 FGEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432891403 500585655 /nfs/dbraw/zinc/58/56/55/500585655.db2.gz MDJCBORXKHTXIS-UHFFFAOYSA-N 0 3 356.514 3.208 20 30 FGEDHN CC[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C#N)cc1 ZINC000447601056 500632051 /nfs/dbraw/zinc/63/20/51/500632051.db2.gz NTUUTFAFBWSMMQ-FQEVSTJZSA-N 0 3 369.490 3.339 20 30 FGEDHN C=CCCCN[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000447793783 500662952 /nfs/dbraw/zinc/66/29/52/500662952.db2.gz FRISDRJKPMMJSH-HXUWFJFHSA-N 0 3 352.434 3.329 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1 ZINC000433319677 500671849 /nfs/dbraw/zinc/67/18/49/500671849.db2.gz PIPAFEIMWWXQHS-SFHVURJKSA-N 0 3 351.450 3.338 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000437638271 500673212 /nfs/dbraw/zinc/67/32/12/500673212.db2.gz WCCHDFUEJTUSBH-AABGKKOBSA-N 0 3 359.514 3.350 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000438013539 500728497 /nfs/dbraw/zinc/72/84/97/500728497.db2.gz PBGPUTBMAFXOKS-UXHICEINSA-N 0 3 359.514 3.049 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000438063451 500733065 /nfs/dbraw/zinc/73/30/65/500733065.db2.gz CDCPFNOSINRMSR-GIVPXCGWSA-N 0 3 371.525 3.274 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000438243937 500758396 /nfs/dbraw/zinc/75/83/96/500758396.db2.gz CEEYOEXYUSYDPD-WDSOQIARSA-N 0 3 359.514 3.396 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000438450812 500786932 /nfs/dbraw/zinc/78/69/32/500786932.db2.gz GKMYSKIWWIDECA-OALUTQOASA-N 0 3 351.535 3.121 20 30 FGEDHN COCCO[C@@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000438556049 500801093 /nfs/dbraw/zinc/80/10/93/500801093.db2.gz UWCYIURKXBAJLG-JOCHJYFZSA-N 0 3 366.461 3.375 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)(F)F)nc1 ZINC000448727157 500816088 /nfs/dbraw/zinc/81/60/88/500816088.db2.gz VXXAENBFAXAWQZ-UHFFFAOYSA-N 0 3 372.419 3.269 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1Br)N1CCC(C)CC1 ZINC000448810524 500841089 /nfs/dbraw/zinc/84/10/89/500841089.db2.gz IYYQUOHPTPXLGT-ZDUSSCGKSA-N 0 3 364.287 3.171 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000444638750 500871579 /nfs/dbraw/zinc/87/15/79/500871579.db2.gz LSNKBJLVQRWIAF-SFHVURJKSA-N 0 3 373.497 3.268 20 30 FGEDHN CCOCC[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000444640854 500872450 /nfs/dbraw/zinc/87/24/50/500872450.db2.gz QABGQNBMQJEIGV-NRFANRHFSA-N 0 3 356.441 3.487 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCSC(C)(C)CC2)c(OC)c1 ZINC000434685328 500879352 /nfs/dbraw/zinc/87/93/52/500879352.db2.gz NTWWWRWSXZETOP-QGZVFWFLSA-N 0 3 365.539 3.381 20 30 FGEDHN C=CC[C@H]1N(CC(=O)NCc2cccc(OCCOC)c2)CCCC1(C)C ZINC000444783123 500899653 /nfs/dbraw/zinc/89/96/53/500899653.db2.gz JUVWQFFXQBMZKO-HXUWFJFHSA-N 0 3 374.525 3.395 20 30 FGEDHN C=CC[C@H]1N(CC(=O)NCc2ccc(OC)c(OC)c2)CCCC1(C)C ZINC000444784262 500900471 /nfs/dbraw/zinc/90/04/71/500900471.db2.gz NDOSRZZDVXTWKA-LJQANCHMSA-N 0 3 360.498 3.387 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(-c2ccccc2)n1 ZINC000449550355 501030424 /nfs/dbraw/zinc/03/04/24/501030424.db2.gz CTGAQZIWIMSFIT-DYXWJJEUSA-N 0 3 364.493 3.447 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3cc(C(F)(F)F)n[nH]3)CC2)nc1 ZINC000440629469 501031244 /nfs/dbraw/zinc/03/12/44/501031244.db2.gz NBVCALBBHNLKQZ-UHFFFAOYSA-N 0 3 365.359 3.175 20 30 FGEDHN CN(C)[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1c(F)cccc1F ZINC000435927877 501047546 /nfs/dbraw/zinc/04/75/46/501047546.db2.gz NVFNRFIEBWUQEQ-QFBILLFUSA-N 0 3 371.431 3.456 20 30 FGEDHN N#Cc1ccnc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000436028136 501059464 /nfs/dbraw/zinc/05/94/64/501059464.db2.gz OBGFTOXVHAYUPV-SFHVURJKSA-N 0 3 374.366 3.346 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@]3(CCOC3)C2)c(-c2ccccc2)n1 ZINC000449688419 501062708 /nfs/dbraw/zinc/06/27/08/501062708.db2.gz UZKQJGPKDRCKNB-OAQYLSRUSA-N 0 3 350.466 3.466 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000436167338 501082693 /nfs/dbraw/zinc/08/26/93/501082693.db2.gz BBCOIWWLGQOXKG-UHFFFAOYSA-N 0 3 353.422 3.211 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](CC)Oc2cccc(Cl)c2)CC1 ZINC000441082126 501085749 /nfs/dbraw/zinc/08/57/49/501085749.db2.gz VXUCXESQDKAGSH-QGZVFWFLSA-N 0 3 365.905 3.447 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000588206830 506234369 /nfs/dbraw/zinc/23/43/69/506234369.db2.gz MZMLOKVSESYSQV-FUHWJXTLSA-N 0 3 366.868 3.370 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441275026 501111947 /nfs/dbraw/zinc/11/19/47/501111947.db2.gz IGYUBJXSHPXRKH-BZSNNMDCSA-N 0 3 362.539 3.400 20 30 FGEDHN N#CC1CCC(N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000602636112 506239068 /nfs/dbraw/zinc/23/90/68/506239068.db2.gz GJMLVBFUDFTLNM-PXCJXSSVSA-N 0 3 362.271 3.226 20 30 FGEDHN CN(C)CC1(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCC1 ZINC000442199895 501207179 /nfs/dbraw/zinc/20/71/79/501207179.db2.gz KDKWTVLCKAUKCK-UHFFFAOYSA-N 0 3 356.348 3.063 20 30 FGEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C[C@H](O)COc1ccc(C#N)cc1 ZINC000451134598 501247494 /nfs/dbraw/zinc/24/74/94/501247494.db2.gz JBOHKUJNPNCGNT-XNISGKROSA-N 0 3 356.388 3.349 20 30 FGEDHN C=CC[C@@H](CC)NC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000455406801 501294039 /nfs/dbraw/zinc/29/40/39/501294039.db2.gz WAKGAKLXNHFJNZ-GOSISDBHSA-N 0 3 372.513 3.263 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN([C@@H]3CCc4ccc(C#N)cc43)CC2)c1 ZINC000453297190 501310363 /nfs/dbraw/zinc/31/03/63/501310363.db2.gz ZBEPSDBBOLGYAY-HXUWFJFHSA-N 0 3 364.449 3.256 20 30 FGEDHN CC1CCC(N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000455533670 501327118 /nfs/dbraw/zinc/32/71/18/501327118.db2.gz GLUFAUMBHABHOD-UHFFFAOYSA-N 0 3 358.461 3.103 20 30 FGEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453424399 501328788 /nfs/dbraw/zinc/32/87/88/501328788.db2.gz JEFHDQPELKSSAV-YQVWRLOYSA-N 0 3 369.513 3.009 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H](C(C)C)[C@@H](CO)C(C)C)c(C#N)c1C ZINC000451603653 501335320 /nfs/dbraw/zinc/33/53/20/501335320.db2.gz XNRZISBPPHRQGR-DOTOQJQBSA-N 0 3 351.516 3.054 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000451669938 501347793 /nfs/dbraw/zinc/34/77/93/501347793.db2.gz BRKKZVSLSPTTRR-CVEARBPZSA-N 0 3 357.281 3.275 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000451680776 501349455 /nfs/dbraw/zinc/34/94/55/501349455.db2.gz KGACKMPRZLVXLI-AQNXPRMDSA-N 0 3 358.482 3.072 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000451681095 501349558 /nfs/dbraw/zinc/34/95/58/501349558.db2.gz LGBMVWKIGPGWOC-INMHGKMJSA-N 0 3 359.495 3.200 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000451759819 501367086 /nfs/dbraw/zinc/36/70/86/501367086.db2.gz SDRGSTBYFAZATP-FQEVSTJZSA-N 0 3 356.441 3.352 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451806717 501376216 /nfs/dbraw/zinc/37/62/16/501376216.db2.gz FNXVXLAYHWSZJW-HZPDHXFCSA-N 0 3 350.528 3.134 20 30 FGEDHN C[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)N1CCCC[C@@H]1C ZINC000598964918 506249654 /nfs/dbraw/zinc/24/96/54/506249654.db2.gz SNUXIMMBGIMDIN-IRXDYDNUSA-N 0 3 354.498 3.083 20 30 FGEDHN CC1CCC(N2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)CC1 ZINC000455785139 501385593 /nfs/dbraw/zinc/38/55/93/501385593.db2.gz LQIYGABNYVRRPE-UHFFFAOYSA-N 0 3 361.877 3.335 20 30 FGEDHN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1OCCN(C)C ZINC000458197314 501390074 /nfs/dbraw/zinc/39/00/74/501390074.db2.gz NVNNUPNORULDTH-INIZCTEOSA-N 0 3 367.449 3.213 20 30 FGEDHN Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccc1CN(C)C ZINC000458261991 501405963 /nfs/dbraw/zinc/40/59/63/501405963.db2.gz JRSRYAAYTNNPLH-FQEVSTJZSA-N 0 3 359.470 3.257 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455900122 501410534 /nfs/dbraw/zinc/41/05/34/501410534.db2.gz BOPOMEYEQSTLGT-LJQANCHMSA-N 0 3 352.438 3.186 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000602681990 506260545 /nfs/dbraw/zinc/26/05/45/506260545.db2.gz OXZBBUXTIPMZQK-BDXSIMOUSA-N 0 3 360.502 3.069 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000454537554 501572343 /nfs/dbraw/zinc/57/23/43/501572343.db2.gz HLSWWECPGPDUDO-SFHVURJKSA-N 0 3 363.889 3.153 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CNC(C)(C)CN(C)C)c1C#N ZINC000459546899 501674216 /nfs/dbraw/zinc/67/42/16/501674216.db2.gz IZLDBURRZYQDAY-UHFFFAOYSA-N 0 3 373.545 3.350 20 30 FGEDHN Cc1nsc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1C#N ZINC000459553319 501675656 /nfs/dbraw/zinc/67/56/56/501675656.db2.gz XWSBBWMMMHBZAQ-INIZCTEOSA-N 0 3 355.467 3.282 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000457408264 501694058 /nfs/dbraw/zinc/69/40/58/501694058.db2.gz PIQSWWVKNSTJAR-NJDAHSKKSA-N 0 3 372.509 3.320 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C)c(C#N)cn1)c1cccc(OC)c1 ZINC000457412224 501694556 /nfs/dbraw/zinc/69/45/56/501694556.db2.gz JXOUICPPXUKDHE-FQEVSTJZSA-N 0 3 366.465 3.083 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000588340025 506272743 /nfs/dbraw/zinc/27/27/43/506272743.db2.gz ZCMJGYUYCXLVOX-KUHUBIRLSA-N 0 3 354.429 3.188 20 30 FGEDHN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCCN(CC)CC1 ZINC000460390476 501812370 /nfs/dbraw/zinc/81/23/70/501812370.db2.gz WKYLMTHTIOSVDK-IBGZPJMESA-N 0 3 367.497 3.062 20 30 FGEDHN CCN(CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1C ZINC000470839666 501825204 /nfs/dbraw/zinc/82/52/04/501825204.db2.gz KGJNRPLYFINMDW-FQEVSTJZSA-N 0 3 360.461 3.192 20 30 FGEDHN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470972236 501876894 /nfs/dbraw/zinc/87/68/94/501876894.db2.gz RNVBLOYLRKXVCH-WEYGHZABSA-N 0 3 359.429 3.096 20 30 FGEDHN CCC1(CC)[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)[C@@H]1OC ZINC000471099298 501918511 /nfs/dbraw/zinc/91/85/11/501918511.db2.gz JZOARVPOCAIGQA-FDPIWHGQSA-N 0 3 353.466 3.196 20 30 FGEDHN CC(C)(C)[C@@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464712557 502070803 /nfs/dbraw/zinc/07/08/03/502070803.db2.gz PGOGWCBFRQGFRT-QAPCUYQASA-N 0 3 367.415 3.495 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000588671281 506299398 /nfs/dbraw/zinc/29/93/98/506299398.db2.gz IJOOBLOAHOSXTB-UTKZUKDTSA-N 0 3 362.477 3.063 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC(n2c(C)nc3ccccc32)CC1 ZINC000482881574 502206788 /nfs/dbraw/zinc/20/67/88/502206788.db2.gz DKBZXRSOVFGBDW-UHFFFAOYSA-N 0 3 352.482 3.182 20 30 FGEDHN Cc1cc(NCC2CCN(c3ccncc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596186718 506300612 /nfs/dbraw/zinc/30/06/12/506300612.db2.gz WIOIGAWKNJBPSZ-UHFFFAOYSA-N 0 3 351.410 3.498 20 30 FGEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCCCC2 ZINC000472198714 502267112 /nfs/dbraw/zinc/26/71/12/502267112.db2.gz BXNCLWUOGFMLTN-SLFFLAALSA-N 0 3 365.477 3.485 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc(C(F)(F)F)cs2)cc1 ZINC000472207604 502270297 /nfs/dbraw/zinc/27/02/97/502270297.db2.gz QBAUWSUHFBRUOU-GFCCVEGCSA-N 0 3 364.352 3.032 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000462269934 502374715 /nfs/dbraw/zinc/37/47/15/502374715.db2.gz MYCGSEAMFADVTC-IFXJQAMLSA-N 0 3 352.413 3.339 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000469508220 502446024 /nfs/dbraw/zinc/44/60/24/502446024.db2.gz ILRXZHXGXCEYOH-AZUAARDMSA-N 0 3 352.409 3.498 20 30 FGEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000466102929 502478768 /nfs/dbraw/zinc/47/87/68/502478768.db2.gz BLYBRCJLUAGXDP-UHFFFAOYSA-N 0 3 372.513 3.091 20 30 FGEDHN C[C@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000462536920 502478718 /nfs/dbraw/zinc/47/87/18/502478718.db2.gz GKKWVSPUFIOCOT-PXNSSMCTSA-N 0 3 362.477 3.037 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000469652519 502492470 /nfs/dbraw/zinc/49/24/70/502492470.db2.gz QMDALPSBSNQDDF-QUCCMNQESA-N 0 3 352.409 3.498 20 30 FGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000480362956 502546743 /nfs/dbraw/zinc/54/67/43/502546743.db2.gz JIYIGMGRZCONLX-OAHLLOKOSA-N 0 3 359.433 3.395 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CC[C@H](C)O1 ZINC000473401258 502585360 /nfs/dbraw/zinc/58/53/60/502585360.db2.gz LZKVZTMLDPJSRT-JKSUJKDBSA-N 0 3 350.532 3.152 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(CCOCC2)CC1)C(C)C ZINC000480537004 502595152 /nfs/dbraw/zinc/59/51/52/502595152.db2.gz BIXKZIFNDOLOPZ-IBGZPJMESA-N 0 3 363.546 3.287 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000488005793 502597361 /nfs/dbraw/zinc/59/73/61/502597361.db2.gz DCZFUFCVUZHPDC-TZIWHRDSSA-N 0 3 370.541 3.211 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cnc(C)cn1 ZINC000488221197 502662673 /nfs/dbraw/zinc/66/26/73/502662673.db2.gz VSNMLAGIYLRRGF-MRXNPFEDSA-N 0 3 372.542 3.444 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@](F)(C#N)C2)N(C)C)cc1 ZINC000588756922 506328043 /nfs/dbraw/zinc/32/80/43/506328043.db2.gz YHTQTJANNRBOOZ-UYAOXDASSA-N 0 3 360.477 3.135 20 30 FGEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCCc1cccc(C#N)c1 ZINC000466810619 502689102 /nfs/dbraw/zinc/68/91/02/502689102.db2.gz AFXMLRYKFQRUEW-UHFFFAOYSA-N 0 3 356.514 3.254 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCc1cccc(C#N)c1 ZINC000466824557 502695971 /nfs/dbraw/zinc/69/59/71/502695971.db2.gz SBXDSGWPSKYLRG-UHFFFAOYSA-N 0 3 364.493 3.311 20 30 FGEDHN C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000477290131 502732368 /nfs/dbraw/zinc/73/23/68/502732368.db2.gz HCOUFEFPJSTNJM-HNNXBMFYSA-N 0 3 352.400 3.438 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)CC(C)(C)C ZINC000463376895 502776391 /nfs/dbraw/zinc/77/63/91/502776391.db2.gz SNPOSDZJMYBVQP-UHFFFAOYSA-N 0 3 362.518 3.320 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000470476093 502788785 /nfs/dbraw/zinc/78/87/85/502788785.db2.gz XDVUZXISVYFJJO-WIYYLYMNSA-N 0 3 356.510 3.448 20 30 FGEDHN C=CCNc1ncc(C(=O)NCc2ccccc2CN2CCCCC2)s1 ZINC000474050856 502790735 /nfs/dbraw/zinc/79/07/35/502790735.db2.gz AJTGPJHUCFPRFG-UHFFFAOYSA-N 0 3 370.522 3.079 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000505040300 502844097 /nfs/dbraw/zinc/84/40/97/502844097.db2.gz HKYMSDBKMROKDO-IBGZPJMESA-N 0 3 357.498 3.286 20 30 FGEDHN C[C@H](C#N)CN(C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509237082 502856532 /nfs/dbraw/zinc/85/65/32/502856532.db2.gz YCEPPTXMTANUKM-PBHICJAKSA-N 0 3 353.388 3.059 20 30 FGEDHN CNC(=O)CC[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000513178203 502869692 /nfs/dbraw/zinc/86/96/92/502869692.db2.gz MDYBPGOQSMOLOD-KRWDZBQOSA-N 0 3 352.400 3.438 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(C#N)cc1 ZINC000496210042 502878049 /nfs/dbraw/zinc/87/80/49/502878049.db2.gz IAIBSXOVDHIPSQ-UHFFFAOYSA-N 0 3 353.441 3.220 20 30 FGEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCCC[C@@H]1C ZINC000489112335 502881884 /nfs/dbraw/zinc/88/18/84/502881884.db2.gz CKTLKCQQGRKHAV-KRWDZBQOSA-N 0 3 350.528 3.447 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000489161225 502891028 /nfs/dbraw/zinc/89/10/28/502891028.db2.gz UJCIBWHGTHLLAR-UHFFFAOYSA-N 0 3 371.525 3.432 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000489199578 502899647 /nfs/dbraw/zinc/89/96/47/502899647.db2.gz KCBUNGYCKYKYLJ-ROUUACIJSA-N 0 3 351.535 3.310 20 30 FGEDHN C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCN1C1CCN(C)CC1 ZINC000505708350 502971343 /nfs/dbraw/zinc/97/13/43/502971343.db2.gz YYWYSMJLDZEYEZ-AWEZNQCLSA-N 0 3 366.431 3.182 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000505855162 502999937 /nfs/dbraw/zinc/99/99/37/502999937.db2.gz NTGFUBAFIJMFLA-UHFFFAOYSA-N 0 3 357.498 3.124 20 30 FGEDHN CC(C)(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000505887386 503006116 /nfs/dbraw/zinc/00/61/16/503006116.db2.gz YONSWLKFVCDZPV-HXUWFJFHSA-N 0 3 365.452 3.366 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000497818393 503047735 /nfs/dbraw/zinc/04/77/35/503047735.db2.gz USIHKXLEWYITCS-UTKZUKDTSA-N 0 3 362.477 3.268 20 30 FGEDHN C[C@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497902019 503063355 /nfs/dbraw/zinc/06/33/55/503063355.db2.gz XMHDMGSGMMWHOH-PXNSSMCTSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@H]2CCCN2Cc2ccccc2)nc1 ZINC000514083166 503082194 /nfs/dbraw/zinc/08/21/94/503082194.db2.gz KGZULQVNPQLGLM-LJQANCHMSA-N 0 3 350.466 3.074 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000514213197 503113822 /nfs/dbraw/zinc/11/38/22/503113822.db2.gz IJKSIIHIDOJANN-KBPBESRZSA-N 0 3 372.538 3.403 20 30 FGEDHN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCc2ccccc2C1 ZINC000514540917 503135951 /nfs/dbraw/zinc/13/59/51/503135951.db2.gz BYQXKBFKGUJDDY-LJQANCHMSA-N 0 3 365.437 3.356 20 30 FGEDHN Cn1cc(CN2CCC[C@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490380490 503165127 /nfs/dbraw/zinc/16/51/27/503165127.db2.gz YQUOQGUZSAYDQA-NRFANRHFSA-N 0 3 350.466 3.351 20 30 FGEDHN C[C@]1(CNC(=O)c2cccc(F)c2C#N)CCCN1Cc1ccccc1 ZINC000490515611 503187180 /nfs/dbraw/zinc/18/71/80/503187180.db2.gz XUXNJRANDMUTHS-OAQYLSRUSA-N 0 3 351.425 3.482 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@@H]1CC(C)C)C(C)C ZINC000506912923 503193709 /nfs/dbraw/zinc/19/37/09/503193709.db2.gz CVZRAYBXRXSOLD-OALUTQOASA-N 0 3 351.535 3.142 20 30 FGEDHN N#CCc1ccc(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1 ZINC000510939223 503221068 /nfs/dbraw/zinc/22/10/68/503221068.db2.gz WQGXGULTMKJSPY-MRXNPFEDSA-N 0 3 353.388 3.033 20 30 FGEDHN COc1cc(CN[C@H](C)[C@H](c2ccccc2)N2CCOCC2)ccc1C#N ZINC000514895205 503221936 /nfs/dbraw/zinc/22/19/36/503221936.db2.gz XZKNWGWPISDYBR-VGOFRKELSA-N 0 3 365.477 3.118 20 30 FGEDHN Cc1cc(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)ccc1C#N ZINC000510946844 503222715 /nfs/dbraw/zinc/22/27/15/503222715.db2.gz CZQKNJBKRISALQ-OAHLLOKOSA-N 0 3 353.388 3.147 20 30 FGEDHN C[C@H]1CCCCN1CCNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000507116800 503233990 /nfs/dbraw/zinc/23/39/90/503233990.db2.gz SBGGGKLUZQLLNA-ZDUSSCGKSA-N 0 3 360.408 3.416 20 30 FGEDHN CCCCCC(=O)NC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000498663703 503235377 /nfs/dbraw/zinc/23/53/77/503235377.db2.gz PQYAAAROGWGALU-UHFFFAOYSA-N 0 3 370.497 3.048 20 30 FGEDHN COc1ccccc1C[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507401397 503294396 /nfs/dbraw/zinc/29/43/96/503294396.db2.gz LBFYXMSHSLBIIS-JXFKEZNVSA-N 0 3 363.461 3.283 20 30 FGEDHN C[C@@H](Cc1ccc(F)cc1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507443495 503300061 /nfs/dbraw/zinc/30/00/61/503300061.db2.gz MMOZABRSDGIIHM-YWZLYKJASA-N 0 3 351.425 3.414 20 30 FGEDHN CCC1(N2CCOCC2)CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000599184053 506363675 /nfs/dbraw/zinc/36/36/75/506363675.db2.gz XCLTXHXHCLVZBF-UHFFFAOYSA-N 0 3 350.466 3.188 20 30 FGEDHN C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CN1Cc1ccccc1 ZINC000582682936 506364248 /nfs/dbraw/zinc/36/42/48/506364248.db2.gz HKIVUBWHRZQZND-SUMWQHHRSA-N 0 3 351.410 3.124 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000511481234 503329106 /nfs/dbraw/zinc/32/91/06/503329106.db2.gz ZHKMXRCMCBONNJ-OAQYLSRUSA-N 0 3 365.452 3.141 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000515415219 503333591 /nfs/dbraw/zinc/33/35/91/503333591.db2.gz OVZSAIRYCVREMI-SFHVURJKSA-N 0 3 356.422 3.161 20 30 FGEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000515415061 503334272 /nfs/dbraw/zinc/33/42/72/503334272.db2.gz OHHONASHWSSZFK-IEBWSBKVSA-N 0 3 353.466 3.336 20 30 FGEDHN Cn1cccc(C(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1=O ZINC000503421261 503405906 /nfs/dbraw/zinc/40/59/06/503405906.db2.gz VRUOVQWIZHLIHE-LLVKDONJSA-N 0 3 371.368 3.277 20 30 FGEDHN N#CCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511882921 503407601 /nfs/dbraw/zinc/40/76/01/503407601.db2.gz YLJTVOCQAQEJPH-LEWJYISDSA-N 0 3 362.477 3.258 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503515851 503425550 /nfs/dbraw/zinc/42/55/50/503425550.db2.gz IIFFFMFJXVGBJY-HKJQZYRSSA-N 0 3 357.498 3.157 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000512038112 503440360 /nfs/dbraw/zinc/44/03/60/503440360.db2.gz IKTDRUDKGGJUIM-QWFCFKBJSA-N 0 3 374.525 3.334 20 30 FGEDHN C=CCN1CC[C@@H](N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1=O ZINC000499605351 503440852 /nfs/dbraw/zinc/44/08/52/503440852.db2.gz YVISHBXNYQUHAH-NHCUHLMSSA-N 0 3 368.452 3.495 20 30 FGEDHN CSc1cc(C)ccc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000516175073 503462592 /nfs/dbraw/zinc/46/25/92/503462592.db2.gz CKIAJSIWLRJQLB-SFHVURJKSA-N 0 3 356.491 3.313 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000508247652 503462866 /nfs/dbraw/zinc/46/28/66/503462866.db2.gz MREOTUDWCHAUHD-FQEVSTJZSA-N 0 3 366.465 3.389 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000512160892 503472228 /nfs/dbraw/zinc/47/22/28/503472228.db2.gz ZLLJOCCZOUPEIT-OAQYLSRUSA-N 0 3 365.452 3.314 20 30 FGEDHN CCN1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000499864020 503497279 /nfs/dbraw/zinc/49/72/79/503497279.db2.gz HTXHUOXUQGAROU-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN CCC[C@@]1(NCC(=O)Nc2ccccc2SC[C@H](C)C#N)CCOC1 ZINC000512275969 503506725 /nfs/dbraw/zinc/50/67/25/503506725.db2.gz HWIVTISWMCJSDA-DNVCBOLYSA-N 0 3 361.511 3.426 20 30 FGEDHN CN1C(=O)C[C@@H](NCCOc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000494270790 503516747 /nfs/dbraw/zinc/51/67/47/503516747.db2.gz KIINQPGBBPSUED-UYAOXDASSA-N 0 3 369.852 3.152 20 30 FGEDHN CN1CCC(n2ccc(NCc3ccc(C#N)cc3C(F)(F)F)n2)CC1 ZINC000516606361 503548247 /nfs/dbraw/zinc/54/82/47/503548247.db2.gz JJSXLNSBJMTIEC-UHFFFAOYSA-N 0 3 363.387 3.074 20 30 FGEDHN C=CCn1c(-c2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 ZINC000508788437 503564815 /nfs/dbraw/zinc/56/48/15/503564815.db2.gz COJRHBHEKHCFGV-UHFFFAOYSA-N 0 3 355.461 3.335 20 30 FGEDHN CN(C(=O)Cc1c(F)cccc1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000512496452 503570404 /nfs/dbraw/zinc/57/04/04/503570404.db2.gz KOMSOTRTPICQNA-UHFFFAOYSA-N 0 3 365.452 3.363 20 30 FGEDHN C[C@@]1(c2ccccc2)CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000500229941 503583253 /nfs/dbraw/zinc/58/32/53/503583253.db2.gz NDQPZWRRZKKMSA-RBBKRZOGSA-N 0 3 350.462 3.352 20 30 FGEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508935853 503603825 /nfs/dbraw/zinc/60/38/25/503603825.db2.gz PAAGBSHUYZPCDR-FUHWJXTLSA-N 0 3 359.518 3.016 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC(C)(C)C#N ZINC000512887906 503650131 /nfs/dbraw/zinc/65/01/31/503650131.db2.gz CTOMFADJMPLSHR-UHFFFAOYSA-N 0 3 370.419 3.328 20 30 FGEDHN CC(C)(CNCCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000517127540 503674695 /nfs/dbraw/zinc/67/46/95/503674695.db2.gz NWFIDDLWLGTZND-UHFFFAOYSA-N 0 3 356.491 3.190 20 30 FGEDHN Cc1cccc([C@@H](CNCc2ccc(C#N)cc2F)N2CCOCC2)c1 ZINC000532990067 503692023 /nfs/dbraw/zinc/69/20/23/503692023.db2.gz OZGKWMXWYGTIQN-OAQYLSRUSA-N 0 3 353.441 3.169 20 30 FGEDHN CN1c2ccccc2[C@@H](NCCSCc2ccccc2C#N)CC1=O ZINC000540168221 503695364 /nfs/dbraw/zinc/69/53/64/503695364.db2.gz FUJMQBRSASZMSS-SFHVURJKSA-N 0 3 351.475 3.489 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC(=O)NCC)c1ccc(C(F)(F)F)cc1 ZINC000540430015 503769016 /nfs/dbraw/zinc/76/90/16/503769016.db2.gz PCNUDHBQIXHWHU-AWEZNQCLSA-N 0 3 357.376 3.148 20 30 FGEDHN COCCN(CCC(=O)Nc1ccc(C#N)cc1)CCc1ccccc1 ZINC000533255143 503779887 /nfs/dbraw/zinc/77/98/87/503779887.db2.gz OTZVUETTYXAUIP-UHFFFAOYSA-N 0 3 351.450 3.078 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](COc3ccccc3)C2)cc1 ZINC000527463211 503797263 /nfs/dbraw/zinc/79/72/63/503797263.db2.gz FYPWBMOJDYBJNS-PMACEKPBSA-N 0 3 359.429 3.168 20 30 FGEDHN C=CCN(Cc1ccc2c(c1)ncn2C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537180634 503829606 /nfs/dbraw/zinc/82/96/06/503829606.db2.gz KSPOCJKRQZPPLA-MRXNPFEDSA-N 0 3 373.464 3.298 20 30 FGEDHN C[C@@H](c1ccc(-c2ccc(F)cc2C#N)cc1)N1CCN(CCO)CC1 ZINC000527588473 503844843 /nfs/dbraw/zinc/84/48/43/503844843.db2.gz JQORBKPQAZDFGZ-INIZCTEOSA-N 0 3 353.441 3.035 20 30 FGEDHN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CNCCC2(F)F)cc1 ZINC000517892610 503859447 /nfs/dbraw/zinc/85/94/47/503859447.db2.gz ZCXLJPVHCZRQHA-QGZVFWFLSA-N 0 3 372.375 3.469 20 30 FGEDHN C[C@@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707382 503863010 /nfs/dbraw/zinc/86/30/10/503863010.db2.gz YCMWHLNYWCGFNS-VGSWGCGISA-N 0 3 366.484 3.337 20 30 FGEDHN COc1ccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000537305907 503874475 /nfs/dbraw/zinc/87/44/75/503874475.db2.gz AMQOTDBCRPTGOU-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543861609 503920167 /nfs/dbraw/zinc/92/01/67/503920167.db2.gz VRHZNUIFKPYXJD-DLBZAZTESA-N 0 3 365.477 3.417 20 30 FGEDHN CCN1CCC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000518178614 503922395 /nfs/dbraw/zinc/92/23/95/503922395.db2.gz DWACOMFSMGKAEG-CQSZACIVSA-N 0 3 370.375 3.105 20 30 FGEDHN C=CCOc1ccccc1CNc1ccc(C(=O)NCCN(C)C)cc1 ZINC000527765310 503932590 /nfs/dbraw/zinc/93/25/90/503932590.db2.gz VLPNLDPPZYSFTB-UHFFFAOYSA-N 0 3 353.466 3.155 20 30 FGEDHN CN(CCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000540925436 503940699 /nfs/dbraw/zinc/94/06/99/503940699.db2.gz NSOBYZGYCWLJSQ-INIZCTEOSA-N 0 3 362.355 3.308 20 30 FGEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533762693 503945174 /nfs/dbraw/zinc/94/51/74/503945174.db2.gz XUTWPHSWIGVGAJ-BHIYHBOVSA-N 0 3 356.466 3.370 20 30 FGEDHN N#CCCN(C(=O)CN[C@H](CO)C1CCCCC1)c1cccc(Cl)c1 ZINC000541054309 503987563 /nfs/dbraw/zinc/98/75/63/503987563.db2.gz MEGNKGUZVQHSJN-GOSISDBHSA-N 0 3 363.889 3.117 20 30 FGEDHN COc1ccc(C[C@H](C)CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000534168786 504060483 /nfs/dbraw/zinc/06/04/83/504060483.db2.gz IOOWWMMCOMQBSM-INIZCTEOSA-N 0 3 351.450 3.316 20 30 FGEDHN CN(C)CCOCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000544340524 504094123 /nfs/dbraw/zinc/09/41/23/504094123.db2.gz FOJHMHZGUNAUHT-UHFFFAOYSA-N 0 3 369.490 3.017 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000538068514 504127758 /nfs/dbraw/zinc/12/77/58/504127758.db2.gz VIQRJKWEKAJXRL-IBGZPJMESA-N 0 3 360.461 3.261 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000530967461 504145175 /nfs/dbraw/zinc/14/51/75/504145175.db2.gz QINRTEYBKPSASG-MRXNPFEDSA-N 0 3 359.351 3.472 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(COc2ccccc2)CC1 ZINC000528359907 504186257 /nfs/dbraw/zinc/18/62/57/504186257.db2.gz TYXBTIBDRDWHTR-FQEVSTJZSA-N 0 3 366.461 3.089 20 30 FGEDHN Cc1cccc(C)c1OC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)C ZINC000538321589 504205200 /nfs/dbraw/zinc/20/52/00/504205200.db2.gz QOEOQTKDMNUORC-PGRDOPGGSA-N 0 3 371.525 3.495 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1cccc(C#N)c1 ZINC000531153842 504208113 /nfs/dbraw/zinc/20/81/13/504208113.db2.gz MOQMCEYVBNUYDN-QFIPXVFZSA-N 0 3 361.489 3.471 20 30 FGEDHN C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000538397169 504233665 /nfs/dbraw/zinc/23/36/65/504233665.db2.gz SIFXMSGILPHFKO-QFBILLFUSA-N 0 3 354.523 3.259 20 30 FGEDHN C[C@@H]1Oc2ccc(C(=O)C3CCN(CCC(C)(C)C#N)CC3)cc2NC1=O ZINC000538464479 504253791 /nfs/dbraw/zinc/25/37/91/504253791.db2.gz ARZBSHGGURYKEX-AWEZNQCLSA-N 0 3 369.465 3.241 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(CCOCC2)[C@H]1C)C(C)C ZINC000541786673 504254808 /nfs/dbraw/zinc/25/48/08/504254808.db2.gz BNVICXBDZHWVBT-MOPGFXCFSA-N 0 3 363.546 3.286 20 30 FGEDHN N#Cc1cccc(CC(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 ZINC000531384660 504288689 /nfs/dbraw/zinc/28/86/89/504288689.db2.gz NIZHLCFWZHEGFJ-UHFFFAOYSA-N 0 3 374.488 3.271 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N2CCC(CC#N)CC2)CC1 ZINC000541912648 504299683 /nfs/dbraw/zinc/29/96/83/504299683.db2.gz FFMSWOXQMPGUDS-UHFFFAOYSA-N 0 3 354.498 3.295 20 30 FGEDHN COc1cc(C)nc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000538615091 504304233 /nfs/dbraw/zinc/30/42/33/504304233.db2.gz SJDMUQWKNCJZLI-MRXNPFEDSA-N 0 3 354.429 3.168 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538666371 504319502 /nfs/dbraw/zinc/31/95/02/504319502.db2.gz WAOWIQZOOAZQQM-SFHVURJKSA-N 0 3 371.529 3.232 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538666371 504319506 /nfs/dbraw/zinc/31/95/06/504319506.db2.gz WAOWIQZOOAZQQM-SFHVURJKSA-N 0 3 371.529 3.232 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H](C)C[C@H](C)O)cc1OC ZINC000542135018 504375840 /nfs/dbraw/zinc/37/58/40/504375840.db2.gz PFTMZIGDWUJDDM-NEPJUHHUSA-N 0 3 358.276 3.272 20 30 FGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cn1ccc(C(F)F)n1 ZINC000528920132 504449695 /nfs/dbraw/zinc/44/96/95/504449695.db2.gz MVOIMIVZGRAFTK-CQSZACIVSA-N 0 3 374.391 3.293 20 30 FGEDHN CCN(C[C@@H]1CCCN1CC)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000548453946 504452598 /nfs/dbraw/zinc/45/25/98/504452598.db2.gz URKKVDIDASRZRF-SFHVURJKSA-N 0 3 373.497 3.059 20 30 FGEDHN C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000539209382 504498347 /nfs/dbraw/zinc/49/83/47/504498347.db2.gz BGBFCSJKODQBGG-KRWDZBQOSA-N 0 3 362.477 3.461 20 30 FGEDHN C=CCn1c(C2CCCC2)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000548937992 504629015 /nfs/dbraw/zinc/62/90/15/504629015.db2.gz JUVNRFCOQHCYOO-GOSISDBHSA-N 0 3 361.534 3.059 20 30 FGEDHN C[C@@H](C#N)CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000542876725 504643481 /nfs/dbraw/zinc/64/34/81/504643481.db2.gz FJSQNUQMTHBMAD-IBGZPJMESA-N 0 3 364.493 3.490 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000532504816 504674219 /nfs/dbraw/zinc/67/42/19/504674219.db2.gz DFBQTAVKLVWJBI-DYESRHJHSA-N 0 3 359.473 3.369 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000532747211 504751479 /nfs/dbraw/zinc/75/14/79/504751479.db2.gz LMXDLYCWJMSLNJ-VGEYWCCESA-N 0 3 361.530 3.054 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000521573634 504758741 /nfs/dbraw/zinc/75/87/41/504758741.db2.gz LCFKEYJQOSZSMP-UHFFFAOYSA-N 0 3 364.873 3.272 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)CC1 ZINC000521578299 504759420 /nfs/dbraw/zinc/75/94/20/504759420.db2.gz XCJGLBGUQCWGMI-HNNXBMFYSA-N 0 3 355.486 3.091 20 30 FGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000549291699 504784642 /nfs/dbraw/zinc/78/46/42/504784642.db2.gz LKONUYCJEVVWHP-GOSISDBHSA-N 0 3 361.534 3.059 20 30 FGEDHN N#Cc1cc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)ccc1Cl ZINC000559248697 504808735 /nfs/dbraw/zinc/80/87/35/504808735.db2.gz ABOYMXOWMUDHIU-KRWDZBQOSA-N 0 3 355.825 3.031 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@H]2CF)c1C#N ZINC000559409615 504856277 /nfs/dbraw/zinc/85/62/77/504856277.db2.gz AUCKHRPDDQBNSZ-INIZCTEOSA-N 0 3 372.444 3.380 20 30 FGEDHN N#Cc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)ccc1F ZINC000556404273 504865152 /nfs/dbraw/zinc/86/51/52/504865152.db2.gz KCZRTLASKRAMRD-UHFFFAOYSA-N 0 3 361.486 3.179 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000565536234 504915758 /nfs/dbraw/zinc/91/57/58/504915758.db2.gz ZELXCLXXNPVJIC-NHCUHLMSSA-N 0 3 373.447 3.045 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000565536236 504916325 /nfs/dbraw/zinc/91/63/25/504916325.db2.gz ZELXCLXXNPVJIC-SFTDATJTSA-N 0 3 373.447 3.045 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000550097258 504966466 /nfs/dbraw/zinc/96/64/66/504966466.db2.gz RMYYQMJJDPWQFN-SFHVURJKSA-N 0 3 368.477 3.312 20 30 FGEDHN C=CCOc1ccccc1-c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000562897082 504978985 /nfs/dbraw/zinc/97/89/85/504978985.db2.gz RESBFTRHNRXNDZ-UHFFFAOYSA-N 0 3 366.421 3.304 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000553783830 505009319 /nfs/dbraw/zinc/00/93/19/505009319.db2.gz UBYDFCMLMVMUGU-GPMSIDNRSA-N 0 3 358.482 3.062 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(CC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000563049697 505034302 /nfs/dbraw/zinc/03/43/02/505034302.db2.gz ZJXJPSQQOMMLSZ-JXFKEZNVSA-N 0 3 350.466 3.243 20 30 FGEDHN N#Cc1c(NC(=O)c2ccc(CN3CCCCC3)cc2)nc2n1CCS2 ZINC000565975200 505043406 /nfs/dbraw/zinc/04/34/06/505043406.db2.gz BTVGDXOKXIRVMA-UHFFFAOYSA-N 0 3 367.478 3.099 20 30 FGEDHN COc1ccc(Oc2ccc(CCNC(=O)[C@@H](N)CCCC#N)cc2)cc1 ZINC000563207289 505076113 /nfs/dbraw/zinc/07/61/13/505076113.db2.gz PFTYKVBLCNDNNQ-FQEVSTJZSA-N 0 3 367.449 3.167 20 30 FGEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000551248727 505185279 /nfs/dbraw/zinc/18/52/79/505185279.db2.gz PQQBDCAUAFOEDX-ZOMKSWQUSA-N 0 3 359.436 3.484 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000554499324 505189442 /nfs/dbraw/zinc/18/94/42/505189442.db2.gz RACPDRVWZZNDTI-ZDUSSCGKSA-N 0 3 361.467 3.311 20 30 FGEDHN Cc1nc(SCC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c(C#N)c(C)c1C ZINC000557639956 505190228 /nfs/dbraw/zinc/19/02/28/505190228.db2.gz IHVIXLJDRSRPPN-CXAGYDPISA-N 0 3 372.538 3.056 20 30 FGEDHN C=C(C)[C@H](CC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)OCC ZINC000557647322 505192263 /nfs/dbraw/zinc/19/22/63/505192263.db2.gz ZDMMCECGEHWPNI-RBBKRZOGSA-N 0 3 356.510 3.482 20 30 FGEDHN CC(C)(C#N)CCCCN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000566658113 505234570 /nfs/dbraw/zinc/23/45/70/505234570.db2.gz SNOYDQUEUQWDEH-UHFFFAOYSA-N 0 3 357.498 3.295 20 30 FGEDHN Cc1cccc(S(=O)(=O)N(CCN2CCCCCC2)C(C)C)c1C#N ZINC000557856103 505246756 /nfs/dbraw/zinc/24/67/56/505246756.db2.gz XCKYBSXIRFBXLG-UHFFFAOYSA-N 0 3 363.527 3.142 20 30 FGEDHN C=CCc1cc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc(OC)c1OC ZINC000561527656 505368259 /nfs/dbraw/zinc/36/82/59/505368259.db2.gz KHTCQGCNNUZEJF-INIZCTEOSA-N 0 3 372.509 3.379 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000552022396 505372992 /nfs/dbraw/zinc/37/29/92/505372992.db2.gz OKXWTLIXDMTYCQ-IBGZPJMESA-N 0 3 362.477 3.292 20 30 FGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccncc2OC)CC1 ZINC000555249554 505390992 /nfs/dbraw/zinc/39/09/92/505390992.db2.gz RIFQAMXCTXQOQN-INIZCTEOSA-N 0 3 370.501 3.098 20 30 FGEDHN COC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1C#N ZINC000555254859 505392231 /nfs/dbraw/zinc/39/22/31/505392231.db2.gz RSJFERZQBUMZTP-MEGFKASBSA-N 0 3 370.493 3.496 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(C#N)s2)N(C)C)cc1 ZINC000561653163 505400752 /nfs/dbraw/zinc/40/07/52/505400752.db2.gz VLHRYZKTWSACKR-KRWDZBQOSA-N 0 3 357.479 3.440 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(C)c2-c2ccccc2)CC1 ZINC000558518522 505415207 /nfs/dbraw/zinc/41/52/07/505415207.db2.gz PJHFZWHVOJJGSI-UHFFFAOYSA-N 0 3 353.470 3.249 20 30 FGEDHN C[C@H](O)C[C@@H]1CCCCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552178989 505421905 /nfs/dbraw/zinc/42/19/05/505421905.db2.gz UHJVDSAZAXPPRX-FFZOFVMBSA-N 0 3 355.482 3.069 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)cccc1N1CCOCC1 ZINC000555585427 505463992 /nfs/dbraw/zinc/46/39/92/505463992.db2.gz FSUHAHDEFJWIQP-BEFAXECRSA-N 0 3 350.890 3.247 20 30 FGEDHN N#C[C@@]1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC12CCCC2 ZINC000567455642 505469172 /nfs/dbraw/zinc/46/91/72/505469172.db2.gz XICCEBQXUNMWHM-JTTJXQCZSA-N 0 3 369.431 3.382 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000552497321 505503629 /nfs/dbraw/zinc/50/36/29/505503629.db2.gz GJCGSWNJPRSZMT-QAPCUYQASA-N 0 3 358.438 3.264 20 30 FGEDHN N#Cc1ccc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 ZINC000552560378 505513730 /nfs/dbraw/zinc/51/37/30/505513730.db2.gz ZWRWHAMDVHKAFD-FQEVSTJZSA-N 0 3 364.468 3.094 20 30 FGEDHN Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)c(OCC2CC2)c1 ZINC000564849060 505538921 /nfs/dbraw/zinc/53/89/21/505538921.db2.gz IWHKMBYVDUPWJL-FQEVSTJZSA-N 0 3 366.461 3.185 20 30 FGEDHN Cc1cccc(C2(NCCS(=O)(=O)c3ccc(C#N)cn3)CCCC2)c1 ZINC000588961807 506395455 /nfs/dbraw/zinc/39/54/55/506395455.db2.gz DXACKQNWLQPMQP-UHFFFAOYSA-N 0 3 369.490 3.095 20 30 FGEDHN CC1CCC(OC2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)CC1 ZINC000599287805 506398113 /nfs/dbraw/zinc/39/81/13/506398113.db2.gz WILQRSWJJYTPSZ-XBMUEBEBSA-N 0 3 364.530 3.117 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CC[C@@]3(CC3(F)F)C2)sc2c1CCC2 ZINC000593116845 506403149 /nfs/dbraw/zinc/40/31/49/506403149.db2.gz JCNVOFQYXZUNPK-MRXNPFEDSA-N 0 3 351.422 3.168 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603074372 506409381 /nfs/dbraw/zinc/40/93/81/506409381.db2.gz AQFVRADLSHYHFE-UHFFFAOYSA-N 0 3 365.412 3.165 20 30 FGEDHN CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)CC1(C#N)CCOCC1)CCC2 ZINC000599330469 506415260 /nfs/dbraw/zinc/41/52/60/506415260.db2.gz ADANPYOZQAOGNJ-GOEBONIOSA-N 0 3 363.527 3.086 20 30 FGEDHN Cc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1C#N ZINC000599345097 506421587 /nfs/dbraw/zinc/42/15/87/506421587.db2.gz LWWOQBPRWHKPNL-HXUWFJFHSA-N 0 3 351.494 3.481 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000612117120 506444930 /nfs/dbraw/zinc/44/49/30/506444930.db2.gz ZKWMDMUXDSOVPD-LJQANCHMSA-N 0 3 360.527 3.295 20 30 FGEDHN CC[C@H](c1ccccc1OC)N(C)C[C@H](O)COc1ccccc1C#N ZINC000599420002 506448507 /nfs/dbraw/zinc/44/85/07/506448507.db2.gz XEMDATARFGQTJF-PKOBYXMFSA-N 0 3 354.450 3.390 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)NCCc1ccc(C#N)cc1)c1ccco1 ZINC000596599374 506482473 /nfs/dbraw/zinc/48/24/73/506482473.db2.gz VKYANJRHPXVFSF-MAUKXSAKSA-N 0 3 354.454 3.122 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516860 506483045 /nfs/dbraw/zinc/48/30/45/506483045.db2.gz YIFNROWGRZUTRG-IRXDYDNUSA-N 0 3 364.436 3.216 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000593304959 506526667 /nfs/dbraw/zinc/52/66/67/506526667.db2.gz HBKCUBAZKLPBCB-UHFFFAOYSA-N 0 3 360.461 3.032 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)N2CCCC2)cc1 ZINC000612362860 506544389 /nfs/dbraw/zinc/54/43/89/506544389.db2.gz IMENUDNIFZOCCN-PZJWPPBQSA-N 0 3 354.498 3.467 20 30 FGEDHN Cc1cc(NC(=O)c2cccc(C#N)n2)cc(N2CCN(C(C)C)CC2)c1 ZINC000589460992 506556832 /nfs/dbraw/zinc/55/68/32/506556832.db2.gz IGRJGOSZUXELSP-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN N#CCc1cccc2c1CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000599677569 506575043 /nfs/dbraw/zinc/57/50/43/506575043.db2.gz MMFXAEIGNNJFSM-UHFFFAOYSA-N 0 3 364.405 3.048 20 30 FGEDHN N#Cc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000589521144 506577181 /nfs/dbraw/zinc/57/71/81/506577181.db2.gz FGDMUXNGNSBCIV-SJORKVTESA-N 0 3 368.399 3.377 20 30 FGEDHN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000589590873 506594626 /nfs/dbraw/zinc/59/46/26/506594626.db2.gz BQZANTOIYADURZ-UHFFFAOYSA-N 0 3 357.479 3.395 20 30 FGEDHN CSc1ccc([O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000596828450 506622093 /nfs/dbraw/zinc/62/20/93/506622093.db2.gz JYWNOXAXLLETMS-UHFFFAOYSA-N 0 3 369.490 3.190 20 30 FGEDHN COc1cc(NC(=O)N[C@@H](CC(C)C)CN2CCCC2)c(F)cc1C#N ZINC000599810005 506649527 /nfs/dbraw/zinc/64/95/27/506649527.db2.gz NLKPYRRPVQHIGV-HNNXBMFYSA-N 0 3 362.449 3.338 20 30 FGEDHN COc1cc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c(F)cc1C#N ZINC000599813894 506652535 /nfs/dbraw/zinc/65/25/35/506652535.db2.gz SFHLPIBCIFQPCC-LPHOPBHVSA-N 0 3 368.412 3.273 20 30 FGEDHN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C(C#N)CC ZINC000593523245 506668968 /nfs/dbraw/zinc/66/89/68/506668968.db2.gz MZMINISQMJQTIU-FZMZJTMJSA-N 0 3 357.237 3.134 20 30 FGEDHN COc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000599859521 506683614 /nfs/dbraw/zinc/68/36/14/506683614.db2.gz XGVQBXIJWKSUJH-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN Cc1cc(C)n(-c2ccc(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)n1 ZINC000590005114 506703676 /nfs/dbraw/zinc/70/36/76/506703676.db2.gz QISLANLOESPTMS-OAQYLSRUSA-N 0 3 373.460 3.409 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000596970443 506704619 /nfs/dbraw/zinc/70/46/19/506704619.db2.gz JUWFQWIHUXUJEW-INIZCTEOSA-N 0 3 369.415 3.478 20 30 FGEDHN CCn1nc(C)c(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1C ZINC000593693009 506734290 /nfs/dbraw/zinc/73/42/90/506734290.db2.gz LTAXAYXMYIGXHK-UHFFFAOYSA-N 0 3 351.498 3.146 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000609162756 506799669 /nfs/dbraw/zinc/79/96/69/506799669.db2.gz SFDRPYGKUSWGOF-FQEVSTJZSA-N 0 3 357.498 3.044 20 30 FGEDHN CN(CCN1CCCCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000593882462 506818640 /nfs/dbraw/zinc/81/86/40/506818640.db2.gz HYYGMJPZTXPRGG-UHFFFAOYSA-N 0 3 364.449 3.303 20 30 FGEDHN CN(CCN1CCCCC1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000593882421 506819540 /nfs/dbraw/zinc/81/95/40/506819540.db2.gz GOIIYDRZFGNTEU-UHFFFAOYSA-N 0 3 367.449 3.288 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCCO[C@H](c2ccccc2)C1 ZINC000609233410 506822062 /nfs/dbraw/zinc/82/20/62/506822062.db2.gz DXPBXUOTLIVQNL-KRWDZBQOSA-N 0 3 355.463 3.412 20 30 FGEDHN CN1C[C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)[C@@H]2C1 ZINC000590444750 506824193 /nfs/dbraw/zinc/82/41/93/506824193.db2.gz KPJYGHJZIVNFCR-SJLPKXTDSA-N 0 3 363.486 3.486 20 30 FGEDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000590447062 506826666 /nfs/dbraw/zinc/82/66/66/506826666.db2.gz YANFYQWKSSAUTO-PKOBYXMFSA-N 0 3 363.486 3.486 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000609281742 506834558 /nfs/dbraw/zinc/83/45/58/506834558.db2.gz XKBYLZVEJZFYDM-UHFFFAOYSA-N 0 3 365.861 3.289 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccsc2[nH]1 ZINC000604482156 506844889 /nfs/dbraw/zinc/84/48/89/506844889.db2.gz ODJSALFVUZSWQA-UHFFFAOYSA-N 0 3 352.463 3.305 20 30 FGEDHN CCN(CCC(=O)Nc1sccc1C#N)Cc1ccc(OC)cc1OC ZINC000604493324 506849067 /nfs/dbraw/zinc/84/90/67/506849067.db2.gz MFUHWNZMWIFSAI-UHFFFAOYSA-N 0 3 373.478 3.488 20 30 FGEDHN N#CCN1CCC(NCc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000609334921 506856487 /nfs/dbraw/zinc/85/64/87/506856487.db2.gz LBQIMBVUJKNFMG-UHFFFAOYSA-N 0 3 370.884 3.392 20 30 FGEDHN CCC(C)(C)N1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000594020332 506887503 /nfs/dbraw/zinc/88/75/03/506887503.db2.gz IEPKGJJISMOURA-IDYZSHNDSA-N 0 3 362.562 3.112 20 30 FGEDHN N#C[C@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC12CCCC2 ZINC000590626089 506887586 /nfs/dbraw/zinc/88/75/86/506887586.db2.gz LBUAADTWARRRTK-KNQAVFIVSA-N 0 3 351.494 3.489 20 30 FGEDHN Cn1cc(CN2CCC[C@@H](OC3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000594027234 506891830 /nfs/dbraw/zinc/89/18/30/506891830.db2.gz SVIIQOCLXNFAMU-HXUWFJFHSA-N 0 3 350.466 3.492 20 30 FGEDHN Cn1cc(CN2CCC[C@H](OC3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000594027233 506893168 /nfs/dbraw/zinc/89/31/68/506893168.db2.gz SVIIQOCLXNFAMU-FQEVSTJZSA-N 0 3 350.466 3.492 20 30 FGEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000594042903 506902375 /nfs/dbraw/zinc/90/23/75/506902375.db2.gz FSVWPUUDCTXJAI-ZDUSSCGKSA-N 0 3 356.438 3.136 20 30 FGEDHN Cc1ccccc1CN1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000590685392 506908956 /nfs/dbraw/zinc/90/89/56/506908956.db2.gz HFHTXIHSYJOIIS-UHFFFAOYSA-N 0 3 350.422 3.487 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C[C@@H]1C ZINC000597427658 506949465 /nfs/dbraw/zinc/94/94/65/506949465.db2.gz WXVKHZCCYIRDCG-JKSUJKDBSA-N 0 3 364.497 3.146 20 30 FGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000590829753 506986113 /nfs/dbraw/zinc/98/61/13/506986113.db2.gz UUMXKMAHGKXXBY-AZUAARDMSA-N 0 3 354.498 3.355 20 30 FGEDHN CN(C)CCn1cc(NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cn1 ZINC000590846005 506996788 /nfs/dbraw/zinc/99/67/88/506996788.db2.gz XHTKCGWCXUENTI-UHFFFAOYSA-N 0 3 370.457 3.138 20 30 FGEDHN C[C@@](CO)(NCCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000609799679 507005751 /nfs/dbraw/zinc/00/57/51/507005751.db2.gz BUENLCSEFCBXDZ-SFHVURJKSA-N 0 3 364.367 3.453 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000597655087 507048150 /nfs/dbraw/zinc/04/81/50/507048150.db2.gz ZJXACBQLPZTIBF-BFUOFWGJSA-N 0 3 355.388 3.229 20 30 FGEDHN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C(C)C#N)CC2 ZINC000609919718 507050043 /nfs/dbraw/zinc/05/00/43/507050043.db2.gz FPPKHEFLDJXSBF-XIKOKIGWSA-N 0 3 356.447 3.399 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000597660749 507050602 /nfs/dbraw/zinc/05/06/02/507050602.db2.gz NCVWKWRSLUXEHS-HXUWFJFHSA-N 0 3 371.525 3.314 20 30 FGEDHN CC(C#N)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000609920701 507050767 /nfs/dbraw/zinc/05/07/67/507050767.db2.gz BIMKBKFUPFGZSV-SNVBAGLBSA-N 0 3 350.205 3.302 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CCC2)cc1 ZINC000594284019 507063108 /nfs/dbraw/zinc/06/31/08/507063108.db2.gz PYFGLLJQTVJIEI-MOPGFXCFSA-N 0 3 352.482 3.254 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000594322747 507078709 /nfs/dbraw/zinc/07/87/09/507078709.db2.gz QATJSZXXDWIKGI-KRWDZBQOSA-N 0 3 365.477 3.033 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccccc1OC1CCCC1 ZINC000600715509 507078749 /nfs/dbraw/zinc/07/87/49/507078749.db2.gz GQOXUACVLYVUGO-IBGZPJMESA-N 0 3 366.461 3.409 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000600715575 507078982 /nfs/dbraw/zinc/07/89/82/507078982.db2.gz ACIRYTJYDSSJCN-NVXWUHKLSA-N 0 3 358.438 3.264 20 30 FGEDHN CC(C)CCOc1ccccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600724433 507083762 /nfs/dbraw/zinc/08/37/62/507083762.db2.gz TTWGLTXMJJGAMK-LJQANCHMSA-N 0 3 360.498 3.272 20 30 FGEDHN C[C@@H](CC#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000597763766 507088973 /nfs/dbraw/zinc/08/89/73/507088973.db2.gz IRXJEPLZZWOARH-ORYQWCPZSA-N 0 3 365.452 3.460 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000600733554 507090238 /nfs/dbraw/zinc/09/02/38/507090238.db2.gz KFUFRHLDNLKRAP-YPMHNXCESA-N 0 3 353.285 3.240 20 30 FGEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1NC(=O)c1ccco1 ZINC000594427099 507127553 /nfs/dbraw/zinc/12/75/53/507127553.db2.gz HEPUGMPRHJXHDV-OAHLLOKOSA-N 0 3 354.410 3.190 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000594427911 507127995 /nfs/dbraw/zinc/12/79/95/507127995.db2.gz XMIIICXDIAPPBT-CYBMUJFWSA-N 0 3 361.496 3.180 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000594430874 507129590 /nfs/dbraw/zinc/12/95/90/507129590.db2.gz CKONJCBUOBPACO-OAHLLOKOSA-N 0 3 356.451 3.350 20 30 FGEDHN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)[C@H](N)CCCCC#N ZINC000594432229 507131295 /nfs/dbraw/zinc/13/12/95/507131295.db2.gz ZXRQSNHXCYAEJG-GXTWGEPZSA-N 0 3 357.376 3.000 20 30 FGEDHN Cc1cc(Br)cc(C)c1CNC(=O)[C@H](N)CCCCC#N ZINC000594432185 507131564 /nfs/dbraw/zinc/13/15/64/507131564.db2.gz ZIZFVWCCAGACNE-OAHLLOKOSA-N 0 3 352.276 3.093 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000594441029 507134796 /nfs/dbraw/zinc/13/47/96/507134796.db2.gz LICDTNOUBNCWDH-CQSZACIVSA-N 0 3 357.483 3.246 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1C ZINC000610209051 507139818 /nfs/dbraw/zinc/13/98/18/507139818.db2.gz QDIVSNTWGMBUMV-UZLBHIALSA-N 0 3 363.461 3.350 20 30 FGEDHN CC(C)(C#N)c1ccc(CNC[C@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000594497808 507155495 /nfs/dbraw/zinc/15/54/95/507155495.db2.gz GWCFIHOBCAISAE-INIZCTEOSA-N 0 3 360.404 3.295 20 30 FGEDHN CC(C)(C#N)c1ccc(CNC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000594502283 507157157 /nfs/dbraw/zinc/15/71/57/507157157.db2.gz XKIBRYUQLPVZHP-QGZVFWFLSA-N 0 3 353.441 3.061 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCCNc2nccc(C(F)(F)F)n2)cc1 ZINC000594510340 507161588 /nfs/dbraw/zinc/16/15/88/507161588.db2.gz CJYULHMFDGETKT-UHFFFAOYSA-N 0 3 363.387 3.498 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000600897058 507166724 /nfs/dbraw/zinc/16/67/24/507166724.db2.gz OZIYOQWXCWWYQX-HXUWFJFHSA-N 0 3 365.477 3.325 20 30 FGEDHN C=CCN1CCC(Nc2c(C(=O)OCC)cnc3nc(C)ccc32)CC1 ZINC000610277463 507172870 /nfs/dbraw/zinc/17/28/70/507172870.db2.gz MHSREQJEGJMNCF-UHFFFAOYSA-N 0 3 354.454 3.177 20 30 FGEDHN N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(CN)c3)CC2)c1 ZINC000591309741 507195262 /nfs/dbraw/zinc/19/52/62/507195262.db2.gz CUNUFCSAWNOSMZ-UHFFFAOYSA-N 0 3 350.422 3.092 20 30 FGEDHN N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(CN)c3)CC2)c(F)c1 ZINC000591310023 507195734 /nfs/dbraw/zinc/19/57/34/507195734.db2.gz ZVTJNLBISSTPFK-UHFFFAOYSA-N 0 3 368.412 3.231 20 30 FGEDHN N#Cc1cccc(OCc2cn([C@H]3CCN(Cc4ccccc4)C3)nn2)c1 ZINC000594650599 507220468 /nfs/dbraw/zinc/22/04/68/507220468.db2.gz YLXFHNYRTCVJPW-FQEVSTJZSA-N 0 3 359.433 3.176 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3ccc(C#N)n3C)sc2c1)C1CC1 ZINC000598029030 507225982 /nfs/dbraw/zinc/22/59/82/507225982.db2.gz PHLZZTLJMAYWLN-UHFFFAOYSA-N 0 3 365.462 3.353 20 30 FGEDHN C[C@@H](COc1c(F)cccc1F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598153446 507283106 /nfs/dbraw/zinc/28/31/06/507283106.db2.gz KUCIWONGGUFXCS-BBRMVZONSA-N 0 3 369.371 3.102 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601187366 507290682 /nfs/dbraw/zinc/29/06/82/507290682.db2.gz LYXXFHIFWWVIFB-GOSISDBHSA-N 0 3 362.477 3.477 20 30 FGEDHN C[C@H]1CN(c2ccc(CNCc3ccc(C4(C#N)CC4)cc3)cn2)CCO1 ZINC000594924547 507318009 /nfs/dbraw/zinc/31/80/09/507318009.db2.gz JSAOWUDUKBSLOC-KRWDZBQOSA-N 0 3 362.477 3.152 20 30 FGEDHN CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)NCc1cccs1 ZINC000594952132 507328007 /nfs/dbraw/zinc/32/80/07/507328007.db2.gz WHFAXIBNGCEHRH-GOSISDBHSA-N 0 3 353.491 3.488 20 30 FGEDHN C=CCCn1cc(CN[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)nn1 ZINC000594952543 507329850 /nfs/dbraw/zinc/32/98/50/507329850.db2.gz WIJDTMGPPXVZED-BHYGNILZSA-N 0 3 362.518 3.336 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)ccc1OC ZINC000594960707 507333253 /nfs/dbraw/zinc/33/32/53/507333253.db2.gz KIRFGRODGGEZHV-XVTZWQNCSA-N 0 3 351.512 3.429 20 30 FGEDHN CC(C)N(C)c1ccccc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000591762521 507350338 /nfs/dbraw/zinc/35/03/38/507350338.db2.gz GGVKVQMLICWCRT-HXUWFJFHSA-N 0 3 367.493 3.127 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000598311388 507373050 /nfs/dbraw/zinc/37/30/50/507373050.db2.gz VFYMREFBXNDGOG-ZCNNSNEGSA-N 0 3 351.450 3.048 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)C(C)C ZINC000606371231 507379818 /nfs/dbraw/zinc/37/98/18/507379818.db2.gz BPZDZIBCCXLBNV-FQEVSTJZSA-N 0 3 371.525 3.485 20 30 FGEDHN COc1ccc2ncc(C#N)c(NC[C@H](c3ccsc3)N(C)C)c2c1 ZINC000591896352 507399819 /nfs/dbraw/zinc/39/98/19/507399819.db2.gz LHNXANKLMGCUNY-GOSISDBHSA-N 0 3 352.463 3.313 20 30 FGEDHN Cc1c([C@@H](C)NC2CCN(CC#N)CC2)cnn1-c1cc(C)ccc1C ZINC000610813088 507399989 /nfs/dbraw/zinc/39/99/89/507399989.db2.gz YYYDIGICTXGMOY-QGZVFWFLSA-N 0 3 351.498 3.436 20 30 FGEDHN C[C@]1(C#N)CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000598416181 507416568 /nfs/dbraw/zinc/41/65/68/507416568.db2.gz RRJYVSBNOMXIRW-QZTJIDSGSA-N 0 3 365.399 3.203 20 30 FGEDHN CC[C@H](C)C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC ZINC000584604177 507431237 /nfs/dbraw/zinc/43/12/37/507431237.db2.gz BRGCMLWYERWDSY-OXJNMPFZSA-N 0 3 357.498 3.090 20 30 FGEDHN CCOC(=O)CCC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000610997384 507474563 /nfs/dbraw/zinc/47/45/63/507474563.db2.gz WQTMGYAITNTKMX-UHFFFAOYSA-N 0 3 363.483 3.004 20 30 FGEDHN CN(C)CCOc1ccccc1N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595377234 507475670 /nfs/dbraw/zinc/47/56/70/507475670.db2.gz NDIAMHOMUXAMIS-OAQYLSRUSA-N 0 3 364.493 3.014 20 30 FGEDHN CCCN(Cc1ccncc1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000592080164 507475789 /nfs/dbraw/zinc/47/57/89/507475789.db2.gz PPIKMWHKDWSOQK-UHFFFAOYSA-N 0 3 364.497 3.241 20 30 FGEDHN CCOc1cc(CN(C)C[C@@H](O)CC(C)(C)C#N)ccc1OC(F)F ZINC000598588283 507508242 /nfs/dbraw/zinc/50/82/42/507508242.db2.gz HPKXCEJEJKOTIM-AWEZNQCLSA-N 0 3 356.413 3.419 20 30 FGEDHN C=CCC(CC=C)C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000614445117 507517081 /nfs/dbraw/zinc/51/70/81/507517081.db2.gz BESVVDLNJWXNBN-LJQANCHMSA-N 0 3 350.547 3.475 20 30 FGEDHN COc1cc(OC)cc(C2(F)CCN(C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598614230 507519938 /nfs/dbraw/zinc/51/99/38/507519938.db2.gz JTTMYJVPUYKKMF-INIZCTEOSA-N 0 3 364.461 3.265 20 30 FGEDHN CN1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000611162123 507541171 /nfs/dbraw/zinc/54/11/71/507541171.db2.gz WMVXQFDSMDYAKB-FKBYEOEOSA-N 0 3 374.488 3.089 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C1 ZINC000595535701 507548343 /nfs/dbraw/zinc/54/83/43/507548343.db2.gz JGCBCDICSKPCSE-SJORKVTESA-N 0 3 374.554 3.293 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F)CCC2 ZINC000598799812 507606973 /nfs/dbraw/zinc/60/69/73/507606973.db2.gz KDLMWMSNNVXXSR-CABZTGNLSA-N 0 3 374.384 3.031 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000592354798 507615974 /nfs/dbraw/zinc/61/59/74/507615974.db2.gz CFWFXJSFGIPGFX-ICSRJNTNSA-N 0 3 359.539 3.439 20 30 FGEDHN CS(=O)(=O)c1cc(CN[C@@H]2CCC[C@H](C#N)C2)cc(C(F)(F)F)c1 ZINC000585765099 507620648 /nfs/dbraw/zinc/62/06/48/507620648.db2.gz GAXGCNWWLYLBDP-SMDDNHRTSA-N 0 3 360.401 3.281 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000611389095 507657901 /nfs/dbraw/zinc/65/79/01/507657901.db2.gz WWSUBLIEYQBOTE-AWEZNQCLSA-N 0 3 352.394 3.454 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OCC)c(OC)c2)CC1 ZINC000592496049 507680334 /nfs/dbraw/zinc/68/03/34/507680334.db2.gz RIXIKUOEZNZZCB-OAHLLOKOSA-N 0 3 361.486 3.105 20 30 FGEDHN CN(Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000592498790 507682058 /nfs/dbraw/zinc/68/20/58/507682058.db2.gz GEXMGSKJJXVDBX-ICSRJNTNSA-N 0 3 361.449 3.201 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CNC2(CO)CCCCC2)c1C#N ZINC000611463075 507691950 /nfs/dbraw/zinc/69/19/50/507691950.db2.gz SUYLEWQSLOGRAH-UHFFFAOYSA-N 0 3 372.513 3.315 20 30 FGEDHN Cc1ncc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000602401858 507696391 /nfs/dbraw/zinc/69/63/91/507696391.db2.gz KZUDISKKHVAHOA-CQSZACIVSA-N 0 3 371.510 3.158 20 30 FGEDHN C[C@H](N[C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473595 507697849 /nfs/dbraw/zinc/69/78/49/507697849.db2.gz WRNWJZSCMFZAIS-JTSKRJEESA-N 0 3 367.468 3.375 20 30 FGEDHN CC(C)CN(Cc1ccccc1Br)C(=O)[C@@H](N)CCCC#N ZINC000602526326 507737897 /nfs/dbraw/zinc/73/78/97/507737897.db2.gz VHCPRWSIYWTYSX-INIZCTEOSA-N 0 3 366.303 3.455 20 30 FGEDHN COCC1(NCC(=O)N(CCC#N)c2cccc(C)c2C)CCCCC1 ZINC000595911122 507738357 /nfs/dbraw/zinc/73/83/57/507738357.db2.gz NJTYZMKMCDITHK-UHFFFAOYSA-N 0 3 357.498 3.489 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000602547801 507745914 /nfs/dbraw/zinc/74/59/14/507745914.db2.gz PEXACTDFEURLMY-PBHICJAKSA-N 0 3 351.441 3.256 20 30 FGEDHN C[C@@H](CCC#N)CNCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000602557134 507747578 /nfs/dbraw/zinc/74/75/78/507747578.db2.gz WEXYKKLCNRIVOV-HNNXBMFYSA-N 0 3 373.478 3.307 20 30 FGEDHN Cc1cc(=NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)[nH]n1CCC#N ZINC000540816695 562593802 /nfs/dbraw/zinc/59/38/02/562593802.db2.gz XXHPWRIUCMEJQL-WMZOPIPTSA-N 0 3 366.469 3.062 20 30 FGEDHN N#Cc1ccc([C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106380 600597205 /nfs/dbraw/zinc/59/72/05/600597205.db2.gz LZTJHKMELIVOMI-CTNGQTDRSA-N 0 3 363.461 3.186 20 30 FGEDHN N#Cc1ccc([C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106380 600597207 /nfs/dbraw/zinc/59/72/07/600597207.db2.gz LZTJHKMELIVOMI-CTNGQTDRSA-N 0 3 363.461 3.186 20 30 FGEDHN CCN(Cc1cc(-c2nn[nH]n2)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000825428091 607518596 /nfs/dbraw/zinc/51/85/96/607518596.db2.gz BEPPYYZNADMWSA-CQSZACIVSA-N 0 3 362.437 3.330 20 30 FGEDHN CCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000114618144 700580716 /nfs/dbraw/zinc/58/07/16/700580716.db2.gz HIZOYFNXDVDURE-LLVKDONJSA-N 0 3 351.193 3.171 20 30 FGEDHN N#Cc1ccc2ncc(CNC[C@H](O)c3c(Cl)cccc3Cl)n2c1 ZINC000124243878 700717096 /nfs/dbraw/zinc/71/70/96/700717096.db2.gz WORBLJIKIMIUQQ-HNNXBMFYSA-N 0 3 361.232 3.336 20 30 FGEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000125202457 700732103 /nfs/dbraw/zinc/73/21/03/700732103.db2.gz KEGXVJMBRJVJGA-ZDUSSCGKSA-N 0 3 371.264 3.178 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000129836636 700792688 /nfs/dbraw/zinc/79/26/88/700792688.db2.gz GLUKKFUXFCXUHN-JSGCOSHPSA-N 0 3 352.381 3.137 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000132662565 700830040 /nfs/dbraw/zinc/83/00/40/700830040.db2.gz IDJLSSGFDYMRKE-SMDDNHRTSA-N 0 3 351.244 3.176 20 30 FGEDHN Cc1cnc(CCN(C)Cn2c(C)nnc2-c2cccc(C#N)c2)s1 ZINC000165184556 705337074 /nfs/dbraw/zinc/33/70/74/705337074.db2.gz SYSBSVSDLFKNCZ-UHFFFAOYSA-N 0 3 352.467 3.022 20 30 FGEDHN N#CCOc1ccc(CNCc2cnc3ccc(Br)cn23)cc1 ZINC000174357725 705500538 /nfs/dbraw/zinc/50/05/38/705500538.db2.gz WAJQGVNMJGLOFY-UHFFFAOYSA-N 0 3 371.238 3.289 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2nc(C)sc2C)cc1Cl ZINC000178707411 705673897 /nfs/dbraw/zinc/67/38/97/705673897.db2.gz NEKBZNHLTUFRRT-NSHDSACASA-N 0 3 363.826 3.383 20 30 FGEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000178980766 705683988 /nfs/dbraw/zinc/68/39/88/705683988.db2.gz FTBWBVRTSUODJF-CQSZACIVSA-N 0 3 357.797 3.483 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(OCC#N)cc1 ZINC000180539807 705746227 /nfs/dbraw/zinc/74/62/27/705746227.db2.gz IKHZZSZHAYOVKY-HUUCEWRRSA-N 0 3 358.463 3.404 20 30 FGEDHN Cc1nc(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000193475329 712892841 /nfs/dbraw/zinc/89/28/41/712892841.db2.gz PLBJBSHGCIYFBH-NSHDSACASA-N 0 3 351.790 3.134 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CC1 ZINC000195005961 713542653 /nfs/dbraw/zinc/54/26/53/713542653.db2.gz XBBJAQCDPXVBJO-UHFFFAOYSA-N 0 3 358.335 3.051 20 30 FGEDHN O=C(NCCN[C@@H]1CCc2c1ccc(Cl)c2Cl)C1N=CC=CC1=O ZINC000255139851 713685730 /nfs/dbraw/zinc/68/57/30/713685730.db2.gz LCPQCLUGKJIUFI-PHODEOQFSA-N 0 3 366.248 3.097 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H](COC)[C@@H]2CCCO2)cc1OC ZINC000623510101 715351062 /nfs/dbraw/zinc/35/10/62/715351062.db2.gz GXZKSNAOYIPPTH-HOTGVXAUSA-N 0 3 355.862 3.197 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccccc2CC(F)(F)F)CC1 ZINC000623635058 715375966 /nfs/dbraw/zinc/37/59/66/715375966.db2.gz RMWLEWBEJZWIOO-UHFFFAOYSA-N 0 3 355.404 3.241 20 30 FGEDHN C=CCOc1c(Cl)cc(CN(C)[C@H](C)CN2CCOCC2)cc1OC ZINC000628254002 716130984 /nfs/dbraw/zinc/13/09/84/716130984.db2.gz HTWBLAKRQCARER-OAHLLOKOSA-N 0 3 368.905 3.066 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000799116662 723988853 /nfs/dbraw/zinc/98/88/53/723988853.db2.gz NYAKEVYDZDFHDT-MRXNPFEDSA-N 0 3 351.491 3.076 20 30 FGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)sc2nccn12 ZINC000780306242 724457251 /nfs/dbraw/zinc/45/72/51/724457251.db2.gz SPNISDSUIWHQET-SNVBAGLBSA-N 0 3 358.810 3.319 20 30 FGEDHN N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC000659391820 719909061 /nfs/dbraw/zinc/90/90/61/719909061.db2.gz IONSWKGXBHQIHR-GHMZBOCLSA-N 0 3 358.257 3.236 20 30 FGEDHN CN(C)c1ccncc1C=NN1C(=S)N=NC1CSc1ccccc1 ZINC000782245764 724643039 /nfs/dbraw/zinc/64/30/39/724643039.db2.gz PGDJEMNVFWBZQX-UHFFFAOYSA-N 0 3 370.507 3.202 20 30 FGEDHN C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc(CN(C)C3CC3)cn1)CCO2 ZINC001164981043 722169683 /nfs/dbraw/zinc/16/96/83/722169683.db2.gz ZWEUQWLILLEGJJ-SIKLNZKXSA-N 0 3 371.525 3.254 20 30 FGEDHN CCC(=O)N[C@H](C)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000729070236 722456817 /nfs/dbraw/zinc/45/68/17/722456817.db2.gz NCDBBTYVBWRMFR-PSASIEDQSA-N 0 3 369.368 3.406 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccccc1O ZINC000732203370 722482340 /nfs/dbraw/zinc/48/23/40/722482340.db2.gz RIWDLISYBFSICI-AWEZNQCLSA-N 0 3 351.431 3.310 20 30 FGEDHN C[C@@H]1CC(=NNC(=S)NCC(F)(F)F)CCN1Cc1ccccc1 ZINC000734296192 722505861 /nfs/dbraw/zinc/50/58/61/722505861.db2.gz OETRQXVBFDWDMF-GFCCVEGCSA-N 0 3 358.433 3.053 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CSCCS1)C(=O)Nc1ccccc1Cl ZINC000752478116 722858807 /nfs/dbraw/zinc/85/88/07/722858807.db2.gz YNMBPRPXKGYZPD-GHMZBOCLSA-N 0 3 354.884 3.226 20 30 FGEDHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000754129291 722929478 /nfs/dbraw/zinc/92/94/78/722929478.db2.gz TWGLTEFQKFMZAU-UHFFFAOYSA-N 0 3 355.869 3.458 20 30 FGEDHN CCc1nnc(C2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)[nH]1 ZINC000792398523 723334516 /nfs/dbraw/zinc/33/45/16/723334516.db2.gz ZTXJFQUYAHCHIP-UHFFFAOYSA-N 0 3 359.861 3.302 20 30 FGEDHN CSC[C@@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000767905490 723639107 /nfs/dbraw/zinc/63/91/07/723639107.db2.gz HIYXMVVTPPQTKI-GJZGRUSLSA-N 0 3 352.463 3.051 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CCC(=O)CC1 ZINC000773979328 723845215 /nfs/dbraw/zinc/84/52/15/723845215.db2.gz ZWYCDSBDNLHPMJ-AWEZNQCLSA-N 0 3 353.205 3.400 20 30 FGEDHN C#C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)C ZINC000799042732 723984253 /nfs/dbraw/zinc/98/42/53/723984253.db2.gz NDHBWBKKWICLFX-FUHWJXTLSA-N 0 3 352.400 3.215 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000776514850 724153827 /nfs/dbraw/zinc/15/38/27/724153827.db2.gz GJODLPZFZBAZPV-BFVZDQMLSA-N 0 3 355.221 3.456 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCC1CN(C(=O)OC(C)(C)C)C1 ZINC000778172166 724306382 /nfs/dbraw/zinc/30/63/82/724306382.db2.gz XQQKUHFUJNCETM-UHFFFAOYSA-N 0 3 364.873 3.309 20 30 FGEDHN C=C(Cl)CN[C@@H](C)C1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788641329 725077919 /nfs/dbraw/zinc/07/79/19/725077919.db2.gz DAMXPLRBWPPEFQ-AWEZNQCLSA-N 0 3 374.909 3.297 20 30 FGEDHN OCCN1CCC(N=Nc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000819808709 728947126 /nfs/dbraw/zinc/94/71/26/728947126.db2.gz RCLBWJHLOHVEQF-UHFFFAOYSA-N 0 3 358.389 3.171 20 30 FGEDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1ccc(C#N)cc1F ZINC000813788255 726914423 /nfs/dbraw/zinc/91/44/23/726914423.db2.gz BIELTODNDMTNLF-GJZGRUSLSA-N 0 3 351.397 3.134 20 30 FGEDHN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000818159215 727297940 /nfs/dbraw/zinc/29/79/40/727297940.db2.gz FHLXYQMHGWSBPG-LSDHHAIUSA-N 0 3 365.909 3.186 20 30 FGEDHN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000818159206 727297947 /nfs/dbraw/zinc/29/79/47/727297947.db2.gz FHLXYQMHGWSBPG-CABCVRRESA-N 0 3 365.909 3.186 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC000818589285 727315476 /nfs/dbraw/zinc/31/54/76/727315476.db2.gz VIQBWJCUFPBGPY-UHFFFAOYSA-N 0 3 363.433 3.082 20 30 FGEDHN C#C[C@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(Br)cc1 ZINC000820616226 729010931 /nfs/dbraw/zinc/01/09/31/729010931.db2.gz GYIAVDVVXYLNHJ-INIZCTEOSA-N 0 3 366.303 3.105 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000821167330 729065445 /nfs/dbraw/zinc/06/54/45/729065445.db2.gz REUHMLUJIPRDRF-QMMMGPOBSA-N 0 3 350.849 3.047 20 30 FGEDHN COc1cccc(N2CC[C@H](CNCc3cc(C#N)cnc3Cl)C2)c1 ZINC000876998931 736173201 /nfs/dbraw/zinc/17/32/01/736173201.db2.gz OOBHUXYUJVMSPS-CQSZACIVSA-N 0 3 356.857 3.231 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000825045760 729368937 /nfs/dbraw/zinc/36/89/37/729368937.db2.gz KSPMGIQMCCTGKR-AUUYWEPGSA-N 0 3 359.857 3.095 20 30 FGEDHN C#CCCN(CCOC)Cc1cc(Br)c(OC)c(OCC)c1 ZINC000827817893 729435448 /nfs/dbraw/zinc/43/54/48/729435448.db2.gz KPVLZHIPQMAURH-UHFFFAOYSA-N 0 3 370.287 3.328 20 30 FGEDHN CC[C@H](C)[C@H](NC(=O)OC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000835388482 729884892 /nfs/dbraw/zinc/88/48/92/729884892.db2.gz SDFRBQJETPNVST-GVXVVHGQSA-N 0 3 351.472 3.388 20 30 FGEDHN COC(=O)c1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844367347 730708600 /nfs/dbraw/zinc/70/86/00/730708600.db2.gz ALFNLXBDVBCHSY-GOSISDBHSA-N 0 3 358.825 3.164 20 30 FGEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H](CC)CO1 ZINC000844388687 730711438 /nfs/dbraw/zinc/71/14/38/730711438.db2.gz VINZYKIGGJETHV-KFWWJZLASA-N 0 3 357.479 3.362 20 30 FGEDHN CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000845825538 730900228 /nfs/dbraw/zinc/90/02/28/730900228.db2.gz MPIFGTJPFZGZLT-UHFFFAOYSA-N 0 3 363.527 3.029 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000848398153 731160591 /nfs/dbraw/zinc/16/05/91/731160591.db2.gz DKZHNYADSGDIOX-MSOLQXFVSA-N 0 3 363.889 3.023 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)[C@@H]2CCCO2)cc1Cl ZINC000850760563 731385549 /nfs/dbraw/zinc/38/55/49/731385549.db2.gz ACUGMIQRVZEGFP-KFNAQCHYSA-N 0 3 364.829 3.201 20 30 FGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000850977564 731408341 /nfs/dbraw/zinc/40/83/41/731408341.db2.gz YTRHJRJJCOCVLC-KBPBESRZSA-N 0 3 353.249 3.294 20 30 FGEDHN C=CCn1c(-c2ccccc2C)nn(CN(C)CC2CN(C)C2)c1=S ZINC000853553243 731722322 /nfs/dbraw/zinc/72/23/22/731722322.db2.gz LOQMUHXVFBQXNU-UHFFFAOYSA-N 0 3 357.527 3.026 20 30 FGEDHN C=CCCSCCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000854231213 731806382 /nfs/dbraw/zinc/80/63/82/731806382.db2.gz CGARBQRCAIIXJC-UHFFFAOYSA-N 0 3 362.543 3.259 20 30 FGEDHN C#CCN(C)CCCNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000861837551 732738553 /nfs/dbraw/zinc/73/85/53/732738553.db2.gz FKLCJPCHTSFOTC-MRXNPFEDSA-N 0 3 371.308 3.124 20 30 FGEDHN C#CC[C@@H](CCOC)[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000862548704 732849337 /nfs/dbraw/zinc/84/93/37/732849337.db2.gz LRKHNDILPDAVAH-ZDUSSCGKSA-N 0 3 356.260 3.071 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000870135816 733815014 /nfs/dbraw/zinc/81/50/14/733815014.db2.gz FEBPZOCKAGCFJS-FDYHWXHSSA-N 0 3 364.829 3.118 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(I)c1 ZINC000876552231 736113068 /nfs/dbraw/zinc/11/30/68/736113068.db2.gz NMTNDJBGHSJINR-LLVKDONJSA-N 0 3 364.614 3.008 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1 ZINC000876581850 736116497 /nfs/dbraw/zinc/11/64/97/736116497.db2.gz FJLZBXLBCVQYDD-INIZCTEOSA-N 0 3 351.878 3.357 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000876695622 736132670 /nfs/dbraw/zinc/13/26/70/736132670.db2.gz CUNCKOYYIGWMQV-RNCFNFMXSA-N 0 3 363.658 3.105 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000876704169 736134574 /nfs/dbraw/zinc/13/45/74/736134574.db2.gz VAPACBGGFPGFKR-DLBZAZTESA-N 0 3 364.898 3.280 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000876751759 736139835 /nfs/dbraw/zinc/13/98/35/736139835.db2.gz XHPAVWXRBDORBA-SFHVURJKSA-N 0 3 361.848 3.262 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000876941038 736165866 /nfs/dbraw/zinc/16/58/66/736165866.db2.gz FZTJXUSDBJHFTR-DZGCQCFKSA-N 0 3 357.281 3.427 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000877005939 736173726 /nfs/dbraw/zinc/17/37/26/736173726.db2.gz CNKNFLNZDHDCBK-YOEHRIQHSA-N 0 3 356.388 3.125 20 30 FGEDHN Cc1sc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)nc1-c1ccccc1 ZINC000884050284 737628167 /nfs/dbraw/zinc/62/81/67/737628167.db2.gz VRBLXBWXPBEYHD-HVEKOLDVSA-N 0 3 352.463 3.196 20 30 FGEDHN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884110253 737634561 /nfs/dbraw/zinc/63/45/61/737634561.db2.gz DLDDWNOEEOQUHM-AJOZBUNDSA-N 0 3 366.292 3.180 20 30 FGEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cccc(Cl)c1Cl ZINC000884144240 737637584 /nfs/dbraw/zinc/63/75/84/737637584.db2.gz FJMUPCIKJBXNOL-KRVINZRLSA-N 0 3 352.265 3.310 20 30 FGEDHN CC(C)[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Cl)cc1F ZINC000884320559 737655222 /nfs/dbraw/zinc/65/52/22/737655222.db2.gz SXOMSWPOPDOOQR-DXJKPRRLSA-N 0 3 363.864 3.432 20 30 FGEDHN C#CCN(C(=O)c1csc(NC2CCCCC2)n1)C1CCN(C)CC1 ZINC000886572319 739271076 /nfs/dbraw/zinc/27/10/76/739271076.db2.gz HYBKLWJZUSHIMJ-UHFFFAOYSA-N 0 3 360.527 3.057 20 30 FGEDHN C#CCC1(NC(=O)NC[C@H](c2ccsc2)N(CC)CC)CCOCC1 ZINC000887701253 739413055 /nfs/dbraw/zinc/41/30/55/739413055.db2.gz QNZIJVLRBFNXIM-QGZVFWFLSA-N 0 3 363.527 3.003 20 30 FGEDHN C[C@H]1CC[C@H](c2nc(CC(=O)C(C#N)C(=O)N3CCCC3)cs2)CC1 ZINC000892457719 740002427 /nfs/dbraw/zinc/00/24/27/740002427.db2.gz MPDSZYFTBGBBMP-IIAWOOMASA-N 0 3 359.495 3.311 20 30 FGEDHN FC(F)C(F)(F)COCCNCc1cnc(CC(F)(F)F)s1 ZINC000894046720 742231508 /nfs/dbraw/zinc/23/15/08/742231508.db2.gz PUBZTLNGNKWPSX-UHFFFAOYSA-N 0 3 354.291 3.255 20 30 FGEDHN C#CCC1(O)CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000895674817 742438857 /nfs/dbraw/zinc/43/88/57/742438857.db2.gz DVPAVMRGZNBBMI-UHFFFAOYSA-N 0 3 362.267 3.075 20 30 FGEDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1nc(C#N)cs1 ZINC000897628764 742697085 /nfs/dbraw/zinc/69/70/85/742697085.db2.gz BTGYANPWQOEDRZ-JSGCOSHPSA-N 0 3 350.488 3.140 20 30 FGEDHN C[C@@H](NC[C@@H](CO)Cc1ccc(Br)cc1)c1cc(C#N)ccn1 ZINC000902972384 743794856 /nfs/dbraw/zinc/79/48/56/743794856.db2.gz DRYFSHYYLARUDM-CJNGLKHVSA-N 0 3 374.282 3.218 20 30 FGEDHN CCCCCCN([O-])C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000904207282 743939044 /nfs/dbraw/zinc/93/90/44/743939044.db2.gz XYMFBPVMPTYAEC-MSOLQXFVSA-N 0 3 350.507 3.032 20 30 FGEDHN CCCCCCN([O-])C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000904207282 743939045 /nfs/dbraw/zinc/93/90/45/743939045.db2.gz XYMFBPVMPTYAEC-MSOLQXFVSA-N 0 3 350.507 3.032 20 30 FGEDHN N#Cc1sccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000906500283 744137446 /nfs/dbraw/zinc/13/74/46/744137446.db2.gz FBVFJIKWKGXHDB-UHFFFAOYSA-N 0 3 353.491 3.400 20 30 FGEDHN Cc1nc(-c2cccs2)c(CC(=O)C(C#N)C(=O)N2CCCC2)s1 ZINC000916866773 758146960 /nfs/dbraw/zinc/14/69/60/758146960.db2.gz GHDOJQWJTZBELZ-GFCCVEGCSA-N 0 3 359.476 3.054 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000916877119 758149811 /nfs/dbraw/zinc/14/98/11/758149811.db2.gz BSRSTRWHYHCGQC-SFNKJDCFSA-N 0 3 350.503 3.479 20 30 FGEDHN C#CCN(C(=O)N[C@H](C)c1c(F)cccc1Cl)C1CCN(C)CC1 ZINC000921308921 758685222 /nfs/dbraw/zinc/68/52/22/758685222.db2.gz QVMNWQNXXCKUMG-CYBMUJFWSA-N 0 3 351.853 3.279 20 30 FGEDHN Cc1nn(C)c(CNC2CCC(Oc3ncccc3C#N)CC2)c1Cl ZINC000922036294 758840101 /nfs/dbraw/zinc/84/01/01/758840101.db2.gz NMPNHIOPJSPMQU-UHFFFAOYSA-N 0 3 359.861 3.128 20 30 FGEDHN C#CCN(C(=O)NCc1ccsc1C(F)(F)F)C1CCN(C)CC1 ZINC000923503715 759134161 /nfs/dbraw/zinc/13/41/61/759134161.db2.gz NKRIYTYYAFGODU-UHFFFAOYSA-N 0 3 359.417 3.006 20 30 FGEDHN CC(C)(C)N1CC[C@@H](NC[C@H](O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000930355728 760586126 /nfs/dbraw/zinc/58/61/26/760586126.db2.gz VPNRFZPDUZXCPM-XYPHTWIQSA-N 0 3 353.869 3.257 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)C2(C#N)CCSCC2)N2CCCC2)cc1 ZINC000931165120 760793170 /nfs/dbraw/zinc/79/31/70/760793170.db2.gz XLRZFHKEKDNKDD-GOSISDBHSA-N 0 3 357.523 3.285 20 30 FGEDHN CCC[C@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945069 761282762 /nfs/dbraw/zinc/28/27/62/761282762.db2.gz QPHWCFXPWHMVBV-XHNCKOQMSA-N 0 3 355.269 3.250 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1 ZINC000961414465 762748506 /nfs/dbraw/zinc/74/85/06/762748506.db2.gz JYHIKZPJNYYKCJ-KBAYOESNSA-N 0 3 354.922 3.257 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972522018 762968282 /nfs/dbraw/zinc/96/82/82/762968282.db2.gz FBDNYOYVOIKJLX-QYZOEREBSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972523800 762968768 /nfs/dbraw/zinc/96/87/68/762968768.db2.gz XOYWZELYHICHQO-FHWLQOOXSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000998803253 765125537 /nfs/dbraw/zinc/12/55/37/765125537.db2.gz UDCOTTQRURVVDC-AKZYDZMLSA-N 0 3 353.304 3.076 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001004546011 765436910 /nfs/dbraw/zinc/43/69/10/765436910.db2.gz HHCSAEPONVAXOZ-TVFCKZIOSA-N 0 3 352.906 3.009 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2c(C)cccc2Cl)C1 ZINC001020726187 765887816 /nfs/dbraw/zinc/88/78/16/765887816.db2.gz DDEKSGXVNKXVLH-FPXQBCRKSA-N 0 3 362.901 3.366 20 30 FGEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001022838568 766032569 /nfs/dbraw/zinc/03/25/69/766032569.db2.gz ROOFBTCHSSBVAR-HCXYKTFWSA-N 0 3 362.901 3.452 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1CCCc1ccsc1 ZINC001024662232 766061616 /nfs/dbraw/zinc/06/16/16/766061616.db2.gz URQAPYQZEQMBHF-QRVBRYPASA-N 0 3 362.539 3.243 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001040881734 766329636 /nfs/dbraw/zinc/32/96/36/766329636.db2.gz RHHXVMNSNBWUHM-IDUOFMCJSA-N 0 3 366.933 3.425 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)s1 ZINC001045211770 766518966 /nfs/dbraw/zinc/51/89/66/766518966.db2.gz QBGHVJGTTIWZFY-IAOVAPTHSA-N 0 3 355.463 3.097 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001045973457 766579543 /nfs/dbraw/zinc/57/95/43/766579543.db2.gz QXMQFAQWQJZSAX-JMECCFTNSA-N 0 3 366.933 3.425 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001054211406 767002853 /nfs/dbraw/zinc/00/28/53/767002853.db2.gz OPAGGZIDGVPAJK-RKVOSZKSSA-N 0 3 352.906 3.035 20 30 FGEDHN N#Cc1ccc(N2CCC(NC3(C(=O)Nc4ccccc4)CC3)CC2)cc1 ZINC000579624158 505589321 /nfs/dbraw/zinc/58/93/21/505589321.db2.gz PKZHHRLDYNFIMD-UHFFFAOYSA-N 0 3 360.461 3.288 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(CC#N)cc1 ZINC000570838201 505592400 /nfs/dbraw/zinc/59/24/00/505592400.db2.gz ADSRBSVDHFHYJK-UHFFFAOYSA-N 0 3 368.456 3.165 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)c2ncc(C#N)cc2C)N(C)C)cc1 ZINC000576856697 505610370 /nfs/dbraw/zinc/61/03/70/505610370.db2.gz LRSMJZVSKOZXDM-QGZVFWFLSA-N 0 3 354.479 3.016 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000573765538 505613968 /nfs/dbraw/zinc/61/39/68/505613968.db2.gz HAPNMYGKSOLLEI-WPUCRFQZSA-N 0 3 361.873 3.332 20 30 FGEDHN C=CCn1c(CC(F)(F)F)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000576874475 505614209 /nfs/dbraw/zinc/61/42/09/505614209.db2.gz RIYQHTGWWFRBLE-UHFFFAOYSA-N 0 3 371.451 3.270 20 30 FGEDHN CN(C)C(=O)C1(CNCc2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000576990860 505640211 /nfs/dbraw/zinc/64/02/11/505640211.db2.gz RRDUGAJJIXXFOJ-UHFFFAOYSA-N 0 3 353.388 3.315 20 30 FGEDHN CC(C)(C)N1CCCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000577030689 505647774 /nfs/dbraw/zinc/64/77/74/505647774.db2.gz KFXPZPFDCNTSJQ-UHFFFAOYSA-N 0 3 364.287 3.267 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000577072335 505658025 /nfs/dbraw/zinc/65/80/25/505658025.db2.gz SKPZLCKDFUSBFK-LEWJYISDSA-N 0 3 360.461 3.090 20 30 FGEDHN CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000568358234 505674513 /nfs/dbraw/zinc/67/45/13/505674513.db2.gz JGHAZDLBWLOGAL-LJQANCHMSA-N 0 3 364.497 3.462 20 30 FGEDHN COCCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000048023896 493774784 /nfs/dbraw/zinc/77/47/84/493774784.db2.gz VKDOCXKGKARAPO-UHFFFAOYSA-N 0 3 361.511 3.328 20 30 FGEDHN CC1CCC(N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CC1 ZINC000075746301 493775342 /nfs/dbraw/zinc/77/53/42/493775342.db2.gz OETDYQSIXPGDCT-UHFFFAOYSA-N 0 3 365.481 3.305 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 ZINC000068454650 493824125 /nfs/dbraw/zinc/82/41/25/493824125.db2.gz CFOBBSKAXVGPCH-INIZCTEOSA-N 0 3 350.249 3.019 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000081124516 493836546 /nfs/dbraw/zinc/83/65/46/493836546.db2.gz LHNMVYKYJDTINT-LJQANCHMSA-N 0 3 365.502 3.383 20 30 FGEDHN CC(=O)c1cccc(OC[C@H](O)CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000058397085 493849235 /nfs/dbraw/zinc/84/92/35/493849235.db2.gz AWZKHDIZCRWURV-OAQYLSRUSA-N 0 3 366.461 3.411 20 30 FGEDHN C=CCOc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1OC ZINC000058491839 493859267 /nfs/dbraw/zinc/85/92/67/493859267.db2.gz IBNYZQZBAMUDFW-UHFFFAOYSA-N 0 3 370.449 3.453 20 30 FGEDHN CCN(C(=O)c1cc(C#N)cn1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000081709266 493944697 /nfs/dbraw/zinc/94/46/97/493944697.db2.gz HJGVLWNIPQZRMY-LPHOPBHVSA-N 0 3 350.466 3.194 20 30 FGEDHN N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000063113861 494029155 /nfs/dbraw/zinc/02/91/55/494029155.db2.gz HLQPHWKDOJFUIW-LJQANCHMSA-N 0 3 361.445 3.104 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000052660693 494050996 /nfs/dbraw/zinc/05/09/96/494050996.db2.gz KBIVPTAYKJBFTL-INIZCTEOSA-N 0 3 371.506 3.440 20 30 FGEDHN N#Cc1cccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000053049325 494087219 /nfs/dbraw/zinc/08/72/19/494087219.db2.gz YVCLYBNPYIUGOO-UHFFFAOYSA-N 0 3 351.425 3.226 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000077457042 494087511 /nfs/dbraw/zinc/08/75/11/494087511.db2.gz BSJGLQUJEAUXKP-IRXDYDNUSA-N 0 3 367.511 3.096 20 30 FGEDHN COc1ccc(CN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C2CC2)cc1 ZINC000053097950 494093180 /nfs/dbraw/zinc/09/31/80/494093180.db2.gz DBPBWCDPJONWSM-KKSFZXQISA-N 0 3 357.498 3.350 20 30 FGEDHN COc1ccc(CNc2cccc(CN3CCC(CO)CC3)c2)cc1C#N ZINC000086258066 494146843 /nfs/dbraw/zinc/14/68/43/494146843.db2.gz BWFNEQHYUDFIEB-UHFFFAOYSA-N 0 3 365.477 3.383 20 30 FGEDHN CC(=O)NCc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041554516 494167282 /nfs/dbraw/zinc/16/72/82/494167282.db2.gz QYBRRWXVIVJUPG-HNNXBMFYSA-N 0 3 361.323 3.227 20 30 FGEDHN C=CCOc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000053992858 494182500 /nfs/dbraw/zinc/18/25/00/494182500.db2.gz XXDYSKZIBGDFIS-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN CCN(C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340459 494221881 /nfs/dbraw/zinc/22/18/81/494221881.db2.gz BEZMUASPSRIQMU-UWJYYQICSA-N 0 3 363.461 3.447 20 30 FGEDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000054425569 494234977 /nfs/dbraw/zinc/23/49/77/494234977.db2.gz DVKOIWXDPJROEX-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN C[C@@H](Cc1ccccc1F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000078121377 494236976 /nfs/dbraw/zinc/23/69/76/494236976.db2.gz JGKQDHDSMDKRHT-KRWDZBQOSA-N 0 3 367.468 3.466 20 30 FGEDHN Cc1sc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000065930612 494257139 /nfs/dbraw/zinc/25/71/39/494257139.db2.gz RRZYWFUBZJDCRG-UHFFFAOYSA-N 0 3 372.450 3.040 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000577352479 505710694 /nfs/dbraw/zinc/71/06/94/505710694.db2.gz XXIYEWAOVHLRFW-MDNKFWRPSA-N 0 3 357.498 3.072 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)N(C)C)cc1 ZINC000089593426 494327903 /nfs/dbraw/zinc/32/79/03/494327903.db2.gz OEZJNNSAZFTTTE-OAQYLSRUSA-N 0 3 365.477 3.113 20 30 FGEDHN CCn1nc2c(cc1=O)CN(Cc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000078618110 494331936 /nfs/dbraw/zinc/33/19/36/494331936.db2.gz HDTFTXMPGSCRTI-UHFFFAOYSA-N 0 3 370.456 3.360 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)NCC#Cc2ccccc2)CC1 ZINC000045431636 494428606 /nfs/dbraw/zinc/42/86/06/494428606.db2.gz CAFDJKKSZAEZDA-UHFFFAOYSA-N 0 3 361.489 3.310 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CC1 ZINC000074132566 494485968 /nfs/dbraw/zinc/48/59/68/494485968.db2.gz UYKQTSOVTBDIBR-AWEZNQCLSA-N 0 3 369.918 3.135 20 30 FGEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000577430094 505724874 /nfs/dbraw/zinc/72/48/74/505724874.db2.gz ZQLUOWILAMLXTK-ZIAGYGMSSA-N 0 3 360.401 3.022 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000056638884 494540792 /nfs/dbraw/zinc/54/07/92/494540792.db2.gz PRFWUMWCOHJSSS-UHFFFAOYSA-N 0 3 372.513 3.188 20 30 FGEDHN CNC(=O)c1ccc(CN(C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000121154102 494620938 /nfs/dbraw/zinc/62/09/38/494620938.db2.gz QPMNSBYITGGOAD-UHFFFAOYSA-N 0 3 351.450 3.361 20 30 FGEDHN CN(C)C(=O)C(C)(C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000108422622 494702833 /nfs/dbraw/zinc/70/28/33/494702833.db2.gz XIPUQOWRRGZUAI-UHFFFAOYSA-N 0 3 351.450 3.094 20 30 FGEDHN C=CCOc1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1OC ZINC000092662000 494702819 /nfs/dbraw/zinc/70/28/19/494702819.db2.gz KUXRAJUYCNKSSR-LJQANCHMSA-N 0 3 361.482 3.420 20 30 FGEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000092734355 494731386 /nfs/dbraw/zinc/73/13/86/494731386.db2.gz BRRIVPCJUDYIDP-GOSISDBHSA-N 0 3 373.497 3.116 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000116216507 494734520 /nfs/dbraw/zinc/73/45/20/494734520.db2.gz UWNARIDJRSNVJO-KRWDZBQOSA-N 0 3 362.477 3.312 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000109290530 494855307 /nfs/dbraw/zinc/85/53/07/494855307.db2.gz KXPRLLDNOJJTEA-YLJYHZDGSA-N 0 3 357.498 3.198 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN(C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000027207937 494856871 /nfs/dbraw/zinc/85/68/71/494856871.db2.gz ZUPKVGNQCQYOEU-HXUWFJFHSA-N 0 3 366.461 3.167 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000093302182 494863762 /nfs/dbraw/zinc/86/37/62/494863762.db2.gz RJYXQESZAVNUPA-UHFFFAOYSA-N 0 3 356.405 3.024 20 30 FGEDHN COc1cc(CN2CCCC[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000116877271 494864855 /nfs/dbraw/zinc/86/48/55/494864855.db2.gz UEVFJBPAFKJKDG-HXUWFJFHSA-N 0 3 366.461 3.493 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000126954890 494868047 /nfs/dbraw/zinc/86/80/47/494868047.db2.gz XFFMAXMOFOAUQH-RTBURBONSA-N 0 3 350.418 3.200 20 30 FGEDHN C=CC[C@@H](C)N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000116907813 494869418 /nfs/dbraw/zinc/86/94/18/494869418.db2.gz ISZADNWUZHDWFU-FOIQADDNSA-N 0 3 352.434 3.327 20 30 FGEDHN N#Cc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)[nH]1 ZINC000127579245 494965026 /nfs/dbraw/zinc/96/50/26/494965026.db2.gz YEHRLJXFFYGBGH-UHFFFAOYSA-N 0 3 356.857 3.278 20 30 FGEDHN N#Cc1ccc(OCCNCc2c[nH]nc2-c2c(F)cccc2F)cc1 ZINC000133126925 494973631 /nfs/dbraw/zinc/97/36/31/494973631.db2.gz KLMDZYJZEOGYEK-UHFFFAOYSA-N 0 3 354.360 3.395 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(NC(=O)N(C)C)c1)C(C)C ZINC000122443098 494975584 /nfs/dbraw/zinc/97/55/84/494975584.db2.gz OKYDSNNTLVXMOT-IBGZPJMESA-N 0 3 372.513 3.209 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000133466054 495017258 /nfs/dbraw/zinc/01/72/58/495017258.db2.gz JANGDVCPILCGPP-SFTDATJTSA-N 0 3 365.477 3.069 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2CCCC[C@@H]2n2cccn2)c(C#N)c1C ZINC000127995468 495028156 /nfs/dbraw/zinc/02/81/56/495028156.db2.gz SRROEWPLJVSNJB-CVEARBPZSA-N 0 3 357.483 3.145 20 30 FGEDHN O=C(CN1CCC2(CCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000122818451 495036213 /nfs/dbraw/zinc/03/62/13/495036213.db2.gz FAPXRYIXGHAIPT-UHFFFAOYSA-N 0 3 350.384 3.049 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000133697992 495048603 /nfs/dbraw/zinc/04/86/03/495048603.db2.gz NABJMLXFBFDODV-BBRMVZONSA-N 0 3 362.376 3.250 20 30 FGEDHN C=CC1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000111257423 495055496 /nfs/dbraw/zinc/05/54/96/495055496.db2.gz AAURHHNAVVLPLI-UHFFFAOYSA-N 0 3 359.539 3.072 20 30 FGEDHN COc1c(C)cc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1C ZINC000101566283 495079662 /nfs/dbraw/zinc/07/96/62/495079662.db2.gz BCFVARBINAVWHY-IBGZPJMESA-N 0 3 354.450 3.055 20 30 FGEDHN CCC(CC)(CCO)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000574382178 505760438 /nfs/dbraw/zinc/76/04/38/505760438.db2.gz RCGVEWHVDIJXSO-UHFFFAOYSA-N 0 3 363.527 3.358 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)CCN1C ZINC000123248356 495102552 /nfs/dbraw/zinc/10/25/52/495102552.db2.gz RQCOTPVDFYSJHW-MAUKXSAKSA-N 0 3 367.449 3.285 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCN1CCOC ZINC000111867245 495122976 /nfs/dbraw/zinc/12/29/76/495122976.db2.gz GJEFUMILVIJKIN-AWEZNQCLSA-N 0 3 371.934 3.210 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)CC1 ZINC000119281887 495133086 /nfs/dbraw/zinc/13/30/86/495133086.db2.gz LYXXIZORLAQXMZ-UHFFFAOYSA-N 0 3 371.525 3.233 20 30 FGEDHN N#Cc1ccnc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000571591699 505767506 /nfs/dbraw/zinc/76/75/06/505767506.db2.gz NQDVBZUCWBOFLL-UHFFFAOYSA-N 0 3 350.422 3.070 20 30 FGEDHN C[C@@H]1CCC[C@H](OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000112632196 495215055 /nfs/dbraw/zinc/21/50/55/495215055.db2.gz QMKVWUPQHVHYRQ-XLIONFOSSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@H]1CCC[C@@H](OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000112632202 495215288 /nfs/dbraw/zinc/21/52/88/495215288.db2.gz QMKVWUPQHVHYRQ-FXAWDEMLSA-N 0 3 357.498 3.044 20 30 FGEDHN CN(C(=O)CCN1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000134985856 495234408 /nfs/dbraw/zinc/23/44/08/495234408.db2.gz JAGLGXKAHAGJJQ-UHFFFAOYSA-N 0 3 362.477 3.123 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)c(NC(C)=O)c1)C(C)C ZINC000112919950 495258208 /nfs/dbraw/zinc/25/82/08/495258208.db2.gz NCUYRXMNASNJCO-FQEVSTJZSA-N 0 3 357.498 3.382 20 30 FGEDHN N#CCCn1cc(CNC[C@H](O)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000113337568 495297962 /nfs/dbraw/zinc/29/79/62/495297962.db2.gz QIBNLBHYUYUCJE-OAQYLSRUSA-N 0 3 360.461 3.157 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)CC1 ZINC000136212335 495364776 /nfs/dbraw/zinc/36/47/76/495364776.db2.gz HXQSVNQNUIFDDX-UZLBHIALSA-N 0 3 357.498 3.061 20 30 FGEDHN COc1ccc(CNC[C@](C)(O)c2ccccc2)cc1OCCCC#N ZINC000114508111 495387069 /nfs/dbraw/zinc/38/70/69/495387069.db2.gz QWFQLYYBLBQKJZ-NRFANRHFSA-N 0 3 354.450 3.375 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)CC1 ZINC000106035443 495406358 /nfs/dbraw/zinc/40/63/58/495406358.db2.gz UJPOXFKXCPCAQY-UHFFFAOYSA-N 0 3 366.509 3.319 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000106038817 495407057 /nfs/dbraw/zinc/40/70/57/495407057.db2.gz FZSJCMKDYFJEPK-UHFFFAOYSA-N 0 3 366.509 3.188 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114791748 495425066 /nfs/dbraw/zinc/42/50/66/495425066.db2.gz BJJRFRUIURTQPN-OAQYLSRUSA-N 0 3 362.477 3.364 20 30 FGEDHN COc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1OCCCC#N ZINC000120639820 495425175 /nfs/dbraw/zinc/42/51/75/495425175.db2.gz QIBPDUYBPOSCFA-SFHVURJKSA-N 0 3 366.465 3.141 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)Cc2ccccc2OC)CC1 ZINC000106339230 495446590 /nfs/dbraw/zinc/44/65/90/495446590.db2.gz YLPLBEWMWFMGRN-UHFFFAOYSA-N 0 3 359.514 3.356 20 30 FGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131274603 495515729 /nfs/dbraw/zinc/51/57/29/495515729.db2.gz ZVLNZQVYEZBWCJ-IPELMVKDSA-N 0 3 373.497 3.217 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNCCOC[C@H]2CCCO2)c1 ZINC000115625748 495521389 /nfs/dbraw/zinc/52/13/89/495521389.db2.gz HPCIPGCJTVINLY-JOCHJYFZSA-N 0 3 366.461 3.422 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCOC[C@@H]3CCCO3)c2)c1 ZINC000115625354 495521412 /nfs/dbraw/zinc/52/14/12/495521412.db2.gz KCVMPWZBPACQLI-QFIPXVFZSA-N 0 3 366.461 3.422 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1C#N ZINC000107601511 495529424 /nfs/dbraw/zinc/52/94/24/495529424.db2.gz UNYOAYQTEFVTSI-HNNXBMFYSA-N 0 3 370.522 3.253 20 30 FGEDHN Cn1cc(C[C@@H]2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)cn1 ZINC000154224373 495549968 /nfs/dbraw/zinc/54/99/68/495549968.db2.gz GUHBBLQHTZDMQK-INIZCTEOSA-N 0 3 363.383 3.235 20 30 FGEDHN COc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000577765992 505788946 /nfs/dbraw/zinc/78/89/46/505788946.db2.gz QXOFCVHEAOYDHK-NHCUHLMSSA-N 0 3 366.461 3.395 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1)CC(F)(F)F ZINC000154277444 495566198 /nfs/dbraw/zinc/56/61/98/495566198.db2.gz WVTKNQWOKGBQIZ-OAHLLOKOSA-N 0 3 355.404 3.273 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](N3CCCC3)C2)ccc1Cl ZINC000170744222 495586634 /nfs/dbraw/zinc/58/66/34/495586634.db2.gz DKOZOLFPVWFNJI-SFHVURJKSA-N 0 3 374.916 3.065 20 30 FGEDHN COC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c(C#N)n1 ZINC000571701644 505794051 /nfs/dbraw/zinc/79/40/51/505794051.db2.gz QBHUTLVIDGYIIR-UGSOOPFHSA-N 0 3 370.478 3.296 20 30 FGEDHN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1COc2ccccc21 ZINC000185594024 495636505 /nfs/dbraw/zinc/63/65/05/495636505.db2.gz JHUOPIMNIXBWDB-BLLLJJGKSA-N 0 3 355.825 3.304 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000170934871 495658357 /nfs/dbraw/zinc/65/83/57/495658357.db2.gz NFNZQWWLACUYPE-QGZVFWFLSA-N 0 3 372.469 3.395 20 30 FGEDHN Cn1cc(CN2CCCN(c3ccccc3C#N)CC2)c(C(C)(C)C)n1 ZINC000179752919 495718207 /nfs/dbraw/zinc/71/82/07/495718207.db2.gz SXPTUTUHUXOVIT-UHFFFAOYSA-N 0 3 351.498 3.302 20 30 FGEDHN COCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000154892433 495763608 /nfs/dbraw/zinc/76/36/08/495763608.db2.gz IOHAJAMSXHKRSI-UHFFFAOYSA-N 0 3 372.444 3.058 20 30 FGEDHN COc1ccccc1C[C@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000185890213 495767362 /nfs/dbraw/zinc/76/73/62/495767362.db2.gz NDFJLIHYFBSHDB-INIZCTEOSA-N 0 3 357.479 3.424 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000173976133 495771219 /nfs/dbraw/zinc/77/12/19/495771219.db2.gz DPARGMZFARHNPM-UHFFFAOYSA-N 0 3 356.239 3.360 20 30 FGEDHN N#Cc1cccnc1-n1cc(NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000186025961 495826191 /nfs/dbraw/zinc/82/61/91/495826191.db2.gz GZGQDWRBIWEYDB-UHFFFAOYSA-N 0 3 358.449 3.215 20 30 FGEDHN CC[C@H]1Oc2cc([C@H](C)NCCOc3ccccc3C#N)ccc2NC1=O ZINC000180032006 495830296 /nfs/dbraw/zinc/83/02/96/495830296.db2.gz DRVYMJFZCAJONU-KBXCAEBGSA-N 0 3 365.433 3.397 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC(=O)NCc1cccs1)c1ccccc1 ZINC000180045852 495835568 /nfs/dbraw/zinc/83/55/68/495835568.db2.gz YJLZKOABANAHQK-KRWDZBQOSA-N 0 3 357.479 3.371 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)CC1 ZINC000180062301 495841262 /nfs/dbraw/zinc/84/12/62/495841262.db2.gz GEJSWVSEEYYRGE-UHFFFAOYSA-N 0 3 353.470 3.261 20 30 FGEDHN N#Cc1ccc(CNC[C@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000176958284 495857462 /nfs/dbraw/zinc/85/74/62/495857462.db2.gz MULXZDGEGATJDU-GOSISDBHSA-N 0 3 361.898 3.436 20 30 FGEDHN CCCC[C@H](NCCOc1ccc(C#N)cc1)C(=O)Nc1cc(C)on1 ZINC000174211329 495865288 /nfs/dbraw/zinc/86/52/88/495865288.db2.gz XMCWAOOJWBBULJ-KRWDZBQOSA-N 0 3 356.426 3.021 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174249140 495881599 /nfs/dbraw/zinc/88/15/99/495881599.db2.gz WBCPZBQFNJGOCZ-UHFFFAOYSA-N 0 3 367.405 3.389 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)N(C)C)cc1 ZINC000171485522 495897150 /nfs/dbraw/zinc/89/71/50/495897150.db2.gz DUQSSYBDQOWVKP-LJQANCHMSA-N 0 3 354.429 3.108 20 30 FGEDHN COc1ccc(CN2CCC[C@H](C3(C)OCCO3)C2)cc1OCCCC#N ZINC000183244881 495897360 /nfs/dbraw/zinc/89/73/60/495897360.db2.gz BEBJPWSMOLJGDH-SFHVURJKSA-N 0 3 374.481 3.353 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000151688313 495919433 /nfs/dbraw/zinc/91/94/33/495919433.db2.gz OGZMATVBJXIRAS-INIZCTEOSA-N 0 3 355.388 3.231 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)CC1 ZINC000171580751 495934420 /nfs/dbraw/zinc/93/44/20/495934420.db2.gz OTUPOFMQHVGOEU-UHFFFAOYSA-N 0 3 372.513 3.331 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](c3cc[nH]n3)C1)CCC2 ZINC000171630612 495956340 /nfs/dbraw/zinc/95/63/40/495956340.db2.gz VVPWISPCCJVNRK-CYBMUJFWSA-N 0 3 369.494 3.040 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3ncccn3)cc2C)CC1 ZINC000171636994 495959732 /nfs/dbraw/zinc/95/97/32/495959732.db2.gz WZXQAWIAQNIHLF-UHFFFAOYSA-N 0 3 367.453 3.349 20 30 FGEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000151887990 495983058 /nfs/dbraw/zinc/98/30/58/495983058.db2.gz WJUGWUNISHGORX-HZPDHXFCSA-N 0 3 372.490 3.019 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-][C@H]2CCCC[C@@H]2C)c1 ZINC000151927087 495994930 /nfs/dbraw/zinc/99/49/30/495994930.db2.gz DTXYPTVBCNXUQN-RDJZCZTQSA-O 0 3 371.530 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2ccc3ccccc3c2)CC1 ZINC000171704860 495996834 /nfs/dbraw/zinc/99/68/34/495996834.db2.gz ZCNMONMOPGNBJX-UHFFFAOYSA-N 0 3 353.466 3.168 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000171718288 496005020 /nfs/dbraw/zinc/00/50/20/496005020.db2.gz FBVFIDOJUUUFGA-UHFFFAOYSA-N 0 3 350.466 3.230 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2SCc2nc(C)no2)CC1 ZINC000171719895 496005856 /nfs/dbraw/zinc/00/58/56/496005856.db2.gz KELKSZMJTXQVRC-UHFFFAOYSA-N 0 3 372.494 3.051 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000171738727 496014754 /nfs/dbraw/zinc/01/47/54/496014754.db2.gz RDUNLMBSICSBLI-CYBMUJFWSA-N 0 3 350.532 3.451 20 30 FGEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3cccnc3)n2)cc1 ZINC000155646178 496024584 /nfs/dbraw/zinc/02/45/84/496024584.db2.gz PAKIIOGBTIJJIG-HNNXBMFYSA-N 0 3 350.403 3.460 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180767642 496138741 /nfs/dbraw/zinc/13/87/41/496138741.db2.gz YBOSLWULKUGTMO-UHFFFAOYSA-N 0 3 372.472 3.317 20 30 FGEDHN COc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)cc1OCCCC#N ZINC000172069005 496151673 /nfs/dbraw/zinc/15/16/73/496151673.db2.gz KFPHCEZEZJRSKS-RXVVDRJESA-N 0 3 352.434 3.126 20 30 FGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000180850188 496170857 /nfs/dbraw/zinc/17/08/57/496170857.db2.gz AAGCVANEZJNRKD-INIZCTEOSA-N 0 3 359.433 3.423 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000152518381 496176139 /nfs/dbraw/zinc/17/61/39/496176139.db2.gz QETSVEHSHGGQJY-APWZRJJASA-N 0 3 355.482 3.248 20 30 FGEDHN CC[C@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000184007848 496198089 /nfs/dbraw/zinc/19/80/89/496198089.db2.gz IJKTWEHBOPPLAS-IBGZPJMESA-N 0 3 362.477 3.488 20 30 FGEDHN C[C@H](NC(=O)CSc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000187256628 496364209 /nfs/dbraw/zinc/36/42/09/496364209.db2.gz KMJGAXXVWZZOJA-YWZLYKJASA-N 0 3 353.491 3.458 20 30 FGEDHN COCCN(C)CCCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000181360859 496366839 /nfs/dbraw/zinc/36/68/39/496366839.db2.gz KHNWCKXLDRWBNE-UHFFFAOYSA-N 0 3 367.449 3.049 20 30 FGEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nccs1 ZINC000162683163 496396130 /nfs/dbraw/zinc/39/61/30/496396130.db2.gz VHTCPLBABULISY-QGZVFWFLSA-N 0 3 371.510 3.239 20 30 FGEDHN Cc1ccc(OC2CCN(CCC(=O)Nc3sccc3C#N)CC2)nc1 ZINC000181548527 496440976 /nfs/dbraw/zinc/44/09/76/496440976.db2.gz XTLJQVOQIMJWPQ-UHFFFAOYSA-N 0 3 370.478 3.195 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)cc1Cl ZINC000178449354 496461267 /nfs/dbraw/zinc/46/12/67/496461267.db2.gz UAGMJDZKNOZUAB-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN CN(CCOCCN(C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000178593837 496509621 /nfs/dbraw/zinc/50/96/21/496509621.db2.gz GBJPBHTYXIKOMY-UHFFFAOYSA-N 0 3 362.477 3.010 20 30 FGEDHN Cc1cccc(C)c1NCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000173128003 496560241 /nfs/dbraw/zinc/56/02/41/496560241.db2.gz XQAHWPAPOPIORA-UHFFFAOYSA-N 0 3 364.493 3.177 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000173197802 496588966 /nfs/dbraw/zinc/58/89/66/496588966.db2.gz ZCANAXNIOXNVLS-AWEZNQCLSA-N 0 3 351.878 3.057 20 30 FGEDHN Cc1cccc(C)c1OCCCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000574803242 505858917 /nfs/dbraw/zinc/85/89/17/505858917.db2.gz KRXNLCBBBCMRAX-UHFFFAOYSA-N 0 3 372.490 3.008 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000179172082 496700361 /nfs/dbraw/zinc/70/03/61/496700361.db2.gz OIYBUAMDBQDVIS-GOSISDBHSA-N 0 3 363.889 3.153 20 30 FGEDHN CC(C)OCCCNC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000188244238 496722306 /nfs/dbraw/zinc/72/23/06/496722306.db2.gz JJQXPYLVGZIFNA-KRWDZBQOSA-N 0 3 357.498 3.263 20 30 FGEDHN COc1ccc(COC[C@H](O)CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957055 496773464 /nfs/dbraw/zinc/77/34/64/496773464.db2.gz LVOKJCKCPHUXIT-OAQYLSRUSA-N 0 3 366.461 3.109 20 30 FGEDHN N#Cc1ccc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000263991659 496783358 /nfs/dbraw/zinc/78/33/58/496783358.db2.gz HBRQXRQXCARWFM-UHFFFAOYSA-N 0 3 365.502 3.431 20 30 FGEDHN COC[C@@H](Cc1ccccc1)N(C)CCOc1ccc(C#N)cc1OC ZINC000191512054 496792095 /nfs/dbraw/zinc/79/20/95/496792095.db2.gz GJSIUNAOBPRXID-LJQANCHMSA-N 0 3 354.450 3.135 20 30 FGEDHN CCOC(=O)c1csc(CCN[C@H](C)c2ccc(OCC#N)cc2)n1 ZINC000191557763 496810464 /nfs/dbraw/zinc/81/04/64/496810464.db2.gz QYYZPHAONBQFBQ-CYBMUJFWSA-N 0 3 359.451 3.115 20 30 FGEDHN COc1cccc(OCCN2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000277567977 496814999 /nfs/dbraw/zinc/81/49/99/496814999.db2.gz BBYAUIAIQZGKIZ-UHFFFAOYSA-N 0 3 359.514 3.412 20 30 FGEDHN C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000569173373 505868814 /nfs/dbraw/zinc/86/88/14/505868814.db2.gz QKZLXMVLLHRUPG-IBGZPJMESA-N 0 3 351.498 3.442 20 30 FGEDHN Cc1cc(C#N)ccc1-c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000273808292 496915390 /nfs/dbraw/zinc/91/53/90/496915390.db2.gz IHVAEGLGZHOPCX-UHFFFAOYSA-N 0 3 374.448 3.121 20 30 FGEDHN COCCN(C)CCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000264533150 496921795 /nfs/dbraw/zinc/92/17/95/496921795.db2.gz KSNPWNODNKJVOY-HNNXBMFYSA-N 0 3 364.515 3.028 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000572032512 505873712 /nfs/dbraw/zinc/87/37/12/505873712.db2.gz ALWOYCUXEIDHOG-GGPKGHCWSA-N 0 3 371.525 3.189 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)c3ccccc3C#N)cc2)CC1 ZINC000269802837 497005184 /nfs/dbraw/zinc/00/51/84/497005184.db2.gz DMQNMPUPFNAKKC-UHFFFAOYSA-N 0 3 362.477 3.365 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000192150811 497013264 /nfs/dbraw/zinc/01/32/64/497013264.db2.gz LQZWADLAZTXJLW-CQSZACIVSA-N 0 3 367.424 3.206 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000189128356 497017143 /nfs/dbraw/zinc/01/71/43/497017143.db2.gz NIHBFRLVMQIGCD-UHFFFAOYSA-N 0 3 374.229 3.499 20 30 FGEDHN CC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCO1 ZINC000248630287 497064226 /nfs/dbraw/zinc/06/42/26/497064226.db2.gz WFFCZSYKCPWPPP-HLLBOEOZSA-N 0 3 361.511 3.424 20 30 FGEDHN N#C[C@]1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCc2ccccc2C1 ZINC000274435255 497096898 /nfs/dbraw/zinc/09/68/98/497096898.db2.gz CJLRBZNKAIQTHU-DEOSSOPVSA-N 0 3 373.500 3.466 20 30 FGEDHN CC1(C)COc2c1cccc2C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000580989730 505884590 /nfs/dbraw/zinc/88/45/90/505884590.db2.gz XUDXJUQIYYAFTP-AWEZNQCLSA-N 0 3 350.422 3.165 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000248884694 497126092 /nfs/dbraw/zinc/12/60/92/497126092.db2.gz GZSMJJJUKYLCLJ-QFBILLFUSA-N 0 3 371.525 3.276 20 30 FGEDHN COc1cc(C)cc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278550149 497151143 /nfs/dbraw/zinc/15/11/43/497151143.db2.gz BIPOLZXSAWBOCN-UHFFFAOYSA-N 0 3 361.449 3.466 20 30 FGEDHN COc1ccc(CNCC2(CO)CC3(CCC3)C2)cc1OCCCC#N ZINC000278731384 497202991 /nfs/dbraw/zinc/20/29/91/497202991.db2.gz UKZUTUYVFSUQRK-UHFFFAOYSA-N 0 3 358.482 3.410 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000278772262 497216056 /nfs/dbraw/zinc/21/60/56/497216056.db2.gz GUQHTANKKWYILJ-IYBDPMFKSA-N 0 3 373.472 3.049 20 30 FGEDHN CCCOc1cc(C)ccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000578232603 505894077 /nfs/dbraw/zinc/89/40/77/505894077.db2.gz ZJONHRXVKQRWLW-LJQANCHMSA-N 0 3 354.450 3.185 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000249821837 497249646 /nfs/dbraw/zinc/24/96/46/497249646.db2.gz GXZNXRDOSCRJND-DLBZAZTESA-N 0 3 374.485 3.413 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000189911349 497289937 /nfs/dbraw/zinc/28/99/37/497289937.db2.gz KUZCGXQRBVTEAK-FGZHOGPDSA-N 0 3 369.553 3.365 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCc3nnc4n3CCC4)c2)c1 ZINC000237853912 497302726 /nfs/dbraw/zinc/30/27/26/497302726.db2.gz DUZRUYNZHGJYQA-UHFFFAOYSA-N 0 3 373.460 3.007 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1OC ZINC000275691319 497404883 /nfs/dbraw/zinc/40/48/83/497404883.db2.gz WZLAZJUSERUAQQ-FXAWDEMLSA-N 0 3 357.454 3.003 20 30 FGEDHN CN1CCC(Nc2ccccc2NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000279349677 497414430 /nfs/dbraw/zinc/41/44/30/497414430.db2.gz FGZBHHKLLKEOON-UHFFFAOYSA-N 0 3 352.413 3.456 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000245501474 497431674 /nfs/dbraw/zinc/43/16/74/497431674.db2.gz CVMFWJLAURMSGF-SJLPKXTDSA-N 0 3 361.449 3.400 20 30 FGEDHN N#CCCn1cc(CN2CCCC3(CCOCC3)C2)c(-c2ccncc2)n1 ZINC000279416755 497433930 /nfs/dbraw/zinc/43/39/30/497433930.db2.gz ONIIUQMMKARYEC-UHFFFAOYSA-N 0 3 365.481 3.251 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000275832020 497443161 /nfs/dbraw/zinc/44/31/61/497443161.db2.gz SOCGLSBHOLXTDA-VQIMIIECSA-N 0 3 350.528 3.305 20 30 FGEDHN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000271827300 497462106 /nfs/dbraw/zinc/46/21/06/497462106.db2.gz DGYUGKIWIZABAD-KRWDZBQOSA-N 0 3 362.477 3.078 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000279585199 497479472 /nfs/dbraw/zinc/47/94/72/497479472.db2.gz QVFSQSFNSDDXCX-TYCQWZJGSA-N 0 3 359.429 3.229 20 30 FGEDHN CC(C)[C@@H](O)C1(CNCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271973958 497501452 /nfs/dbraw/zinc/50/14/52/497501452.db2.gz IIVYMAABYMKFFE-HXUWFJFHSA-N 0 3 352.482 3.350 20 30 FGEDHN C=CCOCCCC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267202331 497501541 /nfs/dbraw/zinc/50/15/41/497501541.db2.gz DMKVCDLMOKJZIS-UHFFFAOYSA-N 0 3 374.525 3.157 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(CC)CC ZINC000190611065 497545724 /nfs/dbraw/zinc/54/57/24/497545724.db2.gz ONXSWTPBNGASKM-HSALFYBXSA-N 0 3 369.509 3.233 20 30 FGEDHN C[C@@H](Cc1ccccc1F)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190623077 497549492 /nfs/dbraw/zinc/54/94/92/497549492.db2.gz ONHZBEUXOAHNDC-MGPUTAFESA-N 0 3 351.425 3.019 20 30 FGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC#N)cc1 ZINC000272233390 497572388 /nfs/dbraw/zinc/57/23/88/497572388.db2.gz RSHZMMDIGONGCE-KKSFZXQISA-N 0 3 374.444 3.307 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279897376 497580885 /nfs/dbraw/zinc/58/08/85/497580885.db2.gz ZMPSGANTPQIWBQ-CQSZACIVSA-N 0 3 352.438 3.016 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@H]2C1 ZINC000272411085 497621486 /nfs/dbraw/zinc/62/14/86/497621486.db2.gz KUOMFYWWOIWMOW-RXVVDRJESA-N 0 3 360.461 3.039 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC(C)(C#N)CC1 ZINC000272608372 497677796 /nfs/dbraw/zinc/67/77/96/497677796.db2.gz RXCCKIFREMYKSS-UHFFFAOYSA-N 0 3 365.481 3.443 20 30 FGEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000194502262 497688356 /nfs/dbraw/zinc/68/83/56/497688356.db2.gz SACQBEQAALILMX-AEFFLSMTSA-N 0 3 358.482 3.072 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000272666136 497695384 /nfs/dbraw/zinc/69/53/84/497695384.db2.gz IZJCTPSQBIUIEP-WMZOPIPTSA-N 0 3 364.449 3.373 20 30 FGEDHN C#CCNC(=O)c1cccc(-c2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000276949852 497696301 /nfs/dbraw/zinc/69/63/01/497696301.db2.gz QQEDHLAIJNCZBE-QLFBSQMISA-N 0 3 352.438 3.033 20 30 FGEDHN CC(C)[C@@H]1C[C@@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272694107 497704129 /nfs/dbraw/zinc/70/41/29/497704129.db2.gz DXHNTNBILKMXGS-SFTDATJTSA-N 0 3 371.525 3.290 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000578368852 505924423 /nfs/dbraw/zinc/92/44/23/505924423.db2.gz IIRRPWHGEQZNCO-GJZGRUSLSA-N 0 3 374.554 3.242 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(N(C)CCOC)nc1 ZINC000191240253 497753639 /nfs/dbraw/zinc/75/36/39/497753639.db2.gz ZXJPOJQZLRZYKB-UHFFFAOYSA-N 0 3 352.482 3.448 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000280468680 497762939 /nfs/dbraw/zinc/76/29/39/497762939.db2.gz TUNXPAVOHDKLIG-NIKGAXFTSA-N 0 3 365.458 3.291 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2OCC2CC2)cc1 ZINC000280548317 497786935 /nfs/dbraw/zinc/78/69/35/497786935.db2.gz UCXUDEBIWVLZSC-HXUWFJFHSA-N 0 3 359.429 3.346 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000288544556 497826301 /nfs/dbraw/zinc/82/63/01/497826301.db2.gz JNWNIWZYPTZPGR-QGZVFWFLSA-N 0 3 363.461 3.396 20 30 FGEDHN C[C@]1(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCO[C@@H]1C1CC1 ZINC000329546939 497826482 /nfs/dbraw/zinc/82/64/82/497826482.db2.gz IHRDWHKAIBXELY-SBHAEUEKSA-N 0 3 357.498 3.285 20 30 FGEDHN COc1ccccc1[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280613751 497826920 /nfs/dbraw/zinc/82/69/20/497826920.db2.gz XVIADPLOSUPEBW-RTBURBONSA-N 0 3 359.429 3.265 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329572080 497832558 /nfs/dbraw/zinc/83/25/58/497832558.db2.gz MXIXNPAXASZPLZ-MZTNWIODSA-N 0 3 360.454 3.228 20 30 FGEDHN CS[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1N1CCCC1 ZINC000329593978 497839673 /nfs/dbraw/zinc/83/96/73/497839673.db2.gz HRXBQHCJKPDYSB-BRWVUGGUSA-N 0 3 364.559 3.069 20 30 FGEDHN CS[C@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@H]1N1CCCC1 ZINC000329619272 497847430 /nfs/dbraw/zinc/84/74/30/497847430.db2.gz QVCLPWBTHVMTJV-KGLIPLIRSA-N 0 3 366.531 3.072 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000329751742 497889330 /nfs/dbraw/zinc/88/93/30/497889330.db2.gz JBFIJNARXOUHIS-MOFCZTIZSA-N 0 3 371.525 3.358 20 30 FGEDHN CCOCCOCc1cccc(CNC(=N)Nc2cc(F)ccc2F)c1 ZINC000288763286 497892443 /nfs/dbraw/zinc/89/24/43/497892443.db2.gz STEFDWRMPPKNIM-UHFFFAOYSA-N 0 3 363.408 3.445 20 30 FGEDHN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(C)CCN3CCCC3)ccc2NC1=O ZINC000329775138 497897367 /nfs/dbraw/zinc/89/73/67/497897367.db2.gz MWBSTPYTVUKSFD-PBHICJAKSA-N 0 3 374.485 3.448 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000329795675 497903832 /nfs/dbraw/zinc/90/38/32/497903832.db2.gz WNSWFOYDXVHXMH-UCLAIMLFSA-N 0 3 355.486 3.048 20 30 FGEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000329797016 497904058 /nfs/dbraw/zinc/90/40/58/497904058.db2.gz FGVJMXMYHPNULP-RNCFNFMXSA-N 0 3 356.253 3.167 20 30 FGEDHN Cc1nc2ccccc2n1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280817752 497909894 /nfs/dbraw/zinc/90/98/94/497909894.db2.gz NDDPHVUWDJMLDC-LJQANCHMSA-N 0 3 371.444 3.105 20 30 FGEDHN COCC[C@H]1CCCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329812106 497910950 /nfs/dbraw/zinc/91/09/50/497910950.db2.gz CENKWVQOLXRHII-UYAOXDASSA-N 0 3 355.482 3.192 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296090165 497917017 /nfs/dbraw/zinc/91/70/17/497917017.db2.gz HKSUWNUXTIRYJP-TWKYDXJASA-N 0 3 373.522 3.422 20 30 FGEDHN N#Cc1cccc(CCNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000572358415 505949422 /nfs/dbraw/zinc/94/94/22/505949422.db2.gz VZUYVBQLYLJGQC-FCHUYYIVSA-N 0 3 374.488 3.017 20 30 FGEDHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(CCC2)C1 ZINC000329861413 497931635 /nfs/dbraw/zinc/93/16/35/497931635.db2.gz QGBAAJSOBAVECZ-CYBMUJFWSA-N 0 3 359.426 3.224 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N3CCCN(C4CCCC4)CC3)on2)c1 ZINC000329868812 497934418 /nfs/dbraw/zinc/93/44/18/497934418.db2.gz XWYHATJCDLJOHT-UHFFFAOYSA-N 0 3 364.449 3.304 20 30 FGEDHN COc1cccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2cccc(C)c2)c1 ZINC000292270231 497946684 /nfs/dbraw/zinc/94/66/84/497946684.db2.gz GVMNZGVSIHEMTB-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN CC(C)N1CCC[C@H](NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)C1 ZINC000329916848 497952646 /nfs/dbraw/zinc/95/26/46/497952646.db2.gz QMDIBGBNUPHIIB-LIRRHRJNSA-N 0 3 359.495 3.445 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000581297020 505954746 /nfs/dbraw/zinc/95/47/46/505954746.db2.gz RADFGXOUNNHRIL-URZJWIJPSA-N 0 3 374.488 3.399 20 30 FGEDHN Cc1nnc([C@@H]2CC23CCN(CCCOc2cccc(C#N)c2)CC3)o1 ZINC000364445466 497961264 /nfs/dbraw/zinc/96/12/64/497961264.db2.gz MZPFOUQGGKLEGQ-SFHVURJKSA-N 0 3 352.438 3.288 20 30 FGEDHN CCN1CCN(Cc2ccc(CNc3cccc(F)c3C#N)cc2)CC1 ZINC000301137529 497967221 /nfs/dbraw/zinc/96/72/21/497967221.db2.gz COFIBOMUABGQOB-UHFFFAOYSA-N 0 3 352.457 3.447 20 30 FGEDHN O=C(CCN1C(=O)CSc2ccccc21)NC[C@@H]1CCCCN1C1CC1 ZINC000329953330 497968081 /nfs/dbraw/zinc/96/80/81/497968081.db2.gz NDLFGQZOWCJRBV-INIZCTEOSA-N 0 3 373.522 3.489 20 30 FGEDHN COc1ccc(C#N)cc1CN[C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000364465686 497971621 /nfs/dbraw/zinc/97/16/21/497971621.db2.gz PMQPGLNQAKCLOP-LIRRHRJNSA-N 0 3 370.522 3.332 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3cncc(Br)c3)CC2)cc1 ZINC000301174909 497984323 /nfs/dbraw/zinc/98/43/23/497984323.db2.gz HRYHSQAAGJGYOP-UHFFFAOYSA-N 0 3 371.282 3.428 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CCN1C ZINC000330055316 498005820 /nfs/dbraw/zinc/00/58/20/498005820.db2.gz UEFXZWXDNHFNSR-GHMZBOCLSA-N 0 3 368.268 3.361 20 30 FGEDHN CCCc1cc[n+](C(C(=O)c2nccs2)C(=S)[N-]C2CCC2)cc1 ZINC000292420530 498008821 /nfs/dbraw/zinc/00/88/21/498008821.db2.gz ZVIFKODALKIJMH-UHFFFAOYSA-O 0 3 360.528 3.464 20 30 FGEDHN COc1ccc([C@H](CNC(=O)N[C@H]2CCCSC2)N2CCCC2)cc1 ZINC000330103174 498023123 /nfs/dbraw/zinc/02/31/23/498023123.db2.gz GQBDUWZCIPNTNL-WMZOPIPTSA-N 0 3 363.527 3.231 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000364607704 498046787 /nfs/dbraw/zinc/04/67/87/498046787.db2.gz OTVWWZLRNRJURG-SYYKKAFVSA-N 0 3 374.525 3.423 20 30 FGEDHN Cc1cc([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)cnc1N1CCCC[C@@H]1C ZINC000330226449 498068511 /nfs/dbraw/zinc/06/85/11/498068511.db2.gz BMQQYURQSFGBRD-JKSUJKDBSA-N 0 3 368.485 3.306 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@H]3CC4(CCC4)C(=O)O3)CC2)c(F)c1 ZINC000285435957 498084956 /nfs/dbraw/zinc/08/49/56/498084956.db2.gz HUWFGLBCIDPMLX-MRXNPFEDSA-N 0 3 358.413 3.026 20 30 FGEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000289319891 498103785 /nfs/dbraw/zinc/10/37/85/498103785.db2.gz JXRHUKURACNDLL-GOSISDBHSA-N 0 3 357.479 3.298 20 30 FGEDHN N#Cc1cc(N[C@H]2CCCN(Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000572502065 505984895 /nfs/dbraw/zinc/98/48/95/505984895.db2.gz GGHGJNSPVHLWMF-INIZCTEOSA-N 0 3 351.410 3.125 20 30 FGEDHN C[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CCN(C2CC2)C1 ZINC000296684114 498152742 /nfs/dbraw/zinc/15/27/42/498152742.db2.gz ISDZFSZWVDYSNM-MRXNPFEDSA-N 0 3 374.916 3.003 20 30 FGEDHN C#Cc1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000289481073 498163041 /nfs/dbraw/zinc/16/30/41/498163041.db2.gz ZXBMGMWJILKPQU-UHFFFAOYSA-N 0 3 352.503 3.300 20 30 FGEDHN C=CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000581517076 506005508 /nfs/dbraw/zinc/00/55/08/506005508.db2.gz NLCXAMJOESDGTG-KRWDZBQOSA-N 0 3 357.889 3.457 20 30 FGEDHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330915403 498217166 /nfs/dbraw/zinc/21/71/66/498217166.db2.gz UDVFIPQMNVFYJB-GRYCIOLGSA-N 0 3 372.296 3.285 20 30 FGEDHN C=CCN1CCC(Nc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000301692733 498226640 /nfs/dbraw/zinc/22/66/40/498226640.db2.gz XJWXZHUHJQBSLS-UHFFFAOYSA-N 0 3 353.806 3.097 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000292999400 498229267 /nfs/dbraw/zinc/22/92/67/498229267.db2.gz OSOYNKAUBIWXFQ-NRFANRHFSA-N 0 3 373.460 3.146 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)cc(OC)c1O ZINC000359976785 498231651 /nfs/dbraw/zinc/23/16/51/498231651.db2.gz VIIWUDGVWPWSII-RBUKOAKNSA-N 0 3 358.482 3.105 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301823030 498279185 /nfs/dbraw/zinc/27/91/85/498279185.db2.gz HNGBILVSFHHYPW-GOSISDBHSA-N 0 3 350.466 3.188 20 30 FGEDHN COc1cc(CNc2cccc(CN3CCC(CO)CC3)c2)ccc1C#N ZINC000281824816 498283241 /nfs/dbraw/zinc/28/32/41/498283241.db2.gz XFLPSSXLKODEPP-UHFFFAOYSA-N 0 3 365.477 3.383 20 30 FGEDHN C=CCCC1(c2nc(-c3ccc(N4CCCN(C)CC4)nc3)no2)CC1 ZINC000575835893 506013987 /nfs/dbraw/zinc/01/39/87/506013987.db2.gz PCRGVPCCRBHVRK-UHFFFAOYSA-N 0 3 353.470 3.271 20 30 FGEDHN C=CCC[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccco1 ZINC000286217665 498328312 /nfs/dbraw/zinc/32/83/12/498328312.db2.gz SGLJLGDKGXTIRN-CYBMUJFWSA-N 0 3 366.405 3.191 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CCO[C@@H]2C2CC2)ccc1Cl ZINC000365192822 498343091 /nfs/dbraw/zinc/34/30/91/498343091.db2.gz SNBDCYWIMXRQGM-PKOBYXMFSA-N 0 3 361.873 3.052 20 30 FGEDHN CN(C)CCN(Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(C#N)cc1 ZINC000289910899 498348989 /nfs/dbraw/zinc/34/89/89/498348989.db2.gz VAYDMNRKAUMIRT-LJQANCHMSA-N 0 3 370.522 3.430 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572650657 506021141 /nfs/dbraw/zinc/02/11/41/506021141.db2.gz PZFWSFULDODXRQ-MJGOQNOKSA-N 0 3 365.880 3.015 20 30 FGEDHN CN(C(=O)CN1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O)C1(C#N)CCCCC1 ZINC000331522208 498359125 /nfs/dbraw/zinc/35/91/25/498359125.db2.gz CVZUNEUKTNVGOC-GGPKGHCWSA-N 0 3 361.530 3.077 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@H]2CCO)ccc1Cl ZINC000286322217 498362525 /nfs/dbraw/zinc/36/25/25/498362525.db2.gz WPUDCBKZKCAIBG-MAUKXSAKSA-N 0 3 363.889 3.036 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1ccco1 ZINC000572656167 506022277 /nfs/dbraw/zinc/02/22/77/506022277.db2.gz SRXIMQYTCWQBTR-CJNGLKHVSA-N 0 3 356.426 3.411 20 30 FGEDHN COc1ccc([C@H](CNc2nc3ccccn3c2C#N)N2CCCC2)cc1 ZINC000302059011 498389812 /nfs/dbraw/zinc/38/98/12/498389812.db2.gz AZLGCSMMPJPKPZ-IBGZPJMESA-N 0 3 361.449 3.464 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000290177192 498452930 /nfs/dbraw/zinc/45/29/30/498452930.db2.gz FQMCBIXLAMKEJA-UHFFFAOYSA-N 0 3 372.694 3.268 20 30 FGEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000293709848 498463542 /nfs/dbraw/zinc/46/35/42/498463542.db2.gz UOEPFGVJUHONDW-HZPDHXFCSA-N 0 3 359.413 3.002 20 30 FGEDHN COC[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)c(F)c1 ZINC000362258682 498483734 /nfs/dbraw/zinc/48/37/34/498483734.db2.gz RQWYKTJBUOBVSM-IBGZPJMESA-N 0 3 372.419 3.178 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1c(Cl)cccc1C#N ZINC000302446601 498485711 /nfs/dbraw/zinc/48/57/11/498485711.db2.gz OCTCWVFLRNBIRT-FQEVSTJZSA-N 0 3 355.869 3.285 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000302689293 498533006 /nfs/dbraw/zinc/53/30/06/498533006.db2.gz UUPYRRNYOKSTGT-HNNXBMFYSA-N 0 3 371.916 3.445 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C2CCC2)cc1 ZINC000297930835 498613458 /nfs/dbraw/zinc/61/34/58/498613458.db2.gz VMPXCYVHTXWWNP-ZDUSSCGKSA-N 0 3 363.483 3.320 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)N(C)CCC#N ZINC000287133162 498642183 /nfs/dbraw/zinc/64/21/83/498642183.db2.gz GYKPWYCXLGNIMG-HOTGVXAUSA-N 0 3 352.438 3.285 20 30 FGEDHN C=CCc1cc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc(OC)c1OC ZINC000287224975 498679363 /nfs/dbraw/zinc/67/93/63/498679363.db2.gz QJAGXBQNPLZYHS-YJBOKZPZSA-N 0 3 358.482 3.131 20 30 FGEDHN CCCCOCCOCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000363168499 498682864 /nfs/dbraw/zinc/68/28/64/498682864.db2.gz ZMTAENCUQCAERK-UHFFFAOYSA-N 0 3 370.497 3.387 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]3CCCCN3C[C@@H]2C)c1C ZINC000332517544 498709490 /nfs/dbraw/zinc/70/94/90/498709490.db2.gz XSODXAXYTLUDQV-ICSRJNTNSA-N 0 3 368.525 3.109 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000579055138 506083331 /nfs/dbraw/zinc/08/33/31/506083331.db2.gz KNRSGRDIHBRPJF-HXUWFJFHSA-N 0 3 358.869 3.264 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](c3cn(C)c4ccccc34)C2)CC1 ZINC000363298264 498751107 /nfs/dbraw/zinc/75/11/07/498751107.db2.gz CGJLAELJRDTFID-KRWDZBQOSA-N 0 3 366.509 3.328 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000298413895 498763379 /nfs/dbraw/zinc/76/33/79/498763379.db2.gz FQXNXJRSCKEURT-UYAOXDASSA-N 0 3 371.387 3.285 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCC[C@@H](CO)C2)c1 ZINC000363346912 498774124 /nfs/dbraw/zinc/77/41/24/498774124.db2.gz ABLFRZCXNOOKHX-RTBURBONSA-N 0 3 357.498 3.033 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000576155964 506089578 /nfs/dbraw/zinc/08/95/78/506089578.db2.gz PSXZLXHTBHEULK-CABCVRRESA-N 0 3 360.401 3.043 20 30 FGEDHN CCCN1CCC[C@@H]1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000328613358 498875675 /nfs/dbraw/zinc/87/56/75/498875675.db2.gz QGTYPPMKEUPYFJ-GFCCVEGCSA-N 0 3 366.263 3.051 20 30 FGEDHN CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc2cc(Br)cnc2[n-]1 ZINC000328613358 498875682 /nfs/dbraw/zinc/87/56/82/498875682.db2.gz QGTYPPMKEUPYFJ-GFCCVEGCSA-N 0 3 366.263 3.051 20 30 FGEDHN CCC[N@H+]1CCC[C@@H]1C(=O)NCc1nc2cc(Br)cnc2[n-]1 ZINC000328613358 498875689 /nfs/dbraw/zinc/87/56/89/498875689.db2.gz QGTYPPMKEUPYFJ-GFCCVEGCSA-N 0 3 366.263 3.051 20 30 FGEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCCn3cc(C)nc32)C1 ZINC000328642391 498887099 /nfs/dbraw/zinc/88/70/99/498887099.db2.gz DUOUWIJIEHGFEZ-IAGOWNOFSA-N 0 3 370.501 3.079 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000287962444 498913020 /nfs/dbraw/zinc/91/30/20/498913020.db2.gz MFDWSBLASRRFPC-IBGZPJMESA-N 0 3 372.513 3.412 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)C[C@@](C)(O)C1CC1)c1ccccc1O2 ZINC000328773603 498933881 /nfs/dbraw/zinc/93/38/81/498933881.db2.gz JYVMTZHWXZDDSX-FXAWDEMLSA-N 0 3 358.482 3.482 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000363720369 498959008 /nfs/dbraw/zinc/95/90/08/498959008.db2.gz HIZLXPIFMHUJNX-UHFFFAOYSA-N 0 3 363.465 3.090 20 30 FGEDHN CN1CC[C@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@@H]1c1ccccc1 ZINC000328886194 498973979 /nfs/dbraw/zinc/97/39/79/498973979.db2.gz NUNDCUKBZXWAER-FZTQNYJHSA-N 0 3 370.453 3.201 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000328889084 498975076 /nfs/dbraw/zinc/97/50/76/498975076.db2.gz QOMSKTAIBMLOSO-NEWSRXKRSA-N 0 3 367.497 3.339 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000328947436 498995383 /nfs/dbraw/zinc/99/53/83/498995383.db2.gz VTMMPFVJOIBHGE-ZWKOTPCHSA-N 0 3 371.525 3.286 20 30 FGEDHN C[C@@H](NC(=O)N1CCCC12CCN(C)CC2)c1noc(-c2ccccc2)n1 ZINC000329074102 499033624 /nfs/dbraw/zinc/03/36/24/499033624.db2.gz PBUDVSMIYHYZMJ-OAHLLOKOSA-N 0 3 369.469 3.272 20 30 FGEDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1 ZINC000329076449 499035159 /nfs/dbraw/zinc/03/51/59/499035159.db2.gz CECGROSCZQPIDM-UHFFFAOYSA-N 0 3 372.513 3.287 20 30 FGEDHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000329346241 499104275 /nfs/dbraw/zinc/10/42/75/499104275.db2.gz RGZWPPHQLVOGAK-VQIMIIECSA-N 0 3 355.482 3.093 20 30 FGEDHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000329369381 499110321 /nfs/dbraw/zinc/11/03/21/499110321.db2.gz LOZKAFLSHIQAFD-IEBWSBKVSA-N 0 3 371.529 3.219 20 30 FGEDHN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000329369273 499110383 /nfs/dbraw/zinc/11/03/83/499110383.db2.gz JMAPWQLAQKZPBD-QFUCXCTJSA-N 0 3 371.525 3.295 20 30 FGEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000329419588 499118358 /nfs/dbraw/zinc/11/83/58/499118358.db2.gz GZVXZTRNYGWDBN-NCXUSEDFSA-N 0 3 368.481 3.035 20 30 FGEDHN CC[C@@H]1C[C@@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC(=O)N1 ZINC000329453403 499123774 /nfs/dbraw/zinc/12/37/74/499123774.db2.gz PGXBBOQJVOZOFV-RTBURBONSA-N 0 3 372.513 3.036 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370017334 499166892 /nfs/dbraw/zinc/16/68/92/499166892.db2.gz FEHOEMROWFMUBY-QGZVFWFLSA-N 0 3 350.466 3.479 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370017332 499167067 /nfs/dbraw/zinc/16/70/67/499167067.db2.gz FEHOEMROWFMUBY-KRWDZBQOSA-N 0 3 350.466 3.479 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@@]23CCOC3)sc2c1CCCC2 ZINC000367446795 499199630 /nfs/dbraw/zinc/19/96/30/499199630.db2.gz GZMZGPNJNFAYKV-IBGZPJMESA-N 0 3 359.495 3.082 20 30 FGEDHN C=CCC[C@@H](NC1CCC(N2CCCS2(=O)=O)CC1)c1ccco1 ZINC000367547858 499211166 /nfs/dbraw/zinc/21/11/66/499211166.db2.gz AZLDAXXXIPQJJE-OFLPRAFFSA-N 0 3 352.500 3.223 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000370906702 499269286 /nfs/dbraw/zinc/26/92/86/499269286.db2.gz XHVPFNRFJLTTQK-OAHLLOKOSA-N 0 3 357.889 3.214 20 30 FGEDHN CC(C)c1nnc([C@@H]2CC23CCN(C[C@H](O)c2ccc(C#N)cc2)CC3)o1 ZINC000371159963 499294517 /nfs/dbraw/zinc/29/45/17/499294517.db2.gz IFJULMGFRVSXEX-ROUUACIJSA-N 0 3 366.465 3.368 20 30 FGEDHN C=CCOc1ccc(CN2CCC(CN3CCCC3=O)CC2)cc1OC ZINC000371331095 499311120 /nfs/dbraw/zinc/31/11/20/499311120.db2.gz FCFQDWQEZJCQJE-UHFFFAOYSA-N 0 3 358.482 3.094 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000368868430 499341756 /nfs/dbraw/zinc/34/17/56/499341756.db2.gz LPSDEDTVMWFMOV-UHFFFAOYSA-N 0 3 365.437 3.027 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000368897507 499344265 /nfs/dbraw/zinc/34/42/65/499344265.db2.gz RSBTXCXQDYKGJG-OAHLLOKOSA-N 0 3 367.276 3.278 20 30 FGEDHN C=CCN(C(=O)Cc1c(C)noc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000371590528 499345134 /nfs/dbraw/zinc/34/51/34/499345134.db2.gz OADORUBEXPOLTA-IBGZPJMESA-N 0 3 353.466 3.123 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000369111187 499366495 /nfs/dbraw/zinc/36/64/95/499366495.db2.gz NOKNAAIDRCNESK-TZIWHRDSSA-N 0 3 368.525 3.272 20 30 FGEDHN C=CCN(C(=O)[C@@H]1CCCn2ccnc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000371827358 499369319 /nfs/dbraw/zinc/36/93/19/499369319.db2.gz USMIGATWFWTKEJ-WOJBJXKFSA-N 0 3 364.493 3.050 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000369303161 499389394 /nfs/dbraw/zinc/38/93/94/499389394.db2.gz OCNWNJBNZPEKFD-LEWJYISDSA-N 0 3 372.472 3.273 20 30 FGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2cccc3cnccc32)CC1 ZINC000369337786 499392727 /nfs/dbraw/zinc/39/27/27/499392727.db2.gz DUZDSDBSJDJKSU-INIZCTEOSA-N 0 3 350.466 3.175 20 30 FGEDHN CN1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000369572765 499420735 /nfs/dbraw/zinc/42/07/35/499420735.db2.gz CHYKAYZLIDUJFB-YLJYHZDGSA-N 0 3 353.491 3.362 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCN(c3ccccc3)CC2)cc1 ZINC000369630402 499428774 /nfs/dbraw/zinc/42/87/74/499428774.db2.gz PICUFSVKZJGCJR-OAQYLSRUSA-N 0 3 372.472 3.273 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@H]2CCC[C@H]2N2CCOCC2)cc1 ZINC000373188266 499456223 /nfs/dbraw/zinc/45/62/23/499456223.db2.gz SRMJAAIQJFLWEN-HLAWJBBLSA-N 0 3 357.498 3.131 20 30 FGEDHN Cc1ccc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000373401223 499467729 /nfs/dbraw/zinc/46/77/29/499467729.db2.gz WAKSPCALMWQCRT-NRFANRHFSA-N 0 3 358.445 3.350 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373418227 499468599 /nfs/dbraw/zinc/46/85/99/499468599.db2.gz POYNPIPEPNPXLG-UHFFFAOYSA-N 0 3 369.362 3.232 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000373451035 499470509 /nfs/dbraw/zinc/47/05/09/499470509.db2.gz AUDGMTFXNYFGFB-MRXNPFEDSA-N 0 3 372.403 3.446 20 30 FGEDHN CN1CC[C@@H](CNC(=O)NCC2(CC#N)CC2)[C@H]1c1cccc(Cl)c1 ZINC000373717879 499484862 /nfs/dbraw/zinc/48/48/62/499484862.db2.gz FYSFCGKMGDPCHE-DOTOQJQBSA-N 0 3 360.889 3.326 20 30 FGEDHN CC(=O)NCc1ccc([C@@H]2CCCN2CCOc2cccc(C#N)c2)o1 ZINC000375141026 499488963 /nfs/dbraw/zinc/48/89/63/499488963.db2.gz NNVZTMBIRDCABY-IBGZPJMESA-N 0 3 353.422 3.003 20 30 FGEDHN Cc1cc(-n2ccnc2)ccc1CN1CCCN(c2ncccc2C#N)CC1 ZINC000375462805 499522224 /nfs/dbraw/zinc/52/22/24/499522224.db2.gz TXXKSWHHGMBUFS-UHFFFAOYSA-N 0 3 372.476 3.160 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000375726509 499549391 /nfs/dbraw/zinc/54/93/91/499549391.db2.gz WQLCSWWSYKWROV-PXNSSMCTSA-N 0 3 365.481 3.336 20 30 FGEDHN CN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388441560 499550473 /nfs/dbraw/zinc/55/04/73/499550473.db2.gz DUUVJZFQANKNPS-OAQYLSRUSA-N 0 3 362.477 3.093 20 30 FGEDHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(C#N)cc1)CC2 ZINC000375902792 499567143 /nfs/dbraw/zinc/56/71/43/499567143.db2.gz NMAPYBDDMFFCBG-UHFFFAOYSA-N 0 3 352.434 3.185 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(Cc3cccnc3)CC2)cc1 ZINC000375919807 499568731 /nfs/dbraw/zinc/56/87/31/499568731.db2.gz PIODXPVUIXMWKS-NRFANRHFSA-N 0 3 358.445 3.117 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404201537 499569984 /nfs/dbraw/zinc/56/99/84/499569984.db2.gz PVTXSYCFYJGELS-DHIUTWEWSA-N 0 3 361.489 3.342 20 30 FGEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409671051 499613393 /nfs/dbraw/zinc/61/33/93/499613393.db2.gz YKCDJNQOKXYDBZ-IBGZPJMESA-N 0 3 365.481 3.128 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC23CCCCC3)cc1 ZINC000376631807 499624763 /nfs/dbraw/zinc/62/47/63/499624763.db2.gz XQWNFIYPSBOVOE-CQSZACIVSA-N 0 3 361.467 3.313 20 30 FGEDHN Cc1ccccc1[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000376753686 499633545 /nfs/dbraw/zinc/63/35/45/499633545.db2.gz OYTCJOVXLDINDS-PZJWPPBQSA-N 0 3 359.429 3.149 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(F)cc(F)c1)C(C)C ZINC000410162985 499645959 /nfs/dbraw/zinc/64/59/59/499645959.db2.gz CNBSNGLECBGKOU-SFHVURJKSA-N 0 3 351.441 3.463 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(c3cn[nH]c3)CC1)CCC2 ZINC000377534676 499701664 /nfs/dbraw/zinc/70/16/64/499701664.db2.gz WIIVNTPKYGMHGS-UHFFFAOYSA-N 0 3 369.494 3.040 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn2ccc(Br)cc2n1 ZINC000576436509 506157706 /nfs/dbraw/zinc/15/77/06/506157706.db2.gz VLNSSBAABGSEJW-MLGOLLRUSA-N 0 3 350.260 3.168 20 30 FGEDHN C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(C#N)cc1Cl ZINC000378179981 499762316 /nfs/dbraw/zinc/76/23/16/499762316.db2.gz OEAHRYZGKONNSH-KDOFPFPSSA-N 0 3 365.930 3.070 20 30 FGEDHN COc1cc(C)c(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000582208972 506158371 /nfs/dbraw/zinc/15/83/71/506158371.db2.gz VWXQETMGLKSFTN-UHFFFAOYSA-N 0 3 367.493 3.448 20 30 FGEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412015452 499813168 /nfs/dbraw/zinc/81/31/68/499813168.db2.gz SOADYDFLOFNZLW-UXHICEINSA-N 0 3 352.482 3.301 20 30 FGEDHN CN(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000412338667 499846340 /nfs/dbraw/zinc/84/63/40/499846340.db2.gz NRAYPUQLMRDVNC-ZCNNSNEGSA-N 0 3 351.425 3.220 20 30 FGEDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1ncccc1OCCCC#N ZINC000415491999 499896359 /nfs/dbraw/zinc/89/63/59/499896359.db2.gz ADEMEPACRSSYDL-KRWDZBQOSA-N 0 3 367.453 3.148 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC1CC(OCC)C1 ZINC000412990233 499902945 /nfs/dbraw/zinc/90/29/45/499902945.db2.gz PHGZPCSCAJKNBH-UHFFFAOYSA-N 0 3 350.532 3.152 20 30 FGEDHN CCO[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000413176470 499923001 /nfs/dbraw/zinc/92/30/01/499923001.db2.gz KWOKYMLBAKUCGW-OAQYLSRUSA-N 0 3 365.477 3.226 20 30 FGEDHN N#Cc1c(F)cccc1NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413576506 499995472 /nfs/dbraw/zinc/99/54/72/499995472.db2.gz HJHFHNKZKDOKAD-UHFFFAOYSA-N 0 3 366.440 3.007 20 30 FGEDHN N#Cc1ccc(NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c(F)c1 ZINC000413578446 499995609 /nfs/dbraw/zinc/99/56/09/499995609.db2.gz JOSKLAXBJLVHHC-UHFFFAOYSA-N 0 3 366.440 3.007 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1F ZINC000421331217 500019200 /nfs/dbraw/zinc/01/92/00/500019200.db2.gz ZQNSNIBICXMDFF-OAHLLOKOSA-N 0 3 368.330 3.246 20 30 FGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000429180823 500019588 /nfs/dbraw/zinc/01/95/88/500019588.db2.gz LAJBXKHNNBGSCG-ORAYPTAESA-N 0 3 355.463 3.240 20 30 FGEDHN N#CC1(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCC1 ZINC000416353140 500024295 /nfs/dbraw/zinc/02/42/95/500024295.db2.gz HZZZYVXDWNDVEO-SFHVURJKSA-N 0 3 365.399 3.251 20 30 FGEDHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429229866 500027527 /nfs/dbraw/zinc/02/75/27/500027527.db2.gz WMHLNQATEPNDEE-XHDPSFHLSA-N 0 3 355.825 3.001 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000429309856 500049350 /nfs/dbraw/zinc/04/93/50/500049350.db2.gz SBZANKGKVQEPKV-HOCLYGCPSA-N 0 3 356.491 3.114 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000425227526 500050340 /nfs/dbraw/zinc/05/03/40/500050340.db2.gz OZDOZHDJIRFVBM-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000425229798 500050920 /nfs/dbraw/zinc/05/09/20/500050920.db2.gz LPQONEQNTOJEIM-IYBDPMFKSA-N 0 3 372.469 3.182 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000425360875 500084342 /nfs/dbraw/zinc/08/43/42/500084342.db2.gz YAPSELZMAKSXIX-JSGCOSHPSA-N 0 3 356.260 3.234 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429589858 500109185 /nfs/dbraw/zinc/10/91/85/500109185.db2.gz JZEHPMLSCBDHSF-RHSMWYFYSA-N 0 3 360.502 3.072 20 30 FGEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000429697607 500126540 /nfs/dbraw/zinc/12/65/40/500126540.db2.gz AMAJQZNHYUZFHK-FQEVSTJZSA-N 0 3 351.450 3.236 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000425610402 500158878 /nfs/dbraw/zinc/15/88/78/500158878.db2.gz MBZXIHKJXVXWCF-VQTJNVASSA-N 0 3 354.498 3.029 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)CC1 ZINC000570498520 506181889 /nfs/dbraw/zinc/18/18/89/506181889.db2.gz QWWLZFJLFORCNV-UHFFFAOYSA-N 0 3 369.824 3.038 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000425836675 500203514 /nfs/dbraw/zinc/20/35/14/500203514.db2.gz BSACRQPYCZPCRO-IJXRJRJASA-N 0 3 354.498 3.373 20 30 FGEDHN CN(c1nc2c(cc1C#N)COCC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000576550275 506183509 /nfs/dbraw/zinc/18/35/09/506183509.db2.gz GQZCTLVSHXSCLZ-FQEVSTJZSA-N 0 3 362.477 3.127 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418137529 500235424 /nfs/dbraw/zinc/23/54/24/500235424.db2.gz RSUSKVYCCLCICN-AQNXPRMDSA-N 0 3 353.466 3.120 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)C(C)C ZINC000430898941 500303722 /nfs/dbraw/zinc/30/37/22/500303722.db2.gz GBLGBKYUOREEKE-WOJBJXKFSA-N 0 3 367.493 3.074 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(OC2CCC2)CC1)C(C)C ZINC000419410571 500363180 /nfs/dbraw/zinc/36/31/80/500363180.db2.gz ANKDWPVADKBRQN-FQEVSTJZSA-N 0 3 363.546 3.428 20 30 FGEDHN C=CC[C@H](C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000427261597 500375174 /nfs/dbraw/zinc/37/51/74/500375174.db2.gz ZFDGWEHUVDRSHI-GMAHTHKFSA-N 0 3 364.489 3.100 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000582353130 506194357 /nfs/dbraw/zinc/19/43/57/506194357.db2.gz PUYNNFZYXVCOOI-YOEHRIQHSA-N 0 3 361.511 3.018 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000424072153 500447616 /nfs/dbraw/zinc/44/76/16/500447616.db2.gz CMTGULVMLMXBNT-QUCCMNQESA-N 0 3 360.461 3.437 20 30 FGEDHN COCCCN1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431960075 500448547 /nfs/dbraw/zinc/44/85/47/500448547.db2.gz ZDLTVGOXNJOGEN-HXUWFJFHSA-N 0 3 372.513 3.222 20 30 FGEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000424107060 500453859 /nfs/dbraw/zinc/45/38/59/500453859.db2.gz YFDRSASPEFNDTO-HNAYVOBHSA-N 0 3 364.449 3.137 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000424104773 500453949 /nfs/dbraw/zinc/45/39/49/500453949.db2.gz UKEBPCPKFRTQJE-GJZGRUSLSA-N 0 3 350.260 3.134 20 30 FGEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000424125822 500457852 /nfs/dbraw/zinc/45/78/52/500457852.db2.gz OHYFAXQWVYZZAJ-HZMVEIRTSA-N 0 3 361.559 3.199 20 30 FGEDHN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](N)CCCC#N)s2)cc1 ZINC000424131358 500458822 /nfs/dbraw/zinc/45/88/22/500458822.db2.gz UXEZFOFDPHVHDA-BLLLJJGKSA-N 0 3 372.494 3.326 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000424190401 500465281 /nfs/dbraw/zinc/46/52/81/500465281.db2.gz OIFGHMRVZPWADK-PWSUYJOCSA-N 0 3 365.302 3.029 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000424531367 500513661 /nfs/dbraw/zinc/51/36/61/500513661.db2.gz MTQAIPUSDUVOER-URVUXULASA-N 0 3 354.494 3.092 20 30 FGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000424697047 500544300 /nfs/dbraw/zinc/54/43/00/500544300.db2.gz ZVGHJSOSWYOQJY-SFHVURJKSA-N 0 3 357.498 3.394 20 30 FGEDHN C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432872715 500581592 /nfs/dbraw/zinc/58/15/92/500581592.db2.gz NXMHTWXIJVMDOE-UHFFFAOYSA-N 0 3 358.507 3.168 20 30 FGEDHN COc1ccccc1CNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433019850 500607665 /nfs/dbraw/zinc/60/76/65/500607665.db2.gz PSPOROHKMNVJHY-IBGZPJMESA-N 0 3 351.450 3.336 20 30 FGEDHN COC(=O)c1cccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433035629 500610328 /nfs/dbraw/zinc/61/03/28/500610328.db2.gz NAGJGBOSYIKLHS-IBGZPJMESA-N 0 3 365.433 3.436 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000442899868 500643990 /nfs/dbraw/zinc/64/39/90/500643990.db2.gz LVIRLHKSPJNPLG-OTWHNJEPSA-N 0 3 371.525 3.209 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000442899872 500644303 /nfs/dbraw/zinc/64/43/03/500644303.db2.gz LVIRLHKSPJNPLG-QRVBRYPASA-N 0 3 371.525 3.209 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cncc(C)c1 ZINC000442905037 500644875 /nfs/dbraw/zinc/64/48/75/500644875.db2.gz ZHZYYLRFKWJDBN-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000433350295 500678457 /nfs/dbraw/zinc/67/84/57/500678457.db2.gz BNGKDENSFHOKKK-SFHVURJKSA-N 0 3 372.428 3.062 20 30 FGEDHN C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000447926503 500691272 /nfs/dbraw/zinc/69/12/72/500691272.db2.gz MJNBYGRTOKDWKA-IIBYNOLFSA-N 0 3 354.425 3.239 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000438203732 500754052 /nfs/dbraw/zinc/75/40/52/500754052.db2.gz TWEFHNAODVPXQK-RYRKJORJSA-N 0 3 363.527 3.165 20 30 FGEDHN Cc1cc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)ccc1C#N ZINC000443998370 500789479 /nfs/dbraw/zinc/78/94/79/500789479.db2.gz PNAQEWBDJLCVRA-LJQANCHMSA-N 0 3 361.424 3.369 20 30 FGEDHN COC(=O)C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000448789216 500834443 /nfs/dbraw/zinc/83/44/43/500834443.db2.gz YVXNWJNNQMGGDQ-MJGOQNOKSA-N 0 3 368.408 3.319 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ncc(Cl)cc1Cl ZINC000602565323 506219680 /nfs/dbraw/zinc/21/96/80/506219680.db2.gz BBVGTOFUPVRMNL-GFCCVEGCSA-N 0 3 358.269 3.456 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448919978 500869697 /nfs/dbraw/zinc/86/96/97/500869697.db2.gz DUWINJZNCCALJW-UHFFFAOYSA-N 0 3 351.288 3.067 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000448932712 500873425 /nfs/dbraw/zinc/87/34/25/500873425.db2.gz LBEDXGFNHDMICY-HNNXBMFYSA-N 0 3 362.271 3.021 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ncccc1C(F)(F)F ZINC000602574715 506222034 /nfs/dbraw/zinc/22/20/34/506222034.db2.gz MBBVEWBJUQHJHR-ZDUSSCGKSA-N 0 3 357.376 3.168 20 30 FGEDHN Cc1ccc([C@]2(C)CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000434749975 500889133 /nfs/dbraw/zinc/88/91/33/500889133.db2.gz ZUVZDEMQIKAVAR-IFMALSPDSA-N 0 3 350.462 3.270 20 30 FGEDHN C=CC[C@H]1N(CC(=O)NCC(=O)Nc2ccccc2CC)CCCC1(C)C ZINC000444781278 500899304 /nfs/dbraw/zinc/89/93/04/500899304.db2.gz GQEMOCHVVHKODD-LJQANCHMSA-N 0 3 371.525 3.370 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444781749 500899351 /nfs/dbraw/zinc/89/93/51/500899351.db2.gz HIKXCSBTEFOWPB-IBGZPJMESA-N 0 3 358.526 3.117 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)c1ccccn1 ZINC000602580843 506223391 /nfs/dbraw/zinc/22/33/91/506223391.db2.gz IIQYAGBNXYUYBY-AZUAARDMSA-N 0 3 350.466 3.283 20 30 FGEDHN CC1(C)CCCN(CCNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000444884469 500917075 /nfs/dbraw/zinc/91/70/75/500917075.db2.gz HTOSDUXSRAGJCR-UHFFFAOYSA-N 0 3 374.554 3.213 20 30 FGEDHN CC1(C)CCCN(CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000444895792 500918955 /nfs/dbraw/zinc/91/89/55/500918955.db2.gz LDEIJYHFEWRBFU-UHFFFAOYSA-N 0 3 366.412 3.403 20 30 FGEDHN N#CCCn1cc(CN2CCC(OCC3CC3)CC2)c(-c2ccncc2)n1 ZINC000435126536 500936584 /nfs/dbraw/zinc/93/65/84/500936584.db2.gz NWEOGDZWNSDPFL-UHFFFAOYSA-N 0 3 365.481 3.250 20 30 FGEDHN CCN(CC)C(=O)c1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602593414 506226084 /nfs/dbraw/zinc/22/60/84/506226084.db2.gz NWXIAROZGADJNV-QGZVFWFLSA-N 0 3 357.498 3.357 20 30 FGEDHN C=C(C)COc1cc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1OC ZINC000449436292 501002821 /nfs/dbraw/zinc/00/28/21/501002821.db2.gz XDSXZEAVLHNCGX-OTWHNJEPSA-N 0 3 361.482 3.012 20 30 FGEDHN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CCN(Cc2ccccc2)C1 ZINC000449553751 501031975 /nfs/dbraw/zinc/03/19/75/501031975.db2.gz NKIWVBGVFASVIE-GOSISDBHSA-N 0 3 359.477 3.160 20 30 FGEDHN COc1cc(CNC[C@@H](c2cccc(C)c2)N2CCOCC2)ccc1C#N ZINC000440806365 501050461 /nfs/dbraw/zinc/05/04/61/501050461.db2.gz LMTBKCXLDXYTGY-NRFANRHFSA-N 0 3 365.477 3.038 20 30 FGEDHN C[C@H]1OCC[C@H]1N(CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449676640 501059185 /nfs/dbraw/zinc/05/91/85/501059185.db2.gz IRIDVIULDFUXLV-VGOFRKELSA-N 0 3 366.461 3.109 20 30 FGEDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000449737765 501072349 /nfs/dbraw/zinc/07/23/49/501072349.db2.gz UHPCEBZERMNWPT-CYBMUJFWSA-N 0 3 371.412 3.221 20 30 FGEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CCN(CCC(F)(F)F)CC1 ZINC000449784341 501086157 /nfs/dbraw/zinc/08/61/57/501086157.db2.gz AHZBFABRSJJNJJ-UHFFFAOYSA-N 0 3 365.403 3.055 20 30 FGEDHN C=CCC1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCCC1 ZINC000449850787 501106917 /nfs/dbraw/zinc/10/69/17/501106917.db2.gz SOUXMTBMGNNAKE-UHFFFAOYSA-N 0 3 356.510 3.396 20 30 FGEDHN C=C(C)COc1cc(CN[C@@]2(CO)C[C@@H](OCC)C2(C)C)ccc1OC ZINC000436375646 501116294 /nfs/dbraw/zinc/11/62/94/501116294.db2.gz BCIWPJWDOXPZMT-TZIWHRDSSA-N 0 3 363.498 3.306 20 30 FGEDHN C=CCC1(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCCCC1 ZINC000450521619 501143474 /nfs/dbraw/zinc/14/34/74/501143474.db2.gz UWLYRAXNIIJUOS-HXUWFJFHSA-N 0 3 356.510 3.396 20 30 FGEDHN N#Cc1cnnc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000596063557 506236863 /nfs/dbraw/zinc/23/68/63/506236863.db2.gz UJIMLBNFYJTECF-UHFFFAOYSA-N 0 3 361.371 3.079 20 30 FGEDHN CCOC(=O)[C@](C)(CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602631530 506239145 /nfs/dbraw/zinc/23/91/45/506239145.db2.gz QEOPMBFTSBNKIO-FXAWDEMLSA-N 0 3 358.482 3.196 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1csnn1 ZINC000450746876 501199727 /nfs/dbraw/zinc/19/97/27/501199727.db2.gz RZITTZPZIMVRAJ-ZDUSSCGKSA-N 0 3 364.544 3.197 20 30 FGEDHN CC(=O)Nc1ccc(CN2CCC(Nc3cc(C#N)cc(C)n3)CC2)cc1 ZINC000450790207 501209455 /nfs/dbraw/zinc/20/94/55/501209455.db2.gz XZCNITOUEALZER-UHFFFAOYSA-N 0 3 363.465 3.297 20 30 FGEDHN CCN1CCN(CCNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000596073512 506241831 /nfs/dbraw/zinc/24/18/31/506241831.db2.gz LWBZRPHRHNOODK-UHFFFAOYSA-N 0 3 357.889 3.118 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451418350 501288280 /nfs/dbraw/zinc/28/82/80/501288280.db2.gz MKKWRRHXMUNXIU-HBMCJLEFSA-N 0 3 369.509 3.176 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C ZINC000451492515 501305120 /nfs/dbraw/zinc/30/51/20/501305120.db2.gz JNWGMESJALLKAH-IAOVAPTHSA-N 0 3 361.511 3.280 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)c2cc(C)c(C#N)cn2)N(C)C)cc1 ZINC000457815116 501315615 /nfs/dbraw/zinc/31/56/15/501315615.db2.gz LOEZADRPUPFUNH-GOSISDBHSA-N 0 3 354.479 3.016 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453424738 501328811 /nfs/dbraw/zinc/32/88/11/501328811.db2.gz JWELDBQBVTYRMV-GOSISDBHSA-N 0 3 369.513 3.006 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000451680968 501349566 /nfs/dbraw/zinc/34/95/66/501349566.db2.gz NCICPTHCTGJZAE-CVEARBPZSA-N 0 3 357.281 3.275 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000451681284 501349682 /nfs/dbraw/zinc/34/96/82/501349682.db2.gz NYRNEWBYZGAHCM-FUHIMQAGSA-N 0 3 374.481 3.416 20 30 FGEDHN CC(C)(CC#N)CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000458043152 501361859 /nfs/dbraw/zinc/36/18/59/501361859.db2.gz PPONVKNUARWVKV-HZPDHXFCSA-N 0 3 367.415 3.353 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CN1Cc1ccccc1 ZINC000455778001 501384149 /nfs/dbraw/zinc/38/41/49/501384149.db2.gz GFWIMOYXYXMCQI-BBRMVZONSA-N 0 3 369.856 3.391 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1F ZINC000458329287 501420886 /nfs/dbraw/zinc/42/08/86/501420886.db2.gz XBIPGNVOLZXZMT-UHFFFAOYSA-N 0 3 355.413 3.209 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 ZINC000458333554 501422262 /nfs/dbraw/zinc/42/22/62/501422262.db2.gz LGKBTGLKYKROMR-UAPYVXQJSA-N 0 3 357.498 3.233 20 30 FGEDHN COc1cc(CN2C[C@H](C)C[C@@H](O)C2)ccc1OCc1cccc(C#N)c1 ZINC000452064841 501428022 /nfs/dbraw/zinc/42/80/22/501428022.db2.gz AMWKEOOXSZFKGH-OXQOHEQNSA-N 0 3 366.461 3.349 20 30 FGEDHN N#Cc1ccc(CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000596091869 506253038 /nfs/dbraw/zinc/25/30/38/506253038.db2.gz GGCURJAIJDIJLW-GOSISDBHSA-N 0 3 368.506 3.299 20 30 FGEDHN COc1cc2c(cc1OC)[C@@H](N1CC[C@@H](Oc3ccc(C#N)cn3)C1)CC2 ZINC000602673479 506255951 /nfs/dbraw/zinc/25/59/51/506255951.db2.gz UWKAZEXPYNJSOD-AEFFLSMTSA-N 0 3 365.433 3.111 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(C(C)(C)C)C2)cc1 ZINC000455260593 501717749 /nfs/dbraw/zinc/71/77/49/501717749.db2.gz UYVSEZSFBXPSAO-DNOWBOINSA-N 0 3 363.483 3.319 20 30 FGEDHN C=CCC(CC=C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000467357033 501776618 /nfs/dbraw/zinc/77/66/18/501776618.db2.gz WCCILTCNDZIMLU-UHFFFAOYSA-N 0 3 371.525 3.044 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(C#N)cc1F)N(C)C ZINC000588339625 506273247 /nfs/dbraw/zinc/27/32/47/506273247.db2.gz IBYACCRSMOKDIJ-FOIQADDNSA-N 0 3 368.456 3.496 20 30 FGEDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1(C)C ZINC000467429498 501792287 /nfs/dbraw/zinc/79/22/87/501792287.db2.gz LZQLXQBEHKFSNK-NZSAHSFTSA-N 0 3 357.498 3.342 20 30 FGEDHN CN(CCOc1cccc(Cl)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470757086 501792365 /nfs/dbraw/zinc/79/23/65/501792365.db2.gz RBADWIAARMCSDS-KRWDZBQOSA-N 0 3 367.836 3.431 20 30 FGEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1nc2ncccc2cc1C#N ZINC000596145034 506278976 /nfs/dbraw/zinc/27/89/76/506278976.db2.gz PDMIDACCZUCCGJ-GOSISDBHSA-N 0 3 357.461 3.460 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000485470104 501830204 /nfs/dbraw/zinc/83/02/04/501830204.db2.gz XCSKRXCQYASSGQ-HKUYNNGSSA-N 0 3 373.566 3.063 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)NC(C)(C)c2cccc(C#N)c2)c1 ZINC000596145266 506278366 /nfs/dbraw/zinc/27/83/66/506278366.db2.gz NJZOGNYFUBDAMO-UHFFFAOYSA-N 0 3 350.466 3.354 20 30 FGEDHN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470972237 501876935 /nfs/dbraw/zinc/87/69/35/501876935.db2.gz RNVBLOYLRKXVCH-XJABCFGWSA-N 0 3 359.429 3.096 20 30 FGEDHN COc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1Cl ZINC000471039388 501900081 /nfs/dbraw/zinc/90/00/81/501900081.db2.gz UZQAGGJLVLTRNB-INIZCTEOSA-N 0 3 353.809 3.219 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000481924268 501920275 /nfs/dbraw/zinc/92/02/75/501920275.db2.gz QYHYLOGUYWEZLO-OAQYLSRUSA-N 0 3 363.461 3.441 20 30 FGEDHN CNS(=O)(=O)c1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922248 501920392 /nfs/dbraw/zinc/92/03/92/501920392.db2.gz XTAFLDNPUQGNNE-FQEVSTJZSA-N 0 3 369.490 3.024 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000485853165 501962446 /nfs/dbraw/zinc/96/24/46/501962446.db2.gz ZJPQCVOYQMQKDK-CZUORRHYSA-N 0 3 353.447 3.258 20 30 FGEDHN CC#CCCNCc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000482128785 501982919 /nfs/dbraw/zinc/98/29/19/501982919.db2.gz RLCGGINZQPMCNI-UHFFFAOYSA-N 0 3 368.271 3.202 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCC(=O)NC1(C#N)CCCCC1 ZINC000482159241 501993801 /nfs/dbraw/zinc/99/38/01/501993801.db2.gz VCZHQGMVMUPHHQ-FQEVSTJZSA-N 0 3 370.541 3.075 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000475058588 502040490 /nfs/dbraw/zinc/04/04/90/502040490.db2.gz ZQIHQGRYFUPIKI-DYESRHJHSA-N 0 3 362.477 3.268 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(C(F)F)CC1)CCC2 ZINC000486137348 502060155 /nfs/dbraw/zinc/06/01/55/502060155.db2.gz MMEOCWPWNMBXIV-UHFFFAOYSA-N 0 3 353.438 3.414 20 30 FGEDHN CC(C)(C)[C@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464712556 502070841 /nfs/dbraw/zinc/07/08/41/502070841.db2.gz PGOGWCBFRQGFRT-MAUKXSAKSA-N 0 3 367.415 3.495 20 30 FGEDHN CC(C)(C)[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464712558 502071500 /nfs/dbraw/zinc/07/15/00/502071500.db2.gz PGOGWCBFRQGFRT-YJBOKZPZSA-N 0 3 367.415 3.495 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000588665663 506298570 /nfs/dbraw/zinc/29/85/70/506298570.db2.gz KZDRRIXVNHVTTP-FQEVSTJZSA-N 0 3 354.498 3.453 20 30 FGEDHN N#CC(C(=O)Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000461793586 502203536 /nfs/dbraw/zinc/20/35/36/502203536.db2.gz FKVYMESQVDJVNF-SNVBAGLBSA-N 0 3 350.256 3.254 20 30 FGEDHN CN(CCNC(=O)NC(C)(C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000596187666 506299481 /nfs/dbraw/zinc/29/94/81/506299481.db2.gz WJAHRRHHJJFFGQ-UHFFFAOYSA-N 0 3 350.466 3.225 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000479352733 502232757 /nfs/dbraw/zinc/23/27/57/502232757.db2.gz YDQLCLAMZMEVSZ-DLBZAZTESA-N 0 3 363.502 3.123 20 30 FGEDHN C=CCOc1ccccc1CN1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000475626458 502233424 /nfs/dbraw/zinc/23/34/24/502233424.db2.gz QJIUJKIAJVVTEJ-IBGZPJMESA-N 0 3 370.497 3.429 20 30 FGEDHN Cc1nc(N(CCN(C)C)Cc2ccc(C#N)cc2)c(Cl)cc1C#N ZINC000461941199 502246794 /nfs/dbraw/zinc/24/67/94/502246794.db2.gz JXVCVTSRZWTKJQ-UHFFFAOYSA-N 0 3 353.857 3.355 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C#N)c1cccc(OC)c1 ZINC000461945497 502247895 /nfs/dbraw/zinc/24/78/95/502247895.db2.gz DNRUKHRYSIMODG-BHIYHBOVSA-N 0 3 358.486 3.070 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@]3(CO)Cc3ccccc3)o2)c1 ZINC000475671439 502249927 /nfs/dbraw/zinc/24/99/27/502249927.db2.gz PVILQHXZJVYRGR-QFIPXVFZSA-N 0 3 374.444 3.178 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000465403007 502251778 /nfs/dbraw/zinc/25/17/78/502251778.db2.gz GHWSJPFVYBLPOR-KLHJMIIUSA-N 0 3 373.497 3.124 20 30 FGEDHN Cc1ncc(CNC(=O)CCN2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000602796951 506304392 /nfs/dbraw/zinc/30/43/92/506304392.db2.gz GRITVVGMCUITGF-UHFFFAOYSA-N 0 3 366.490 3.119 20 30 FGEDHN CC1CCN(CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000465530644 502291417 /nfs/dbraw/zinc/29/14/17/502291417.db2.gz UTJWSJBUKPAQPP-VQTJNVASSA-N 0 3 354.498 3.200 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCc2c1cccc2O)C(C)C ZINC000465538859 502296426 /nfs/dbraw/zinc/29/64/26/502296426.db2.gz GKVULELWZZRFPN-OALUTQOASA-N 0 3 357.498 3.377 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465539201 502298408 /nfs/dbraw/zinc/29/84/08/502298408.db2.gz JBTCHRBCEVQPFU-RLLQIKCJSA-N 0 3 354.498 3.200 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000462249348 502368003 /nfs/dbraw/zinc/36/80/03/502368003.db2.gz ZLXZQEQFGPAXNW-MRXNPFEDSA-N 0 3 353.441 3.391 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC/C=C/c2ccccc2)cc1 ZINC000483449289 502396655 /nfs/dbraw/zinc/39/66/55/502396655.db2.gz SJCDMFUUURFUMO-SBJJXXPASA-N 0 3 369.446 3.207 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000483554019 502428932 /nfs/dbraw/zinc/42/89/32/502428932.db2.gz YDIAYASSMIACGW-LBPRGKRZSA-N 0 3 368.418 3.498 20 30 FGEDHN C=CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483924156 502522605 /nfs/dbraw/zinc/52/26/05/502522605.db2.gz MCXJXJUIUNUISD-OAHLLOKOSA-N 0 3 362.412 3.422 20 30 FGEDHN CC(C)[C@H]1CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCN1C ZINC000487945578 502574592 /nfs/dbraw/zinc/57/45/92/502574592.db2.gz AQKFNWOUJCDGSD-FUHWJXTLSA-N 0 3 374.554 3.149 20 30 FGEDHN Cc1c(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000480456908 502575114 /nfs/dbraw/zinc/57/51/14/502575114.db2.gz UIKBSKANAAQSIL-UHFFFAOYSA-N 0 3 361.405 3.465 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CC[C@@H](C)O1 ZINC000473401246 502585190 /nfs/dbraw/zinc/58/51/90/502585190.db2.gz LZKVZTMLDPJSRT-CVEARBPZSA-N 0 3 350.532 3.152 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@](F)(C#N)C2)N(C)C)cc1 ZINC000588756919 506327726 /nfs/dbraw/zinc/32/77/26/506327726.db2.gz YHTQTJANNRBOOZ-AZUAARDMSA-N 0 3 360.477 3.135 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000484645360 502694374 /nfs/dbraw/zinc/69/43/74/502694374.db2.gz GKUIESKMDJQVKX-FBBABVLZSA-N 0 3 357.498 3.329 20 30 FGEDHN C=CCN1CC[C@H](N(C)CCCCCn2c(C)nc3ccccc32)C1=O ZINC000463206729 502719111 /nfs/dbraw/zinc/71/91/11/502719111.db2.gz SAWHLXXLCXXWEP-FQEVSTJZSA-N 0 3 354.498 3.234 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467042185 502767583 /nfs/dbraw/zinc/76/75/83/502767583.db2.gz ZZFPSMPSEBKTIW-FUHIMQAGSA-N 0 3 363.461 3.105 20 30 FGEDHN CN(C)C1(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CCC1 ZINC000474086117 502804604 /nfs/dbraw/zinc/80/46/04/502804604.db2.gz BNWWONAXNGGZHY-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H](c3ccc4cccnc4n3)C2)c1 ZINC000602887480 506337188 /nfs/dbraw/zinc/33/71/88/506337188.db2.gz LMMSLYGHNOMVAE-GOSISDBHSA-N 0 3 371.444 3.320 20 30 FGEDHN C[C@@H](C#N)CN(C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509237088 502856464 /nfs/dbraw/zinc/85/64/64/502856464.db2.gz YCEPPTXMTANUKM-YOEHRIQHSA-N 0 3 353.388 3.059 20 30 FGEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 ZINC000489116709 502882490 /nfs/dbraw/zinc/88/24/90/502882490.db2.gz NVCYHMOKNMQUNC-QGZVFWFLSA-N 0 3 350.528 3.304 20 30 FGEDHN N#Cc1ccc(C2CCN(C[C@H]3CN(c4ccccc4)CCO3)CC2)nc1 ZINC000602905071 506345009 /nfs/dbraw/zinc/34/50/09/506345009.db2.gz CRGHVRWAKQCJCK-NRFANRHFSA-N 0 3 362.477 3.038 20 30 FGEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC000513634171 502986326 /nfs/dbraw/zinc/98/63/26/502986326.db2.gz XCWRMKZFUOUSPW-JOCHJYFZSA-N 0 3 361.489 3.444 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)Nc3cccc(F)c3)CC2)nc1 ZINC000602908158 506346604 /nfs/dbraw/zinc/34/66/04/506346604.db2.gz AEDVJANNQBGYBZ-UHFFFAOYSA-N 0 3 352.413 3.301 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000514630656 503152737 /nfs/dbraw/zinc/15/27/37/503152737.db2.gz FSSCAQXIKIRYEM-QGZVFWFLSA-N 0 3 365.477 3.352 20 30 FGEDHN Cn1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1C#N ZINC000490537577 503191482 /nfs/dbraw/zinc/19/14/82/503191482.db2.gz BZEJBZAKJVYKBG-ZDUSSCGKSA-N 0 3 351.376 3.029 20 30 FGEDHN C=CCN(CCc1csc(C)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000502693959 503253359 /nfs/dbraw/zinc/25/33/59/503253359.db2.gz NDWCZEINQRTMGT-CQSZACIVSA-N 0 3 354.483 3.219 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C)cc1C)C(C)C ZINC000515153100 503281239 /nfs/dbraw/zinc/28/12/39/503281239.db2.gz PRRDDQAVGIVIIS-IBGZPJMESA-N 0 3 357.498 3.057 20 30 FGEDHN CN(C)[C@]1(CNc2cc(Br)c(C#N)cc2F)CCSC1 ZINC000515339556 503318065 /nfs/dbraw/zinc/31/80/65/503318065.db2.gz LRWUGKWUVKJECL-AWEZNQCLSA-N 0 3 358.280 3.309 20 30 FGEDHN N#Cc1cc(Cl)ccc1NCCCN1CCN(c2ccncc2)CC1 ZINC000511442550 503323352 /nfs/dbraw/zinc/32/33/52/503323352.db2.gz FPBWQIYVYLFZTQ-UHFFFAOYSA-N 0 3 355.873 3.231 20 30 FGEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000491992793 503342319 /nfs/dbraw/zinc/34/23/19/503342319.db2.gz ACMCKZKCNYWWQE-GFCCVEGCSA-N 0 3 370.375 3.057 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503378724 503397707 /nfs/dbraw/zinc/39/77/07/503397707.db2.gz UDHWGCBGOFDYKL-MSOLQXFVSA-N 0 3 358.530 3.212 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ncc4c(c3C#N)CCC4)CC2)C[C@H](C)O1 ZINC000515834149 503409463 /nfs/dbraw/zinc/40/94/63/503409463.db2.gz UIQXRWBIPMPNKK-CALCHBBNSA-N 0 3 368.525 3.158 20 30 FGEDHN CN(C)[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)Cc1ccccc1 ZINC000508090411 503428344 /nfs/dbraw/zinc/42/83/44/503428344.db2.gz XKJBKIFTBWGCLR-SFHVURJKSA-N 0 3 367.497 3.409 20 30 FGEDHN COc1cccc(OC)c1CNC1CCC(Oc2ncccc2C#N)CC1 ZINC000511991016 503430285 /nfs/dbraw/zinc/43/02/85/503430285.db2.gz QLGDKQQUXQXLRG-UHFFFAOYSA-N 0 3 367.449 3.450 20 30 FGEDHN N#Cc1ccc(OCC(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000508316380 503472975 /nfs/dbraw/zinc/47/29/75/503472975.db2.gz FMNHBFOGURKZCP-UHFFFAOYSA-N 0 3 355.482 3.100 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000508413023 503490008 /nfs/dbraw/zinc/49/00/08/503490008.db2.gz MPJLMVFKPNSETI-UHFFFAOYSA-N 0 3 357.498 3.411 20 30 FGEDHN C=CCn1c(-c2ccoc2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000508460894 503498583 /nfs/dbraw/zinc/49/85/83/503498583.db2.gz GLQDAYXVRDGPQT-UHFFFAOYSA-N 0 3 355.486 3.426 20 30 FGEDHN CN1C(=O)C[C@H](NCCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000494224379 503506810 /nfs/dbraw/zinc/50/68/10/503506810.db2.gz SMWSUVQBHYOTII-ICSRJNTNSA-N 0 3 369.852 3.152 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000494256408 503513590 /nfs/dbraw/zinc/51/35/90/503513590.db2.gz IZNPXLBKBWKZJO-ICSRJNTNSA-N 0 3 353.853 3.468 20 30 FGEDHN COC(=O)[C@H]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508622043 503530850 /nfs/dbraw/zinc/53/08/50/503530850.db2.gz VVGGSQRWHBZTHO-IBGZPJMESA-N 0 3 350.418 3.132 20 30 FGEDHN C=CCCc1ccccc1NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000504290142 503549877 /nfs/dbraw/zinc/54/98/77/503549877.db2.gz QSOFSCFNZUUMNT-RTBURBONSA-N 0 3 369.509 3.077 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC#Cc1cccc(F)c1)N(C)C ZINC000504452845 503576954 /nfs/dbraw/zinc/57/69/54/503576954.db2.gz WXJNHRHEYIRDCS-DYESRHJHSA-N 0 3 367.468 3.476 20 30 FGEDHN C=CCSCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508878406 503586436 /nfs/dbraw/zinc/58/64/36/503586436.db2.gz HOJHKWJEOYAYOD-KRWDZBQOSA-N 0 3 372.456 3.476 20 30 FGEDHN C[C@H](NCCNc1ccc(-c2ccccc2)nn1)c1ccc(C#N)cc1F ZINC000512647327 503602422 /nfs/dbraw/zinc/60/24/22/503602422.db2.gz HMIIRZASMKRKTF-HNNXBMFYSA-N 0 3 361.424 3.339 20 30 FGEDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(C#N)cc3F)cn2)CC1 ZINC000512659459 503605281 /nfs/dbraw/zinc/60/52/81/503605281.db2.gz HCDAUZPNFWKUTM-INIZCTEOSA-N 0 3 367.472 3.085 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000494881524 503629024 /nfs/dbraw/zinc/62/90/24/503629024.db2.gz WUKNZKMUBZLMCU-WOJBJXKFSA-N 0 3 359.514 3.446 20 30 FGEDHN CCOC(=O)CC(C)(C)CCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000517193922 503666741 /nfs/dbraw/zinc/66/67/41/503666741.db2.gz ZTVDRKIXRRUUMS-IBGZPJMESA-N 0 3 357.498 3.238 20 30 FGEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000527107864 503682009 /nfs/dbraw/zinc/68/20/09/503682009.db2.gz YLSCPBNYUHAGAP-MRXNPFEDSA-N 0 3 353.853 3.464 20 30 FGEDHN CCN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517236631 503688962 /nfs/dbraw/zinc/68/89/62/503688962.db2.gz CAJQXLQQKFOCPC-UWJYYQICSA-N 0 3 374.492 3.258 20 30 FGEDHN COc1cc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)cc(OC)c1 ZINC000533250542 503777935 /nfs/dbraw/zinc/77/79/35/503777935.db2.gz VGVYCSYOWLDZMG-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1Cc2ccccc2C1)C(C)C ZINC000517678273 503805667 /nfs/dbraw/zinc/80/56/67/503805667.db2.gz MVTUZNLOGYGVPI-NRFANRHFSA-N 0 3 355.526 3.494 20 30 FGEDHN C=CCC[C@H]1NC(=O)N([C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530210651 503877916 /nfs/dbraw/zinc/87/79/16/503877916.db2.gz HEXHBXXPNROBHL-CABCVRRESA-N 0 3 370.280 3.483 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000533670980 503917252 /nfs/dbraw/zinc/91/72/52/503917252.db2.gz TXEPBHCWNPNYRI-ULRHQZHYSA-N 0 3 361.530 3.054 20 30 FGEDHN CCN1CCC(NC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000543860664 503919431 /nfs/dbraw/zinc/91/94/31/503919431.db2.gz DSVOXTVMNCTQSV-UHFFFAOYSA-N 0 3 371.428 3.270 20 30 FGEDHN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC=CCC1 ZINC000544115894 504012813 /nfs/dbraw/zinc/01/28/13/504012813.db2.gz YSZKXARMHPSHKL-QGZVFWFLSA-N 0 3 364.411 3.461 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCN1CCCCC1 ZINC000530692373 504054962 /nfs/dbraw/zinc/05/49/62/504054962.db2.gz REYRJAYAVYLLLD-UHFFFAOYSA-N 0 3 363.575 3.071 20 30 FGEDHN CCC(C#N)(CC)c1nc(-c2ccc(OCCN(C)C)c(OC)c2)no1 ZINC000528101794 504071000 /nfs/dbraw/zinc/07/10/00/504071000.db2.gz IESOHGDNANHYIR-UHFFFAOYSA-N 0 3 358.442 3.267 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000518937322 504097956 /nfs/dbraw/zinc/09/79/56/504097956.db2.gz DZNSQSZRVSLGMC-FQEVSTJZSA-N 0 3 365.477 3.175 20 30 FGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000518939470 504099391 /nfs/dbraw/zinc/09/93/91/504099391.db2.gz XPAWWLAYMMVRQL-ROUUACIJSA-N 0 3 357.498 3.486 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000518967813 504106735 /nfs/dbraw/zinc/10/67/35/504106735.db2.gz OPTIZIWMSDXUOR-UWJYYQICSA-N 0 3 362.477 3.385 20 30 FGEDHN Cc1cccc2ncc(CN[C@H]3CCCN(c4ccc(C#N)cc4F)C3)n21 ZINC000530904124 504124721 /nfs/dbraw/zinc/12/47/21/504124721.db2.gz JSLZZJHKQHXUTR-KRWDZBQOSA-N 0 3 363.440 3.412 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CCN3C3CCCC3)CC2)cc1 ZINC000528288118 504149669 /nfs/dbraw/zinc/14/96/69/504149669.db2.gz LIWDSWWXILNKFT-OAQYLSRUSA-N 0 3 364.493 3.374 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000534470371 504150276 /nfs/dbraw/zinc/15/02/76/504150276.db2.gz KTIYSHLWHLNKMP-GOSISDBHSA-N 0 3 354.498 3.234 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CCN3C3CCCC3)CC2)cc1 ZINC000528288114 504150384 /nfs/dbraw/zinc/15/03/84/504150384.db2.gz LIWDSWWXILNKFT-NRFANRHFSA-N 0 3 364.493 3.374 20 30 FGEDHN CCc1ccc([C@H](CN2CCOCC2)NCc2ccc(CC#N)cc2)cc1 ZINC000519154391 504153320 /nfs/dbraw/zinc/15/33/20/504153320.db2.gz JBMDKOGBEYMXHL-QHCPKHFHSA-N 0 3 363.505 3.478 20 30 FGEDHN CCc1ccc([C@@H](CN2CCOCC2)NCc2ccc(CC#N)cc2)cc1 ZINC000519154390 504153450 /nfs/dbraw/zinc/15/34/50/504153450.db2.gz JBMDKOGBEYMXHL-HSZRJFAPSA-N 0 3 363.505 3.478 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528293678 504153739 /nfs/dbraw/zinc/15/37/39/504153739.db2.gz INAWSXFSPOSDOL-AZUAARDMSA-N 0 3 352.482 3.252 20 30 FGEDHN COc1ccc2c(c1)CCC[C@H]2N(C)C[C@@H](O)COc1ccccc1C#N ZINC000528363135 504187871 /nfs/dbraw/zinc/18/78/71/504187871.db2.gz GAXVCKHXFFKVHI-WIYYLYMNSA-N 0 3 366.461 3.316 20 30 FGEDHN CO[C@@H](Cc1ccc(F)cc1)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000528492098 504247080 /nfs/dbraw/zinc/24/70/80/504247080.db2.gz JYDRJKKILJRPJL-IBGZPJMESA-N 0 3 353.441 3.336 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(CCOCC2)[C@H]1C)C(C)C ZINC000541786676 504255238 /nfs/dbraw/zinc/25/52/38/504255238.db2.gz BNVICXBDZHWVBT-RTBURBONSA-N 0 3 363.546 3.286 20 30 FGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)COC2 ZINC000541882243 504289403 /nfs/dbraw/zinc/28/94/03/504289403.db2.gz SUQYNQDEKCDKCH-YCRPNKLZSA-N 0 3 361.445 3.435 20 30 FGEDHN N#Cc1ccc(C2(NC[C@H](O)c3c(F)cccc3F)CCOCC2)cc1 ZINC000528785481 504379084 /nfs/dbraw/zinc/37/90/84/504379084.db2.gz WWWISRRKEMVBOJ-SFHVURJKSA-N 0 3 358.388 3.165 20 30 FGEDHN C[C@@H]1CCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000519971391 504392071 /nfs/dbraw/zinc/39/20/71/504392071.db2.gz OXDQUQMIYBSEPN-XLIONFOSSA-N 0 3 356.514 3.458 20 30 FGEDHN C=CC[C@@H](CO)CNCc1cc(Br)ccc1OC(F)F ZINC000539223938 504502088 /nfs/dbraw/zinc/50/20/88/504502088.db2.gz QDMGAOUKGIMFJX-SNVBAGLBSA-N 0 3 350.203 3.325 20 30 FGEDHN CSC1c2cc(-c3noc(-c4ccc(C#N)c(C)n4)n3)ccc2NC1=O ZINC000545719665 504573639 /nfs/dbraw/zinc/57/36/39/504573639.db2.gz AKOFWDZZJCHGIO-HNNXBMFYSA-N 0 3 363.402 3.335 20 30 FGEDHN C[C@H](CCN1C(=O)c2ccccc2C1=O)NC1(c2cccc(C#N)c2)CC1 ZINC000520778695 504579869 /nfs/dbraw/zinc/57/98/69/504579869.db2.gz MEGJGCZQRJMNCM-OAHLLOKOSA-N 0 3 359.429 3.212 20 30 FGEDHN N#Cc1cc(C(=O)NCCCN2CCc3ccccc3C2)ccc1Cl ZINC000539785076 504684994 /nfs/dbraw/zinc/68/49/94/504684994.db2.gz UEFDIUXRJZANDV-UHFFFAOYSA-N 0 3 353.853 3.390 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CNC(C)(C)c2ccc(C)nc2)c(OC)c1 ZINC000546105522 504711013 /nfs/dbraw/zinc/71/10/13/504711013.db2.gz XKAWDQPZSHRMKS-LJQANCHMSA-N 0 3 370.493 3.392 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccncn1 ZINC000546154259 504728657 /nfs/dbraw/zinc/72/86/57/504728657.db2.gz YGHBHRJGAHKYSX-ZDUSSCGKSA-N 0 3 357.295 3.171 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000549292687 504784459 /nfs/dbraw/zinc/78/44/59/504784459.db2.gz UPURTEDKMCWMOO-GOSISDBHSA-N 0 3 366.513 3.289 20 30 FGEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)COC2 ZINC000562351671 504792168 /nfs/dbraw/zinc/79/21/68/504792168.db2.gz VXIDLCHCABTGCB-VFNWGFHPSA-N 0 3 361.445 3.040 20 30 FGEDHN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000565131192 504803928 /nfs/dbraw/zinc/80/39/28/504803928.db2.gz UBVOSJCKCMJCNF-KRWDZBQOSA-N 0 3 355.461 3.252 20 30 FGEDHN COc1ccc2ccccc2c1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000559290402 504822114 /nfs/dbraw/zinc/82/21/14/504822114.db2.gz CKTRIAPJNPWDGC-GOSISDBHSA-N 0 3 362.429 3.250 20 30 FGEDHN CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000549439794 504822205 /nfs/dbraw/zinc/82/22/05/504822205.db2.gz JBYPUHUERSDJHT-UHFFFAOYSA-N 0 3 366.513 3.395 20 30 FGEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000553148751 504838255 /nfs/dbraw/zinc/83/82/55/504838255.db2.gz AXIPIZVPJVIJMB-UHFFFAOYSA-N 0 3 363.387 3.244 20 30 FGEDHN C=CCc1cc(CNCc2ccc(Cn3cncn3)cc2)cc(OC)c1O ZINC000553238368 504860559 /nfs/dbraw/zinc/86/05/59/504860559.db2.gz DOFPASIISBCZCI-UHFFFAOYSA-N 0 3 364.449 3.059 20 30 FGEDHN N#Cc1cc(NC(=O)C2CCN(C3CC3)CC2)ccc1OCC(F)(F)F ZINC000549633053 504863876 /nfs/dbraw/zinc/86/38/76/504863876.db2.gz QMAATDBMTXGORP-UHFFFAOYSA-N 0 3 367.371 3.312 20 30 FGEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC000553378916 504898395 /nfs/dbraw/zinc/89/83/95/504898395.db2.gz COGLIULIOMINRR-HUUCEWRRSA-N 0 3 354.372 3.327 20 30 FGEDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(CC#N)cc1 ZINC000565774684 504983417 /nfs/dbraw/zinc/98/34/17/504983417.db2.gz KSURLTRZCODNCG-CQSZACIVSA-N 0 3 352.394 3.168 20 30 FGEDHN CC(C)n1cc([C@@H](C)NCC#CCN[C@H](C)c2cnn(C(C)C)c2)cn1 ZINC000560165074 505008317 /nfs/dbraw/zinc/00/83/17/505008317.db2.gz BDCJYHPGUOJAGB-QZTJIDSGSA-N 0 3 356.518 3.246 20 30 FGEDHN N#Cc1c2c(cnc1NC[C@@H]1CN(Cc3ccccc3)CCCO1)CCC2 ZINC000563019789 505022930 /nfs/dbraw/zinc/02/29/30/505022930.db2.gz ZVNPLPLEMZZUPY-LJQANCHMSA-N 0 3 362.477 3.145 20 30 FGEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(NC(=O)C2CC2)cc1 ZINC000560255558 505030923 /nfs/dbraw/zinc/03/09/23/505030923.db2.gz XQUPIUWCAPOIOV-AWEZNQCLSA-N 0 3 359.433 3.405 20 30 FGEDHN C[C@@H](CO)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCC1 ZINC000553909599 505039521 /nfs/dbraw/zinc/03/95/21/505039521.db2.gz MOUHUPZYAJPXOX-HNNXBMFYSA-N 0 3 363.889 3.212 20 30 FGEDHN C[C@@H]1[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC000566045019 505063153 /nfs/dbraw/zinc/06/31/53/505063153.db2.gz DOPYZSVFPDXEAT-FBEWHJACSA-N 0 3 359.473 3.441 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000566140330 505095177 /nfs/dbraw/zinc/09/51/77/505095177.db2.gz ZOCNZOWLFMRZOA-QRFRQXIXSA-N 0 3 357.498 3.102 20 30 FGEDHN CCOC(=O)CC(C)(C)CCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000554221979 505119592 /nfs/dbraw/zinc/11/95/92/505119592.db2.gz XSDDVLOSXQTJMS-UHFFFAOYSA-N 0 3 361.461 3.189 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)CN1Cc1ccccc1 ZINC000560555797 505125336 /nfs/dbraw/zinc/12/53/36/505125336.db2.gz DXDIEEPAYCJIFD-CRAIPNDOSA-N 0 3 351.425 3.019 20 30 FGEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000554272076 505130605 /nfs/dbraw/zinc/13/06/05/505130605.db2.gz GHKURLQCXDTIBJ-QWHCGFSZSA-N 0 3 353.388 3.349 20 30 FGEDHN C=CCC(C)(C)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000560600281 505140156 /nfs/dbraw/zinc/14/01/56/505140156.db2.gz BVDZTZNQCKALOC-FQEVSTJZSA-N 0 3 355.526 3.007 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)C1CC1 ZINC000560639028 505151362 /nfs/dbraw/zinc/15/13/62/505151362.db2.gz HJEMQVRNWFVFMR-NRFANRHFSA-N 0 3 365.452 3.267 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000551344905 505205686 /nfs/dbraw/zinc/20/56/86/505205686.db2.gz ZCGMLZBHWGTZJP-XLIONFOSSA-N 0 3 362.477 3.387 20 30 FGEDHN Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000554652173 505232358 /nfs/dbraw/zinc/23/23/58/505232358.db2.gz ITHUYIAIYUIJTD-UHFFFAOYSA-N 0 3 364.497 3.056 20 30 FGEDHN C[C@H](CN1CCOCC1)N(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000554735968 505251912 /nfs/dbraw/zinc/25/19/12/505251912.db2.gz ZUNVUJGXIYHIRM-HXUWFJFHSA-N 0 3 363.505 3.476 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CNC[C@@]1(C)OCCc2sccc21 ZINC000563953301 505287078 /nfs/dbraw/zinc/28/70/78/505287078.db2.gz HLQOLLPTMFPLRC-LAUBAEHRSA-N 0 3 373.518 3.294 20 30 FGEDHN CCc1ccc([C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)cc1 ZINC000564147413 505338339 /nfs/dbraw/zinc/33/83/39/505338339.db2.gz IIXSXPDNLSKYCO-FQEVSTJZSA-N 0 3 371.506 3.276 20 30 FGEDHN COC(=O)c1ccc(NC[C@@H](c2cccs2)N2CCCC2)c(C#N)n1 ZINC000558311755 505358904 /nfs/dbraw/zinc/35/89/04/505358904.db2.gz WQJZWSVLWJHHFQ-INIZCTEOSA-N 0 3 356.451 3.050 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000555144158 505362746 /nfs/dbraw/zinc/36/27/46/505362746.db2.gz FGYRJMKJCFTJLO-HOTGVXAUSA-N 0 3 372.469 3.182 20 30 FGEDHN Cc1nnc(NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c(C#N)c1C ZINC000561693030 505411321 /nfs/dbraw/zinc/41/13/21/505411321.db2.gz XGKZGTNYOAGKAR-IBGZPJMESA-N 0 3 353.470 3.467 20 30 FGEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000555420365 505428678 /nfs/dbraw/zinc/42/86/78/505428678.db2.gz BVBJOKMEDDHTPZ-AOIWGVFYSA-N 0 3 355.482 3.421 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000564571995 505457273 /nfs/dbraw/zinc/45/72/73/505457273.db2.gz ZDMMUAIFEDHBPC-OAHLLOKOSA-N 0 3 357.479 3.365 20 30 FGEDHN Cc1ccc([C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 ZINC000558718524 505472845 /nfs/dbraw/zinc/47/28/45/505472845.db2.gz WCMDVIWSGCWAKE-FQEVSTJZSA-N 0 3 354.475 3.381 20 30 FGEDHN CC(C)[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CCCO1 ZINC000552444077 505493312 /nfs/dbraw/zinc/49/33/12/505493312.db2.gz PNTHQFRVLGGEGG-LJQANCHMSA-N 0 3 353.470 3.106 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000567710607 505545384 /nfs/dbraw/zinc/54/53/84/505545384.db2.gz NRUKCLOFQUPZBX-OXQOHEQNSA-N 0 3 370.424 3.135 20 30 FGEDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(CC#N)cc1 ZINC000564962674 505563746 /nfs/dbraw/zinc/56/37/46/505563746.db2.gz DVCUDCDGWJAZPV-CQSZACIVSA-N 0 3 352.394 3.168 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599300226 506403292 /nfs/dbraw/zinc/40/32/92/506403292.db2.gz NXDFVYHOVKBTIN-MRXNPFEDSA-N 0 3 367.415 3.490 20 30 FGEDHN N#CC1(C[C@H](O)CNC(c2ccccc2)c2ccccc2)CCOCC1 ZINC000599312788 506407644 /nfs/dbraw/zinc/40/76/44/506407644.db2.gz WXICFULZKVCKIV-FQEVSTJZSA-N 0 3 350.462 3.437 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccc1OC(F)F ZINC000599347236 506420300 /nfs/dbraw/zinc/42/03/00/506420300.db2.gz FFHQKTJHIBNAQQ-UKRRQHHQSA-N 0 3 362.376 3.250 20 30 FGEDHN COc1ccc([C@@H](NC[C@@H](O)COc2ccccc2C#N)C2CC2)cc1 ZINC000599354892 506426306 /nfs/dbraw/zinc/42/63/06/506426306.db2.gz SIFUJVNPRCDQOW-NQIIRXRSSA-N 0 3 352.434 3.047 20 30 FGEDHN COc1ccc2oc([C@H](C)NC[C@@H](O)CC3(C#N)CCOCC3)c(C)c2c1 ZINC000599358384 506427549 /nfs/dbraw/zinc/42/75/49/506427549.db2.gz HQUSYSNFKVWLON-HOTGVXAUSA-N 0 3 372.465 3.472 20 30 FGEDHN N#Cc1cc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)ccn1 ZINC000603132591 506431653 /nfs/dbraw/zinc/43/16/53/506431653.db2.gz TUFYLJBUDMDXHT-AWEZNQCLSA-N 0 3 355.467 3.048 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)c1C ZINC000599412171 506444872 /nfs/dbraw/zinc/44/48/72/506444872.db2.gz GPZACRWJFRDYBO-UHFFFAOYSA-N 0 3 366.465 3.385 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000612117077 506445011 /nfs/dbraw/zinc/44/50/11/506445011.db2.gz QBAWIPPOJYYYAQ-QFBILLFUSA-N 0 3 360.527 3.295 20 30 FGEDHN CC[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(OC)c(OC)c1 ZINC000599414582 506445608 /nfs/dbraw/zinc/44/56/08/506445608.db2.gz GNNQUYJLAOMXEI-ZWKOTPCHSA-N 0 3 370.449 3.056 20 30 FGEDHN COCCOCc1cc(C#N)ccc1NC[C@H](c1ccsc1)N(C)C ZINC000603271345 506472465 /nfs/dbraw/zinc/47/24/65/506472465.db2.gz MOLBDWYIXQIZAK-LJQANCHMSA-N 0 3 359.495 3.498 20 30 FGEDHN C[C@@]1(NC(=O)NCCc2ccc(C#N)cc2)CCN(Cc2ccccc2)C1 ZINC000596668967 506521639 /nfs/dbraw/zinc/52/16/39/506521639.db2.gz DBEZAENWPWMVSS-JOCHJYFZSA-N 0 3 362.477 3.065 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596672362 506525029 /nfs/dbraw/zinc/52/50/29/506525029.db2.gz IFXAORATTHVSLC-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCC1(C#N)CCCC1)c1cccc(OC)c1 ZINC000593302563 506525956 /nfs/dbraw/zinc/52/59/56/506525956.db2.gz RADDGDWFSFJMOX-IBGZPJMESA-N 0 3 372.513 3.461 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc(C#N)n2)N(C)C)cc1 ZINC000589462253 506556848 /nfs/dbraw/zinc/55/68/48/506556848.db2.gz LQXUQYWLHGCLHO-HXUWFJFHSA-N 0 3 350.466 3.184 20 30 FGEDHN COc1cc(CN(C)C[C@H]2C[C@@H](O)C2)ccc1OCc1cccc(C#N)c1 ZINC000599669051 506567558 /nfs/dbraw/zinc/56/75/58/506567558.db2.gz AWQMQNQHHIEASU-BGYRXZFFSA-N 0 3 366.461 3.349 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C#N)CCCC1 ZINC000593370481 506580493 /nfs/dbraw/zinc/58/04/93/506580493.db2.gz LUBMQUCNVIKZEV-HKUYNNGSSA-N 0 3 354.498 3.280 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)NCC1(C#N)CCCC1)C1CC1 ZINC000593394421 506596956 /nfs/dbraw/zinc/59/69/56/506596956.db2.gz HMZXMINMGHKPJQ-LJQANCHMSA-N 0 3 354.498 3.280 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)NCC2(C#N)CCCC2)N(C)C)cc1 ZINC000593409929 506606055 /nfs/dbraw/zinc/60/60/55/506606055.db2.gz GFWDSAWVVPXYPH-IBGZPJMESA-N 0 3 372.513 3.460 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C(=O)OC(C)(C)C)CC=CCC2)CC1 ZINC000593452714 506627222 /nfs/dbraw/zinc/62/72/22/506627222.db2.gz DMDNPSCCARZVKI-NRFANRHFSA-N 0 3 362.514 3.211 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C2CC2)C2CC2)cc1 ZINC000596877787 506651118 /nfs/dbraw/zinc/65/11/18/506651118.db2.gz VKNYXYRIGBKEHH-GFCCVEGCSA-N 0 3 361.467 3.073 20 30 FGEDHN COc1cc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(F)cc1C#N ZINC000599814052 506652135 /nfs/dbraw/zinc/65/21/35/506652135.db2.gz SFHLPIBCIFQPCC-QFBILLFUSA-N 0 3 368.412 3.273 20 30 FGEDHN C[C@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCN(C2CCC2)C1 ZINC000589923442 506679202 /nfs/dbraw/zinc/67/92/02/506679202.db2.gz FTELEMWMJNDITG-QRWLVFNGSA-N 0 3 352.482 3.061 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC000596947793 506693563 /nfs/dbraw/zinc/69/35/63/506693563.db2.gz CSPHSKFCGKUJJM-UHFFFAOYSA-N 0 3 374.485 3.199 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(C2CC2)s1 ZINC000609168339 506802161 /nfs/dbraw/zinc/80/21/61/506802161.db2.gz DRUXGCHTLPKBJS-UHFFFAOYSA-N 0 3 354.479 3.096 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000609204481 506812946 /nfs/dbraw/zinc/81/29/46/506812946.db2.gz RBOMBRXSPPTKOT-AZUAARDMSA-N 0 3 354.425 3.121 20 30 FGEDHN Cc1nc(SCC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000604440504 506834075 /nfs/dbraw/zinc/83/40/75/506834075.db2.gz FHKKSKHNRGKDNQ-ZIAGYGMSSA-N 0 3 374.554 3.207 20 30 FGEDHN CCCOc1ccc(Br)cc1CNC1CCN(CC#N)CC1 ZINC000609334982 506857379 /nfs/dbraw/zinc/85/73/79/506857379.db2.gz NYAKFDZSWZHIAS-UHFFFAOYSA-N 0 3 366.303 3.315 20 30 FGEDHN C[C@H](O)[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000597249344 506860394 /nfs/dbraw/zinc/86/03/94/506860394.db2.gz QMXGVCFHIZXBMV-OXJNMPFZSA-N 0 3 361.449 3.070 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000593974636 506860769 /nfs/dbraw/zinc/86/07/69/506860769.db2.gz WAHGJSXZSNMYKX-SFHVURJKSA-N 0 3 374.488 3.199 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)CC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000597278748 506875318 /nfs/dbraw/zinc/87/53/18/506875318.db2.gz SEYMXHJPHJSXGQ-ICSRJNTNSA-N 0 3 369.509 3.208 20 30 FGEDHN CCC(C)(C)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000594020249 506887132 /nfs/dbraw/zinc/88/71/32/506887132.db2.gz DUCOUKWXVFJOEN-CQSZACIVSA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000594040699 506900753 /nfs/dbraw/zinc/90/07/53/506900753.db2.gz APVXTCMYXMCADY-MRXNPFEDSA-N 0 3 355.507 3.389 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000594052018 506908628 /nfs/dbraw/zinc/90/86/28/506908628.db2.gz XPYPWMHJOFEUII-YFXJRYMSSA-N 0 3 373.500 3.470 20 30 FGEDHN N#Cc1ccccc1OC1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000609556253 506920838 /nfs/dbraw/zinc/92/08/38/506920838.db2.gz SZMRXFQKWSRPQY-UHFFFAOYSA-N 0 3 370.497 3.033 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1C#N ZINC000594083521 506931522 /nfs/dbraw/zinc/93/15/22/506931522.db2.gz KDTXUFXMTLMNQO-ROUUACIJSA-N 0 3 356.470 3.484 20 30 FGEDHN COC(=O)[C@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCCCC1 ZINC000600409454 506940960 /nfs/dbraw/zinc/94/09/60/506940960.db2.gz IBGUDNPNNQVXBI-RBUKOAKNSA-N 0 3 356.466 3.245 20 30 FGEDHN CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000597421123 506942423 /nfs/dbraw/zinc/94/24/23/506942423.db2.gz FWWVFYRKXXYAFR-UHFFFAOYSA-N 0 3 364.497 3.005 20 30 FGEDHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000613213056 506974901 /nfs/dbraw/zinc/97/49/01/506974901.db2.gz NSJFHCFWJHGYBD-LLGFUMIMSA-N 0 3 362.477 3.439 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000613254424 506994830 /nfs/dbraw/zinc/99/48/30/506994830.db2.gz KYSAHKJYZKDQNI-INWMFGNUSA-N 0 3 351.372 3.483 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000613255530 506995019 /nfs/dbraw/zinc/99/50/19/506995019.db2.gz VNGHDQFJOVRQFJ-YUELXQCFSA-N 0 3 351.372 3.483 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594215824 507015837 /nfs/dbraw/zinc/01/58/37/507015837.db2.gz RFXNOTRMYREUNG-MOPGFXCFSA-N 0 3 372.538 3.108 20 30 FGEDHN Cc1nsc(NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1C#N ZINC000590966574 507065042 /nfs/dbraw/zinc/06/50/42/507065042.db2.gz RYJAFONHORJSCN-OAHLLOKOSA-N 0 3 355.467 3.061 20 30 FGEDHN CC(C)OCc1ccccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600717116 507080262 /nfs/dbraw/zinc/08/02/62/507080262.db2.gz INSNUPGRXOHXFH-HXUWFJFHSA-N 0 3 354.450 3.013 20 30 FGEDHN C[C@H]1Oc2c(cccc2C(=O)C(C#N)c2ccc3ccccc3n2)NC1=O ZINC000591020090 507080509 /nfs/dbraw/zinc/08/05/09/507080509.db2.gz QCHSJZZLMTWPHO-IUODEOHRSA-N 0 3 357.369 3.444 20 30 FGEDHN CC(C)(C)c1ccc(C#N)c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000613425589 507081429 /nfs/dbraw/zinc/08/14/29/507081429.db2.gz CQPLEDHVAOPMAR-QFIPXVFZSA-N 0 3 364.493 3.300 20 30 FGEDHN Cc1ccccc1[C@H](CO)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000591026704 507083821 /nfs/dbraw/zinc/08/38/21/507083821.db2.gz BCKPIHXNCICNAA-KRWDZBQOSA-N 0 3 369.490 3.069 20 30 FGEDHN C[C@H](CNC[C@H](O)COc1ccccc1C#N)Oc1ccc(Cl)cc1 ZINC000600726842 507084766 /nfs/dbraw/zinc/08/47/66/507084766.db2.gz HKEFAVLIZZNEJC-PBHICJAKSA-N 0 3 360.841 3.008 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccc(OC2CCCC2)cc1 ZINC000600725880 507085760 /nfs/dbraw/zinc/08/57/60/507085760.db2.gz YZLVOPUNPVSYGP-LJQANCHMSA-N 0 3 366.461 3.409 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000600734914 507090017 /nfs/dbraw/zinc/09/00/17/507090017.db2.gz GZERBTCTBMZZPD-YGRLFVJLSA-N 0 3 353.235 3.220 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNC[C@@H](c1ccccc1)C(F)(F)F ZINC000600733141 507090741 /nfs/dbraw/zinc/09/07/41/507090741.db2.gz BSSWICXBYDCGKK-SJORKVTESA-N 0 3 364.367 3.234 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccccc2CC(F)(F)F)cc1 ZINC000600757733 507104226 /nfs/dbraw/zinc/10/42/26/507104226.db2.gz AELFDUOSSMFARK-KRWDZBQOSA-N 0 3 364.367 3.193 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)[C@H]3CCCN(Cc4cccnc4)C3)CCC2)cc1 ZINC000594404040 507116246 /nfs/dbraw/zinc/11/62/46/507116246.db2.gz RWVUPPWIPWYXTL-FQEVSTJZSA-N 0 3 374.488 3.361 20 30 FGEDHN COc1cccc2c1OCC[C@@H]2NC(=O)C(C#N)CCc1ccccc1 ZINC000594419191 507124907 /nfs/dbraw/zinc/12/49/07/507124907.db2.gz ORJFCQVWKNMDFE-WMZOPIPTSA-N 0 3 350.418 3.408 20 30 FGEDHN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)cc1 ZINC000594424477 507126599 /nfs/dbraw/zinc/12/65/99/507126599.db2.gz FDEAQQVBJUVVND-OAHLLOKOSA-N 0 3 371.466 3.118 20 30 FGEDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[C@@H](N)CCCCC#N ZINC000594428261 507127513 /nfs/dbraw/zinc/12/75/13/507127513.db2.gz KYRKFGUKFHHHJG-SFHVURJKSA-N 0 3 371.460 3.018 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000594428252 507127526 /nfs/dbraw/zinc/12/75/26/507127526.db2.gz LVDVFAOTHYPXJQ-GOSISDBHSA-N 0 3 350.422 3.289 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000594445224 507136744 /nfs/dbraw/zinc/13/67/44/507136744.db2.gz ILEWNPBCLRDMFU-HNNXBMFYSA-N 0 3 358.269 3.037 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000594446065 507137191 /nfs/dbraw/zinc/13/71/91/507137191.db2.gz PBOSEWSYZHHEDX-OAHLLOKOSA-N 0 3 356.495 3.414 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000594449549 507139042 /nfs/dbraw/zinc/13/90/42/507139042.db2.gz JVPKEZJTPWYYCQ-OAHLLOKOSA-N 0 3 360.527 3.139 20 30 FGEDHN C[C@H](C(=O)N1CCC[C@H](CC#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000597914367 507171151 /nfs/dbraw/zinc/17/11/51/507171151.db2.gz UXWGQAXEKLUFLL-WIYYLYMNSA-N 0 3 353.510 3.482 20 30 FGEDHN COC(=O)COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594621833 507215278 /nfs/dbraw/zinc/21/52/78/507215278.db2.gz BFVCGMUPDHAQFE-UHFFFAOYSA-N 0 3 350.418 3.279 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000610433584 507237622 /nfs/dbraw/zinc/23/76/22/507237622.db2.gz VIIVQSKUAGKQFD-FQEVSTJZSA-N 0 3 373.460 3.315 20 30 FGEDHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)C(=O)NC1(C#N)CCCCC1 ZINC000594717160 507250304 /nfs/dbraw/zinc/25/03/04/507250304.db2.gz HUINVJSWRBKLIP-ULQDDVLXSA-N 0 3 361.530 3.433 20 30 FGEDHN Cn1cccc1[C@H]1CCCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610476750 507254724 /nfs/dbraw/zinc/25/47/24/507254724.db2.gz IJFKBPQJOYBJAB-GHTZIAJQSA-N 0 3 353.466 3.058 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](O)COCc1ccccc1F ZINC000584287176 507260494 /nfs/dbraw/zinc/26/04/94/507260494.db2.gz WINWUKKRIAUFJL-WIYYLYMNSA-N 0 3 354.425 3.242 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(OC3CC3)c2F)cc1 ZINC000598139772 507276222 /nfs/dbraw/zinc/27/62/22/507276222.db2.gz FEOZDKZDFVAKSE-QGZVFWFLSA-N 0 3 363.392 3.237 20 30 FGEDHN C[C@@H](NC1(CNC(=O)C2(C#N)CC3(CC3)C2)CCOCC1)c1ccccc1 ZINC000601171849 507285809 /nfs/dbraw/zinc/28/58/09/507285809.db2.gz ROGRGAUBALCRLB-QGZVFWFLSA-N 0 3 367.493 3.087 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000598194739 507305801 /nfs/dbraw/zinc/30/58/01/507305801.db2.gz HJOJRGBXJAHKJJ-KNQAVFIVSA-N 0 3 351.494 3.236 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000598195766 507308125 /nfs/dbraw/zinc/30/81/25/507308125.db2.gz RQIITADZKNFOFF-KRWDZBQOSA-N 0 3 369.415 3.225 20 30 FGEDHN COc1cccc([C@@]2(C)CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)c1 ZINC000598226134 507328044 /nfs/dbraw/zinc/32/80/44/507328044.db2.gz SRHMLRDONXTNQU-XXBNENTESA-N 0 3 373.456 3.439 20 30 FGEDHN COc1ccc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1OCCCC#N ZINC000594959625 507331158 /nfs/dbraw/zinc/33/11/58/507331158.db2.gz FUDKCTWYYRJRPG-LEHBWIKQSA-N 0 3 364.511 3.157 20 30 FGEDHN C[C@@H](CC(C)(C)c1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000591728347 507342225 /nfs/dbraw/zinc/34/22/25/507342225.db2.gz OVVDMWIKGZCHTN-INIZCTEOSA-N 0 3 371.506 3.073 20 30 FGEDHN C[C@@]1(c2ccccc2)CCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610676949 507342273 /nfs/dbraw/zinc/34/22/73/507342273.db2.gz HIMSFIFLPWSDLB-RBBKRZOGSA-N 0 3 350.462 3.156 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000610676967 507343292 /nfs/dbraw/zinc/34/32/92/507343292.db2.gz KRLYUUUWYSLCEP-AZUAARDMSA-N 0 3 354.425 3.121 20 30 FGEDHN C[C@@]1(c2ccccc2)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610676947 507343468 /nfs/dbraw/zinc/34/34/68/507343468.db2.gz HIMSFIFLPWSDLB-IFMALSPDSA-N 0 3 350.462 3.156 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000591749621 507347751 /nfs/dbraw/zinc/34/77/51/507347751.db2.gz CFQAERYZGIQNAX-GOEBONIOSA-N 0 3 374.428 3.290 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000598311386 507372418 /nfs/dbraw/zinc/37/24/18/507372418.db2.gz VFYMREFBXNDGOG-VAMGGRTRSA-N 0 3 351.450 3.048 20 30 FGEDHN C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598411284 507415134 /nfs/dbraw/zinc/41/51/34/507415134.db2.gz IMBHYRDCLDHXSV-UTKZUKDTSA-N 0 3 355.482 3.316 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000595270503 507445493 /nfs/dbraw/zinc/44/54/93/507445493.db2.gz XFJNRLRANYIIEJ-HNNXBMFYSA-N 0 3 354.479 3.106 20 30 FGEDHN N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595352675 507467820 /nfs/dbraw/zinc/46/78/20/507467820.db2.gz AYGAWAQQIHKGLZ-OAGGEKHMSA-N 0 3 352.438 3.364 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](c1ccncc1)C1(CO)CCC1 ZINC000598551704 507480826 /nfs/dbraw/zinc/48/08/26/507480826.db2.gz VBIMAITWMKMMHD-WOJBJXKFSA-N 0 3 363.461 3.174 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)N2CC[C@](C)(C#N)C2)c2cccs2)CC1 ZINC000595426522 507491706 /nfs/dbraw/zinc/49/17/06/507491706.db2.gz YEACSQMTUAQZSV-QFBILLFUSA-N 0 3 360.527 3.466 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@@H]1C ZINC000611092293 507513069 /nfs/dbraw/zinc/51/30/69/507513069.db2.gz OBPSLYCRJDNNEN-CABCVRRESA-N 0 3 374.554 3.099 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000598611336 507518214 /nfs/dbraw/zinc/51/82/14/507518214.db2.gz MNABCRSBEJHUNX-RISCZKNCSA-N 0 3 364.795 3.283 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000595479848 507520149 /nfs/dbraw/zinc/52/01/49/507520149.db2.gz NRYXASIPAUWGHB-IAGOWNOFSA-N 0 3 360.527 3.295 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCOc2c(Br)cccc21 ZINC000598619254 507520586 /nfs/dbraw/zinc/52/05/86/507520586.db2.gz NAMHOJUFNLQYRH-FZMZJTMJSA-N 0 3 353.260 3.163 20 30 FGEDHN COC(=O)c1cccc(CN2CC[C@@H](N(C)Cc3ccccc3)C2)c1C#N ZINC000611126778 507526938 /nfs/dbraw/zinc/52/69/38/507526938.db2.gz VARAFSZYELGSOS-LJQANCHMSA-N 0 3 363.461 3.051 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592182511 507527015 /nfs/dbraw/zinc/52/70/15/507527015.db2.gz CCAHYQMHEDICNY-MSOLQXFVSA-N 0 3 355.482 3.213 20 30 FGEDHN C=CCOc1ccc(CNCc2cc(C(=O)OC)c3n2CCCC3)cc1 ZINC000598644036 507531335 /nfs/dbraw/zinc/53/13/35/507531335.db2.gz WFUSBMFGCRBJDS-UHFFFAOYSA-N 0 3 354.450 3.466 20 30 FGEDHN COc1cc(CN2C[C@@H]3COC[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000601974062 507534546 /nfs/dbraw/zinc/53/45/46/507534546.db2.gz NCSHWOVJLWZYEZ-BGYRXZFFSA-N 0 3 364.445 3.224 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000595549638 507555896 /nfs/dbraw/zinc/55/58/96/507555896.db2.gz ULXOYGOMKGQBDC-IBGZPJMESA-N 0 3 373.378 3.206 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F)CCC2 ZINC000598799814 507607163 /nfs/dbraw/zinc/60/71/63/507607163.db2.gz KDLMWMSNNVXXSR-SKDRFNHKSA-N 0 3 374.384 3.031 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000586795065 507674200 /nfs/dbraw/zinc/67/42/00/507674200.db2.gz LWUHRZSLZDTXDR-AZUAARDMSA-N 0 3 352.482 3.205 20 30 FGEDHN COc1ccc(C[C@H]2CCCN(Cc3cnc4c(C#N)cnn4c3)C2)cc1 ZINC000592501542 507683198 /nfs/dbraw/zinc/68/31/98/507683198.db2.gz YZLBRSUUFAZYIG-QGZVFWFLSA-N 0 3 361.449 3.064 20 30 FGEDHN N#Cc1ccc(CN(C(=O)NC[C@H]2CCN2C2CCCC2)C2CC2)cc1 ZINC000602372973 507686435 /nfs/dbraw/zinc/68/64/35/507686435.db2.gz BQFNRECLNWZIDP-HXUWFJFHSA-N 0 3 352.482 3.249 20 30 FGEDHN N#CCN1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611519289 507719401 /nfs/dbraw/zinc/71/94/01/507719401.db2.gz NNBCUYHUTXREJQ-FQEVSTJZSA-N 0 3 350.422 3.262 20 30 FGEDHN COC(=O)c1cnc([C@@H]2CCCN(CCc3ccc(C#N)cc3)C2)s1 ZINC000595912372 507738281 /nfs/dbraw/zinc/73/82/81/507738281.db2.gz KQEOQOWNMFUIPF-MRXNPFEDSA-N 0 3 355.463 3.223 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)N1CCCCCC1 ZINC000588023606 507739048 /nfs/dbraw/zinc/73/90/48/507739048.db2.gz GUKSSQXVVUQIGS-MRXNPFEDSA-N 0 3 373.472 3.332 20 30 FGEDHN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000611566398 507742405 /nfs/dbraw/zinc/74/24/05/507742405.db2.gz DXLDHIJMEAJFOC-SJLPKXTDSA-N 0 3 358.511 3.092 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000602547802 507745960 /nfs/dbraw/zinc/74/59/60/507745960.db2.gz PEXACTDFEURLMY-RHSMWYFYSA-N 0 3 351.441 3.256 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000602548062 507746582 /nfs/dbraw/zinc/74/65/82/507746582.db2.gz WIXLMUZJXGPVMW-AWEZNQCLSA-N 0 3 362.271 3.239 20 30 FGEDHN N#Cc1ccc(OCCNCc2c(C(F)(F)F)nc3n2CCCC3)cc1 ZINC000602557033 507747709 /nfs/dbraw/zinc/74/77/09/507747709.db2.gz JDBLYIYTSCMBOD-UHFFFAOYSA-N 0 3 364.371 3.278 20 30 FGEDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000736195360 599315040 /nfs/dbraw/zinc/31/50/40/599315040.db2.gz GLADVVVWZGKKRX-OAHLLOKOSA-N 0 3 374.448 3.343 20 30 FGEDHN FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822723783 606426470 /nfs/dbraw/zinc/42/64/70/606426470.db2.gz OJENSBVYNHOISQ-UHFFFAOYSA-N 0 3 363.368 3.088 20 30 FGEDHN CCSc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000007834773 695577378 /nfs/dbraw/zinc/57/73/78/695577378.db2.gz CLYNHEUJOIGBHV-QMMMGPOBSA-N 0 3 356.523 3.384 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCSc2ccccn2)cc1 ZINC000120025836 700645987 /nfs/dbraw/zinc/64/59/87/700645987.db2.gz FFGOPTLJSYMGGM-INIZCTEOSA-N 0 3 353.447 3.474 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000130101276 700796273 /nfs/dbraw/zinc/79/62/73/700796273.db2.gz RJNFWQSIWUYTII-GFCCVEGCSA-N 0 3 361.716 3.348 20 30 FGEDHN N#CC(C(=O)CSC[C@H]1CCCCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000171364396 705382362 /nfs/dbraw/zinc/38/23/62/705382362.db2.gz PUGGYFPXVHOSFK-CABCVRRESA-N 0 3 366.870 3.290 20 30 FGEDHN CC(C)c1noc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000193401165 712890000 /nfs/dbraw/zinc/89/00/00/712890000.db2.gz LWBUIIXYSPPWHL-CYBMUJFWSA-N 0 3 360.801 3.127 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CCCO1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193405489 712890124 /nfs/dbraw/zinc/89/01/24/712890124.db2.gz AFKWNMUMPCBQFP-WCQYABFASA-N 0 3 354.378 3.218 20 30 FGEDHN CC#CC[C@@H](CO)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000641768670 717928761 /nfs/dbraw/zinc/92/87/61/717928761.db2.gz FTVJPVOIDQEPIZ-KRWDZBQOSA-N 0 3 356.853 3.456 20 30 FGEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(NS(C)(=O)=O)c1 ZINC000618805698 714779964 /nfs/dbraw/zinc/77/99/64/714779964.db2.gz OZKLEJHQKIATJJ-DJJJIMSYSA-N 0 3 355.463 3.268 20 30 FGEDHN C=CC[C@H]1CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000623969230 715443529 /nfs/dbraw/zinc/44/35/29/715443529.db2.gz ZJQOUDABEMKYFX-JEYLPNPQSA-N 0 3 359.436 3.399 20 30 FGEDHN O=C1c2ccccc2C(=O)N1CC#CCN[C@@H](c1cccs1)C1CC1 ZINC000625288001 715699859 /nfs/dbraw/zinc/69/98/59/715699859.db2.gz NNPMUARKAFCBLS-GOSISDBHSA-N 0 3 350.443 3.088 20 30 FGEDHN C=CCOc1c(Cl)cc(CN(C)[C@@H](C)CN2CCOCC2)cc1OC ZINC000628254001 716130790 /nfs/dbraw/zinc/13/07/90/716130790.db2.gz HTWBLAKRQCARER-HNNXBMFYSA-N 0 3 368.905 3.066 20 30 FGEDHN C=CCC[C@@H](CO)NCc1cc(OC(F)F)ccc1Br ZINC000647215821 718340700 /nfs/dbraw/zinc/34/07/00/718340700.db2.gz IDZYFYILKADQJL-NSHDSACASA-N 0 3 350.203 3.467 20 30 FGEDHN C=CCn1c(-c2scnc2C)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655615366 719314532 /nfs/dbraw/zinc/31/45/32/719314532.db2.gz WCQIKNWWABVHLK-UHFFFAOYSA-N 0 3 360.531 3.207 20 30 FGEDHN C=CCN1C(=O)CC[C@@]12CCCN(c1cc(CN(C)C)ccn1)[C@H]2CC ZINC001164700729 719823717 /nfs/dbraw/zinc/82/37/17/719823717.db2.gz MBDBYUPYMZBDDO-GHTZIAJQSA-N 0 3 356.514 3.069 20 30 FGEDHN C=CCN(CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H](C)COC ZINC000661239206 720213691 /nfs/dbraw/zinc/21/36/91/720213691.db2.gz DAHFBTAYEIDQNL-CYBMUJFWSA-N 0 3 360.527 3.218 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)CC1 ZINC000668083284 721236274 /nfs/dbraw/zinc/23/62/74/721236274.db2.gz GESGELKGRYKNLK-MRXNPFEDSA-N 0 3 351.397 3.245 20 30 FGEDHN C[C@@H](NC(=O)C1CCCC1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422282 722468390 /nfs/dbraw/zinc/46/83/90/722468390.db2.gz VMMMHMXCUZXSFZ-MFKMUULPSA-N 0 3 359.426 3.307 20 30 FGEDHN CC(Cc1ccc(Br)cc1F)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753927797 722918631 /nfs/dbraw/zinc/91/86/31/722918631.db2.gz FZFZCMPIEMTXAR-GASCZTMLSA-N 0 3 367.266 3.367 20 30 FGEDHN CO[C@@]1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000796499454 723640415 /nfs/dbraw/zinc/64/04/15/723640415.db2.gz BLYNMKPTJQGNKC-LIRRHRJNSA-N 0 3 357.479 3.364 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000796630036 723647501 /nfs/dbraw/zinc/64/75/01/723647501.db2.gz CUOHLBOSNWOWSO-JTQLQIEISA-N 0 3 368.409 3.201 20 30 FGEDHN C#CCNC(=O)C1CCN(Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000769027006 723674918 /nfs/dbraw/zinc/67/49/18/723674918.db2.gz ZCXUZXYZHWVPGU-UHFFFAOYSA-N 0 3 353.491 3.080 20 30 FGEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000770100041 723706087 /nfs/dbraw/zinc/70/60/87/723706087.db2.gz MOWUFYYMLGSOHV-CQSZACIVSA-N 0 3 357.797 3.483 20 30 FGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(N(C)C)c(F)c2)n1 ZINC000770118962 723706637 /nfs/dbraw/zinc/70/66/37/723706637.db2.gz NUGUKYRVAKOSRM-NSHDSACASA-N 0 3 361.398 3.015 20 30 FGEDHN COC(=O)CCCN1CCC(N=Nc2ncnc(Cl)c2C(C)C)CC1 ZINC000797404817 723812656 /nfs/dbraw/zinc/81/26/56/723812656.db2.gz IZMVUUCPTWWABZ-UHFFFAOYSA-N 0 3 367.881 3.070 20 30 FGEDHN CCOC(=O)N[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797568597 723835866 /nfs/dbraw/zinc/83/58/66/723835866.db2.gz JZZLHVKTGGQFEJ-YPMHNXCESA-N 0 3 351.472 3.388 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000797878372 723877257 /nfs/dbraw/zinc/87/72/57/723877257.db2.gz UVLXBNGAHZNFLM-BZNIZROVSA-N 0 3 356.260 3.234 20 30 FGEDHN C[C@@H]1CCOCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000775569076 724001023 /nfs/dbraw/zinc/00/10/23/724001023.db2.gz LLKIHGBUDKADGQ-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000778173469 724306749 /nfs/dbraw/zinc/30/67/49/724306749.db2.gz KPSJQQURQSFIAT-KSSFIOAISA-N 0 3 351.899 3.496 20 30 FGEDHN C[C@H](C#N)OCCN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000801931252 724347091 /nfs/dbraw/zinc/34/70/91/724347091.db2.gz VNJIIRGHDZBATR-BRWVUGGUSA-N 0 3 351.491 3.169 20 30 FGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000802044910 724354834 /nfs/dbraw/zinc/35/48/34/724354834.db2.gz ATYPDIAPHVDTAG-KBPBESRZSA-N 0 3 356.319 3.484 20 30 FGEDHN CN1C(=O)CC[C@H]1C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000784833754 724879964 /nfs/dbraw/zinc/87/99/64/724879964.db2.gz NFUMIGKKJWXVAS-ONGXEEELSA-N 0 3 367.352 3.112 20 30 FGEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531025 724986801 /nfs/dbraw/zinc/98/68/01/724986801.db2.gz MQOMPISLHXRZMD-MZMPZRCHSA-N 0 3 362.857 3.260 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)OCCCSCC#N)cc2)CC1 ZINC000805432050 725071604 /nfs/dbraw/zinc/07/16/04/725071604.db2.gz QAYWOVYUWXTVCW-UHFFFAOYSA-N 0 3 361.511 3.021 20 30 FGEDHN N#CC(C(=O)Cn1cc(Cl)cn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000808979485 725221801 /nfs/dbraw/zinc/22/18/01/725221801.db2.gz JAJDDIAMBTUDLS-JTQLQIEISA-N 0 3 371.611 3.191 20 30 FGEDHN N#CC(C(=O)COc1cc(F)cc(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000810528485 725312915 /nfs/dbraw/zinc/31/29/15/725312915.db2.gz SSUPHKSBGRVVIL-OAHLLOKOSA-N 0 3 364.735 3.345 20 30 FGEDHN C#CCNC(=O)CCN(CCC)[C@@H](C)c1ccccc1Br ZINC000815021797 727021042 /nfs/dbraw/zinc/02/10/42/727021042.db2.gz UCYBZMQFKDPKGU-AWEZNQCLSA-N 0 3 351.288 3.362 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)s1 ZINC000819541904 727381611 /nfs/dbraw/zinc/38/16/11/727381611.db2.gz ZTWZVQUQCDDTPY-QWHCGFSZSA-N 0 3 371.959 3.001 20 30 FGEDHN C#C[C@H](NCc1ccc(OCC(F)(F)F)c(OC)c1)C1CCOCC1 ZINC000827569880 729431872 /nfs/dbraw/zinc/43/18/72/729431872.db2.gz HNXAQIIMUIFCGU-HNNXBMFYSA-N 0 3 357.372 3.154 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000840789494 730174308 /nfs/dbraw/zinc/17/43/08/730174308.db2.gz ICFZHMOWRXOAIG-LPHOPBHVSA-N 0 3 356.539 3.197 20 30 FGEDHN CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(=O)NCc1cccs1 ZINC000842748846 730538892 /nfs/dbraw/zinc/53/88/92/730538892.db2.gz SQWJYUURTSSRGZ-KBXCAEBGSA-N 0 3 357.479 3.224 20 30 FGEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000845632683 730873322 /nfs/dbraw/zinc/87/33/22/730873322.db2.gz DMFHEPZGVUBVCX-CYBMUJFWSA-N 0 3 359.392 3.285 20 30 FGEDHN N#CC1(COC(=O)C2SCCS2)CCN(Cc2ccccc2)CC1 ZINC000847747674 731086555 /nfs/dbraw/zinc/08/65/55/731086555.db2.gz MWBVJRSCTUTSCQ-UHFFFAOYSA-N 0 3 362.520 3.142 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848351492 731158333 /nfs/dbraw/zinc/15/83/33/731158333.db2.gz DOTIDZAGFYLWBT-IRXDYDNUSA-N 0 3 350.384 3.190 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000848427562 731163794 /nfs/dbraw/zinc/16/37/94/731163794.db2.gz SCEXEYFLIVVAKM-GDBMZVCRSA-N 0 3 353.388 3.433 20 30 FGEDHN C=CCCCCCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000848563564 731182108 /nfs/dbraw/zinc/18/21/08/731182108.db2.gz VDDXGHZRWNUSOW-CQSZACIVSA-N 0 3 359.923 3.041 20 30 FGEDHN CO[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000850756624 731385359 /nfs/dbraw/zinc/38/53/59/731385359.db2.gz SHFJMHNTCNOZGE-ZKYQVNSYSA-N 0 3 368.405 3.464 20 30 FGEDHN C=CCCC[C@H](C)N1CCC(n2nncc2I)CC1 ZINC000852531979 731598073 /nfs/dbraw/zinc/59/80/73/731598073.db2.gz AISDYGITEGINRE-LBPRGKRZSA-N 0 3 374.270 3.264 20 30 FGEDHN C=C(Cl)C[C@H]1NC(=O)N(C[C@@H](c2ccc(SC)cc2)N(C)C)C1=O ZINC000865309758 733178617 /nfs/dbraw/zinc/17/86/17/733178617.db2.gz NTIKJLHMBJPMGO-CABCVRRESA-N 0 3 367.902 3.074 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)CC(F)F ZINC000865594762 733233851 /nfs/dbraw/zinc/23/38/51/733233851.db2.gz ZYWXDKCWSPSSOT-CYBMUJFWSA-N 0 3 357.376 3.335 20 30 FGEDHN COc1cc(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc(Br)c1[O-] ZINC000865849939 733281755 /nfs/dbraw/zinc/28/17/55/733281755.db2.gz YTBAKDUXGPYCRU-HNNXBMFYSA-N 0 3 373.250 3.292 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)O1 ZINC000870143623 733815850 /nfs/dbraw/zinc/81/58/50/733815850.db2.gz WHTIVUPZJOSCKN-LLHIFLOGSA-N 0 3 355.221 3.454 20 30 FGEDHN CCCCCCCCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875018784 735954303 /nfs/dbraw/zinc/95/43/03/735954303.db2.gz MDCUJRVJBLSXCN-UHFFFAOYSA-N 0 3 352.567 3.158 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000876595495 736118433 /nfs/dbraw/zinc/11/84/33/736118433.db2.gz BTCIAVBUKIGCSA-MRTMQBJTSA-N 0 3 366.733 3.482 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1cc(Br)no1 ZINC000878727820 736912072 /nfs/dbraw/zinc/91/20/72/736912072.db2.gz DGBPUUMYRYRHPP-GXFFZTMASA-N 0 3 350.216 3.035 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000880631289 737197108 /nfs/dbraw/zinc/19/71/08/737197108.db2.gz XACKURIEOSAZEJ-UHFFFAOYSA-N 0 3 368.275 3.230 20 30 FGEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cc(F)c(Cl)cc1Cl ZINC000884055654 737629223 /nfs/dbraw/zinc/62/92/23/737629223.db2.gz VKQPGCXMEPOESH-RVRXJTJDSA-N 0 3 370.255 3.449 20 30 FGEDHN COc1c(Cl)cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Cl ZINC000884116785 737634726 /nfs/dbraw/zinc/63/47/26/737634726.db2.gz FYXJKACUHHAUQP-MAXPVNGDSA-N 0 3 354.237 3.080 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC1(c3ccc(Cl)cc3)CCC1)C2 ZINC000884121729 737635403 /nfs/dbraw/zinc/63/54/03/737635403.db2.gz WVUZZRJFJVENPO-CZDRUDQFSA-N 0 3 357.885 3.017 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)CC1 ZINC000884161435 737638995 /nfs/dbraw/zinc/63/89/95/737638995.db2.gz GJGARLUUGJYNJX-MRXNPFEDSA-N 0 3 362.543 3.066 20 30 FGEDHN C#CCC1(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)CCOCC1 ZINC000887127822 739331959 /nfs/dbraw/zinc/33/19/59/739331959.db2.gz ZNZAXNSWVBINPY-MRXNPFEDSA-N 0 3 358.507 3.066 20 30 FGEDHN CCOC(=O)c1ncc(CNCCSCc2ccccc2C#N)s1 ZINC000892457635 740002443 /nfs/dbraw/zinc/00/24/43/740002443.db2.gz MUFGABCXGZPCQP-UHFFFAOYSA-N 0 3 361.492 3.214 20 30 FGEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000892491068 740005980 /nfs/dbraw/zinc/00/59/80/740005980.db2.gz CUNNMOOTDJEMRZ-OAHLLOKOSA-N 0 3 359.495 3.419 20 30 FGEDHN Cc1nc2scc(C3CC3)n2c1CNCCNc1ccc(C#N)cn1 ZINC000897396087 742675412 /nfs/dbraw/zinc/67/54/12/742675412.db2.gz GUGGIDCTPYSCCG-UHFFFAOYSA-N 0 3 352.467 3.050 20 30 FGEDHN COc1cccc(CN2CCC(NC(=O)c3ccsc3C#N)CC2)c1 ZINC000906339940 744118279 /nfs/dbraw/zinc/11/82/79/744118279.db2.gz IFJSGZMCYDONKP-UHFFFAOYSA-N 0 3 355.463 3.023 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1SC[C@@H]1CCCN1C ZINC000915822213 757988631 /nfs/dbraw/zinc/98/86/31/757988631.db2.gz LVUKLFNXLVKZQM-AWEZNQCLSA-N 0 3 362.474 3.369 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ncccn1 ZINC000916409625 758079844 /nfs/dbraw/zinc/07/98/44/758079844.db2.gz KEMYPJSKSAROKH-OAHLLOKOSA-N 0 3 358.515 3.136 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)cc1C ZINC000916873194 758148152 /nfs/dbraw/zinc/14/81/52/758148152.db2.gz QFCIGNOIUURDMX-OAHLLOKOSA-N 0 3 350.846 3.433 20 30 FGEDHN C#CCN1CCC(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000919963742 758495769 /nfs/dbraw/zinc/49/57/69/758495769.db2.gz AEGDQQROVUBBNK-UHFFFAOYSA-N 0 3 373.547 3.184 20 30 FGEDHN N#Cc1ccc(Br)c(CNCCCO[C@@H]2CCCCO2)c1 ZINC000922233541 758875925 /nfs/dbraw/zinc/87/59/25/758875925.db2.gz XSVKAXBPXRJVAT-MRXNPFEDSA-N 0 3 353.260 3.344 20 30 FGEDHN C#CCN(C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1)C1CCN(C)CC1 ZINC000922638191 758966832 /nfs/dbraw/zinc/96/68/32/758966832.db2.gz VEBMXEQRKBXSQH-WKILWMFISA-N 0 3 359.901 3.325 20 30 FGEDHN C[C@@H](O)CCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945036 761281787 /nfs/dbraw/zinc/28/17/87/761281787.db2.gz PVRVDFIJHTYPHG-HLTSFMKQSA-N 0 3 355.269 3.250 20 30 FGEDHN CCC[C@H](O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945066 761282527 /nfs/dbraw/zinc/28/25/27/761282527.db2.gz QPHWCFXPWHMVBV-CIUDSAMLSA-N 0 3 355.269 3.250 20 30 FGEDHN Cn1cc([C@@H]2CSCCCN2CCCOc2cccc(C#N)c2)cn1 ZINC000933979853 761513543 /nfs/dbraw/zinc/51/35/43/761513543.db2.gz BIDOVMHACFTYAI-IBGZPJMESA-N 0 3 356.495 3.241 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(C)sc2C)C1 ZINC000972526787 762968435 /nfs/dbraw/zinc/96/84/35/762968435.db2.gz LFTXDIYZBGQJPY-QYZOEREBSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCc2ccsc2)CC1(C)C ZINC000975067311 763088630 /nfs/dbraw/zinc/08/86/30/763088630.db2.gz WEBAWIYLFNULQR-FGTMMUONSA-N 0 3 362.539 3.098 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC001000428452 765225262 /nfs/dbraw/zinc/22/52/62/765225262.db2.gz SXROBBNENKVOJL-KEYYUXOJSA-N 0 3 368.930 3.463 20 30 FGEDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018841019 765845379 /nfs/dbraw/zinc/84/53/79/765845379.db2.gz UDDYEFZYSXNZIP-IAOVAPTHSA-N 0 3 371.531 3.484 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NCc2c(C)cccc2Cl)C1 ZINC001019500255 765860130 /nfs/dbraw/zinc/86/01/30/765860130.db2.gz MAMNOTUJYHZNDX-BXWFABGCSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(C)cc2Cl)C1 ZINC001020168031 765865887 /nfs/dbraw/zinc/86/58/87/765865887.db2.gz RMNNVVHNKGITNX-MTNOOBJLSA-N 0 3 362.901 3.366 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001022099855 765973351 /nfs/dbraw/zinc/97/33/51/765973351.db2.gz RGXSMVXIVAZDRC-OLMMMNRUSA-N 0 3 362.901 3.366 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001033432454 766215059 /nfs/dbraw/zinc/21/50/59/766215059.db2.gz OJCYRPFPEZTJSW-QRVBRYPASA-N 0 3 362.901 3.006 20 30 FGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001040443080 766305467 /nfs/dbraw/zinc/30/54/67/766305467.db2.gz GUZJTHGIZUBILY-ZVDOUQERSA-N 0 3 356.897 3.391 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC001041293495 766330423 /nfs/dbraw/zinc/33/04/23/766330423.db2.gz GCNABPHITFYWKY-WSTZPKSXSA-N 0 3 360.523 3.154 20 30 FGEDHN C=C(Br)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@]13C[C@H]1CCC3)C2 ZINC001048550484 766717044 /nfs/dbraw/zinc/71/70/44/766717044.db2.gz YELOVUMQYPVFAM-XLKGFZLASA-N 0 3 367.331 3.444 20 30 FGEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1 ZINC001052389845 766897636 /nfs/dbraw/zinc/89/76/36/766897636.db2.gz ZRYXAJQXWCFYFO-JWRYVHENSA-N 0 3 356.432 3.205 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000097473588 209181490 /nfs/dbraw/zinc/18/14/90/209181490.db2.gz NQFRZLLSOGXQDH-UHFFFAOYSA-N 0 3 362.474 3.180 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000047950759 257343287 /nfs/dbraw/zinc/34/32/87/257343287.db2.gz GBKZDNIFARCTAJ-KRWDZBQOSA-N 0 3 354.479 3.256 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](n3cccn3)C2)cc1Cl ZINC000102409827 257350527 /nfs/dbraw/zinc/35/05/27/257350527.db2.gz YJPZZRUQPMSYFH-INIZCTEOSA-N 0 3 357.845 3.074 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000573765539 505613734 /nfs/dbraw/zinc/61/37/34/505613734.db2.gz HAPNMYGKSOLLEI-WQFMGJDKSA-N 0 3 361.873 3.332 20 30 FGEDHN CC(C)[C@H](NC[C@H](O)CN(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000570956218 505620506 /nfs/dbraw/zinc/62/05/06/505620506.db2.gz YCLNEGPOZROLIM-IRXDYDNUSA-N 0 3 357.420 3.198 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000576914115 505622687 /nfs/dbraw/zinc/62/26/87/505622687.db2.gz VCIFYCQLYTVCHU-NJYVYQBISA-N 0 3 372.509 3.462 20 30 FGEDHN CCN(CCN1CCCCCC1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000573989794 505668016 /nfs/dbraw/zinc/66/80/16/505668016.db2.gz CZGVSPOZOSFSRO-UHFFFAOYSA-N 0 3 365.481 3.082 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCN1C ZINC000574006405 505671654 /nfs/dbraw/zinc/67/16/54/505671654.db2.gz QFNPILXPHMUNAK-ZBFHGGJFSA-N 0 3 365.437 3.350 20 30 FGEDHN C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)C1CC1 ZINC000057709072 493788830 /nfs/dbraw/zinc/78/88/30/493788830.db2.gz RVTYBPYMQSGOJW-MRXNPFEDSA-N 0 3 363.461 3.350 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000028917784 493807176 /nfs/dbraw/zinc/80/71/76/493807176.db2.gz KACYCAIWNUKWNV-KKSFZXQISA-N 0 3 368.477 3.464 20 30 FGEDHN N#CC(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813525 493847538 /nfs/dbraw/zinc/84/75/38/493847538.db2.gz KTLXNPPTVQNOAV-HNNXBMFYSA-N 0 3 372.344 3.147 20 30 FGEDHN CN1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000577197976 505685460 /nfs/dbraw/zinc/68/54/60/505685460.db2.gz HYSBPOKMZKLEHN-QUCCMNQESA-N 0 3 358.445 3.328 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000030231818 493880875 /nfs/dbraw/zinc/88/08/75/493880875.db2.gz XJGFSPPKIUVOAG-YLJYHZDGSA-N 0 3 363.461 3.279 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000050030081 493893184 /nfs/dbraw/zinc/89/31/84/493893184.db2.gz SGFPMYBDYKPDLV-QGZVFWFLSA-N 0 3 372.509 3.252 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)o1 ZINC000081613881 493929634 /nfs/dbraw/zinc/92/96/34/493929634.db2.gz KNPNVUSYECSZIQ-VQTJNVASSA-N 0 3 351.450 3.154 20 30 FGEDHN COCCN1CCC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000069526808 493979580 /nfs/dbraw/zinc/97/95/80/493979580.db2.gz CVQOJSGOXUXCAT-GOSISDBHSA-N 0 3 363.461 3.066 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCCCO1 ZINC000052485666 494028447 /nfs/dbraw/zinc/02/84/47/494028447.db2.gz GTYYMHFYWJMCHA-INIZCTEOSA-N 0 3 350.532 3.154 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C1CCC(C)CC1 ZINC000052661971 494052219 /nfs/dbraw/zinc/05/22/19/494052219.db2.gz QATBMLPGELYPRY-UHFFFAOYSA-N 0 3 374.529 3.462 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CC)Oc2cccc(F)c2)CC1 ZINC000084637805 494089718 /nfs/dbraw/zinc/08/97/18/494089718.db2.gz UFEJXQXXQAGCDB-GOSISDBHSA-N 0 3 363.477 3.323 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000077536702 494107604 /nfs/dbraw/zinc/10/76/04/494107604.db2.gz DOJLPCIAOPNLMB-IBGZPJMESA-N 0 3 366.465 3.027 20 30 FGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000064350149 494116486 /nfs/dbraw/zinc/11/64/86/494116486.db2.gz PWVBVAVPZXCYAJ-IBGZPJMESA-N 0 3 369.421 3.117 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000072604984 494215860 /nfs/dbraw/zinc/21/58/60/494215860.db2.gz ZEHWDZNXRPAXKN-SFHVURJKSA-N 0 3 363.417 3.453 20 30 FGEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000577327879 505706335 /nfs/dbraw/zinc/70/63/35/505706335.db2.gz KRCZKAAZTVNTQE-GOSISDBHSA-N 0 3 352.413 3.483 20 30 FGEDHN Cc1cc(C)cc(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065931332 494258406 /nfs/dbraw/zinc/25/84/06/494258406.db2.gz DOVRTPPXEMXNCT-UHFFFAOYSA-N 0 3 365.477 3.144 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000065963905 494262071 /nfs/dbraw/zinc/26/20/71/494262071.db2.gz SMYCBCMLQNFHGS-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000066392794 494326014 /nfs/dbraw/zinc/32/60/14/494326014.db2.gz BLTRKLCPFPACLN-GOSISDBHSA-N 0 3 374.525 3.146 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(NC3CCN([C@H]4CCOC4)CC3)c2c1 ZINC000089602865 494330525 /nfs/dbraw/zinc/33/05/25/494330525.db2.gz SVACGWHOUYWULT-SFHVURJKSA-N 0 3 350.466 3.389 20 30 FGEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1occc1COc1cccc(C#N)c1)C2 ZINC000073992498 494463090 /nfs/dbraw/zinc/46/30/90/494463090.db2.gz MUOBNTJHYHICCI-ZWKOTPCHSA-N 0 3 365.433 3.039 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(-c3cncnc3)cc2)CC1 ZINC000074132522 494485757 /nfs/dbraw/zinc/48/57/57/494485757.db2.gz RGHCSVLWLOYZCE-MRXNPFEDSA-N 0 3 365.481 3.154 20 30 FGEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccccc1Oc1ccccc1 ZINC000571396642 505723776 /nfs/dbraw/zinc/72/37/76/505723776.db2.gz JAVQEMTUGSMOQC-ZWKOTPCHSA-N 0 3 353.466 3.336 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCCCCC1 ZINC000074566115 494560156 /nfs/dbraw/zinc/56/01/56/494560156.db2.gz TVNFERNGYGOMMW-QGZVFWFLSA-N 0 3 355.482 3.193 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000046893175 494579352 /nfs/dbraw/zinc/57/93/52/494579352.db2.gz FZSRDFWTBHOMIZ-UHFFFAOYSA-N 0 3 362.477 3.148 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000080070487 494585808 /nfs/dbraw/zinc/58/58/08/494585808.db2.gz GTPKLPQZUZYDPW-DYESRHJHSA-N 0 3 362.477 3.411 20 30 FGEDHN Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000568592453 505730744 /nfs/dbraw/zinc/73/07/44/505730744.db2.gz YUXHSCWNDCSIOM-FPDPHYFHSA-N 0 3 363.465 3.127 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccco2)on1 ZINC000047011375 494617043 /nfs/dbraw/zinc/61/70/43/494617043.db2.gz FSTIOYYFQNLEPO-UHFFFAOYSA-N 0 3 364.405 3.010 20 30 FGEDHN CC(C)n1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000574272530 505735027 /nfs/dbraw/zinc/73/50/27/505735027.db2.gz MVATUNZIPJHNPH-GOSISDBHSA-N 0 3 350.470 3.071 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CC1 ZINC000116030202 494682231 /nfs/dbraw/zinc/68/22/31/494682231.db2.gz CQASKFNWXSJXDR-RUZDIDTESA-N 0 3 360.523 3.018 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000108466463 494713697 /nfs/dbraw/zinc/71/36/97/494713697.db2.gz ZSBDEXNBHHTUOW-PZJWPPBQSA-N 0 3 365.477 3.381 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000067979818 494718518 /nfs/dbraw/zinc/71/85/18/494718518.db2.gz NIBCWTDHVGGGFC-AWEZNQCLSA-N 0 3 351.233 3.395 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000131831997 494747625 /nfs/dbraw/zinc/74/76/25/494747625.db2.gz UTVRYKWBAYCYIS-UHFFFAOYSA-N 0 3 374.872 3.423 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000068132851 494772180 /nfs/dbraw/zinc/77/21/80/494772180.db2.gz QRNKLHMSEJGACM-LJQANCHMSA-N 0 3 357.523 3.268 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(N3CCO[C@H](C)C3)CC2)ccc1OC ZINC000092091225 494783671 /nfs/dbraw/zinc/78/36/71/494783671.db2.gz CGKFJBTVZAFUAK-GOSISDBHSA-N 0 3 374.525 3.335 20 30 FGEDHN C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000047933183 494796543 /nfs/dbraw/zinc/79/65/43/494796543.db2.gz QNYDDXMHVNXOPJ-OXJNMPFZSA-N 0 3 350.466 3.091 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1F ZINC000108963744 494812452 /nfs/dbraw/zinc/81/24/52/494812452.db2.gz DEMCTGMJDBSBJA-MRXNPFEDSA-N 0 3 353.441 3.391 20 30 FGEDHN CN(CCNC(=O)N[C@H](CCC#N)c1ccccc1)Cc1ccccc1 ZINC000132071618 494814179 /nfs/dbraw/zinc/81/41/79/494814179.db2.gz AOKKNDLYZUDXBN-HXUWFJFHSA-N 0 3 350.466 3.463 20 30 FGEDHN C[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000093121464 494828406 /nfs/dbraw/zinc/82/84/06/494828406.db2.gz ACWCAQOFRSYMDX-MRXNPFEDSA-N 0 3 363.465 3.230 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000093300385 494863496 /nfs/dbraw/zinc/86/34/96/494863496.db2.gz OIUIMPCNXPORMO-UHFFFAOYSA-N 0 3 366.509 3.436 20 30 FGEDHN CC(C)(C)[S@](=O)CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000116922104 494871556 /nfs/dbraw/zinc/87/15/56/494871556.db2.gz OCLWJXRSHIJDAI-VWLOTQADSA-N 0 3 358.511 3.101 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](C)c1ccccc1 ZINC000132508469 494885573 /nfs/dbraw/zinc/88/55/73/494885573.db2.gz RVFLWBKJBZSXCP-MRXNPFEDSA-N 0 3 368.481 3.302 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000574344177 505751354 /nfs/dbraw/zinc/75/13/54/505751354.db2.gz GSHCOBRPMQVLSU-YJBOKZPZSA-N 0 3 354.479 3.136 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@](C)(CO)C2CCCCC2)c1 ZINC000133021882 494956905 /nfs/dbraw/zinc/95/69/05/494956905.db2.gz FAGAXSDGYRBYGL-JOCHJYFZSA-N 0 3 371.525 3.471 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CSc2ccccc21 ZINC000118228406 494984784 /nfs/dbraw/zinc/98/47/84/494984784.db2.gz DIWKHQDBPFIVNW-IBGZPJMESA-N 0 3 365.502 3.338 20 30 FGEDHN Cc1ncsc1C(=O)NC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118395408 495000015 /nfs/dbraw/zinc/00/00/15/495000015.db2.gz PNPKSVJOTFATHI-AWEZNQCLSA-N 0 3 354.479 3.279 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccc(C)cc3)CCOCC2)CC1 ZINC000110734299 495004834 /nfs/dbraw/zinc/00/48/34/495004834.db2.gz LDLGAANOQYVITP-UHFFFAOYSA-N 0 3 356.510 3.200 20 30 FGEDHN N#Cc1nc(NCCCN2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000111218322 495050654 /nfs/dbraw/zinc/05/06/54/495050654.db2.gz RIPLLFWYLAICDB-UHFFFAOYSA-N 0 3 369.900 3.226 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C#N ZINC000111307988 495063101 /nfs/dbraw/zinc/06/31/01/495063101.db2.gz DRUADOMJTCQKAX-MRXNPFEDSA-N 0 3 368.506 3.155 20 30 FGEDHN CC1(C)CN(c2cnc(C#N)cn2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000568719459 505760505 /nfs/dbraw/zinc/76/05/05/505760505.db2.gz CKRHPPHEYALCOT-OAQYLSRUSA-N 0 3 361.493 3.475 20 30 FGEDHN CCN(CC)[C@@H](CNCc1cnc2ccc(C#N)cn12)c1ccsc1 ZINC000123284075 495108883 /nfs/dbraw/zinc/10/88/83/495108883.db2.gz JBSUVIRARHCKEE-SFHVURJKSA-N 0 3 353.495 3.440 20 30 FGEDHN CCN1CCC[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000111836776 495118808 /nfs/dbraw/zinc/11/88/08/495118808.db2.gz GLNPKMIDYOFRIU-JLAWEPINSA-N 0 3 370.497 3.032 20 30 FGEDHN CCCCn1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000119500567 495179022 /nfs/dbraw/zinc/17/90/22/495179022.db2.gz OPSMVAANLKTXIG-UHFFFAOYSA-N 0 3 367.497 3.067 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000112458548 495195156 /nfs/dbraw/zinc/19/51/56/495195156.db2.gz UWSWZZQSUPOMEP-MRXNPFEDSA-N 0 3 366.465 3.098 20 30 FGEDHN Cc1sc(NC(=O)CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000134911475 495221300 /nfs/dbraw/zinc/22/13/00/495221300.db2.gz CACNCTZWUOCMHE-CRAIPNDOSA-N 0 3 372.538 3.124 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(F)c(NC(C)=O)c1)C(C)C ZINC000112919912 495258296 /nfs/dbraw/zinc/25/82/96/495258296.db2.gz WGFRMAFMGFTXDD-LJQANCHMSA-N 0 3 361.461 3.213 20 30 FGEDHN CN(C(=O)CNc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000113208329 495283417 /nfs/dbraw/zinc/28/34/17/495283417.db2.gz XTIJJXALTPRQNL-UHFFFAOYSA-N 0 3 362.477 3.093 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2ccncc2)on1)C(C)C ZINC000120087757 495304211 /nfs/dbraw/zinc/30/42/11/495304211.db2.gz NZUGLFDVBFXFJI-SFHVURJKSA-N 0 3 354.454 3.165 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CN3CCSCC3)cc2)CC1 ZINC000106035391 495405913 /nfs/dbraw/zinc/40/59/13/495405913.db2.gz FAKNHAQEAZHPRQ-UHFFFAOYSA-N 0 3 373.566 3.006 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2Br)CC1 ZINC000106035477 495406371 /nfs/dbraw/zinc/40/63/71/495406371.db2.gz WMNLPJVQZAXMHA-UHFFFAOYSA-N 0 3 367.287 3.228 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000106035820 495406383 /nfs/dbraw/zinc/40/63/83/495406383.db2.gz PMCMOHPKDPPDGP-UHFFFAOYSA-N 0 3 367.449 3.302 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114750881 495421199 /nfs/dbraw/zinc/42/11/99/495421199.db2.gz ZSXRZWONHUILGU-FQEVSTJZSA-N 0 3 363.461 3.240 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1 ZINC000106267987 495441112 /nfs/dbraw/zinc/44/11/12/495441112.db2.gz MYLLMPKFXHOLIV-UHFFFAOYSA-N 0 3 373.497 3.033 20 30 FGEDHN C=CCn1c(SCCN(CC)CC)nnc1[C@H]1COc2ccccc2O1 ZINC000131170784 495501420 /nfs/dbraw/zinc/50/14/20/495501420.db2.gz VHPZDJDSLYZJGP-QGZVFWFLSA-N 0 3 374.510 3.411 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)s1 ZINC000571666179 505786260 /nfs/dbraw/zinc/78/62/60/505786260.db2.gz CVYWGFOIJQROTD-MRXNPFEDSA-N 0 3 354.479 3.084 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000574512323 505789089 /nfs/dbraw/zinc/78/90/89/505789089.db2.gz PIQYJNMYZPOEQH-LSDHHAIUSA-N 0 3 374.428 3.290 20 30 FGEDHN Cn1cc(CN2CCC(O)(c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000185491149 495596306 /nfs/dbraw/zinc/59/63/06/495596306.db2.gz VSBWKCLEVDBUBC-UHFFFAOYSA-N 0 3 372.472 3.442 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 ZINC000173579225 495597518 /nfs/dbraw/zinc/59/75/18/495597518.db2.gz FICVQQLIFIDFJT-UHFFFAOYSA-N 0 3 357.498 3.360 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182600075 495630631 /nfs/dbraw/zinc/63/06/31/495630631.db2.gz ADWNELUMWBSRJK-IBGZPJMESA-N 0 3 358.873 3.427 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000170934872 495658484 /nfs/dbraw/zinc/65/84/84/495658484.db2.gz NFNZQWWLACUYPE-KRWDZBQOSA-N 0 3 372.469 3.395 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000568872948 505797716 /nfs/dbraw/zinc/79/77/16/505797716.db2.gz FBTUAYFICROSPP-SAABIXHNSA-N 0 3 358.438 3.007 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000151229232 495777568 /nfs/dbraw/zinc/77/75/68/495777568.db2.gz BXBMYMULGFQEEY-HOCLYGCPSA-N 0 3 356.857 3.394 20 30 FGEDHN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000179913522 495780756 /nfs/dbraw/zinc/78/07/56/495780756.db2.gz DMQNNBQAKDLMON-UKRRQHHQSA-N 0 3 353.426 3.067 20 30 FGEDHN C=CCOc1ccc(CN2CCO[C@@H]3CCN(CC)C[C@@H]32)cc1Cl ZINC000568910276 505806044 /nfs/dbraw/zinc/80/60/44/505806044.db2.gz NTNUDQQBIRBDJS-PKOBYXMFSA-N 0 3 350.890 3.200 20 30 FGEDHN CC[C@@H]1Oc2cc([C@H](C)NCCOc3cccc(C#N)c3)ccc2NC1=O ZINC000180031738 495830537 /nfs/dbraw/zinc/83/05/37/495830537.db2.gz HGEHYNZMOCFKDW-LIRRHRJNSA-N 0 3 365.433 3.397 20 30 FGEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000155115254 495841638 /nfs/dbraw/zinc/84/16/38/495841638.db2.gz ODRVZLQTKJLAPX-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000180067495 495842190 /nfs/dbraw/zinc/84/21/90/495842190.db2.gz LGQNCDSWAWCRJH-MRXNPFEDSA-N 0 3 356.470 3.460 20 30 FGEDHN CC#CCCCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000186077664 495847302 /nfs/dbraw/zinc/84/73/02/495847302.db2.gz OULFJALINJYUQY-IBGZPJMESA-N 0 3 350.466 3.462 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)Nc2sccc2C#N)cc1 ZINC000183154176 495857703 /nfs/dbraw/zinc/85/77/03/495857703.db2.gz OAUQZMJXZABSLZ-ZDUSSCGKSA-N 0 3 365.462 3.403 20 30 FGEDHN N#CCCCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000171500663 495902265 /nfs/dbraw/zinc/90/22/65/495902265.db2.gz ORZOWGWMHVZBJK-KRWDZBQOSA-N 0 3 353.388 3.251 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)N(C)C)cc1 ZINC000151660960 495910526 /nfs/dbraw/zinc/91/05/26/495910526.db2.gz ODTFOINSWONVGW-GOSISDBHSA-N 0 3 357.404 3.432 20 30 FGEDHN Cc1cc([C@](C)(O)CNCc2cn(C)nc2-c2ccc(C#N)cc2)c(C)o1 ZINC000180241456 495922240 /nfs/dbraw/zinc/92/22/40/495922240.db2.gz WOQVQCJKBPFGNC-OAQYLSRUSA-N 0 3 364.449 3.166 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000171552477 495924312 /nfs/dbraw/zinc/92/43/12/495924312.db2.gz BZMVWBMFDSSDAZ-HXUWFJFHSA-N 0 3 357.498 3.486 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CCC(C#N)CC2)c2cccs2)CC1 ZINC000171579245 495933854 /nfs/dbraw/zinc/93/38/54/495933854.db2.gz RKWPCYMNMMYXPB-QGZVFWFLSA-N 0 3 360.527 3.466 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180302855 495942447 /nfs/dbraw/zinc/94/24/47/495942447.db2.gz OLNDBUJYIXQZPZ-FQEVSTJZSA-N 0 3 356.445 3.303 20 30 FGEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000151887682 495981859 /nfs/dbraw/zinc/98/18/59/495981859.db2.gz WJUGWUNISHGORX-HOTGVXAUSA-N 0 3 372.490 3.019 20 30 FGEDHN C=CC[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C(CC)CC)cc1 ZINC000151906272 495988625 /nfs/dbraw/zinc/98/86/25/495988625.db2.gz FQLHXHJMIHWIJB-UHFFFAOYSA-O 0 3 371.530 3.326 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-]C2CCCCC2)cc1 ZINC000151924277 495993300 /nfs/dbraw/zinc/99/33/00/495993300.db2.gz FZZTYLPKTGYBHD-UHFFFAOYSA-O 0 3 371.530 3.131 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(C(=O)N(CCC)CCC)c2)CC1 ZINC000171715123 496003226 /nfs/dbraw/zinc/00/32/26/496003226.db2.gz UVRWELHXYAOHQR-UHFFFAOYSA-N 0 3 371.525 3.329 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC000171723218 496008071 /nfs/dbraw/zinc/00/80/71/496008071.db2.gz QBVLSFPFTDSEEK-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC1 ZINC000171727383 496009428 /nfs/dbraw/zinc/00/94/28/496009428.db2.gz XVFPNGALVUIFLJ-UHFFFAOYSA-N 0 3 367.449 3.221 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)CC1 ZINC000171728839 496010847 /nfs/dbraw/zinc/01/08/47/496010847.db2.gz FRMZGBHCQMFSLK-UHFFFAOYSA-N 0 3 372.538 3.250 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)c2cccnc2)CC1 ZINC000171733963 496011845 /nfs/dbraw/zinc/01/18/45/496011845.db2.gz INRBOVSAPFNFAB-HXUWFJFHSA-N 0 3 350.466 3.121 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)ccc2OC(F)F)CC1 ZINC000171740885 496016542 /nfs/dbraw/zinc/01/65/42/496016542.db2.gz AJSYQYQLFSPKNO-UHFFFAOYSA-N 0 3 355.385 3.069 20 30 FGEDHN CC(C)n1cnnc1[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1 ZINC000152294505 496106815 /nfs/dbraw/zinc/10/68/15/496106815.db2.gz NEOASQKTHGJYNV-GOSISDBHSA-N 0 3 353.470 3.379 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCc2cc(C#N)ccc2F)CN1Cc1ccccc1 ZINC000152373710 496131250 /nfs/dbraw/zinc/13/12/50/496131250.db2.gz WETLCHBLDFXTMX-KXBFYZLASA-N 0 3 366.440 3.160 20 30 FGEDHN CC[C@H](CC#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000183839075 496132674 /nfs/dbraw/zinc/13/26/74/496132674.db2.gz ZGRDHSSXSGSRIJ-NVXWUHKLSA-N 0 3 353.388 3.249 20 30 FGEDHN CC[C@@H](CC#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000183839062 496133049 /nfs/dbraw/zinc/13/30/49/496133049.db2.gz ZGRDHSSXSGSRIJ-DOTOQJQBSA-N 0 3 353.388 3.249 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)CC1 ZINC000180763441 496136162 /nfs/dbraw/zinc/13/61/62/496136162.db2.gz WZVYCTLIIYUIAT-UHFFFAOYSA-N 0 3 357.433 3.092 20 30 FGEDHN N#Cc1cccc(OCCN[C@H](CO)c2cccc(Br)c2)c1 ZINC000183880059 496146123 /nfs/dbraw/zinc/14/61/23/496146123.db2.gz PJWDDMIXKCSWJX-QGZVFWFLSA-N 0 3 361.239 3.023 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@@H]1C ZINC000568992463 505826054 /nfs/dbraw/zinc/82/60/54/505826054.db2.gz LDOHJGNVBUPCOJ-LSDHHAIUSA-N 0 3 350.470 3.071 20 30 FGEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174908558 496160265 /nfs/dbraw/zinc/16/02/65/496160265.db2.gz VYSUGZDTRKTILI-SFHVURJKSA-N 0 3 358.486 3.062 20 30 FGEDHN C[C@H](NCc1cc(C#N)cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177696712 496162635 /nfs/dbraw/zinc/16/26/35/496162635.db2.gz GEEIWNUADBAVQE-AWEZNQCLSA-N 0 3 358.486 3.361 20 30 FGEDHN CC(C)c1cccc2c1OCCC[C@@H]2NCCNC(=O)C1N=CC=CC1=O ZINC000180875152 496181251 /nfs/dbraw/zinc/18/12/51/496181251.db2.gz WFORLTWQLPIZQW-UFVMTTLYSA-N 0 3 369.465 3.140 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000184010128 496199471 /nfs/dbraw/zinc/19/94/71/496199471.db2.gz AHZMFMJPBTXBSE-SJORKVTESA-N 0 3 365.477 3.197 20 30 FGEDHN CCc1nn(C)c(CC)c1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000162154523 496305554 /nfs/dbraw/zinc/30/55/54/496305554.db2.gz CDRMTGFZKDICEC-INIZCTEOSA-N 0 3 369.488 3.314 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)C3(C#N)CCCCC3)CC2)C[C@H](C)O1 ZINC000178239184 496381658 /nfs/dbraw/zinc/38/16/58/496381658.db2.gz FJVRJASMVXPROO-HDICACEKSA-N 0 3 361.530 3.198 20 30 FGEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)c1ccccc1 ZINC000181526818 496431993 /nfs/dbraw/zinc/43/19/93/496431993.db2.gz ZSHCPYCYSJFFNM-IAGOWNOFSA-N 0 3 373.460 3.464 20 30 FGEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000181526872 496432501 /nfs/dbraw/zinc/43/25/01/496432501.db2.gz ZSHCPYCYSJFFNM-IRXDYDNUSA-N 0 3 373.460 3.464 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1COc2ccccc21 ZINC000163023581 496452540 /nfs/dbraw/zinc/45/25/40/496452540.db2.gz YAEJILFNEYAODV-FUHIMQAGSA-N 0 3 363.461 3.476 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000178500451 496477707 /nfs/dbraw/zinc/47/77/07/496477707.db2.gz ZXOWLKUBJPZAOQ-UHFFFAOYSA-N 0 3 363.461 3.064 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H](Cc3nccn3C)C2)cc(OC)c1O ZINC000184728933 496510301 /nfs/dbraw/zinc/51/03/01/496510301.db2.gz FBHXYNDVFDRSPA-INIZCTEOSA-N 0 3 355.482 3.318 20 30 FGEDHN CCN1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729437 496519094 /nfs/dbraw/zinc/51/90/94/496519094.db2.gz BWDWOXFRABQCFO-YLJYHZDGSA-N 0 3 366.509 3.400 20 30 FGEDHN CCOc1ccc([C@H](C)NC(=O)CCCNCc2ccc(C#N)o2)cc1 ZINC000153642578 496529862 /nfs/dbraw/zinc/52/98/62/496529862.db2.gz BITNPJQEICFGKI-HNNXBMFYSA-N 0 3 355.438 3.297 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000175755175 496530477 /nfs/dbraw/zinc/53/04/77/496530477.db2.gz SZPWXSFVRAOOQX-UHFFFAOYSA-N 0 3 362.477 3.364 20 30 FGEDHN CC(C)OC(=O)C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000181831478 496564310 /nfs/dbraw/zinc/56/43/10/496564310.db2.gz AUBUJYIKHYZUHM-WOJBJXKFSA-N 0 3 352.434 3.264 20 30 FGEDHN C=CC[C@@H](C)NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000175906665 496596866 /nfs/dbraw/zinc/59/68/66/496596866.db2.gz IHRHGDYXIMVADE-GOSISDBHSA-N 0 3 359.514 3.322 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000153945288 496631827 /nfs/dbraw/zinc/63/18/27/496631827.db2.gz DVUHSMIIVSPNDQ-QGZVFWFLSA-N 0 3 354.429 3.272 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000188038326 496659227 /nfs/dbraw/zinc/65/92/27/496659227.db2.gz NMRILMBQAUYXET-GOSISDBHSA-N 0 3 354.878 3.448 20 30 FGEDHN CCC[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000599353846 506424268 /nfs/dbraw/zinc/42/42/68/506424268.db2.gz KQJZFCZQWWZBCZ-MAUKXSAKSA-N 0 3 352.425 3.467 20 30 FGEDHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166705590 496691169 /nfs/dbraw/zinc/69/11/69/496691169.db2.gz GCHQKYCDHFPTTA-KDOFPFPSSA-N 0 3 351.410 3.184 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000188143098 496699404 /nfs/dbraw/zinc/69/94/04/496699404.db2.gz WALOAXHAZGTUKJ-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000188157432 496704157 /nfs/dbraw/zinc/70/41/57/496704157.db2.gz YEKISHGSNRWQCU-UHFFFAOYSA-N 0 3 357.198 3.011 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000191357696 496736695 /nfs/dbraw/zinc/73/66/95/496736695.db2.gz CABPSPYMGGSLRD-PZJWPPBQSA-N 0 3 368.502 3.333 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000268680752 496759100 /nfs/dbraw/zinc/75/91/00/496759100.db2.gz OBCFDUCCKXMKOE-UHFFFAOYSA-N 0 3 369.509 3.488 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCC#N ZINC000273300664 496768246 /nfs/dbraw/zinc/76/82/46/496768246.db2.gz UILLACKNJVNPIY-UHFFFAOYSA-N 0 3 356.392 3.082 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273395643 496793538 /nfs/dbraw/zinc/79/35/38/496793538.db2.gz FXHFJUIEPJLJQL-BJLQDIEVSA-N 0 3 361.461 3.032 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@](C)(NCc1ccc(OCC#N)cc1)C1CC1 ZINC000268901133 496818792 /nfs/dbraw/zinc/81/87/92/496818792.db2.gz TYYIQBSJXJQIGQ-FQEVSTJZSA-N 0 3 359.470 3.372 20 30 FGEDHN C=CCC1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000188529670 496822442 /nfs/dbraw/zinc/82/24/42/496822442.db2.gz RQPUQWDSSQOPHY-UHFFFAOYSA-N 0 3 355.526 3.057 20 30 FGEDHN COc1cc(-c2noc(-c3ccc(C#N)cc3)n2)ccc1OCCN(C)C ZINC000273787744 496907886 /nfs/dbraw/zinc/90/78/86/496907886.db2.gz SDYBFFUMIFDEDZ-UHFFFAOYSA-N 0 3 364.405 3.224 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1 ZINC000264481356 496910606 /nfs/dbraw/zinc/91/06/06/496910606.db2.gz LNXAKSBASQHHJT-UHFFFAOYSA-N 0 3 356.470 3.161 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cn2cc(-c3ccccc3)c(C)n2)CC1 ZINC000277938828 496943830 /nfs/dbraw/zinc/94/38/30/496943830.db2.gz JZHBJPAEQWQWJG-UHFFFAOYSA-N 0 3 352.482 3.015 20 30 FGEDHN N#CCCn1cc(CNCCOc2ncccc2F)c(-c2ccccc2)n1 ZINC000269457658 496951576 /nfs/dbraw/zinc/95/15/76/496951576.db2.gz FMWFKCDAHIWBBX-UHFFFAOYSA-N 0 3 365.412 3.166 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000192152807 497014335 /nfs/dbraw/zinc/01/43/35/497014335.db2.gz SOUVBPPARFXXJW-MJGOQNOKSA-N 0 3 357.816 3.412 20 30 FGEDHN COc1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C2CC2)cc1 ZINC000248568033 497043013 /nfs/dbraw/zinc/04/30/13/497043013.db2.gz NTIGTMHDHMNACY-YCRPNKLZSA-N 0 3 355.482 3.104 20 30 FGEDHN CC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCO1 ZINC000248630290 497063935 /nfs/dbraw/zinc/06/39/35/497063935.db2.gz WFFCZSYKCPWPPP-VYDXJSESSA-N 0 3 361.511 3.424 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N1CCC(N2CCc3ccccc3C2)CC1)OCC ZINC000270137916 497065417 /nfs/dbraw/zinc/06/54/17/497065417.db2.gz ZLHHUKMWEZSZKL-OAQYLSRUSA-N 0 3 356.510 3.407 20 30 FGEDHN CC[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278321729 497074314 /nfs/dbraw/zinc/07/43/14/497074314.db2.gz UZLMWEPFOHNJKX-IBGZPJMESA-N 0 3 357.479 3.049 20 30 FGEDHN C=CCN(CCOC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000192339253 497079417 /nfs/dbraw/zinc/07/94/17/497079417.db2.gz FMSHZMIFSSHHGW-UHFFFAOYSA-N 0 3 361.486 3.218 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000248702028 497082477 /nfs/dbraw/zinc/08/24/77/497082477.db2.gz AJLLERHZMRJXSZ-LAUBAEHRSA-N 0 3 362.477 3.220 20 30 FGEDHN CC(=O)c1ccc(C#N)c(NCc2ccccc2CN2CCC[C@H]2CO)c1 ZINC000278362370 497088343 /nfs/dbraw/zinc/08/83/43/497088343.db2.gz KIXXWQWKCYJTPP-NRFANRHFSA-N 0 3 363.461 3.330 20 30 FGEDHN NC(=NOCc1ncc(C2CC2)o1)c1ccccc1CN1CCCCC1 ZINC000270484716 497137861 /nfs/dbraw/zinc/13/78/61/497137861.db2.gz ZLDPXSQKLDHFNV-UHFFFAOYSA-N 0 3 354.454 3.375 20 30 FGEDHN CN1CC[C@@H](NC(=O)Nc2cccc(OCC#N)c2)[C@H]1c1ccccc1 ZINC000270491783 497139030 /nfs/dbraw/zinc/13/90/30/497139030.db2.gz JLGAUPCGZYLXRK-RTBURBONSA-N 0 3 350.422 3.156 20 30 FGEDHN C=C(C)CS(=O)(=O)NCc1ccccc1CN1C[C@H](C)C[C@H](C)C1 ZINC000189535333 497154880 /nfs/dbraw/zinc/15/48/80/497154880.db2.gz UUDMRVYKFXTTHQ-CALCHBBNSA-N 0 3 350.528 3.160 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000278723026 497200329 /nfs/dbraw/zinc/20/03/29/497200329.db2.gz VGJZQMCWOSLSRN-LRDDRELGSA-N 0 3 373.434 3.164 20 30 FGEDHN C=CCc1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc(OC)c1OC ZINC000271073002 497258338 /nfs/dbraw/zinc/25/83/38/497258338.db2.gz YTTGOOHWCHQSGO-HNNXBMFYSA-N 0 3 360.498 3.235 20 30 FGEDHN CN(CCN1CCOCC1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193049398 497287194 /nfs/dbraw/zinc/28/71/94/497287194.db2.gz GDANPIXYOBZZKN-UHFFFAOYSA-N 0 3 363.505 3.150 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCN1C ZINC000266384107 497322468 /nfs/dbraw/zinc/32/24/68/497322468.db2.gz DIZZCNAKJKYROH-DYESRHJHSA-N 0 3 362.477 3.428 20 30 FGEDHN Cc1nc2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2o1 ZINC000279200616 497365045 /nfs/dbraw/zinc/36/50/45/497365045.db2.gz ASMWXJIOGLQOIU-UHFFFAOYSA-N 0 3 362.433 3.212 20 30 FGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000279377338 497421364 /nfs/dbraw/zinc/42/13/64/497421364.db2.gz JSBCWUHJMGKTCJ-MOPGFXCFSA-N 0 3 367.497 3.494 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000271726218 497429920 /nfs/dbraw/zinc/42/99/20/497429920.db2.gz YUPFTRJHZXIQBW-CQSZACIVSA-N 0 3 352.394 3.454 20 30 FGEDHN CCCO[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000245537691 497443977 /nfs/dbraw/zinc/44/39/77/497443977.db2.gz YKYWTZBNVWZJQD-UXHICEINSA-N 0 3 355.482 3.335 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCOc2ccc(F)cc2)cc1 ZINC000279702112 497514234 /nfs/dbraw/zinc/51/42/34/497514234.db2.gz JOKKQCVKQHAIAZ-GOSISDBHSA-N 0 3 365.408 3.355 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(CC)CC ZINC000190611050 497545370 /nfs/dbraw/zinc/54/53/70/497545370.db2.gz ONXSWTPBNGASKM-VAMGGRTRSA-N 0 3 369.509 3.233 20 30 FGEDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190632994 497554225 /nfs/dbraw/zinc/55/42/25/497554225.db2.gz QURVITLNODGZSI-HRAATJIYSA-N 0 3 363.461 3.409 20 30 FGEDHN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000279846447 497561726 /nfs/dbraw/zinc/56/17/26/497561726.db2.gz APLTXIHKKWHICL-ORYQWCPZSA-N 0 3 360.461 3.048 20 30 FGEDHN CCN(CCC#N)C(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000190677021 497569257 /nfs/dbraw/zinc/56/92/57/497569257.db2.gz BJLQKOJOGQPAAA-UHFFFAOYSA-N 0 3 355.404 3.378 20 30 FGEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC#N)cc1 ZINC000272233386 497572608 /nfs/dbraw/zinc/57/26/08/497572608.db2.gz RSHZMMDIGONGCE-IIBYNOLFSA-N 0 3 374.444 3.307 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)cc1OC ZINC000246079673 497615126 /nfs/dbraw/zinc/61/51/26/497615126.db2.gz TXCRNLSHYJTRGA-RBUKOAKNSA-N 0 3 352.434 3.446 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280005775 497617803 /nfs/dbraw/zinc/61/78/03/497617803.db2.gz LMNSXTSRNIFZPZ-RDTXWAMCSA-N 0 3 363.465 3.378 20 30 FGEDHN Cn1cc(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1C#N ZINC000190947097 497655941 /nfs/dbraw/zinc/65/59/41/497655941.db2.gz RKKJDCPFAKJVHK-OAHLLOKOSA-N 0 3 359.271 3.028 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOC3(C2)CCCCCC3)cc1 ZINC000280210552 497682494 /nfs/dbraw/zinc/68/24/94/497682494.db2.gz VCHCINCCIUGZIR-IBGZPJMESA-N 0 3 351.450 3.192 20 30 FGEDHN C=CCSCCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000194635168 497724686 /nfs/dbraw/zinc/72/46/86/497724686.db2.gz CMNISVFPNHXGSH-GOSISDBHSA-N 0 3 363.527 3.051 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000246415266 497726856 /nfs/dbraw/zinc/72/68/56/497726856.db2.gz LLWXYKZGHANLMQ-IXDOHACOSA-N 0 3 355.482 3.189 20 30 FGEDHN CC(C)n1c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc2ccccc21 ZINC000280365377 497731476 /nfs/dbraw/zinc/73/14/76/497731476.db2.gz LPPPRYXMJOYODQ-GOSISDBHSA-N 0 3 371.444 3.488 20 30 FGEDHN C[C@@H]1CC(O)C[C@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000191266158 497761744 /nfs/dbraw/zinc/76/17/44/497761744.db2.gz LYWFSGMKXORSOC-PBWFPOADSA-N 0 3 361.511 3.061 20 30 FGEDHN C[C@H]1C[C@@H](Nc2nccc(C#N)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000268516949 497770076 /nfs/dbraw/zinc/77/00/76/497770076.db2.gz TYTOREROTFVGNE-YOEHRIQHSA-N 0 3 351.410 3.326 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCO2 ZINC000194791168 497773089 /nfs/dbraw/zinc/77/30/89/497773089.db2.gz DXEWSRKATPUGOP-UHFFFAOYSA-N 0 3 364.449 3.089 20 30 FGEDHN CCn1nc(CNC2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000364192566 497832747 /nfs/dbraw/zinc/83/27/47/497832747.db2.gz ZNNLADODUWTNEZ-UHFFFAOYSA-N 0 3 360.465 3.081 20 30 FGEDHN C[C@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC(C)(C)C1 ZINC000329754618 497889096 /nfs/dbraw/zinc/88/90/96/497889096.db2.gz KXXHTOHZYJFDRI-QGZVFWFLSA-N 0 3 373.541 3.425 20 30 FGEDHN C[C@@]12CCN(CCC(=O)Nc3ccccc3C#N)C[C@@H]1C2(Cl)Cl ZINC000284765769 497893502 /nfs/dbraw/zinc/89/35/02/497893502.db2.gz MKVBKQLQXUQAPV-GOEBONIOSA-N 0 3 352.265 3.403 20 30 FGEDHN COC[C@@H]1CCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000329779240 497899195 /nfs/dbraw/zinc/89/91/95/497899195.db2.gz LTUKZFXXDQWGQR-DYWHQCQKSA-N 0 3 363.502 3.183 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000280842024 497918867 /nfs/dbraw/zinc/91/88/67/497918867.db2.gz PEFXZGVIZHNZMI-FCHUYYIVSA-N 0 3 372.472 3.021 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000280934772 497957556 /nfs/dbraw/zinc/95/75/56/497957556.db2.gz WFEZNDZQUNMONY-HXUWFJFHSA-N 0 3 359.429 3.352 20 30 FGEDHN C[C@@H]1C(=O)CC[C@H](C(=O)NCC2(N3CCCC3)CCOCC2)C1(C)C ZINC000329938857 497960986 /nfs/dbraw/zinc/96/09/86/497960986.db2.gz SSBSFMBYGMJLAK-HZPDHXFCSA-N 0 3 350.503 3.229 20 30 FGEDHN CN(CC1(O)CCCCCC1)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000329974568 497975994 /nfs/dbraw/zinc/97/59/94/497975994.db2.gz DEARARJZZBGOTA-FQEVSTJZSA-N 0 3 373.541 3.440 20 30 FGEDHN CC(C)(C)c1nnc(CNC(=O)N2CCN(C3CCCCC3)CC2)s1 ZINC000330110493 498024616 /nfs/dbraw/zinc/02/46/16/498024616.db2.gz AFTAREUENOKPCO-UHFFFAOYSA-N 0 3 365.547 3.200 20 30 FGEDHN C[C@]1(CNC(=O)N[C@@H]2CCO[C@H]2C2CC2)CCCN1Cc1ccccc1 ZINC000330163076 498046381 /nfs/dbraw/zinc/04/63/81/498046381.db2.gz ARKUODAHNQXSFF-SVFBPWRDSA-N 0 3 357.498 3.112 20 30 FGEDHN C=CCN(CCC#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000292538953 498053236 /nfs/dbraw/zinc/05/32/36/498053236.db2.gz GGSZKLPJZNWICF-UHFFFAOYSA-N 0 3 358.511 3.211 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000281201733 498054641 /nfs/dbraw/zinc/05/46/41/498054641.db2.gz YENQYRRISKRZIY-APWZRJJASA-N 0 3 361.486 3.038 20 30 FGEDHN Cc1cc2cc[nH]c2cc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000330190399 498055327 /nfs/dbraw/zinc/05/53/27/498055327.db2.gz MKXMXIPDSWAYMZ-HNNXBMFYSA-N 0 3 356.470 3.207 20 30 FGEDHN Cc1cc(C(=O)N(C)c2ccc(OCCN3CCCC3)cc2)ncc1C#N ZINC000572459202 505973962 /nfs/dbraw/zinc/97/39/62/505973962.db2.gz AZZUTDBQQILUHI-UHFFFAOYSA-N 0 3 364.449 3.013 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000292647272 498092676 /nfs/dbraw/zinc/09/26/76/498092676.db2.gz ZHXXYJCUYWCRHX-UHFFFAOYSA-N 0 3 362.477 3.019 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC000330361555 498118254 /nfs/dbraw/zinc/11/82/54/498118254.db2.gz YMRFUQLGNCCGKR-PVAVHDDUSA-N 0 3 354.454 3.054 20 30 FGEDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C2)C1 ZINC000296632666 498130177 /nfs/dbraw/zinc/13/01/77/498130177.db2.gz CODDBCMYRSQOKQ-INIZCTEOSA-N 0 3 368.359 3.016 20 30 FGEDHN CN(C)C[C@H](NC(=O)NC[C@H]1CCC(C)(C)O1)c1ccc(Cl)cc1 ZINC000330454603 498135003 /nfs/dbraw/zinc/13/50/03/498135003.db2.gz WJMQCGFYHMHZMF-CVEARBPZSA-N 0 3 353.894 3.404 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(N4CCC4=O)cc3)CC2)cc1 ZINC000281402244 498136648 /nfs/dbraw/zinc/13/66/48/498136648.db2.gz XNDDQKTXGWCNEJ-UHFFFAOYSA-N 0 3 360.461 3.371 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ccc(Cl)c(C#N)n3)CC2)C[C@@H](C)O1 ZINC000301521877 498147269 /nfs/dbraw/zinc/14/72/69/498147269.db2.gz DMYYYOJWKUCXFF-HUUCEWRRSA-N 0 3 362.905 3.322 20 30 FGEDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281437199 498151185 /nfs/dbraw/zinc/15/11/85/498151185.db2.gz DZZZVNORIWZCLF-LXGCGDOSSA-N 0 3 365.408 3.008 20 30 FGEDHN Cc1cc(N2CCC[C@H](NCc3ccc(F)c(C#N)c3Cl)C2)n(C)n1 ZINC000364808225 498153917 /nfs/dbraw/zinc/15/39/17/498153917.db2.gz YFMRZIFXBRWPNY-AWEZNQCLSA-N 0 3 361.852 3.151 20 30 FGEDHN CC[C@H](CC#N)N[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000364841989 498168628 /nfs/dbraw/zinc/16/86/28/498168628.db2.gz TWHIVXWWVPDPCE-TWMKSMIVSA-N 0 3 351.491 3.073 20 30 FGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccnn1CCN(C)C ZINC000296753163 498182044 /nfs/dbraw/zinc/18/20/44/498182044.db2.gz CVLBJIJKYSHMAF-UHFFFAOYSA-N 0 3 367.906 3.380 20 30 FGEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCC(CN2CCOCC2)CC1 ZINC000301611799 498186844 /nfs/dbraw/zinc/18/68/44/498186844.db2.gz FBVIZMPZCLUJFQ-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC000330891650 498212920 /nfs/dbraw/zinc/21/29/20/498212920.db2.gz CWLLVXHTIDMMLJ-DOTOQJQBSA-N 0 3 374.529 3.483 20 30 FGEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccc2c(c1)OCC(=O)N2 ZINC000286021470 498270150 /nfs/dbraw/zinc/27/01/50/498270150.db2.gz JSVBJZGUONNJKD-AWEZNQCLSA-N 0 3 367.474 3.473 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@]3(CO)Cc3ccccc3)o2)cc1 ZINC000365060502 498277609 /nfs/dbraw/zinc/27/76/09/498277609.db2.gz GPHCZWAHLLGEPM-QFIPXVFZSA-N 0 3 374.444 3.178 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCC[C@H]1CCO ZINC000286075383 498285484 /nfs/dbraw/zinc/28/54/84/498285484.db2.gz JUYXUETZMRYBES-PMPSAXMXSA-N 0 3 361.511 3.160 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000331271915 498290820 /nfs/dbraw/zinc/29/08/20/498290820.db2.gz NPZMOCANBJWPQC-GFCCVEGCSA-N 0 3 370.375 3.262 20 30 FGEDHN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCCN(CC)CC1 ZINC000293201266 498303966 /nfs/dbraw/zinc/30/39/66/498303966.db2.gz YUWIUHVNCNEPRZ-UHFFFAOYSA-N 0 3 369.513 3.103 20 30 FGEDHN N#CC1(CCCN[C@@H](Cn2ccccc2=O)c2ccccc2)CCOCC1 ZINC000281905685 498313286 /nfs/dbraw/zinc/31/32/86/498313286.db2.gz APNHVNVATRUPMJ-FQEVSTJZSA-N 0 3 365.477 3.280 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000281928250 498321492 /nfs/dbraw/zinc/32/14/92/498321492.db2.gz ZNWAGNKSWUBJNK-WOJBJXKFSA-N 0 3 359.514 3.261 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2CCO[C@@H]2C2CC2)ccc1Cl ZINC000365192820 498343261 /nfs/dbraw/zinc/34/32/61/498343261.db2.gz SNBDCYWIMXRQGM-IEBWSBKVSA-N 0 3 361.873 3.052 20 30 FGEDHN Cc1nnc(NCc2ccc(OC3CCN(C)CC3)cc2)c(C#N)c1C ZINC000286365644 498377699 /nfs/dbraw/zinc/37/76/99/498377699.db2.gz HZQFITLMCWZNGX-UHFFFAOYSA-N 0 3 351.454 3.050 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)CCCn1c(C)cc(=O)cc1C)C(C)C ZINC000290034826 498401843 /nfs/dbraw/zinc/40/18/43/498401843.db2.gz CDCALADULLSYQY-OAQYLSRUSA-N 0 3 373.541 3.060 20 30 FGEDHN Cc1nsc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1C#N ZINC000297330654 498408529 /nfs/dbraw/zinc/40/85/29/498408529.db2.gz DHRLTCVEHDSVJY-UHFFFAOYSA-N 0 3 361.446 3.058 20 30 FGEDHN COCCOc1ccc(C#N)cc1NC1CCN(c2ccncc2)CC1 ZINC000297369405 498423665 /nfs/dbraw/zinc/42/36/65/498423665.db2.gz GJWGQBQATRVEBT-UHFFFAOYSA-N 0 3 352.438 3.059 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1C#N ZINC000302447772 498486988 /nfs/dbraw/zinc/48/69/88/498486988.db2.gz ONKMAGMBUVDEHX-FQEVSTJZSA-N 0 3 355.869 3.285 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000578892143 506046263 /nfs/dbraw/zinc/04/62/63/506046263.db2.gz MTWGANCOUVVXLN-MISYRCLQSA-N 0 3 361.449 3.042 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC(c2nc3cc(F)ccc3s2)CC1 ZINC000362488936 498523397 /nfs/dbraw/zinc/52/33/97/498523397.db2.gz STFGGKSDHNPNEX-UHFFFAOYSA-N 0 3 374.485 3.377 20 30 FGEDHN N#CCCCCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000362852752 498566172 /nfs/dbraw/zinc/56/61/72/498566172.db2.gz RXBYZXPGMLKTHF-NRFANRHFSA-N 0 3 354.498 3.378 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1C#N ZINC000581728279 506055344 /nfs/dbraw/zinc/05/53/44/506055344.db2.gz CKESEAMSBZYUIW-ZDUSSCGKSA-N 0 3 372.538 3.355 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000569961728 506057060 /nfs/dbraw/zinc/05/70/60/506057060.db2.gz HBUNNCVIABAAIJ-LJQANCHMSA-N 0 3 354.475 3.109 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000302797976 498578960 /nfs/dbraw/zinc/57/89/60/498578960.db2.gz RGPONFUEPDALSU-SFHVURJKSA-N 0 3 366.421 3.169 20 30 FGEDHN C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000581713101 506051005 /nfs/dbraw/zinc/05/10/05/506051005.db2.gz BMIZPLWQHXCQEQ-FBEWHJACSA-N 0 3 359.473 3.441 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000332237770 498613544 /nfs/dbraw/zinc/61/35/44/498613544.db2.gz SHFYJEVXSPTFNO-WOIUINJBSA-N 0 3 370.541 3.026 20 30 FGEDHN N#Cc1ccsc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365744388 498621500 /nfs/dbraw/zinc/62/15/00/498621500.db2.gz WUKNTJIFKHYIBC-ROUUACIJSA-N 0 3 351.475 3.214 20 30 FGEDHN COC(=O)[C@]1(C)CN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@H]1C ZINC000282711581 498621759 /nfs/dbraw/zinc/62/17/59/498621759.db2.gz KTOAJKSUDDLABX-FOIQADDNSA-N 0 3 360.454 3.009 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2CN2CCC[C@H]2CO)c1 ZINC000363112723 498656903 /nfs/dbraw/zinc/65/69/03/498656903.db2.gz QIIFCYOXDPAAOY-MOPGFXCFSA-N 0 3 373.497 3.095 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C ZINC000287174535 498660065 /nfs/dbraw/zinc/66/00/65/498660065.db2.gz JTJPTHDWFDJXJX-FZMZJTMJSA-N 0 3 365.275 3.267 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298132321 498673114 /nfs/dbraw/zinc/67/31/14/498673114.db2.gz OFPFTZZBYTTXTG-PMACEKPBSA-N 0 3 356.514 3.275 20 30 FGEDHN Cc1cccc(NC2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000363229681 498714731 /nfs/dbraw/zinc/71/47/31/498714731.db2.gz HFOYHRUTDKFOEQ-UHFFFAOYSA-N 0 3 363.465 3.167 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1O ZINC000287330628 498719227 /nfs/dbraw/zinc/71/92/27/498719227.db2.gz WANDFSSWDGGTDY-PDEZOQIOSA-N 0 3 371.481 3.097 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1[O-] ZINC000287330628 498719219 /nfs/dbraw/zinc/71/92/19/498719219.db2.gz WANDFSSWDGGTDY-PDEZOQIOSA-N 0 3 371.481 3.097 20 30 FGEDHN C#CCOc1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)cc1 ZINC000363251745 498728583 /nfs/dbraw/zinc/72/85/83/498728583.db2.gz JJXCZAFTGCTFEW-VQIMIIECSA-N 0 3 354.475 3.183 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000294554554 498729094 /nfs/dbraw/zinc/72/90/94/498729094.db2.gz IYEQGQYCQYEZHV-INIZCTEOSA-N 0 3 357.281 3.184 20 30 FGEDHN C[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C#N)cc1Cl ZINC000366008345 498730248 /nfs/dbraw/zinc/73/02/48/498730248.db2.gz KAFOFGGEBQXPKF-ZFWWWQNUSA-N 0 3 368.868 3.240 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000287460027 498764732 /nfs/dbraw/zinc/76/47/32/498764732.db2.gz XOQHAWPOWSOPGC-UGSOOPFHSA-N 0 3 369.446 3.181 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)Nc1ncccc1OCCCC#N ZINC000287497665 498777814 /nfs/dbraw/zinc/77/78/14/498777814.db2.gz JCBUAMBWEYYCJY-UHFFFAOYSA-N 0 3 359.474 3.104 20 30 FGEDHN CN(Cc1ccc(OCC#N)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291162369 498823060 /nfs/dbraw/zinc/82/30/60/498823060.db2.gz MGAZGKQRRXTOGB-SFHVURJKSA-N 0 3 359.470 3.324 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000579116173 506097607 /nfs/dbraw/zinc/09/76/07/506097607.db2.gz JFCOFTJJGCQGKZ-DYESRHJHSA-N 0 3 362.477 3.387 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000327059681 498851552 /nfs/dbraw/zinc/85/15/52/498851552.db2.gz ZYLGOMITTFENBL-MRXNPFEDSA-N 0 3 350.340 3.107 20 30 FGEDHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328601536 498871110 /nfs/dbraw/zinc/87/11/10/498871110.db2.gz FQELDZLOSVCBLR-UPJWGTAASA-N 0 3 374.407 3.132 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC1 ZINC000283473484 498897028 /nfs/dbraw/zinc/89/70/28/498897028.db2.gz ZPOVLKSCTKDNMS-UHFFFAOYSA-N 0 3 372.362 3.441 20 30 FGEDHN COc1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1N1CCCC1=O ZINC000328704140 498907652 /nfs/dbraw/zinc/90/76/52/498907652.db2.gz OQHNVGXPLZKTTE-UHFFFAOYSA-N 0 3 357.454 3.284 20 30 FGEDHN CN(C(=O)NCc1ccc(CC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000582000739 506110032 /nfs/dbraw/zinc/11/00/32/506110032.db2.gz ZJJJKXOLWNYSOS-OAQYLSRUSA-N 0 3 362.477 3.169 20 30 FGEDHN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCN(CC2CCCCC2)CC1 ZINC000328715892 498913111 /nfs/dbraw/zinc/91/31/11/498913111.db2.gz TUORNIFANWHJRF-KRWDZBQOSA-N 0 3 362.518 3.140 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000328752813 498926855 /nfs/dbraw/zinc/92/68/55/498926855.db2.gz SAKWMYIYFMPIKY-UBDQQSCGSA-N 0 3 365.518 3.451 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000288099870 498944506 /nfs/dbraw/zinc/94/45/06/498944506.db2.gz GYLVLDRYXRORHB-WTNAPCKOSA-N 0 3 372.472 3.020 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NC3CC(c4ccccc4F)C3)C2=O)cc1 ZINC000570227309 506119594 /nfs/dbraw/zinc/11/95/94/506119594.db2.gz RFRXMHSSDYWNGP-WIXQSORDSA-N 0 3 363.436 3.334 20 30 FGEDHN CN1C(=O)c2ccc(NC(=O)CN3CC(C)(C)[C@@H]4CCC[C@@H]43)cc2C1=O ZINC000328876290 498970068 /nfs/dbraw/zinc/97/00/68/498970068.db2.gz SKJANPZCFNNEJG-CVEARBPZSA-N 0 3 355.438 3.011 20 30 FGEDHN C=CCN(C(=O)N[C@@H]1CCO[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363808383 499004382 /nfs/dbraw/zinc/00/43/82/499004382.db2.gz AMTWXOYEAFNXHO-SXLOBPIMSA-N 0 3 357.498 3.026 20 30 FGEDHN N#CCc1cccc(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000288375332 499008752 /nfs/dbraw/zinc/00/87/52/499008752.db2.gz LKIABWTUOCBOTC-HSZRJFAPSA-N 0 3 359.473 3.491 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000299323371 499024669 /nfs/dbraw/zinc/02/46/69/499024669.db2.gz IQEICEQECVJASH-HNNXBMFYSA-N 0 3 360.479 3.474 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000295467364 499026290 /nfs/dbraw/zinc/02/62/90/499026290.db2.gz OTLYHMASGMRMEH-KKSFZXQISA-N 0 3 352.482 3.197 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)[N-]C2(C)CC2)c1 ZINC000284098992 499048404 /nfs/dbraw/zinc/04/84/04/499048404.db2.gz LDQDCEBHXLTRLF-UHFFFAOYSA-O 0 3 367.494 3.394 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000329233850 499079935 /nfs/dbraw/zinc/07/99/35/499079935.db2.gz HGGMDAZQBRPDGS-HZPDHXFCSA-N 0 3 374.533 3.101 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)[C@H]2C1 ZINC000329270413 499087609 /nfs/dbraw/zinc/08/76/09/499087609.db2.gz HMXSAJVCPIECOE-ACJLOTCBSA-N 0 3 360.889 3.304 20 30 FGEDHN O=C(CCC(=O)N1CCSc2ccccc21)N[C@H]1CCN(C2CC2)C1 ZINC000329280218 499090694 /nfs/dbraw/zinc/09/06/94/499090694.db2.gz KHQOJXKOIUOXEE-AWEZNQCLSA-N 0 3 359.495 3.099 20 30 FGEDHN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329288606 499091908 /nfs/dbraw/zinc/09/19/08/499091908.db2.gz MUUPIGIPRJUSDA-AWEZNQCLSA-N 0 3 353.470 3.431 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CC[C@@H]2CN(C(C)=O)c3ccccc32)CC1 ZINC000364075787 499109282 /nfs/dbraw/zinc/10/92/82/499109282.db2.gz UCYAXBBVHCNSJQ-GOSISDBHSA-N 0 3 369.509 3.074 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)NCC2(N3CCSCC3)CCCCC2)CC(=O)N1 ZINC000329471791 499126108 /nfs/dbraw/zinc/12/61/08/499126108.db2.gz ZGAQWUWWCDBKHO-CABCVRRESA-N 0 3 353.532 3.450 20 30 FGEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)C3=CCN(C)CC3)C2)n1 ZINC000329515469 499128853 /nfs/dbraw/zinc/12/88/53/499128853.db2.gz ONMRMVCKRRHBHW-APWZRJJASA-N 0 3 367.497 3.085 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2NCc2ccncc2OCC(F)F)O1 ZINC000367036890 499137548 /nfs/dbraw/zinc/13/75/48/499137548.db2.gz PSNQCKCJNLJHLT-LVQVYYBASA-N 0 3 351.397 3.055 20 30 FGEDHN C#CCC1(C(=O)NC2CCN(CCc3ccncc3)CC2)CCCCC1 ZINC000372697083 499162444 /nfs/dbraw/zinc/16/24/44/499162444.db2.gz RORDJAREZJOABZ-UHFFFAOYSA-N 0 3 353.510 3.179 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](c2ccncn2)C1)C(C)C ZINC000367258574 499169544 /nfs/dbraw/zinc/16/95/44/499169544.db2.gz QYTJYYTWWJRIHW-AZUAARDMSA-N 0 3 371.529 3.064 20 30 FGEDHN C=CCN(Cc1nc([C@H](C)OC)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000370037426 499169862 /nfs/dbraw/zinc/16/98/62/499169862.db2.gz NGIFDKMMQJLLKJ-FUHWJXTLSA-N 0 3 356.470 3.040 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000372771190 499173146 /nfs/dbraw/zinc/17/31/46/499173146.db2.gz YTFQZQOAHUAMIS-UYAOXDASSA-N 0 3 351.450 3.092 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000372852039 499184386 /nfs/dbraw/zinc/18/43/86/499184386.db2.gz MJMWBFCJFVIXFX-VQTJNVASSA-N 0 3 365.864 3.070 20 30 FGEDHN CN(C(=O)c1cccc(SCC#N)c1)C1CCN(c2ccncc2)CC1 ZINC000370214971 499198230 /nfs/dbraw/zinc/19/82/30/499198230.db2.gz HKULQDUSYZCDIH-UHFFFAOYSA-N 0 3 366.490 3.438 20 30 FGEDHN N#Cc1ccc(CN2CCN(c3ccncc3-c3cccnc3)CC2)cc1 ZINC000367496899 499206278 /nfs/dbraw/zinc/20/62/78/499206278.db2.gz IAKDNPMLPVQANY-UHFFFAOYSA-N 0 3 355.445 3.337 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2ccccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000370306085 499207564 /nfs/dbraw/zinc/20/75/64/499207564.db2.gz RVPCFMIIMQQRSW-PZJWPPBQSA-N 0 3 351.498 3.197 20 30 FGEDHN C[C@H](NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(OCC#N)cc1 ZINC000367591939 499215562 /nfs/dbraw/zinc/21/55/62/499215562.db2.gz AKDFVNXTPXZKSN-VHSSKADRSA-N 0 3 368.437 3.420 20 30 FGEDHN CC#CCCN1CCC(c2noc([C@H](OC(C)=O)c3ccccc3)n2)CC1 ZINC000368138214 499268241 /nfs/dbraw/zinc/26/82/41/499268241.db2.gz DYKYJUCYQZNAAW-LJQANCHMSA-N 0 3 367.449 3.315 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000368436528 499295852 /nfs/dbraw/zinc/29/58/52/499295852.db2.gz QUATXEHBKTYJNQ-KRWDZBQOSA-N 0 3 361.449 3.064 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)CC1 ZINC000368488008 499300813 /nfs/dbraw/zinc/30/08/13/499300813.db2.gz XNWJUGBRXJUPIU-IBGZPJMESA-N 0 3 371.529 3.325 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000368609370 499313349 /nfs/dbraw/zinc/31/33/49/499313349.db2.gz XRXCUYYDGIIUIJ-KRWDZBQOSA-N 0 3 353.853 3.464 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)[C@H]1OCCc2sccc21 ZINC000368629666 499315523 /nfs/dbraw/zinc/31/55/23/499315523.db2.gz AYNRFGPCGKYRJH-MEDUHNTESA-N 0 3 361.492 3.302 20 30 FGEDHN C/C=C\c1ccc(OC[C@@H](O)CNCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000573199929 506142060 /nfs/dbraw/zinc/14/20/60/506142060.db2.gz NLBAZMYXFINAHP-JXCVUKRWSA-N 0 3 370.424 3.269 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(C(=O)Nc2nccs2)CC1 ZINC000371396662 499320414 /nfs/dbraw/zinc/32/04/14/499320414.db2.gz SSAOROFTVAFGLC-UHFFFAOYSA-N 0 3 355.463 3.006 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000371443843 499327314 /nfs/dbraw/zinc/32/73/14/499327314.db2.gz UETRGZOIEBHRJY-UHFFFAOYSA-N 0 3 362.543 3.382 20 30 FGEDHN C#CCN1CCC(C(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000371497097 499334518 /nfs/dbraw/zinc/33/45/18/499334518.db2.gz IYSIFPMHDDIHNH-DENIHFKCSA-N 0 3 367.537 3.016 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369003045 499355730 /nfs/dbraw/zinc/35/57/30/499355730.db2.gz STQQQYYBMGUROP-INIZCTEOSA-N 0 3 353.426 3.430 20 30 FGEDHN COCCCN1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000371799046 499366540 /nfs/dbraw/zinc/36/65/40/499366540.db2.gz IYMYFZKHVDUMEM-UHFFFAOYSA-N 0 3 358.486 3.064 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(CCOCC2)[C@@H]1C ZINC000371834400 499370063 /nfs/dbraw/zinc/37/00/63/499370063.db2.gz JOQYJNCMHVJNTE-ROUUACIJSA-N 0 3 355.482 3.213 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000369401179 499400253 /nfs/dbraw/zinc/40/02/53/499400253.db2.gz KXAHUSDKSHAFRI-HMXCVIKNSA-N 0 3 371.525 3.274 20 30 FGEDHN C=CCN(C(=O)CCc1ccc(=O)[nH]c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373320399 499463268 /nfs/dbraw/zinc/46/32/68/499463268.db2.gz PYXSKTIUZJXYTQ-FQEVSTJZSA-N 0 3 365.477 3.009 20 30 FGEDHN Cc1ccc(N2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000373414832 499468425 /nfs/dbraw/zinc/46/84/25/499468425.db2.gz XHEBFGSPZNBKGS-OAQYLSRUSA-N 0 3 372.472 3.288 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1)c1ccccc1 ZINC000373525951 499475029 /nfs/dbraw/zinc/47/50/29/499475029.db2.gz GPRCMRVDTPTWDO-IFMALSPDSA-N 0 3 369.553 3.222 20 30 FGEDHN CN1CCN(CC2(C)CCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000375235194 499497623 /nfs/dbraw/zinc/49/76/23/499497623.db2.gz XLLWBLPSTZSBAK-UHFFFAOYSA-N 0 3 359.945 3.041 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000378335204 499503016 /nfs/dbraw/zinc/50/30/16/499503016.db2.gz RYEOMAXGAMHVFE-UHFFFAOYSA-N 0 3 367.472 3.283 20 30 FGEDHN COc1cccc(N2C[C@@H](N[C@H](C)c3ccc(OCC#N)cc3)CC2=O)c1 ZINC000378450813 499518389 /nfs/dbraw/zinc/51/83/89/499518389.db2.gz INXOUMRJDLAYEM-WBVHZDCISA-N 0 3 365.433 3.054 20 30 FGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000375452080 499520982 /nfs/dbraw/zinc/52/09/82/499520982.db2.gz DBURWMVIPVPMAS-MLYOOKFZSA-N 0 3 361.530 3.123 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2O1 ZINC000378470607 499521045 /nfs/dbraw/zinc/52/10/45/499521045.db2.gz CLMJQUIBHMUEEW-SFHVURJKSA-N 0 3 361.445 3.211 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000378651550 499541113 /nfs/dbraw/zinc/54/11/13/499541113.db2.gz YSQXXRZMMKXZMG-VOBQZIQPSA-N 0 3 373.522 3.424 20 30 FGEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375783245 499555393 /nfs/dbraw/zinc/55/53/93/499555393.db2.gz QUVCOFXKSBELRR-IAGOWNOFSA-N 0 3 351.491 3.076 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000398051744 499566104 /nfs/dbraw/zinc/56/61/04/499566104.db2.gz XXPWGHMHXNRWJP-WMLDXEAASA-N 0 3 351.410 3.184 20 30 FGEDHN N#Cc1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000404197166 499570094 /nfs/dbraw/zinc/57/00/94/499570094.db2.gz OBGDAIXSMITRQC-VXKWHMMOSA-N 0 3 365.452 3.173 20 30 FGEDHN N#CCc1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC000404200559 499570183 /nfs/dbraw/zinc/57/01/83/499570183.db2.gz PSRTUDLNBDOXLT-PKTZIBPZSA-N 0 3 361.489 3.228 20 30 FGEDHN C=CCC[C@H](C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)c1ccccc1 ZINC000376340342 499601775 /nfs/dbraw/zinc/60/17/75/499601775.db2.gz WKGZOFTUHCLKFD-VXKWHMMOSA-N 0 3 369.553 3.363 20 30 FGEDHN CC(C)(C)CC(=O)N1CC[C@H]2CN(CCCC3(C#N)CCOCC3)C[C@H]21 ZINC000376604276 499622323 /nfs/dbraw/zinc/62/23/23/499622323.db2.gz NPOYIZLIEBOHEM-ZWKOTPCHSA-N 0 3 361.530 3.056 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2O1 ZINC000377093520 499661651 /nfs/dbraw/zinc/66/16/51/499661651.db2.gz KWJCXFINLLJKGA-RTBURBONSA-N 0 3 363.461 3.430 20 30 FGEDHN CC[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OC)cc1 ZINC000411435317 499739964 /nfs/dbraw/zinc/73/99/64/499739964.db2.gz CGTSLVFDNJFUNZ-DLBZAZTESA-N 0 3 355.463 3.475 20 30 FGEDHN COC(=O)C[C@]1(NCc2ccc(-c3ccccc3C#N)cc2)CCOC1 ZINC000411543147 499753202 /nfs/dbraw/zinc/75/32/02/499753202.db2.gz KEKKEQCMCKSVIA-OAQYLSRUSA-N 0 3 350.418 3.037 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414169393 499765425 /nfs/dbraw/zinc/76/54/25/499765425.db2.gz RSPDXJZGKXZSRO-HNNXBMFYSA-N 0 3 351.516 3.308 20 30 FGEDHN C[C@@H](CCCc1cccnc1)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411823113 499794684 /nfs/dbraw/zinc/79/46/84/499794684.db2.gz PHBHZLJFEKAFIE-WMLDXEAASA-N 0 3 354.479 3.121 20 30 FGEDHN CSc1ccccc1OC[C@@H](O)CN(Cc1cc(C#N)n(C)c1)C(C)C ZINC000414555716 499808044 /nfs/dbraw/zinc/80/80/44/499808044.db2.gz MDDRIPSWJNFNHZ-SFHVURJKSA-N 0 3 373.522 3.269 20 30 FGEDHN COC(=O)[C@]1(C)CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000414556765 499808651 /nfs/dbraw/zinc/80/86/51/499808651.db2.gz KPNCCBAHFNNWRL-OAQYLSRUSA-N 0 3 366.465 3.239 20 30 FGEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1F ZINC000412012051 499812925 /nfs/dbraw/zinc/81/29/25/499812925.db2.gz QAVODGDNXUHYHH-FQEVSTJZSA-N 0 3 354.425 3.317 20 30 FGEDHN CNCc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000415921808 499928799 /nfs/dbraw/zinc/92/87/99/499928799.db2.gz SFTATETYNVFFEM-UHFFFAOYSA-N 0 3 364.449 3.353 20 30 FGEDHN CNCc1cccc(NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000415937508 499930783 /nfs/dbraw/zinc/93/07/83/499930783.db2.gz XNMAXKKQHSSCEL-UHFFFAOYSA-N 0 3 354.479 3.333 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000413261589 499933848 /nfs/dbraw/zinc/93/38/48/499933848.db2.gz IULUEJDNKYTAPN-IRLDBZIGSA-N 0 3 365.452 3.333 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000421096442 499952328 /nfs/dbraw/zinc/95/23/28/499952328.db2.gz XYRNLQXRGUPFDY-CQSZACIVSA-N 0 3 370.375 3.057 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CCOCC1 ZINC000424885236 499962725 /nfs/dbraw/zinc/96/27/25/499962725.db2.gz CTCAIAFJLUKESN-UHFFFAOYSA-N 0 3 350.434 3.078 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c(C#N)cc1N(C)C ZINC000417122415 499978397 /nfs/dbraw/zinc/97/83/97/499978397.db2.gz BBSHDUFOPBTMJI-KRWDZBQOSA-N 0 3 355.486 3.025 20 30 FGEDHN CN(C)[C@H](CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)c1ccccc1 ZINC000416225223 499985916 /nfs/dbraw/zinc/98/59/16/499985916.db2.gz SCBGAUVQPNAPTN-DYXWJJEUSA-N 0 3 355.482 3.133 20 30 FGEDHN CC(C)[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000570444785 506168848 /nfs/dbraw/zinc/16/88/48/506168848.db2.gz MYUWFLQEIPVQCN-FQEVSTJZSA-N 0 3 370.518 3.436 20 30 FGEDHN C[C@@H](C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1cccc(C#N)c1 ZINC000425014932 499993754 /nfs/dbraw/zinc/99/37/54/499993754.db2.gz UQVYDQKJVWRNJM-VOQZNFBZSA-N 0 3 359.473 3.395 20 30 FGEDHN CC(C)(NCCC(=O)Nc1sccc1C#N)c1ccccc1[N+](=O)[O-] ZINC000429255322 500034807 /nfs/dbraw/zinc/03/48/07/500034807.db2.gz PAMPBFZXBHSJPT-UHFFFAOYSA-N 0 3 358.423 3.381 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416692979 500088724 /nfs/dbraw/zinc/08/87/24/500088724.db2.gz SIKGHVCOGLEIGC-QINHECLXSA-N 0 3 354.498 3.355 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413906702 500092797 /nfs/dbraw/zinc/09/27/97/500092797.db2.gz YOHCLIWSWNMDMB-CQSZACIVSA-N 0 3 371.412 3.044 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC1(CO)C2CC3CC(C2)CC1C3 ZINC000413952898 500105907 /nfs/dbraw/zinc/10/59/07/500105907.db2.gz LUWJWGJKYLNNJF-REGNJWCKSA-N 0 3 352.478 3.062 20 30 FGEDHN COc1cccc(OC)c1OC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425539687 500137867 /nfs/dbraw/zinc/13/78/67/500137867.db2.gz UGSAMTVIGJTUSK-CRAIPNDOSA-N 0 3 370.449 3.008 20 30 FGEDHN CCO[C@H]1C[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C12CCCCC2 ZINC000429776189 500142719 /nfs/dbraw/zinc/14/27/19/500142719.db2.gz RRWAWPFLVROIMK-MSOLQXFVSA-N 0 3 361.530 3.389 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)N(C)C)cc1 ZINC000425789651 500198499 /nfs/dbraw/zinc/19/84/99/500198499.db2.gz YRQRFVFXQYAXDG-WDYCEAGBSA-N 0 3 358.486 3.068 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(N(C)C(C)=O)cc1)C(C)C ZINC000426423950 500271297 /nfs/dbraw/zinc/27/12/97/500271297.db2.gz DADFWVWQNMUOTK-HXUWFJFHSA-N 0 3 357.498 3.098 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418550316 500290397 /nfs/dbraw/zinc/29/03/97/500290397.db2.gz HBZBSGGQTBNTGL-UHFFFAOYSA-N 0 3 351.450 3.196 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000424092442 500451758 /nfs/dbraw/zinc/45/17/58/500451758.db2.gz PBFAFJJVLYFTHI-JKSUJKDBSA-N 0 3 364.287 3.428 20 30 FGEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Cc1cccc(Br)c1 ZINC000424118731 500457297 /nfs/dbraw/zinc/45/72/97/500457297.db2.gz DTOAMKPHNZQIQA-CJNGLKHVSA-N 0 3 366.303 3.155 20 30 FGEDHN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424123197 500457802 /nfs/dbraw/zinc/45/78/02/500457802.db2.gz KIYZKQKPSTUMAJ-RHSMWYFYSA-N 0 3 363.889 3.151 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000432062276 500462249 /nfs/dbraw/zinc/46/22/49/500462249.db2.gz OYYBUTVVHPSOGA-GOSISDBHSA-N 0 3 368.506 3.253 20 30 FGEDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCC(=O)Nc1ccccc1C#N ZINC000420929165 500533045 /nfs/dbraw/zinc/53/30/45/500533045.db2.gz PZGRCOMASVGQBC-RDJZCZTQSA-N 0 3 371.481 3.329 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)OCC ZINC000573478531 506201422 /nfs/dbraw/zinc/20/14/22/506201422.db2.gz PRKIXLFYMCPCHK-ROUUACIJSA-N 0 3 350.528 3.499 20 30 FGEDHN C=CCC1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCOCC1 ZINC000424658009 500537473 /nfs/dbraw/zinc/53/74/73/500537473.db2.gz CZVRDEDUVDIHBS-UHFFFAOYSA-N 0 3 366.571 3.227 20 30 FGEDHN C=CCC1(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CCOCC1 ZINC000424669931 500539514 /nfs/dbraw/zinc/53/95/14/500539514.db2.gz UYTKBBCCQRXYNG-UHFFFAOYSA-N 0 3 372.509 3.150 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)c1cscc1C#N)c1ccccc1O2 ZINC000432709754 500551400 /nfs/dbraw/zinc/55/14/00/500551400.db2.gz QXANZPYTQVXERV-KRWDZBQOSA-N 0 3 367.474 3.338 20 30 FGEDHN N#Cc1cnn2cc(CNCC[C@H](c3ccccc3)C(F)(F)F)cnc12 ZINC000576636742 506203072 /nfs/dbraw/zinc/20/30/72/506203072.db2.gz GXJZEQNIQAURPZ-MRXNPFEDSA-N 0 3 359.355 3.427 20 30 FGEDHN N#CCCC[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000433012082 500606327 /nfs/dbraw/zinc/60/63/27/500606327.db2.gz RICKBQDCXBFPPV-XUVXKRRUSA-N 0 3 355.482 3.181 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1 ZINC000433036769 500610440 /nfs/dbraw/zinc/61/04/40/500610440.db2.gz YTUTUHMKVVJFAO-GOSISDBHSA-N 0 3 350.422 3.359 20 30 FGEDHN COc1cc(CN2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000442883116 500639439 /nfs/dbraw/zinc/63/94/39/500639439.db2.gz UIJAGSCJQJTROB-HDICACEKSA-N 0 3 371.525 3.278 20 30 FGEDHN COC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCCO1 ZINC000433187492 500642180 /nfs/dbraw/zinc/64/21/80/500642180.db2.gz AHCZXBNMRRCJMO-FCHUYYIVSA-N 0 3 366.461 3.421 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C ZINC000437518137 500653833 /nfs/dbraw/zinc/65/38/33/500653833.db2.gz LGDFRAUUPURWIN-XJKSGUPXSA-N 0 3 369.494 3.210 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433308592 500668155 /nfs/dbraw/zinc/66/81/55/500668155.db2.gz ZEGWKMMCCUJAKZ-HXUWFJFHSA-N 0 3 367.468 3.488 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000437614902 500669231 /nfs/dbraw/zinc/66/92/31/500669231.db2.gz GORBXDUUNHEOKQ-ICSRJNTNSA-N 0 3 371.525 3.104 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000437638576 500673566 /nfs/dbraw/zinc/67/35/66/500673566.db2.gz AUPQCFJWRHAEKH-JQHSSLGASA-N 0 3 365.543 3.411 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000437929898 500718360 /nfs/dbraw/zinc/71/83/60/500718360.db2.gz HZCKTRNXLKKIAM-ZCNNSNEGSA-N 0 3 357.498 3.104 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000437929892 500718495 /nfs/dbraw/zinc/71/84/95/500718495.db2.gz HZCKTRNXLKKIAM-AABGKKOBSA-N 0 3 357.498 3.104 20 30 FGEDHN COc1cccc(OCCN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000443622115 500746671 /nfs/dbraw/zinc/74/66/71/500746671.db2.gz JRYIEHSLCLRKSB-UHFFFAOYSA-N 0 3 351.450 3.158 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000448603952 500782915 /nfs/dbraw/zinc/78/29/15/500782915.db2.gz AZBGVHGUURAOJK-FQEVSTJZSA-N 0 3 350.462 3.185 20 30 FGEDHN CS[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1N(C)C ZINC000444331857 500835527 /nfs/dbraw/zinc/83/55/27/500835527.db2.gz QJELLZSVCJDIAG-RTBURBONSA-N 0 3 370.522 3.063 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](CC(F)(F)F)C2)c(OC)c1 ZINC000444716846 500886992 /nfs/dbraw/zinc/88/69/92/500886992.db2.gz LBVDSNYXTFQVLF-JKSUJKDBSA-N 0 3 373.415 3.438 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2ccnn2CC)CC1 ZINC000434789702 500894742 /nfs/dbraw/zinc/89/47/42/500894742.db2.gz NKVKFUSFUSDREO-HXUWFJFHSA-N 0 3 369.509 3.251 20 30 FGEDHN CC1(C#N)CCC(Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)CC1 ZINC000449052624 500912740 /nfs/dbraw/zinc/91/27/40/500912740.db2.gz DWPNVGFZDXOOAZ-XPQZIERPSA-N 0 3 354.498 3.268 20 30 FGEDHN C[C@@H](N[C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611589741 506223967 /nfs/dbraw/zinc/22/39/67/506223967.db2.gz VWRUCKWYKZUZKM-VGOFRKELSA-N 0 3 367.468 3.375 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000439664152 500923870 /nfs/dbraw/zinc/92/38/70/500923870.db2.gz UPNQKQDOOBNEBM-HKBOAZHASA-N 0 3 363.461 3.151 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnn(C)c1C(F)(F)F)C(C)C ZINC000445025123 500934474 /nfs/dbraw/zinc/93/44/74/500934474.db2.gz XQWYMOMLDXEEDJ-AWEZNQCLSA-N 0 3 373.423 3.259 20 30 FGEDHN CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000445775905 501030992 /nfs/dbraw/zinc/03/09/92/501030992.db2.gz TUDZFIBEHBGTMZ-OAQYLSRUSA-N 0 3 359.473 3.323 20 30 FGEDHN C[C@H]1OCC[C@H]1N(CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449675531 501058878 /nfs/dbraw/zinc/05/88/78/501058878.db2.gz AIGPNBAOFUCUEN-VGOFRKELSA-N 0 3 366.461 3.109 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCc1ccccc1CN1CC[C@H](O)C1 ZINC000611617990 506230280 /nfs/dbraw/zinc/23/02/80/506230280.db2.gz QMORMUDPXDAYTA-FQEVSTJZSA-N 0 3 372.472 3.016 20 30 FGEDHN C=CCC1(C(=O)NCc2ccc(OCCN(C)C)c(OC)c2)CCCC1 ZINC000449824980 501098484 /nfs/dbraw/zinc/09/84/84/501098484.db2.gz NXGWGVROXGBHNR-UHFFFAOYSA-N 0 3 360.498 3.388 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cn(C)nc1C(F)(F)F)C(C)C ZINC000446340491 501107633 /nfs/dbraw/zinc/10/76/33/501107633.db2.gz JUTBRJSVODJAMZ-CQSZACIVSA-N 0 3 373.423 3.259 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCCN(Cc4ccccc4)CC3)o2)c1 ZINC000441257703 501109923 /nfs/dbraw/zinc/10/99/23/501109923.db2.gz IRLQGIJHQLAJHT-UHFFFAOYSA-N 0 3 373.460 3.316 20 30 FGEDHN CCN1CCN(c2cccc(N[C@@H](C)CC3(C#N)CCOCC3)c2)CC1 ZINC000602620663 506234975 /nfs/dbraw/zinc/23/49/75/506234975.db2.gz ZTFQOCUGIUWTEJ-SFHVURJKSA-N 0 3 356.514 3.339 20 30 FGEDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C#N)cc1F ZINC000436676683 501185925 /nfs/dbraw/zinc/18/59/25/501185925.db2.gz SAERRRUPRGNRRZ-AWEZNQCLSA-N 0 3 367.424 3.358 20 30 FGEDHN CN(C)[C@@H](CNc1ncc(Br)cc1C#N)c1cccs1 ZINC000450214968 501212237 /nfs/dbraw/zinc/21/22/37/501212237.db2.gz JMFLDPFJZSSANH-LBPRGKRZSA-N 0 3 351.273 3.492 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1 ZINC000450287247 501226042 /nfs/dbraw/zinc/22/60/42/501226042.db2.gz PFPFRLFDTDTXLX-RTWAWAEBSA-N 0 3 350.462 3.008 20 30 FGEDHN Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ncc1C#N ZINC000457586399 501263772 /nfs/dbraw/zinc/26/37/72/501263772.db2.gz VHORHCKZVYTCOK-PXNSSMCTSA-N 0 3 362.477 3.387 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1C ZINC000451424010 501289836 /nfs/dbraw/zinc/28/98/36/501289836.db2.gz SKCJYEJJIRZWIZ-CEWLAPEOSA-N 0 3 369.509 3.176 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000457752069 501301369 /nfs/dbraw/zinc/30/13/69/501301369.db2.gz UCMTVLQJNKSWHN-WOJBJXKFSA-N 0 3 357.498 3.138 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C)(C)[C@H]1c1nccn1C)C(C)C ZINC000457754692 501301882 /nfs/dbraw/zinc/30/18/82/501301882.db2.gz RQOJTGJDLZRGJL-ZWKOTPCHSA-N 0 3 373.545 3.211 20 30 FGEDHN CO[C@H]1C[C@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C ZINC000451494508 501305936 /nfs/dbraw/zinc/30/59/36/501305936.db2.gz KWVMPLBQARXNDY-HOTGVXAUSA-N 0 3 361.511 3.230 20 30 FGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453365221 501320493 /nfs/dbraw/zinc/32/04/93/501320493.db2.gz RDYDMGOPHMHUEE-WBVHZDCISA-N 0 3 351.512 3.381 20 30 FGEDHN C=CCn1c(N2CCN(CC3CCCCC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453448132 501334441 /nfs/dbraw/zinc/33/44/41/501334441.db2.gz YBZIBIVXYLXANB-OAQYLSRUSA-N 0 3 373.545 3.192 20 30 FGEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453456866 501337282 /nfs/dbraw/zinc/33/72/82/501337282.db2.gz WSKUMQRXHMNJSL-LTFXXXRZSA-N 0 3 373.545 3.118 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453469405 501340632 /nfs/dbraw/zinc/34/06/32/501340632.db2.gz WMCWMPLDSZUMAZ-HCXYKTFWSA-N 0 3 373.545 3.262 20 30 FGEDHN CCCCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1OC ZINC000451649087 501343751 /nfs/dbraw/zinc/34/37/51/501343751.db2.gz HQNBLRBSYYGKPP-WOJBJXKFSA-N 0 3 357.498 3.234 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000451655637 501345476 /nfs/dbraw/zinc/34/54/76/501345476.db2.gz YSAFGGNXTIFUHF-SQNIBIBYSA-N 0 3 350.890 3.430 20 30 FGEDHN N#CCCn1cc(CNCCOCC2CCCC2)c(-c2ccncc2)n1 ZINC000453579956 501352969 /nfs/dbraw/zinc/35/29/69/501352969.db2.gz FTZNQHRCKZGMAR-UHFFFAOYSA-N 0 3 353.470 3.155 20 30 FGEDHN C[C@H]1C[C@]1(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451699207 501354368 /nfs/dbraw/zinc/35/43/68/501354368.db2.gz UNUDEWXLVVBTBO-MDFGKDKASA-N 0 3 359.473 3.321 20 30 FGEDHN N#Cc1ncc(NC(=O)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000455759116 501380144 /nfs/dbraw/zinc/38/01/44/501380144.db2.gz RBLUVXBNGDCCBJ-UHFFFAOYSA-N 0 3 369.856 3.177 20 30 FGEDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000451841545 501384067 /nfs/dbraw/zinc/38/40/67/501384067.db2.gz LUDNWFLKWDUBNB-WOJBJXKFSA-N 0 3 370.541 3.355 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000458235322 501400492 /nfs/dbraw/zinc/40/04/92/501400492.db2.gz YWTDIXCBQXDWNR-LJQANCHMSA-N 0 3 355.507 3.411 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cc(C)cc(C#N)c2)cc1 ZINC000455948449 501423615 /nfs/dbraw/zinc/42/36/15/501423615.db2.gz AZJLRAFYQLSMPB-LJQANCHMSA-N 0 3 352.438 3.300 20 30 FGEDHN CC(C)n1cc(C2=CCCN([C@@H](C)CC3(C#N)CCOCC3)CC2)nn1 ZINC000602677221 506258147 /nfs/dbraw/zinc/25/81/47/506258147.db2.gz WFGVDWYHWBETCH-KRWDZBQOSA-N 0 3 357.502 3.437 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CC(C(C)(C)C)C1 ZINC000458840707 501541983 /nfs/dbraw/zinc/54/19/83/501541983.db2.gz BBKYTIMGQPTSBE-UHFFFAOYSA-N 0 3 356.514 3.456 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453027983 501604639 /nfs/dbraw/zinc/60/46/39/501604639.db2.gz QNUJHWMSKCUSGU-MRXNPFEDSA-N 0 3 357.498 3.328 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1F ZINC000456826914 501606499 /nfs/dbraw/zinc/60/64/99/501606499.db2.gz CNGABTGZUKFHCC-SFHVURJKSA-N 0 3 369.415 3.365 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC(C)(C)CC#N ZINC000459257799 501620326 /nfs/dbraw/zinc/62/03/26/501620326.db2.gz KQMJXMPPLYWBAA-UHFFFAOYSA-N 0 3 357.502 3.269 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000459486495 501662405 /nfs/dbraw/zinc/66/24/05/501662405.db2.gz UYFFURAMFBWPGS-YESZJQIVSA-N 0 3 374.554 3.291 20 30 FGEDHN Cc1cc(NCc2ccccc2OCCN(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596117740 506266883 /nfs/dbraw/zinc/26/68/83/506266883.db2.gz IRGRRUFJFIRQTP-UHFFFAOYSA-N 0 3 354.410 3.327 20 30 FGEDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCC2 ZINC000459756762 501709724 /nfs/dbraw/zinc/70/97/24/501709724.db2.gz KHTVQAMOBZHABQ-FHLIZLRMSA-N 0 3 359.445 3.008 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000474236078 501754821 /nfs/dbraw/zinc/75/48/21/501754821.db2.gz WRWXBEDWPWFCEW-NRFANRHFSA-N 0 3 360.498 3.353 20 30 FGEDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000470691347 501769845 /nfs/dbraw/zinc/76/98/45/501769845.db2.gz WEARUUYJFZGCDD-QGZVFWFLSA-N 0 3 367.449 3.333 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC000599002337 506272531 /nfs/dbraw/zinc/27/25/31/506272531.db2.gz PZMWCEHVQHFKOK-QUCCMNQESA-N 0 3 353.422 3.090 20 30 FGEDHN C=CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)Cc1ccccc1F ZINC000460387485 501811149 /nfs/dbraw/zinc/81/11/49/501811149.db2.gz NMWAFLMIRHTMRM-NRFANRHFSA-N 0 3 369.484 3.233 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460391077 501812756 /nfs/dbraw/zinc/81/27/56/501812756.db2.gz UPTHXKSVFMBSFI-DLBZAZTESA-N 0 3 354.502 3.144 20 30 FGEDHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470832876 501822161 /nfs/dbraw/zinc/82/21/61/501822161.db2.gz UHGNIHBYNGVYBX-XLIONFOSSA-N 0 3 361.445 3.441 20 30 FGEDHN COc1cc(Cl)ccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470880152 501840534 /nfs/dbraw/zinc/84/05/34/501840534.db2.gz NRTJGVVDEFGDRQ-MRXNPFEDSA-N 0 3 353.809 3.219 20 30 FGEDHN N#CC1(F)CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000478164274 501898226 /nfs/dbraw/zinc/89/82/26/501898226.db2.gz GNHQIILYLLBGDQ-UHFFFAOYSA-N 0 3 374.460 3.411 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000471062735 501905995 /nfs/dbraw/zinc/90/59/95/501905995.db2.gz TVGKNAWRLAHBQF-RHSMWYFYSA-N 0 3 351.793 3.144 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccnc1N1CCOCC1 ZINC000481920235 501919007 /nfs/dbraw/zinc/91/90/07/501919007.db2.gz UGAYAOZKDCENFO-OAQYLSRUSA-N 0 3 362.477 3.347 20 30 FGEDHN CCC(CC)[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000471102441 501919827 /nfs/dbraw/zinc/91/98/27/501919827.db2.gz ZBWYOEOKLVKOHK-AABGKKOBSA-N 0 3 353.466 3.341 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1nc2ncccc2cc1C#N ZINC000596158386 506285912 /nfs/dbraw/zinc/28/59/12/506285912.db2.gz WPXJMNGLDSFHCL-UHFFFAOYSA-N 0 3 367.403 3.348 20 30 FGEDHN CCOC(=O)c1coc(CNC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000475094366 502054368 /nfs/dbraw/zinc/05/43/68/502054368.db2.gz JNRIKSMQNVUIQY-UHFFFAOYSA-N 0 3 369.421 3.203 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(C)ccc2OC(F)F)CC1 ZINC000464814297 502103049 /nfs/dbraw/zinc/10/30/49/502103049.db2.gz RIYMNKORFXMMHJ-UHFFFAOYSA-N 0 3 367.440 3.436 20 30 FGEDHN CN(CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000471856836 502156033 /nfs/dbraw/zinc/15/60/33/502156033.db2.gz AMZUTEVGBWTLOO-FQEVSTJZSA-N 0 3 360.461 3.273 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)CC1 ZINC000468790916 502184406 /nfs/dbraw/zinc/18/44/06/502184406.db2.gz BYDYKGRTQNLOQL-GOSISDBHSA-N 0 3 367.896 3.239 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N[C@H]2CCC[C@H]2C#N)c2ccccc2)CC1 ZINC000461940226 502245299 /nfs/dbraw/zinc/24/52/99/502245299.db2.gz FRINRRUKBFNACW-SLFFLAALSA-N 0 3 354.498 3.451 20 30 FGEDHN CC(C#N)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000468975633 502249199 /nfs/dbraw/zinc/24/91/99/502249199.db2.gz PFAIYRCIZOBFSK-SGTLLEGYSA-N 0 3 356.809 3.476 20 30 FGEDHN COCCSc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000469037013 502273299 /nfs/dbraw/zinc/27/32/99/502273299.db2.gz PSPXWODMNJHVFN-LSDHHAIUSA-N 0 3 361.511 3.027 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H]1c1ccccc1)C(C)C ZINC000465537724 502297213 /nfs/dbraw/zinc/29/72/13/502297213.db2.gz DJFYAEFQRVPQPE-RTWAWAEBSA-N 0 3 371.525 3.468 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCS[C@H](C(C)C)C1)C(C)C ZINC000465543504 502299243 /nfs/dbraw/zinc/29/92/43/502299243.db2.gz KREKWYPUUUFKOT-MSOLQXFVSA-N 0 3 353.576 3.468 20 30 FGEDHN CCN1CCN(Cc2ccc(CNc3nc(C)cc(C)c3C#N)cc2)CC1 ZINC000486962564 502316824 /nfs/dbraw/zinc/31/68/24/502316824.db2.gz DVYURMHQGSMOAV-UHFFFAOYSA-N 0 3 363.509 3.320 20 30 FGEDHN CCCc1cc(N2CCN(c3c(C#N)c(C)nn3C)CC2)c2ccccc2n1 ZINC000472425661 502348344 /nfs/dbraw/zinc/34/83/44/502348344.db2.gz NQFLHYISESHUGA-UHFFFAOYSA-N 0 3 374.492 3.428 20 30 FGEDHN C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N(C)Cc1ccccc1 ZINC000469283394 502360748 /nfs/dbraw/zinc/36/07/48/502360748.db2.gz SQMFKGBQLVAQTK-MRXNPFEDSA-N 0 3 374.444 3.464 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1)C(C)C ZINC000476026703 502362030 /nfs/dbraw/zinc/36/20/30/502362030.db2.gz CGOJLBNNDCGDJB-XLIONFOSSA-N 0 3 372.557 3.453 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000476026703 502362035 /nfs/dbraw/zinc/36/20/35/502362035.db2.gz CGOJLBNNDCGDJB-XLIONFOSSA-N 0 3 372.557 3.453 20 30 FGEDHN Cc1ccc(C2=CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000472480474 502364655 /nfs/dbraw/zinc/36/46/55/502364655.db2.gz ZCMDPVVIMRNJGK-NRFANRHFSA-N 0 3 356.429 3.260 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462259561 502370430 /nfs/dbraw/zinc/37/04/30/502370430.db2.gz NOYWYRPYQDSFSH-KXBFYZLASA-N 0 3 364.449 3.209 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CC=CCC2)cc1 ZINC000483532745 502422887 /nfs/dbraw/zinc/42/28/87/502422887.db2.gz OOKSBVKFNQMIGP-HUUCEWRRSA-N 0 3 361.467 3.192 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000483546975 502428026 /nfs/dbraw/zinc/42/80/26/502428026.db2.gz UNUNGSHSSIQGTP-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN Cn1cc(CNCCOc2ccccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000480013707 502446036 /nfs/dbraw/zinc/44/60/36/502446036.db2.gz AWJNAAKDGXYTFD-UHFFFAOYSA-N 0 3 350.397 3.266 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@@H](COC)Cc2ccccc2)CC1 ZINC000472999538 502494564 /nfs/dbraw/zinc/49/45/64/502494564.db2.gz JGKGPBVVJICOQK-OAQYLSRUSA-N 0 3 373.541 3.316 20 30 FGEDHN C=CCC[C@H](O)CN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005420 502496708 /nfs/dbraw/zinc/49/67/08/502496708.db2.gz AUJYNEVZMVACKM-RTWAWAEBSA-N 0 3 352.478 3.361 20 30 FGEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000469712371 502511286 /nfs/dbraw/zinc/51/12/86/502511286.db2.gz IAEUAXRZAHGBRK-JTQLQIEISA-N 0 3 354.237 3.330 20 30 FGEDHN C=CCN(Cc1ccc(C#N)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483924115 502523031 /nfs/dbraw/zinc/52/30/31/502523031.db2.gz MCXJXJUIUNUISD-HNNXBMFYSA-N 0 3 362.412 3.422 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC000462724943 502550360 /nfs/dbraw/zinc/55/03/60/502550360.db2.gz KGJBZOHLTOLOSX-LJQANCHMSA-N 0 3 366.461 3.021 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2CC)CC1 ZINC000466702348 502647057 /nfs/dbraw/zinc/64/70/57/502647057.db2.gz BVGJNJHWNTWQKF-UHFFFAOYSA-N 0 3 353.470 3.207 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1OC ZINC000463035562 502668783 /nfs/dbraw/zinc/66/87/83/502668783.db2.gz RDYMGGVNKTZJCT-JOCHJYFZSA-N 0 3 353.462 3.396 20 30 FGEDHN COCC1(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCC1 ZINC000463075501 502684506 /nfs/dbraw/zinc/68/45/06/502684506.db2.gz ZTQCDHLGBRTOGN-UHFFFAOYSA-N 0 3 350.466 3.045 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000467036435 502766184 /nfs/dbraw/zinc/76/61/84/502766184.db2.gz SCSUTWPRAJEBQP-WBMJQRKESA-N 0 3 368.399 3.483 20 30 FGEDHN N#C[C@H]1CC[C@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000473992466 502774152 /nfs/dbraw/zinc/77/41/52/502774152.db2.gz DVFVTYSJEINYNL-BBRMVZONSA-N 0 3 364.287 3.068 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467115785 502791158 /nfs/dbraw/zinc/79/11/58/502791158.db2.gz IXIXBGMBHCVHFH-MAUKXSAKSA-N 0 3 364.449 3.351 20 30 FGEDHN COc1cc(CN2CC[C@@H](CO)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000488755980 502803141 /nfs/dbraw/zinc/80/31/41/502803141.db2.gz VAZGLGYVNNTJDU-JXFKEZNVSA-N 0 3 366.461 3.349 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(C#N)cc(N(C)C)c1)N(C)C ZINC000504985079 502835681 /nfs/dbraw/zinc/83/56/81/502835681.db2.gz KZLXZRQASFYAMZ-HRAATJIYSA-N 0 3 364.493 3.354 20 30 FGEDHN C=CCn1cccc1C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000488930416 502841138 /nfs/dbraw/zinc/84/11/38/502841138.db2.gz FPBFICGCBLQFEK-SFHVURJKSA-N 0 3 367.493 3.304 20 30 FGEDHN C=CCSCCNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000509178713 502842032 /nfs/dbraw/zinc/84/20/32/502842032.db2.gz OAZHLBUZPTUPJA-IBGZPJMESA-N 0 3 361.555 3.459 20 30 FGEDHN CSc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000496934266 502914261 /nfs/dbraw/zinc/91/42/61/502914261.db2.gz NGYKREJJMHYXTF-UHFFFAOYSA-N 0 3 369.494 3.271 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000505596780 502945291 /nfs/dbraw/zinc/94/52/91/502945291.db2.gz NRLGTYYENZPGGI-TWOQFEAHSA-N 0 3 351.450 3.133 20 30 FGEDHN C=CCCCS(=O)(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 ZINC000489686535 503011273 /nfs/dbraw/zinc/01/12/73/503011273.db2.gz CGUWCZPAEYTZKO-UHFFFAOYSA-N 0 3 362.539 3.271 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513862740 503038237 /nfs/dbraw/zinc/03/82/37/503038237.db2.gz YXMHSOXMXKMTPV-WPUCRFQZSA-N 0 3 359.857 3.086 20 30 FGEDHN N#Cc1cscc1C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000497794533 503043190 /nfs/dbraw/zinc/04/31/90/503043190.db2.gz UWSDHJIPMRSKRD-UHFFFAOYSA-N 0 3 369.490 3.067 20 30 FGEDHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C(C)C#N)CC2 ZINC000510337443 503094503 /nfs/dbraw/zinc/09/45/03/503094503.db2.gz ZOYNTTPOSXLJPW-JLTOFOAXSA-N 0 3 350.418 3.338 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CNc1ccc(C#N)cc1)N(C)C ZINC000510525227 503133326 /nfs/dbraw/zinc/13/33/26/503133326.db2.gz PQBFIPXDNRVULD-IIBYNOLFSA-N 0 3 350.466 3.086 20 30 FGEDHN C[C@@H](NCCCn1cc(Br)cn1)c1ccc(C#N)cc1F ZINC000490239740 503139195 /nfs/dbraw/zinc/13/91/95/503139195.db2.gz GIFFCSVYLJLYHQ-LLVKDONJSA-N 0 3 351.223 3.397 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000498285572 503150323 /nfs/dbraw/zinc/15/03/23/503150323.db2.gz NOKKDYOBSXTHAC-VQTJNVASSA-N 0 3 353.466 3.465 20 30 FGEDHN N#CC1(CCCN[C@H](CO)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000602926711 506354862 /nfs/dbraw/zinc/35/48/62/506354862.db2.gz VZURKENGDUJPOT-MRXNPFEDSA-N 0 3 356.388 3.429 20 30 FGEDHN C[C@]1(c2cccc(F)c2)CCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000593046864 506358459 /nfs/dbraw/zinc/35/84/59/506358459.db2.gz UHJWPYOWOPDBOB-UNMCSNQZSA-N 0 3 368.452 3.295 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)CC1 ZINC000507175917 503243483 /nfs/dbraw/zinc/24/34/83/503243483.db2.gz ATKFWLJPCRJAIV-FQEVSTJZSA-N 0 3 363.452 3.365 20 30 FGEDHN CCN(CCC(=O)NCC(=O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000511118132 503259498 /nfs/dbraw/zinc/25/94/98/503259498.db2.gz ZQZPFZZSUJWNRL-KRWDZBQOSA-N 0 3 363.461 3.330 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2c(F)cccc2C#N)c1 ZINC000511146742 503268942 /nfs/dbraw/zinc/26/89/42/503268942.db2.gz QFCDTSHHCHKZBN-UHFFFAOYSA-N 0 3 353.441 3.139 20 30 FGEDHN CCC1(N2CCOCC2)CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000599184029 506363560 /nfs/dbraw/zinc/36/35/60/506363560.db2.gz WDXGIOMGMHMHQT-UHFFFAOYSA-N 0 3 350.466 3.188 20 30 FGEDHN C=CCCCCCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000515388246 503329043 /nfs/dbraw/zinc/32/90/43/503329043.db2.gz VKBLQFQHRDDIBS-UHFFFAOYSA-N 0 3 358.530 3.476 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593057797 506366046 /nfs/dbraw/zinc/36/60/46/506366046.db2.gz BQPDUFPTCRMMIQ-CHWSQXEVSA-N 0 3 371.359 3.450 20 30 FGEDHN CC[C@H]1C[C@@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000507816052 503373124 /nfs/dbraw/zinc/37/31/24/503373124.db2.gz YQLCAILWSPWCRJ-HKUYNNGSSA-N 0 3 364.493 3.434 20 30 FGEDHN Cn1cccc(C(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1=O ZINC000503421262 503405590 /nfs/dbraw/zinc/40/55/90/503405590.db2.gz VRUOVQWIZHLIHE-NSHDSACASA-N 0 3 371.368 3.277 20 30 FGEDHN N#Cc1c(F)cccc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593067991 506371879 /nfs/dbraw/zinc/37/18/79/506371879.db2.gz OGEGRVVEFNDRBY-FCHUYYIVSA-N 0 3 365.452 3.173 20 30 FGEDHN C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000582705916 506374945 /nfs/dbraw/zinc/37/49/45/506374945.db2.gz ISZLNOLBNGONLA-XMSQKQJNSA-N 0 3 350.462 3.295 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cccc4cccnc43)C2=O)cc1 ZINC000503952568 503496835 /nfs/dbraw/zinc/49/68/35/503496835.db2.gz NXQPJXMMDXYCAP-FQEVSTJZSA-N 0 3 356.429 3.392 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000508569138 503521101 /nfs/dbraw/zinc/52/11/01/503521101.db2.gz MUONTBLBQUCERT-IAGOWNOFSA-N 0 3 367.415 3.427 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)N(C)C)cc1 ZINC000508707165 503548055 /nfs/dbraw/zinc/54/80/55/503548055.db2.gz QSRUYNUVOCAPDO-HXUWFJFHSA-N 0 3 365.452 3.457 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000504790531 503616146 /nfs/dbraw/zinc/61/61/46/503616146.db2.gz VAPYRVUTXOZFHR-IBGZPJMESA-N 0 3 369.415 3.332 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1)OCC ZINC000500408293 503617334 /nfs/dbraw/zinc/61/73/34/503617334.db2.gz JJCSVWSOJWCVQR-VQTJNVASSA-N 0 3 360.498 3.320 20 30 FGEDHN Cc1cc(NC(=O)NCCCC#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000543315163 503721402 /nfs/dbraw/zinc/72/14/02/503721402.db2.gz FNRDDDJBESFHND-GOSISDBHSA-N 0 3 366.469 3.064 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000540322469 503735537 /nfs/dbraw/zinc/73/55/37/503735537.db2.gz PJAKWWGYYNGKED-FHSNZYRGSA-N 0 3 353.413 3.382 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000517441786 503746154 /nfs/dbraw/zinc/74/61/54/503746154.db2.gz FZMBLKJHZUOENP-AUUYWEPGSA-N 0 3 352.413 3.339 20 30 FGEDHN N#Cc1cnc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c(Cl)c1 ZINC000533208143 503761302 /nfs/dbraw/zinc/76/13/02/503761302.db2.gz ZNAZMXVXHLVCOW-QGZVFWFLSA-N 0 3 354.841 3.174 20 30 FGEDHN C[C@@H]1CN(CCCNCc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000517629766 503789473 /nfs/dbraw/zinc/78/94/73/503789473.db2.gz BWRRCXARYFZYMZ-OKILXGFUSA-N 0 3 355.404 3.166 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C1)CC2 ZINC000517631137 503791257 /nfs/dbraw/zinc/79/12/57/503791257.db2.gz LXNGOGCUBBBVBY-FVTFTPSCSA-N 0 3 357.457 3.292 20 30 FGEDHN C=CCc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc(OC)c1OC ZINC000530029608 503803761 /nfs/dbraw/zinc/80/37/61/503803761.db2.gz OBQOZAMHGJGSEZ-SFHVURJKSA-N 0 3 358.482 3.179 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000517712276 503814276 /nfs/dbraw/zinc/81/42/76/503814276.db2.gz WRSGAYFHTOJKEW-UHFFFAOYSA-N 0 3 353.466 3.183 20 30 FGEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000533426113 503839572 /nfs/dbraw/zinc/83/95/72/503839572.db2.gz XKIGFKSFAUTKNR-GOSISDBHSA-N 0 3 359.514 3.108 20 30 FGEDHN CCN1CCN(Cc2ccc(CNCc3ccc(C#N)cc3F)cc2)CC1 ZINC000533449054 503850945 /nfs/dbraw/zinc/85/09/45/503850945.db2.gz DWOSXHRQRYBFON-UHFFFAOYSA-N 0 3 366.484 3.125 20 30 FGEDHN C=CCOc1ccccc1CNC[C@H](Cc1ccccc1Cl)C(N)=O ZINC000540734144 503874256 /nfs/dbraw/zinc/87/42/56/503874256.db2.gz FKNNPDVGAOLVBF-KRWDZBQOSA-N 0 3 358.869 3.339 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000533539666 503882294 /nfs/dbraw/zinc/88/22/94/503882294.db2.gz AVHNPRBAVXBMFR-SQNIBIBYSA-N 0 3 373.472 3.209 20 30 FGEDHN Cc1nc(SCC(=O)N2CC[C@H](N3CCCCC3)C2)c(C#N)c(C)c1C ZINC000518088761 503906024 /nfs/dbraw/zinc/90/60/24/503906024.db2.gz DXAUHSOVWPJPSU-KRWDZBQOSA-N 0 3 372.538 3.057 20 30 FGEDHN C=CCc1cc(CN[C@]2(COC)COc3ccccc3C2)cc(OC)c1O ZINC000527801749 503951217 /nfs/dbraw/zinc/95/12/17/503951217.db2.gz WMMWQXWDOJZAMY-JOCHJYFZSA-N 0 3 369.461 3.239 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561294 503953662 /nfs/dbraw/zinc/95/36/62/503953662.db2.gz LHNFCKZYADZJKV-GOSISDBHSA-N 0 3 373.545 3.456 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537561294 503953667 /nfs/dbraw/zinc/95/36/67/503953667.db2.gz LHNFCKZYADZJKV-GOSISDBHSA-N 0 3 373.545 3.456 20 30 FGEDHN C=CCCOCCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000533833056 503963898 /nfs/dbraw/zinc/96/38/98/503963898.db2.gz JYLNMKBAPGLOQP-JOCHJYFZSA-N 0 3 371.525 3.277 20 30 FGEDHN N#CC(C(=O)c1ccn(Cc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000541019854 503977257 /nfs/dbraw/zinc/97/72/57/503977257.db2.gz KZTNOBLIMDLFEV-GOSISDBHSA-N 0 3 359.433 3.344 20 30 FGEDHN COC(=O)C[C@@](C)(NCCOc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000518433489 503982727 /nfs/dbraw/zinc/98/27/27/503982727.db2.gz RSJFYQMTIKKZLE-OAQYLSRUSA-N 0 3 368.433 3.014 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)CCOc2cccc(Cl)c2)CC1 ZINC000518510930 504003959 /nfs/dbraw/zinc/00/39/59/504003959.db2.gz KVLYDAVCWGBGAN-UHFFFAOYSA-N 0 3 365.905 3.401 20 30 FGEDHN C=C[C@H](CC(=O)N1CC[C@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000533987622 504010350 /nfs/dbraw/zinc/01/03/50/504010350.db2.gz OUULJTOWAYYNEB-CTNGQTDRSA-N 0 3 356.510 3.450 20 30 FGEDHN C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCCC[C@@H]1C ZINC000544299254 504079127 /nfs/dbraw/zinc/07/91/27/504079127.db2.gz LBYHNNGVPMZGOJ-IRXDYDNUSA-N 0 3 354.498 3.495 20 30 FGEDHN CCN(CC)CCN(C(=O)CCCC#N)c1ccc(Br)cn1 ZINC000518986827 504112236 /nfs/dbraw/zinc/11/22/36/504112236.db2.gz YCHGGRNZLAXUJU-UHFFFAOYSA-N 0 3 367.291 3.213 20 30 FGEDHN C=CCc1cc(C(=O)N(CC)C[C@H]2CCCN2CC)cc(OC)c1OC ZINC000547477327 504120914 /nfs/dbraw/zinc/12/09/14/504120914.db2.gz GJPPUYGGBPMMHR-GOSISDBHSA-N 0 3 360.498 3.379 20 30 FGEDHN C[C@@H]1CCN(c2cc(C(=O)C(C#N)c3nc4ccccc4n3C)ccn2)C1 ZINC000547484453 504123030 /nfs/dbraw/zinc/12/30/30/504123030.db2.gz UTUASGXFKFIUGK-ZBFHGGJFSA-N 0 3 359.433 3.305 20 30 FGEDHN C=C(C)[C@H](CC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1)OCC ZINC000534421097 504137117 /nfs/dbraw/zinc/13/71/17/504137117.db2.gz IMFJXUXNLHUSAN-QUCCMNQESA-N 0 3 374.525 3.374 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528276478 504142847 /nfs/dbraw/zinc/14/28/47/504142847.db2.gz HLFKECHLNRWSSS-RBUKOAKNSA-N 0 3 353.491 3.314 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCN(CC)c2ccccc2C)CC1 ZINC000519282588 504182369 /nfs/dbraw/zinc/18/23/69/504182369.db2.gz FIRBKYYQJMEXTK-UHFFFAOYSA-N 0 3 358.530 3.161 20 30 FGEDHN Cc1nnc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c(C#N)c1C ZINC000531095320 504187120 /nfs/dbraw/zinc/18/71/20/504187120.db2.gz VGMJCRWQDUFRPF-QFIPXVFZSA-N 0 3 361.493 3.458 20 30 FGEDHN CN(Cc1ccc([S@](C)=O)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000538386953 504229166 /nfs/dbraw/zinc/22/91/66/504229166.db2.gz GKKZNVRCQOKKAO-BVZFJXPGSA-N 0 3 354.475 3.155 20 30 FGEDHN Cc1nnc(NC2CCN(CCOc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000531253447 504244178 /nfs/dbraw/zinc/24/41/78/504244178.db2.gz HLNADTAWUYRQLD-UHFFFAOYSA-N 0 3 369.444 3.060 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(N2CCOCC2)nc1 ZINC000519678503 504299383 /nfs/dbraw/zinc/29/93/83/504299383.db2.gz YYKBFEYYNSUMOL-OAQYLSRUSA-N 0 3 362.477 3.347 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1cccs1 ZINC000541969043 504318084 /nfs/dbraw/zinc/31/80/84/504318084.db2.gz YEXJZMSRPHIQAG-WMZOPIPTSA-N 0 3 360.527 3.466 20 30 FGEDHN Cc1ccnc(OC2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000542040754 504346333 /nfs/dbraw/zinc/34/63/33/504346333.db2.gz XTLBVJVVJSHUTI-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN C[C@]1(CO)CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@]1(C)CO ZINC000528750680 504362988 /nfs/dbraw/zinc/36/29/88/504362988.db2.gz HYQRUNFDABGTKT-SZPZYZBQSA-N 0 3 350.462 3.038 20 30 FGEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778851 504376695 /nfs/dbraw/zinc/37/66/95/504376695.db2.gz NQXZJGVOWNRAOB-YLJYHZDGSA-N 0 3 369.509 3.191 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528995097 504487417 /nfs/dbraw/zinc/48/74/17/504487417.db2.gz IRJJWVUXWVJQLS-MJBXVCDLSA-N 0 3 360.385 3.155 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000539337747 504534026 /nfs/dbraw/zinc/53/40/26/504534026.db2.gz VFTUHEWEKZONBH-AEFFLSMTSA-N 0 3 351.450 3.212 20 30 FGEDHN COCc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1C#N ZINC000529208549 504584744 /nfs/dbraw/zinc/58/47/44/504584744.db2.gz FDXGLDOKQLVUKT-UHFFFAOYSA-N 0 3 356.470 3.187 20 30 FGEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000548849940 504591198 /nfs/dbraw/zinc/59/11/98/504591198.db2.gz IAJXGMUXEKEJBK-UHFFFAOYSA-N 0 3 366.513 3.227 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000532352361 504621139 /nfs/dbraw/zinc/62/11/39/504621139.db2.gz QLZQUTLUUGPRBM-DYXWJJEUSA-N 0 3 370.541 3.152 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccnc4ccccc34)C2=O)cc1 ZINC000542814657 504622423 /nfs/dbraw/zinc/62/24/23/504622423.db2.gz CYVZFPFSDZXEHS-NRFANRHFSA-N 0 3 356.429 3.392 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC12CCC(CC1)C2 ZINC000536068992 504623844 /nfs/dbraw/zinc/62/38/44/504623844.db2.gz SAJBKVUQIXSOKE-UHFFFAOYSA-N 0 3 354.498 3.212 20 30 FGEDHN C=CC[C@H](CO)CNCc1cccc(Br)c1OC(F)F ZINC000539632887 504634312 /nfs/dbraw/zinc/63/43/12/504634312.db2.gz WWNSACDDVMXQSS-JTQLQIEISA-N 0 3 350.203 3.325 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(C#N)cc1OC)C(C)C ZINC000545999143 504668563 /nfs/dbraw/zinc/66/85/63/504668563.db2.gz JKCCVLAPAOHPOK-GOSISDBHSA-N 0 3 356.470 3.387 20 30 FGEDHN CC(C)N1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000532547025 504687992 /nfs/dbraw/zinc/68/79/92/504687992.db2.gz QRXWXERKBBGJRV-QGZVFWFLSA-N 0 3 374.554 3.293 20 30 FGEDHN N#CC(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccncn1 ZINC000546154184 504729284 /nfs/dbraw/zinc/72/92/84/504729284.db2.gz XZNOMCWGTCEUBF-LLVKDONJSA-N 0 3 355.247 3.169 20 30 FGEDHN N#CC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CCC1 ZINC000521466499 504741969 /nfs/dbraw/zinc/74/19/69/504741969.db2.gz RPSQQZBDMUDCAU-LEWJYISDSA-N 0 3 359.473 3.465 20 30 FGEDHN CCOc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000540032929 504763228 /nfs/dbraw/zinc/76/32/28/504763228.db2.gz IHJUXPGFIJWCRT-UHFFFAOYSA-N 0 3 368.437 3.433 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)C(C)C ZINC000556128092 504801924 /nfs/dbraw/zinc/80/19/24/504801924.db2.gz ZGUPNDYNGZQECD-FQEVSTJZSA-N 0 3 354.498 3.053 20 30 FGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000556173546 504810718 /nfs/dbraw/zinc/81/07/18/504810718.db2.gz KGBCJNJMIQTLDZ-HRAATJIYSA-N 0 3 353.441 3.076 20 30 FGEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000556200320 504817679 /nfs/dbraw/zinc/81/76/79/504817679.db2.gz BNKPASURNZPAON-BEFAXECRSA-N 0 3 357.479 3.420 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1(C#N)CC1 ZINC000559343544 504841495 /nfs/dbraw/zinc/84/14/95/504841495.db2.gz AFDFARABQDRNJG-UHFFFAOYSA-N 0 3 368.403 3.082 20 30 FGEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000565375945 504869268 /nfs/dbraw/zinc/86/92/68/504869268.db2.gz ZJNQAUVWDGRQTC-UHFFFAOYSA-N 0 3 359.489 3.331 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N3CC[C@H](N4CCCCC4)C3)c2c1 ZINC000553387639 504901220 /nfs/dbraw/zinc/90/12/20/504901220.db2.gz GFVXXTOKDHISNQ-INIZCTEOSA-N 0 3 366.465 3.188 20 30 FGEDHN C[C@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562711983 504918126 /nfs/dbraw/zinc/91/81/26/504918126.db2.gz XHNWOBUGDGNGGO-BLLLJJGKSA-N 0 3 361.511 3.373 20 30 FGEDHN N#CCCOCCN[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000550105018 504967951 /nfs/dbraw/zinc/96/79/51/504967951.db2.gz DXOZNSBPACOFGS-RXVVDRJESA-N 0 3 370.424 3.097 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000565816076 504996294 /nfs/dbraw/zinc/99/62/94/504996294.db2.gz LXKQVPYXVVEPTD-GFOJFJKKSA-N 0 3 369.509 3.337 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000565850749 505005915 /nfs/dbraw/zinc/00/59/15/505005915.db2.gz HCMJQMXYJAQUQW-SFTDATJTSA-N 0 3 365.477 3.496 20 30 FGEDHN CN1C(=O)C[C@H](N[C@H]2CCc3ccc(C#N)cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000565863462 505008544 /nfs/dbraw/zinc/00/85/44/505008544.db2.gz ZHOARZNXLDVQMD-IRFCIJBXSA-N 0 3 367.399 3.385 20 30 FGEDHN C=CC[C@H](CO)NC(=O)Nc1ccc(SCCN2CCCCC2)cc1 ZINC000563096683 505046667 /nfs/dbraw/zinc/04/66/67/505046667.db2.gz UAXMCZYUZKPINO-QGZVFWFLSA-N 0 3 363.527 3.323 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000566123482 505089396 /nfs/dbraw/zinc/08/93/96/505089396.db2.gz AISPUVWZQMTSDL-SIXWZSSISA-N 0 3 360.816 3.236 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000566152243 505098540 /nfs/dbraw/zinc/09/85/40/505098540.db2.gz OIMWBPSBVCYFBY-PXNSSMCTSA-N 0 3 354.498 3.232 20 30 FGEDHN C=C(C)CN1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560529180 505116636 /nfs/dbraw/zinc/11/66/36/505116636.db2.gz KHTADKYCNCUHJJ-IBGZPJMESA-N 0 3 369.469 3.048 20 30 FGEDHN CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000560587837 505134688 /nfs/dbraw/zinc/13/46/88/505134688.db2.gz DIRXDWVCOMLVFB-GOSISDBHSA-N 0 3 363.465 3.236 20 30 FGEDHN CC(C#N)C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000557448744 505137245 /nfs/dbraw/zinc/13/72/45/505137245.db2.gz NARZGAVTCMBENY-RXVVDRJESA-N 0 3 362.477 3.234 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)Cc1c(F)cccc1C#N)C1CC1 ZINC000560639029 505151572 /nfs/dbraw/zinc/15/15/72/505151572.db2.gz HJEMQVRNWFVFMR-OAQYLSRUSA-N 0 3 365.452 3.267 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2cnccc2C#N)N(CC)CC)cc1 ZINC000566382591 505159420 /nfs/dbraw/zinc/15/94/20/505159420.db2.gz VAOHQYQKKAWSGR-HXUWFJFHSA-N 0 3 350.466 3.329 20 30 FGEDHN C=CCCC1(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000557566701 505169374 /nfs/dbraw/zinc/16/93/74/505169374.db2.gz RKVBENXEXOXWLB-NRFANRHFSA-N 0 3 367.537 3.152 20 30 FGEDHN C=CCCC1(C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000557566704 505169468 /nfs/dbraw/zinc/16/94/68/505169468.db2.gz RKVBENXEXOXWLB-OAQYLSRUSA-N 0 3 367.537 3.152 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000560736515 505172672 /nfs/dbraw/zinc/17/26/72/505172672.db2.gz SLJCCUMJFAIHNT-TZIWHRDSSA-N 0 3 355.526 3.007 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1nccc(C#N)c1Cl ZINC000557627014 505186320 /nfs/dbraw/zinc/18/63/20/505186320.db2.gz KOJOBUJBQVMZFK-UHFFFAOYSA-N 0 3 350.800 3.453 20 30 FGEDHN CCNC(=O)C[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000551416545 505221477 /nfs/dbraw/zinc/22/14/77/505221477.db2.gz ORLLHIGKYFSNNC-MRXNPFEDSA-N 0 3 368.399 3.317 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000557789187 505231698 /nfs/dbraw/zinc/23/16/98/505231698.db2.gz UNHXZKSPSKXTBI-QZTJIDSGSA-N 0 3 371.525 3.189 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2cccc3ccccc32)c1 ZINC000554798139 505267174 /nfs/dbraw/zinc/26/71/74/505267174.db2.gz ZUWDLQAZZKLXCL-UHFFFAOYSA-N 0 3 364.470 3.317 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCCOc2ccc3ccccc3c2)cc1 ZINC000563978790 505293256 /nfs/dbraw/zinc/29/32/56/505293256.db2.gz OQEPBQUUBZVWON-FQEVSTJZSA-N 0 3 362.429 3.120 20 30 FGEDHN COc1ccc2c(c1)CCC[C@H]2N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000558061258 505299160 /nfs/dbraw/zinc/29/91/60/505299160.db2.gz FPQHBJNKONRZEN-PGRDOPGGSA-N 0 3 366.461 3.316 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CCC)C2CCCCC2)CC1 ZINC000561295938 505307722 /nfs/dbraw/zinc/30/77/22/505307722.db2.gz UNGIJWJDKFYCKU-IBGZPJMESA-N 0 3 363.546 3.008 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000564188554 505348121 /nfs/dbraw/zinc/34/81/21/505348121.db2.gz LTRNWECMWWCZNG-UHFFFAOYSA-N 0 3 352.463 3.216 20 30 FGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000555098101 505348841 /nfs/dbraw/zinc/34/88/41/505348841.db2.gz FXRCFYDTBDPHCL-GDBMZVCRSA-N 0 3 353.388 3.360 20 30 FGEDHN O=C(NCC#Cc1ccccc1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000561449466 505349329 /nfs/dbraw/zinc/34/93/29/505349329.db2.gz SNPPKTRGUVLLRJ-XMMPIXPASA-N 0 3 373.500 3.346 20 30 FGEDHN Cc1ccc([C@@H](CN[C@H]2CCc3ccc(C#N)cc32)N2CCOCC2)o1 ZINC000564431273 505418835 /nfs/dbraw/zinc/41/88/35/505418835.db2.gz BRNAXZCUGUBGQU-VQTJNVASSA-N 0 3 351.450 3.110 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000552244830 505439020 /nfs/dbraw/zinc/43/90/20/505439020.db2.gz HEHVLBWBIKUVQK-GOSISDBHSA-N 0 3 356.857 3.420 20 30 FGEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000558674719 505459920 /nfs/dbraw/zinc/45/99/20/505459920.db2.gz RXNMXJJDLQJWLT-UHFFFAOYSA-N 0 3 366.513 3.228 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CCN1Cc1ccccc1 ZINC000552538149 505509948 /nfs/dbraw/zinc/50/99/48/505509948.db2.gz MBDLVMSUWCLKDI-IIBYNOLFSA-N 0 3 362.477 3.017 20 30 FGEDHN COc1cc(CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)ccc1C#N ZINC000564869066 505544430 /nfs/dbraw/zinc/54/44/30/505544430.db2.gz NXKXSPIZAGPASV-KUHUBIRLSA-N 0 3 374.868 3.449 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)CN1Cc1ccccc1 ZINC000567776727 505562259 /nfs/dbraw/zinc/56/22/59/505562259.db2.gz LWOURISHYZRJKL-PXNSSMCTSA-N 0 3 354.498 3.375 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564962062 505563678 /nfs/dbraw/zinc/56/36/78/505563678.db2.gz AUHOXFOHUNXUBF-IEBWSBKVSA-N 0 3 359.539 3.392 20 30 FGEDHN CCc1oc2ccccc2c1CN(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599251336 506385734 /nfs/dbraw/zinc/38/57/34/506385734.db2.gz UUZBPUILCOWSRL-MRXNPFEDSA-N 0 3 356.466 3.498 20 30 FGEDHN Cc1ccccc1[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000582748963 506395758 /nfs/dbraw/zinc/39/57/58/506395758.db2.gz PIUYKDRFQJYHJJ-IBGZPJMESA-N 0 3 371.506 3.412 20 30 FGEDHN COc1c(C)cc(CN(C)C[C@H](O)COc2ccccc2C#N)cc1C ZINC000599279741 506396197 /nfs/dbraw/zinc/39/61/97/506396197.db2.gz UOUWTDDXMOGFTB-IBGZPJMESA-N 0 3 354.450 3.055 20 30 FGEDHN COc1ccccc1[C@H]1CCCCN1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599290724 506399639 /nfs/dbraw/zinc/39/96/39/506399639.db2.gz ZLKFTAMGDLMXAU-IEBWSBKVSA-N 0 3 358.482 3.294 20 30 FGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(F)c1 ZINC000603065741 506406309 /nfs/dbraw/zinc/40/63/09/506406309.db2.gz VWFTWZYARJSHFP-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN COc1cccc(C=C2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599310654 506406541 /nfs/dbraw/zinc/40/65/41/506406541.db2.gz YUKMUAKNVFBLJX-HXUWFJFHSA-N 0 3 370.493 3.246 20 30 FGEDHN CCC[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000599353848 506423732 /nfs/dbraw/zinc/42/37/32/506423732.db2.gz KQJZFCZQWWZBCZ-YJBOKZPZSA-N 0 3 352.425 3.467 20 30 FGEDHN COc1ccccc1[C@@H](CC(C)C)NC[C@@H](O)CC1(C#N)CCOCC1 ZINC000599355381 506425703 /nfs/dbraw/zinc/42/57/03/506425703.db2.gz ZSPMURIMYTTZLU-PKOBYXMFSA-N 0 3 360.498 3.443 20 30 FGEDHN CC[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCc2ccccc2C1 ZINC000612099786 506434613 /nfs/dbraw/zinc/43/46/13/506434613.db2.gz JFQNRYHSILEKKY-TZIWHRDSSA-N 0 3 354.498 3.159 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612106067 506439091 /nfs/dbraw/zinc/43/90/91/506439091.db2.gz QQDIDDUCSTUVPD-OAQYLSRUSA-N 0 3 354.498 3.295 20 30 FGEDHN Cc1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000599450216 506460511 /nfs/dbraw/zinc/46/05/11/506460511.db2.gz AYTUVVWLZIILRN-XZOQPEGZSA-N 0 3 361.489 3.342 20 30 FGEDHN COCCOCc1cc(C#N)ccc1NC[C@@H](c1ccsc1)N(C)C ZINC000603271319 506471840 /nfs/dbraw/zinc/47/18/40/506471840.db2.gz MOLBDWYIXQIZAK-IBGZPJMESA-N 0 3 359.495 3.498 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000596611050 506489208 /nfs/dbraw/zinc/48/92/08/506489208.db2.gz CPUUDBPCWHQZHL-SLFFLAALSA-N 0 3 354.498 3.027 20 30 FGEDHN N#CC(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1nnc2n1CCCCC2 ZINC000582923202 506490062 /nfs/dbraw/zinc/49/00/62/506490062.db2.gz RNUPJWIGEUSBRD-LLVKDONJSA-N 0 3 370.363 3.308 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC2(C#N)CCCC2)C1 ZINC000596644053 506506862 /nfs/dbraw/zinc/50/68/62/506506862.db2.gz TYXNLHQYQPLSCX-IBGZPJMESA-N 0 3 354.498 3.029 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000599626630 506538610 /nfs/dbraw/zinc/53/86/10/506538610.db2.gz XKMRAQJPVMZUMT-JNIAIEOXSA-N 0 3 357.498 3.340 20 30 FGEDHN CN(CC1CCCCC1)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630156 506539786 /nfs/dbraw/zinc/53/97/86/506539786.db2.gz IWXVFDBOONIHGA-UHFFFAOYSA-N 0 3 369.509 3.192 20 30 FGEDHN N#Cc1ccc(C2(NCCOc3cccc([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000599631218 506540288 /nfs/dbraw/zinc/54/02/88/506540288.db2.gz JTLTVPKKTSJBJI-UHFFFAOYSA-N 0 3 367.405 3.141 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)NCC3CCCCC3)CCOCC2)cc1 ZINC000599631292 506540502 /nfs/dbraw/zinc/54/05/02/506540502.db2.gz PSGQGFPEZXROQI-UHFFFAOYSA-N 0 3 369.509 3.240 20 30 FGEDHN C=C(C)COc1cc(CNCC2(C(=O)N(C)C)CCCC2)ccc1OC ZINC000603518544 506541521 /nfs/dbraw/zinc/54/15/21/506541521.db2.gz SOMLCQQLVICISW-UHFFFAOYSA-N 0 3 360.498 3.388 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000589463080 506556872 /nfs/dbraw/zinc/55/68/72/506556872.db2.gz FESSXQIPLZRESG-GOSISDBHSA-N 0 3 356.857 3.420 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2O1 ZINC000612479101 506592562 /nfs/dbraw/zinc/59/25/62/506592562.db2.gz OZGBFBHCQDYJJV-HNNXBMFYSA-N 0 3 355.825 3.181 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccsc2[nH]1 ZINC000603668510 506592768 /nfs/dbraw/zinc/59/27/68/506592768.db2.gz RPSZKZYMNHZDNU-UHFFFAOYSA-N 0 3 352.463 3.305 20 30 FGEDHN CN(C)CCN(Cc1cc(-n2ccnc2)cs1)Cc1ccc(C#N)cc1 ZINC000583111242 506593855 /nfs/dbraw/zinc/59/38/55/506593855.db2.gz NGHORRYRXOCPHX-UHFFFAOYSA-N 0 3 365.506 3.369 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593390561 506594449 /nfs/dbraw/zinc/59/44/49/506594449.db2.gz LKFROLRXRHHEEP-IERDGZPVSA-N 0 3 360.461 3.104 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000583199837 506645206 /nfs/dbraw/zinc/64/52/06/506645206.db2.gz KMTPGMAMWDYTDV-FXAWDEMLSA-N 0 3 370.424 3.135 20 30 FGEDHN COc1cc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)c(F)cc1C#N ZINC000599820479 506655965 /nfs/dbraw/zinc/65/59/65/506655965.db2.gz WBCAVUOKUGWSJV-INIZCTEOSA-N 0 3 370.428 3.000 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cncc2ccccc21 ZINC000603963211 506675183 /nfs/dbraw/zinc/67/51/83/506675183.db2.gz CWYWARBODMQTNR-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN C[C@@H](CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)N1CCCCC1 ZINC000593574712 506689801 /nfs/dbraw/zinc/68/98/01/506689801.db2.gz FVIFWYSUIJZKEN-INIZCTEOSA-N 0 3 363.527 3.031 20 30 FGEDHN C[C@@H]1Cc2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)ccc2O1 ZINC000596974645 506706081 /nfs/dbraw/zinc/70/60/81/506706081.db2.gz QBLRFJWOGWDMJY-MRXNPFEDSA-N 0 3 363.461 3.086 20 30 FGEDHN C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000593652643 506715975 /nfs/dbraw/zinc/71/59/75/506715975.db2.gz IUUSREPVVMAPLP-KURKYZTESA-N 0 3 374.492 3.084 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)Cc2ccc(C#N)nc2)N(CC)CC)cc1 ZINC000599969004 506731329 /nfs/dbraw/zinc/73/13/29/506731329.db2.gz QPSNSDMFPBLVBY-NRFANRHFSA-N 0 3 364.493 3.257 20 30 FGEDHN CN(C)C[C@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000593701109 506739565 /nfs/dbraw/zinc/73/95/65/506739565.db2.gz YSQLRLOZYLOSCD-SFHVURJKSA-N 0 3 355.869 3.216 20 30 FGEDHN CCCN1CCN(c2ccc(NC(=O)CC3(C#N)CC3)c(OCC)c2)CC1 ZINC000590337221 506798294 /nfs/dbraw/zinc/79/82/94/506798294.db2.gz BBDAUSMJFOELCX-UHFFFAOYSA-N 0 3 370.497 3.250 20 30 FGEDHN CC(C)(CCC#N)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000597202587 506832022 /nfs/dbraw/zinc/83/20/22/506832022.db2.gz GBHKBGZEPYFSGG-UHFFFAOYSA-N 0 3 362.481 3.400 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000593964068 506854194 /nfs/dbraw/zinc/85/41/94/506854194.db2.gz DGEYEHRRKUWWKV-INIZCTEOSA-N 0 3 351.450 3.316 20 30 FGEDHN N#Cc1ccc(C2(NC[C@H](O)COc3cccc4[nH]ccc43)CCC2)cc1 ZINC000594032545 506896389 /nfs/dbraw/zinc/89/63/89/506896389.db2.gz WWKHFQKYTPLTAM-SFHVURJKSA-N 0 3 361.445 3.448 20 30 FGEDHN N#Cc1ccc(NC(=O)NCc2ccc(OCCN3CCCC3)cc2)cc1 ZINC000609545227 506917303 /nfs/dbraw/zinc/91/73/03/506917303.db2.gz HJFZWTCJXORHDD-UHFFFAOYSA-N 0 3 364.449 3.355 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1C#N ZINC000594083519 506931883 /nfs/dbraw/zinc/93/18/83/506931883.db2.gz KDTXUFXMTLMNQO-MSOLQXFVSA-N 0 3 356.470 3.484 20 30 FGEDHN CC(C)CN(C(=O)c1cc2ccccc2n1CC#N)C1CCN(C)CC1 ZINC000609624058 506950853 /nfs/dbraw/zinc/95/08/53/506950853.db2.gz RZVWHCOFELJUAC-UHFFFAOYSA-N 0 3 352.482 3.357 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000613178515 506955699 /nfs/dbraw/zinc/95/56/99/506955699.db2.gz MARMVNCWJQIBTD-RIMHVDHWSA-N 0 3 368.525 3.265 20 30 FGEDHN C=C[C@@](C)(O)C(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 ZINC000613248326 506993722 /nfs/dbraw/zinc/99/37/22/506993722.db2.gz GAPKWDUBVQNMRC-TZIWHRDSSA-N 0 3 360.498 3.342 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000609833432 507017377 /nfs/dbraw/zinc/01/73/77/507017377.db2.gz JQUCAMPUDTWVMA-QGZVFWFLSA-N 0 3 367.449 3.334 20 30 FGEDHN COc1cc(CN(C)C(C)(C)CO)ccc1OCc1cccc(C#N)c1 ZINC000609895019 507041673 /nfs/dbraw/zinc/04/16/73/507041673.db2.gz ZJFDGSUEZBYZMI-UHFFFAOYSA-N 0 3 354.450 3.349 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCN(c2ccccc2)CC1 ZINC000613384220 507061383 /nfs/dbraw/zinc/06/13/83/507061383.db2.gz DZRHEDQFYSXORA-JOCHJYFZSA-N 0 3 366.505 3.367 20 30 FGEDHN C[C@H](Cc1cccc(F)c1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590971765 507068010 /nfs/dbraw/zinc/06/80/10/507068010.db2.gz LANHSWCSLCBWNP-OXQOHEQNSA-N 0 3 356.441 3.194 20 30 FGEDHN COc1ccc2ccccc2c1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600719911 507080679 /nfs/dbraw/zinc/08/06/79/507080679.db2.gz XJKNCJOEQAARLU-KRWDZBQOSA-N 0 3 354.450 3.009 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2ccc(Oc3ccccc3)nc2)CCOCC1 ZINC000600725149 507083751 /nfs/dbraw/zinc/08/37/51/507083751.db2.gz WUSWGIJQDNCWQH-GOSISDBHSA-N 0 3 367.449 3.035 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC34CCOCC4)sc2C1 ZINC000591032984 507086419 /nfs/dbraw/zinc/08/64/19/507086419.db2.gz KELQJIALRGZESG-AWEZNQCLSA-N 0 3 373.522 3.328 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNC[C@H](c1ccccc1)C(F)(F)F ZINC000600733134 507088759 /nfs/dbraw/zinc/08/87/59/507088759.db2.gz BSSWICXBYDCGKK-DLBZAZTESA-N 0 3 364.367 3.234 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000594409457 507120296 /nfs/dbraw/zinc/12/02/96/507120296.db2.gz WJBYWFFPMFXGPS-IBGZPJMESA-N 0 3 363.436 3.452 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000594426116 507128074 /nfs/dbraw/zinc/12/80/74/507128074.db2.gz CSOQSMIOLPCNOO-FQEVSTJZSA-N 0 3 351.450 3.293 20 30 FGEDHN CC(C)(c1nnc(NC(=O)[C@H](N)CCCCC#N)s1)c1ccccc1 ZINC000594433188 507130981 /nfs/dbraw/zinc/13/09/81/507130981.db2.gz CYHQWYYNCKXATG-CQSZACIVSA-N 0 3 357.483 3.214 20 30 FGEDHN COc1cccc(CNC(=O)[C@H](N)CCCCC#N)c1OC1CCCC1 ZINC000594434650 507131031 /nfs/dbraw/zinc/13/10/31/507131031.db2.gz QSIWKKGPJPPQBZ-QGZVFWFLSA-N 0 3 359.470 3.044 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000594437406 507132470 /nfs/dbraw/zinc/13/24/70/507132470.db2.gz BSAQEXJONFIBJJ-QGZVFWFLSA-N 0 3 356.401 3.149 20 30 FGEDHN CCCN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594440446 507133328 /nfs/dbraw/zinc/13/33/28/507133328.db2.gz CKFDBQXIBXNWHT-RTWAWAEBSA-N 0 3 370.541 3.301 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000594439326 507133672 /nfs/dbraw/zinc/13/36/72/507133672.db2.gz PZKBWQPDOVGXRE-GFCCVEGCSA-N 0 3 367.331 3.105 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccccc2Br)CCC1 ZINC000594451736 507141270 /nfs/dbraw/zinc/14/12/70/507141270.db2.gz CMQBCLMGMFUEOU-OAHLLOKOSA-N 0 3 364.287 3.356 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000594454148 507141346 /nfs/dbraw/zinc/14/13/46/507141346.db2.gz UJSFTUKTKCVJNQ-GOSISDBHSA-N 0 3 356.445 3.424 20 30 FGEDHN CCn1nc(C(=O)C(C#N)c2ccc3ccccc3n2)c(=O)c2ccccc21 ZINC000605362703 507159032 /nfs/dbraw/zinc/15/90/32/507159032.db2.gz PNKMQEULOGEQKF-INIZCTEOSA-N 0 3 368.396 3.455 20 30 FGEDHN C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000597914363 507171706 /nfs/dbraw/zinc/17/17/06/507171706.db2.gz UXWGQAXEKLUFLL-GHTZIAJQSA-N 0 3 353.510 3.482 20 30 FGEDHN C=CCN(CCc1ccccc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000605403083 507178423 /nfs/dbraw/zinc/17/84/23/507178423.db2.gz TXVMJZZTNAUUPG-UHFFFAOYSA-N 0 3 356.510 3.279 20 30 FGEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CNc1ccc(C#N)cc1 ZINC000610446379 507243940 /nfs/dbraw/zinc/24/39/40/507243940.db2.gz VSZHIACBPGASLZ-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3ncc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000610542450 507282919 /nfs/dbraw/zinc/28/29/19/507282919.db2.gz MUFNEXXAOMSBGD-GJZGRUSLSA-N 0 3 362.905 3.322 20 30 FGEDHN COc1ccc([C@H](Cc2ccccc2)NCCC(=O)N(C)CCC#N)cc1 ZINC000584498750 507379368 /nfs/dbraw/zinc/37/93/68/507379368.db2.gz DHRZYMVYYKTNOC-NRFANRHFSA-N 0 3 365.477 3.331 20 30 FGEDHN CO[C@@H](CN1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CCC1 ZINC000595299017 507452966 /nfs/dbraw/zinc/45/29/66/507452966.db2.gz VCIGDJBJJGVLNC-FQEVSTJZSA-N 0 3 350.466 3.044 20 30 FGEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CCN1CCc1ccc(C#N)cc1 ZINC000595357128 507469013 /nfs/dbraw/zinc/46/90/13/507469013.db2.gz LQICEHNLUPYHJH-LJQANCHMSA-N 0 3 358.489 3.221 20 30 FGEDHN N#Cc1ccc(CCN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000595360070 507470631 /nfs/dbraw/zinc/47/06/31/507470631.db2.gz XKHXGHQEKQPGNA-KRWDZBQOSA-N 0 3 368.868 3.500 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1cccc(OC)c1 ZINC000595440345 507497708 /nfs/dbraw/zinc/49/77/08/507497708.db2.gz ITFWHYDFQURDFN-YLJYHZDGSA-N 0 3 372.513 3.413 20 30 FGEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000592149782 507509293 /nfs/dbraw/zinc/50/92/93/507509293.db2.gz WJOXUKCONVEBSG-OAQYLSRUSA-N 0 3 365.433 3.158 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H]1C ZINC000611092296 507512609 /nfs/dbraw/zinc/51/26/09/507512609.db2.gz OBPSLYCRJDNNEN-LSDHHAIUSA-N 0 3 374.554 3.099 20 30 FGEDHN CC(=O)N1CCN(CCCOc2cccc(C#N)c2)CC12CCCCC2 ZINC000611225053 507568737 /nfs/dbraw/zinc/56/87/37/507568737.db2.gz OIOVSKOLINLCAY-UHFFFAOYSA-N 0 3 355.482 3.194 20 30 FGEDHN COCCc1ccc(OC[C@@H](O)CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000595632866 507604236 /nfs/dbraw/zinc/60/42/36/507604236.db2.gz IKBJRVXSRPYHIE-FQEVSTJZSA-N 0 3 368.477 3.012 20 30 FGEDHN Cc1ccncc1[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000611301582 507611419 /nfs/dbraw/zinc/61/14/19/507611419.db2.gz FSMBVCAQYMACSP-QGZVFWFLSA-N 0 3 365.481 3.096 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCCC[C@H]2CCO)c1 ZINC000585754364 507617049 /nfs/dbraw/zinc/61/70/49/507617049.db2.gz KCSYGWLTTGDCFW-IBGZPJMESA-N 0 3 357.498 3.177 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000595661708 507618203 /nfs/dbraw/zinc/61/82/03/507618203.db2.gz KJAVFFFAWKHBNO-CEXWTWQISA-N 0 3 354.498 3.341 20 30 FGEDHN Cc1cc(NS(=O)(=O)Cc2ccc(CC#N)cc2)ccc1CN(C)C ZINC000592383795 507629855 /nfs/dbraw/zinc/62/98/55/507629855.db2.gz GGGKXGKAVCIFDN-UHFFFAOYSA-N 0 3 357.479 3.065 20 30 FGEDHN CS(=O)(=O)Cc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392401 507658298 /nfs/dbraw/zinc/65/82/98/507658298.db2.gz QGANNHQGCXBJML-HXUWFJFHSA-N 0 3 354.475 3.270 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCNc1nccc(C(F)(F)F)n1 ZINC000611393636 507659270 /nfs/dbraw/zinc/65/92/70/507659270.db2.gz YIDHDRJIQLHUEJ-OAHLLOKOSA-N 0 3 361.371 3.446 20 30 FGEDHN COc1ccccc1N1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611394613 507660995 /nfs/dbraw/zinc/66/09/95/507660995.db2.gz SWZPTALKPXUCLB-MOPGFXCFSA-N 0 3 361.445 3.339 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747858 507663459 /nfs/dbraw/zinc/66/34/59/507663459.db2.gz MYMNHLBQKQYJTF-VQTJNVASSA-N 0 3 366.461 3.044 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000607241136 507667755 /nfs/dbraw/zinc/66/77/55/507667755.db2.gz RCLRPIJSWZTJBF-GUDVDZBRSA-N 0 3 363.546 3.262 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000586791216 507672526 /nfs/dbraw/zinc/67/25/26/507672526.db2.gz QAYVNFZZVHLOMX-NRFANRHFSA-N 0 3 366.509 3.050 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000586806717 507679291 /nfs/dbraw/zinc/67/92/91/507679291.db2.gz GRMMYIXMCDBXOB-PKOBYXMFSA-N 0 3 361.436 3.296 20 30 FGEDHN CC1(C(=O)NCCN2CCCC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586867012 507697280 /nfs/dbraw/zinc/69/72/80/507697280.db2.gz MXHHBOALTFPQDE-UHFFFAOYSA-N 0 3 374.916 3.030 20 30 FGEDHN N#Cc1cc(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000611488202 507704501 /nfs/dbraw/zinc/70/45/01/507704501.db2.gz AHBICZXXJSORGX-QGZVFWFLSA-N 0 3 350.470 3.499 20 30 FGEDHN N#Cc1cc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccn1 ZINC000611488202 507704504 /nfs/dbraw/zinc/70/45/04/507704504.db2.gz AHBICZXXJSORGX-QGZVFWFLSA-N 0 3 350.470 3.499 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)Nc1ccccc1CN1CCC(O)CC1 ZINC000602488600 507724094 /nfs/dbraw/zinc/72/40/94/507724094.db2.gz WLPLBEXAHCOXKT-KRWDZBQOSA-N 0 3 357.498 3.154 20 30 FGEDHN N#Cc1cccc(CNC[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000602525485 507736475 /nfs/dbraw/zinc/73/64/75/507736475.db2.gz IDLXNQNDELIRFL-AWEZNQCLSA-N 0 3 371.282 3.332 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907631 507737349 /nfs/dbraw/zinc/73/73/49/507737349.db2.gz BZQOFWNXGXTGRU-QIJUGHKUSA-N 0 3 367.493 3.214 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000602534220 507740038 /nfs/dbraw/zinc/74/00/38/507740038.db2.gz HNMNPWMMKQYDRP-MRXNPFEDSA-N 0 3 357.255 3.084 20 30 FGEDHN COC1(c2noc(CC3CCN([C@@H]4CC[C@H](C#N)C4)CC3)n2)CCCC1 ZINC000595914120 507741094 /nfs/dbraw/zinc/74/10/94/507741094.db2.gz AZFTUSIDSDJJHV-DLBZAZTESA-N 0 3 358.486 3.432 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000602548064 507746596 /nfs/dbraw/zinc/74/65/96/507746596.db2.gz WIXLMUZJXGPVMW-CQSZACIVSA-N 0 3 362.271 3.239 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)c2ccc(OC)c(F)c2)CC1 ZINC000636742610 568006470 /nfs/dbraw/zinc/00/64/70/568006470.db2.gz WQKSNLSXZCHNPQ-UHFFFAOYSA-N 0 3 363.477 3.409 20 30 FGEDHN CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736557857 598813362 /nfs/dbraw/zinc/81/33/62/598813362.db2.gz CKGDJKZZSNTSOQ-OAHLLOKOSA-N 0 3 362.437 3.352 20 30 FGEDHN CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736557857 598813364 /nfs/dbraw/zinc/81/33/64/598813364.db2.gz CKGDJKZZSNTSOQ-OAHLLOKOSA-N 0 3 362.437 3.352 20 30 FGEDHN CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557857 598813366 /nfs/dbraw/zinc/81/33/66/598813366.db2.gz CKGDJKZZSNTSOQ-OAHLLOKOSA-N 0 3 362.437 3.352 20 30 FGEDHN CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557857 598813368 /nfs/dbraw/zinc/81/33/68/598813368.db2.gz CKGDJKZZSNTSOQ-OAHLLOKOSA-N 0 3 362.437 3.352 20 30 FGEDHN C=CCCC[C@H](C)[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823894555 608384164 /nfs/dbraw/zinc/38/41/64/608384164.db2.gz SWZVIOJYRUTAAC-KRWDZBQOSA-N 0 3 354.502 3.119 20 30 FGEDHN C=CCCC[C@H](C)[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823894555 608384166 /nfs/dbraw/zinc/38/41/66/608384166.db2.gz SWZVIOJYRUTAAC-KRWDZBQOSA-N 0 3 354.502 3.119 20 30 FGEDHN C=CCCC[C@H](C)[N@@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823894555 608384167 /nfs/dbraw/zinc/38/41/67/608384167.db2.gz SWZVIOJYRUTAAC-KRWDZBQOSA-N 0 3 354.502 3.119 20 30 FGEDHN C=CCCC[C@H](C)[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823894555 608384169 /nfs/dbraw/zinc/38/41/69/608384169.db2.gz SWZVIOJYRUTAAC-KRWDZBQOSA-N 0 3 354.502 3.119 20 30 FGEDHN C=C(C)CN1CCC([NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000106245188 700507550 /nfs/dbraw/zinc/50/75/50/700507550.db2.gz ZDNVZODGTABIAG-UHFFFAOYSA-N 0 3 369.303 3.293 20 30 FGEDHN N#CC(C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)NC1CC1 ZINC000121326781 700670079 /nfs/dbraw/zinc/67/00/79/700670079.db2.gz XCZJSPBVQWGNOX-LBPRGKRZSA-N 0 3 357.262 3.214 20 30 FGEDHN N#CC(C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000124666213 700722963 /nfs/dbraw/zinc/72/29/63/700722963.db2.gz RFRJGOFLPGUWDR-ZDUSSCGKSA-N 0 3 369.248 3.484 20 30 FGEDHN C[C@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126715526 700752000 /nfs/dbraw/zinc/75/20/00/700752000.db2.gz DSSVZLIJWKVVQG-GUYCJALGSA-N 0 3 356.809 3.133 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSc2ccccc2C)cc1 ZINC000131651616 700818163 /nfs/dbraw/zinc/81/81/63/700818163.db2.gz TYHJMYBGVAJDGP-MRXNPFEDSA-N 0 3 354.431 3.443 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2CC[C@@H](C)O2)cc1Cl ZINC000173979949 705481028 /nfs/dbraw/zinc/48/10/28/705481028.db2.gz HYZUQUGQOJZLNA-MRVWCRGKSA-N 0 3 364.829 3.344 20 30 FGEDHN CCO[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193405658 712890169 /nfs/dbraw/zinc/89/01/69/712890169.db2.gz PKDCXZHPGZLMOP-YNEHKIRRSA-N 0 3 354.378 3.074 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000255329004 713691623 /nfs/dbraw/zinc/69/16/23/713691623.db2.gz UFGHMWATSYZDOX-ZHZULCJRSA-N 0 3 360.479 3.261 20 30 FGEDHN C[NH+](C)CCn1c(=O)oc2ccc(N=Cc3cc(Cl)ccc3[O-])cc21 ZINC000255692197 713704583 /nfs/dbraw/zinc/70/45/83/713704583.db2.gz HTMWREBSRVMJCG-UHFFFAOYSA-N 0 3 359.813 3.266 20 30 FGEDHN CN(CCNC(=O)NCc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000619756649 714867311 /nfs/dbraw/zinc/86/73/11/714867311.db2.gz KRVWQYCBLNYPBV-UHFFFAOYSA-N 0 3 356.857 3.143 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(CCSCC3)CC2)CC1 ZINC000632986674 716853848 /nfs/dbraw/zinc/85/38/48/716853848.db2.gz GLHYFAJAYDSBSZ-UHFFFAOYSA-N 0 3 351.560 3.346 20 30 FGEDHN N#Cc1cc(Cl)cc(Br)c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804396171 724511828 /nfs/dbraw/zinc/51/18/28/724511828.db2.gz CWPLAAUUHMXSLJ-OLZOCXBDSA-N 0 3 370.678 3.249 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000804442340 724517899 /nfs/dbraw/zinc/51/78/99/724517899.db2.gz AQCRUFVTLFADSP-UHFFFAOYSA-N 0 3 352.400 3.391 20 30 FGEDHN N#CC(C(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccncn1 ZINC000659115049 719860041 /nfs/dbraw/zinc/86/00/41/719860041.db2.gz OCIFBRQPNLOOHO-HNNXBMFYSA-N 0 3 371.238 3.329 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1 ZINC000660598013 720080130 /nfs/dbraw/zinc/08/01/30/720080130.db2.gz VXYKIAPRMHTZLG-UHFFFAOYSA-N 0 3 355.404 3.257 20 30 FGEDHN C=CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H](C)COC ZINC000663450824 720516309 /nfs/dbraw/zinc/51/63/09/720516309.db2.gz MCTDJAMYKCHXLX-JKSUJKDBSA-N 0 3 351.516 3.118 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000668369859 721282555 /nfs/dbraw/zinc/28/25/55/721282555.db2.gz HDPDLGFMARZLBY-UHFFFAOYSA-N 0 3 371.706 3.412 20 30 FGEDHN C=CCOc1c(Br)cc(CNC2([C@H](C)O)CC2)cc1OC ZINC000668696558 721334145 /nfs/dbraw/zinc/33/41/45/721334145.db2.gz RHBTXEYLXUGIHC-NSHDSACASA-N 0 3 356.260 3.026 20 30 FGEDHN N#Cc1cnc(Cl)cc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900531 721514059 /nfs/dbraw/zinc/51/40/59/721514059.db2.gz RWOZQSIGTMQWOA-DOTOQJQBSA-N 0 3 372.831 3.088 20 30 FGEDHN N#Cc1csc(CN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 ZINC000710034595 722413456 /nfs/dbraw/zinc/41/34/56/722413456.db2.gz IPDDCIBXMRGLJR-CYBMUJFWSA-N 0 3 365.380 3.230 20 30 FGEDHN CN(CCC1CCOCC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000757841665 722980315 /nfs/dbraw/zinc/98/03/15/722980315.db2.gz UIAYDGRWTPFTSK-OAHLLOKOSA-N 0 3 357.479 3.221 20 30 FGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)nc1Cl ZINC000766841121 723595208 /nfs/dbraw/zinc/59/52/08/723595208.db2.gz RVTCJHISCFZZOR-SECBINFHSA-N 0 3 364.188 3.358 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@@H]1CCCOC1 ZINC000796633424 723647621 /nfs/dbraw/zinc/64/76/21/723647621.db2.gz OJTYRWCKRRBJQX-STQMWFEESA-N 0 3 364.829 3.121 20 30 FGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2csc(C)c2)cc1 ZINC000796792172 723655143 /nfs/dbraw/zinc/65/51/43/723655143.db2.gz JFERFSWBINUNSM-HNNXBMFYSA-N 0 3 356.403 3.194 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000772916764 723771635 /nfs/dbraw/zinc/77/16/35/723771635.db2.gz AUHVONGYCCGNBM-MRXNPFEDSA-N 0 3 354.303 3.419 20 30 FGEDHN C[C@H](NC(=O)c1cccs1)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797572112 723836444 /nfs/dbraw/zinc/83/64/44/723836444.db2.gz YWPSNIMJBRXDJL-QWRGUYRKSA-N 0 3 361.492 3.497 20 30 FGEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000775573192 724001874 /nfs/dbraw/zinc/00/18/74/724001874.db2.gz XFKHUKDSVKCYGT-UHOFOFEASA-N 0 3 354.372 3.193 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000801574892 724315850 /nfs/dbraw/zinc/31/58/50/724315850.db2.gz DOUCPQRALOCWDJ-MRXNPFEDSA-N 0 3 355.825 3.134 20 30 FGEDHN N#CC(C(=O)CCCc1ccsc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571363 724989366 /nfs/dbraw/zinc/98/93/66/724989366.db2.gz WQBBZYNCGHEDQN-AWEZNQCLSA-N 0 3 362.401 3.374 20 30 FGEDHN C[C@@H]1CN(CCCCNc2cc(Br)cnc2C#N)C[C@@H](C)O1 ZINC000787898221 725040360 /nfs/dbraw/zinc/04/03/60/725040360.db2.gz AYLVYPSQPVERRP-CHWSQXEVSA-N 0 3 367.291 3.017 20 30 FGEDHN C[C@H](OC[C@H]1CCCCO1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211380 726851321 /nfs/dbraw/zinc/85/13/21/726851321.db2.gz JEYZOHIQJVVMMI-YUTCNCBUSA-N 0 3 356.344 3.251 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cccnc1SCC1CCCCC1 ZINC000818609068 727316866 /nfs/dbraw/zinc/31/68/66/727316866.db2.gz JGDRYLLBVLBMNY-UHFFFAOYSA-N 0 3 359.539 3.439 20 30 FGEDHN C#CCN(C)CCCNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000818612236 727316873 /nfs/dbraw/zinc/31/68/73/727316873.db2.gz PFESUVXGKUNIRH-UHFFFAOYSA-N 0 3 354.416 3.345 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@H]1CC1(Cl)Cl ZINC000822475482 729179359 /nfs/dbraw/zinc/17/93/59/729179359.db2.gz GMLQVTJBPVJOPD-INIZCTEOSA-N 0 3 368.308 3.422 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000825325531 729378861 /nfs/dbraw/zinc/37/88/61/729378861.db2.gz DRAYEEMAZUCMBO-RDTXWAMCSA-N 0 3 359.857 3.095 20 30 FGEDHN C#CC[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000827115188 729424655 /nfs/dbraw/zinc/42/46/55/729424655.db2.gz YGGKIRVTPXOVHC-LPHOPBHVSA-N 0 3 359.539 3.456 20 30 FGEDHN C#CCCN(CCOC)CC1=Cc2cc(Br)ccc2OC1 ZINC000827822658 729435530 /nfs/dbraw/zinc/43/55/30/729435530.db2.gz BALOUNZDVKCNQL-UHFFFAOYSA-N 0 3 350.256 3.197 20 30 FGEDHN C[C@@](CO)(NC[C@@H](O)c1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000832304136 729704231 /nfs/dbraw/zinc/70/42/31/729704231.db2.gz ZDOMKJKHUJZPKW-MSOLQXFVSA-N 0 3 365.260 3.396 20 30 FGEDHN COC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000832745068 729729593 /nfs/dbraw/zinc/72/95/93/729729593.db2.gz IJMCGMZGALMYEY-GJZGRUSLSA-N 0 3 357.479 3.221 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)C1(O)CCOCC1 ZINC000841890335 730283153 /nfs/dbraw/zinc/28/31/53/730283153.db2.gz NYEMOHXMDDLLON-UHFFFAOYSA-N 0 3 351.874 3.009 20 30 FGEDHN CC(=O)N1c2ccccc2C[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942890 730560965 /nfs/dbraw/zinc/56/09/65/730560965.db2.gz REUNDJPXMYDNAQ-YOEHRIQHSA-N 0 3 351.431 3.175 20 30 FGEDHN C[C@@]1(NC(=O)c2ccc(C#N)c(Cl)n2)CCN(Cc2ccccc2)C1 ZINC000844966447 730796662 /nfs/dbraw/zinc/79/66/62/730796662.db2.gz YCTVBOXCYVIMTI-LJQANCHMSA-N 0 3 354.841 3.001 20 30 FGEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000845593420 730869510 /nfs/dbraw/zinc/86/95/10/730869510.db2.gz INCOPVGMYQYOFB-UHFFFAOYSA-N 0 3 359.392 3.286 20 30 FGEDHN COc1cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000854387241 731822924 /nfs/dbraw/zinc/82/29/24/731822924.db2.gz WJQGWZFUXOCGBX-QGZVFWFLSA-N 0 3 357.841 3.253 20 30 FGEDHN C#CC[C@@H](COC)NCc1cn(-c2ccc(Br)cc2)nc1C ZINC000858335094 732204709 /nfs/dbraw/zinc/20/47/09/732204709.db2.gz MKOWEYWUNZPEML-INIZCTEOSA-N 0 3 362.271 3.071 20 30 FGEDHN CC(C)[C@H](NC=O)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000860507628 732525553 /nfs/dbraw/zinc/52/55/53/732525553.db2.gz 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001028860839 766140364 /nfs/dbraw/zinc/14/03/64/766140364.db2.gz FYCPVZYCEWXCCG-WDSOQIARSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2ccc(Cl)s2)C1 ZINC001029846059 766155935 /nfs/dbraw/zinc/15/59/35/766155935.db2.gz XRRUPGOYUMCBEA-IMJJTQAJSA-N 0 3 368.930 3.273 20 30 FGEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001032718189 766202252 /nfs/dbraw/zinc/20/22/52/766202252.db2.gz MYMURLJGFWYWMI-ZQDZILKHSA-N 0 3 350.384 3.069 20 30 FGEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001033089372 766204496 /nfs/dbraw/zinc/20/44/96/766204496.db2.gz BPGYRPCKWVDKDK-JWRYVHENSA-N 0 3 356.432 3.157 20 30 FGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC001041410553 766331798 /nfs/dbraw/zinc/33/17/98/766331798.db2.gz YARHFGKDVSOGBJ-RYRKJORJSA-N 0 3 356.432 3.303 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1c(C)cccc1Cl ZINC001045209199 766516945 /nfs/dbraw/zinc/51/69/45/766516945.db2.gz STYWGYOYRNADFC-FCEWJHQRSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001046751762 766608093 /nfs/dbraw/zinc/60/80/93/766608093.db2.gz OZYZRSVMYRXGBE-KSMMKXTCSA-N 0 3 352.400 3.364 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1csc(C)c1 ZINC001049732745 766804812 /nfs/dbraw/zinc/80/48/12/766804812.db2.gz QRWOKMOSHFYVJD-XWSJACJDSA-N 0 3 360.523 3.213 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2Cl)CC1 ZINC001052721340 766915802 /nfs/dbraw/zinc/91/58/02/766915802.db2.gz CUUZCXURYZFFCW-SCTDSRPQSA-N 0 3 362.901 3.402 20 30 FGEDHN CN(C)C[C@H](NC(=O)Cc1ccccc1CC#N)c1ccc(Cl)cc1 ZINC000802381748 724380562 /nfs/dbraw/zinc/38/05/62/724380562.db2.gz POHLHVYEMKZVBN-IBGZPJMESA-N 0 3 355.869 3.368 20 30 FGEDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599260576 506388833 /nfs/dbraw/zinc/38/88/33/506388833.db2.gz BSPYFEDJVQDCSI-AWEZNQCLSA-N 0 3 357.281 3.497 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H](c2ccccc2)C2CC2)c1 ZINC000568078578 505611279 /nfs/dbraw/zinc/61/12/79/505611279.db2.gz XFFMHGWUJNOILJ-FQEVSTJZSA-N 0 3 354.475 3.115 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(c3ccccc3)CCC2)c1 ZINC000571198585 505677558 /nfs/dbraw/zinc/67/75/58/505677558.db2.gz QKVCMZLCPWUYMO-UHFFFAOYSA-N 0 3 354.475 3.043 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)[C@@H]1Oc1ccccc1 ZINC000571210404 505680535 /nfs/dbraw/zinc/68/05/35/505680535.db2.gz DXVYHHDTSIFOOO-TYPHKJRUSA-N 0 3 352.434 3.281 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000075862385 493787432 /nfs/dbraw/zinc/78/74/32/493787432.db2.gz DJWJGIQYSIDPDO-MRXNPFEDSA-N 0 3 353.388 3.181 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(CCN2CCSCC2)cc1 ZINC000057932970 493816515 /nfs/dbraw/zinc/81/65/15/493816515.db2.gz IRQQIHNVAPDNSA-SFHVURJKSA-N 0 3 373.566 3.279 20 30 FGEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1OCC(=O)N(C)C ZINC000048750810 493844144 /nfs/dbraw/zinc/84/41/44/493844144.db2.gz KTBKYQCPUCWLPO-LJQANCHMSA-N 0 3 351.450 3.266 20 30 FGEDHN N#CC(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813526 493847671 /nfs/dbraw/zinc/84/76/71/493847671.db2.gz KTLXNPPTVQNOAV-OAHLLOKOSA-N 0 3 372.344 3.147 20 30 FGEDHN CC(C)C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)N(C)C ZINC000076484167 493902441 /nfs/dbraw/zinc/90/24/41/493902441.db2.gz GJTSZJPBGCEBSQ-QGZVFWFLSA-N 0 3 369.465 3.436 20 30 FGEDHN COc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000068991510 493903345 /nfs/dbraw/zinc/90/33/45/493903345.db2.gz GGOYMCKPPLSTMD-INIZCTEOSA-N 0 3 355.413 3.170 20 30 FGEDHN COc1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1 ZINC000068991127 493903553 /nfs/dbraw/zinc/90/35/53/493903553.db2.gz QJYGNGKXKUVUOU-QGZVFWFLSA-N 0 3 369.440 3.473 20 30 FGEDHN CN(C)CCN(C(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000060212209 493918288 /nfs/dbraw/zinc/91/82/88/493918288.db2.gz FKZUBIUAQOGMSX-UHFFFAOYSA-N 0 3 353.491 3.386 20 30 FGEDHN CCN(C[C@H]1CCN(CCOc2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000081582335 493923112 /nfs/dbraw/zinc/92/31/12/493923112.db2.gz QPJNUANQYLNJSF-MRXNPFEDSA-N 0 3 355.404 3.143 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000051405558 493967711 /nfs/dbraw/zinc/96/77/11/493967711.db2.gz OERUTGNOFPVKHO-PMACEKPBSA-N 0 3 354.425 3.144 20 30 FGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000076812285 493975273 /nfs/dbraw/zinc/97/52/73/493975273.db2.gz JUQZWXDCXIHTNF-ZTNFWEORSA-N 0 3 354.425 3.315 20 30 FGEDHN N#Cc1ccc(CN2CCN(CCCOCCc3ccccc3)CC2)cc1 ZINC000051591765 493977782 /nfs/dbraw/zinc/97/77/82/493977782.db2.gz MEDMUEQLNUIQLS-UHFFFAOYSA-N 0 3 363.505 3.325 20 30 FGEDHN N#CC(C(=O)c1cccc(NC(N)=O)c1)c1nc2ccccc2n1C(F)F ZINC000051655563 493981375 /nfs/dbraw/zinc/98/13/75/493981375.db2.gz BCDALJKZJALDKA-GFCCVEGCSA-N 0 3 369.331 3.412 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(CC(C)C)C1CC1 ZINC000051735215 493984492 /nfs/dbraw/zinc/98/44/92/493984492.db2.gz UOAYSRPLLJJRTN-UHFFFAOYSA-N 0 3 360.502 3.072 20 30 FGEDHN C=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000063300582 494042093 /nfs/dbraw/zinc/04/20/93/494042093.db2.gz QHPWUCWXYPMFBE-UHFFFAOYSA-N 0 3 363.417 3.304 20 30 FGEDHN C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N1CCCC1 ZINC000052641568 494049309 /nfs/dbraw/zinc/04/93/09/494049309.db2.gz VUAVWNKDHVCVLQ-KRWDZBQOSA-N 0 3 363.461 3.351 20 30 FGEDHN C=CCn1c(-c2scnc2C)nnc1N1CCN(C2CCCCC2)CC1 ZINC000571283586 505698325 /nfs/dbraw/zinc/69/83/25/505698325.db2.gz SVINMESAGSDLRF-UHFFFAOYSA-N 0 3 372.542 3.351 20 30 FGEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000077418007 494079712 /nfs/dbraw/zinc/07/97/12/494079712.db2.gz YHDYSERYAABVHV-CQSZACIVSA-N 0 3 350.422 3.390 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000063750793 494083300 /nfs/dbraw/zinc/08/33/00/494083300.db2.gz VRGYFTIYXUVCKN-LJQANCHMSA-N 0 3 369.421 3.117 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000053098290 494093602 /nfs/dbraw/zinc/09/36/02/494093602.db2.gz YCRBJGBEGOAIDW-NRFANRHFSA-N 0 3 360.461 3.216 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCC)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000077823056 494186406 /nfs/dbraw/zinc/18/64/06/494186406.db2.gz RCLRPIJSWZTJBF-OTWHNJEPSA-N 0 3 363.546 3.262 20 30 FGEDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931165 494257063 /nfs/dbraw/zinc/25/70/63/494257063.db2.gz DWOFUMVIXRPKDW-UHFFFAOYSA-N 0 3 351.450 3.161 20 30 FGEDHN CC(C)CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000078339798 494282815 /nfs/dbraw/zinc/28/28/15/494282815.db2.gz RROPPFDUPUSLGW-UHFFFAOYSA-N 0 3 352.400 3.294 20 30 FGEDHN CCCNC(=O)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000055174966 494310462 /nfs/dbraw/zinc/31/04/62/494310462.db2.gz GUGYQXBUSSBLRI-UHFFFAOYSA-N 0 3 351.450 3.143 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000089816524 494372276 /nfs/dbraw/zinc/37/22/76/494372276.db2.gz UAYBXIDUCWHDID-QGZVFWFLSA-N 0 3 365.477 3.377 20 30 FGEDHN N#Cc1ccc(OC2CCN(CCC(=O)NCC3CCCCC3)CC2)cc1 ZINC000066874379 494429635 /nfs/dbraw/zinc/42/96/35/494429635.db2.gz VLDWOLBFVYXLOS-UHFFFAOYSA-N 0 3 369.509 3.488 20 30 FGEDHN CNC(=O)[C@H](CC(C)C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905631 494436360 /nfs/dbraw/zinc/43/63/60/494436360.db2.gz GZXWAXYNPDXOTJ-NRFANRHFSA-N 0 3 365.477 3.388 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000074132453 494485814 /nfs/dbraw/zinc/48/58/14/494485814.db2.gz TYMJINYOYWZDNO-LYBXBRPPSA-N 0 3 363.546 3.406 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC000074132542 494485838 /nfs/dbraw/zinc/48/58/38/494485838.db2.gz RFAZLJUZRUOOCY-CQSZACIVSA-N 0 3 361.490 3.128 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Nc3ccccc3F)CC2)CC1 ZINC000074132547 494485936 /nfs/dbraw/zinc/48/59/36/494485936.db2.gz VUBIKCWNLHIOEN-UHFFFAOYSA-N 0 3 360.477 3.062 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)CC1 ZINC000074132465 494486026 /nfs/dbraw/zinc/48/60/26/494486026.db2.gz DUAXXUHJWQSJHB-XLIONFOSSA-N 0 3 357.498 3.117 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)CC1 ZINC000091195407 494554514 /nfs/dbraw/zinc/55/45/14/494554514.db2.gz CRYFJINRASRQEX-UHFFFAOYSA-N 0 3 370.497 3.148 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000080070498 494584922 /nfs/dbraw/zinc/58/49/22/494584922.db2.gz GTPKLPQZUZYDPW-UTKZUKDTSA-N 0 3 362.477 3.411 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H](C)C(C)C ZINC000067661249 494602626 /nfs/dbraw/zinc/60/26/26/494602626.db2.gz FDNNJGDGNQUMLK-INIZCTEOSA-N 0 3 362.518 3.318 20 30 FGEDHN COc1ccccc1COC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000092424227 494622719 /nfs/dbraw/zinc/62/27/19/494622719.db2.gz LHCDKZSMGLGJDW-OAQYLSRUSA-N 0 3 366.461 3.281 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484814 494642454 /nfs/dbraw/zinc/64/24/54/494642454.db2.gz GMJJYDUECXOWMW-HNNXBMFYSA-N 0 3 369.490 3.433 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000091815180 494689189 /nfs/dbraw/zinc/68/91/89/494689189.db2.gz HEHLIEFHQSITMN-MRXNPFEDSA-N 0 3 356.363 3.281 20 30 FGEDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000092734356 494730976 /nfs/dbraw/zinc/73/09/76/494730976.db2.gz BRRIVPCJUDYIDP-SFHVURJKSA-N 0 3 373.497 3.116 20 30 FGEDHN CCC[C@@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000091968171 494737674 /nfs/dbraw/zinc/73/76/74/494737674.db2.gz GLIPKCLCIXCMNU-DOTOQJQBSA-N 0 3 353.388 3.249 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000092801243 494753547 /nfs/dbraw/zinc/75/35/47/494753547.db2.gz ISVDAXZMPHUTFS-CQSZACIVSA-N 0 3 370.280 3.209 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](Cn3ccnn3)C2)ccc1OC ZINC000092070945 494777710 /nfs/dbraw/zinc/77/77/10/494777710.db2.gz YMIIYQPMYSAFFC-GOSISDBHSA-N 0 3 356.470 3.154 20 30 FGEDHN COC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000131935901 494778257 /nfs/dbraw/zinc/77/82/57/494778257.db2.gz SSYRGEAIUCPOCA-NSHDSACASA-N 0 3 365.311 3.322 20 30 FGEDHN C=C(C)COc1cc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)ccc1OC ZINC000092106120 494794231 /nfs/dbraw/zinc/79/42/31/494794231.db2.gz ODIRYKIJYHEIHH-QZTJIDSGSA-N 0 3 358.482 3.141 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000126871806 494853518 /nfs/dbraw/zinc/85/35/18/494853518.db2.gz ZFFSZYKIJUAMID-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116807174 494856347 /nfs/dbraw/zinc/85/63/47/494856347.db2.gz QQFBETYEYFJENO-KNQAVFIVSA-N 0 3 368.525 3.177 20 30 FGEDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1cccc(OCCCC#N)c1)CC2 ZINC000093613558 494905605 /nfs/dbraw/zinc/90/56/05/494905605.db2.gz CUDYCHPWISAECJ-PMACEKPBSA-N 0 3 358.482 3.121 20 30 FGEDHN C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)CCN1Cc1ccccc1 ZINC000093811125 494923887 /nfs/dbraw/zinc/92/38/87/494923887.db2.gz VBMIWKSZXXCSHI-SFHVURJKSA-N 0 3 359.477 3.302 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000127393393 494938535 /nfs/dbraw/zinc/93/85/35/494938535.db2.gz ALLWSLTYELCKHO-HXUWFJFHSA-N 0 3 367.424 3.081 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1cccc(C)c1C#N ZINC000132956923 494948263 /nfs/dbraw/zinc/94/82/63/494948263.db2.gz NSZYSBFZOIJEBU-UHFFFAOYSA-N 0 3 371.506 3.139 20 30 FGEDHN Cc1cc(C)cc(OC[C@H](O)CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000568690139 505753169 /nfs/dbraw/zinc/75/31/69/505753169.db2.gz GDVLZASFRSUASX-OAQYLSRUSA-N 0 3 368.477 3.063 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CSc2ccccc21 ZINC000118228405 494984517 /nfs/dbraw/zinc/98/45/17/494984517.db2.gz DIWKHQDBPFIVNW-LJQANCHMSA-N 0 3 365.502 3.338 20 30 FGEDHN N#CCOc1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000110610708 494994410 /nfs/dbraw/zinc/99/44/10/494994410.db2.gz PLGPWJMRQJDJAH-OAQYLSRUSA-N 0 3 363.461 3.085 20 30 FGEDHN CCN1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000110815615 495011887 /nfs/dbraw/zinc/01/18/87/495011887.db2.gz NEDDORLEMNWUJS-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN C[C@@H](CCNCc1cccc(OCc2ccccc2C#N)c1)[S@@](C)=O ZINC000133481697 495018966 /nfs/dbraw/zinc/01/89/66/495018966.db2.gz SNLKVASJYAEWCS-LMKMVOKYSA-N 0 3 356.491 3.384 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000577602162 505762109 /nfs/dbraw/zinc/76/21/09/505762109.db2.gz YSIOOGXXUVMYDE-RBUKOAKNSA-N 0 3 367.497 3.231 20 30 FGEDHN O=C(c1ccccc1)C(C(=S)[N-]C[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134216456 495122235 /nfs/dbraw/zinc/12/22/35/495122235.db2.gz NGAGUUKZUVPFNS-QGZVFWFLSA-O 0 3 355.483 3.072 20 30 FGEDHN Cc1cc(NC(=O)C2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)no1 ZINC000123391065 495125158 /nfs/dbraw/zinc/12/51/58/495125158.db2.gz DSSUAYMROBPTEO-HNNXBMFYSA-N 0 3 368.437 3.125 20 30 FGEDHN CNC(=O)c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113320186 495297129 /nfs/dbraw/zinc/29/71/29/495297129.db2.gz OLAGFWPLWUCUOQ-UHFFFAOYSA-N 0 3 373.460 3.113 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(F)ccc1F ZINC000105285834 495352548 /nfs/dbraw/zinc/35/25/48/495352548.db2.gz CWMNSRCHVGAYMY-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN CC(C)C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)N(C)C ZINC000114377570 495368204 /nfs/dbraw/zinc/36/82/04/495368204.db2.gz WFGGLWSWGCGHQR-GOSISDBHSA-N 0 3 369.465 3.436 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1-c1nnc(C)o1)C(C)C ZINC000130319407 495372944 /nfs/dbraw/zinc/37/29/44/495372944.db2.gz IFDMEDGTFUDHJZ-LJQANCHMSA-N 0 3 368.481 3.473 20 30 FGEDHN CC(C)(CCC#N)CN1CCN(c2ccc(Br)cn2)CC1 ZINC000130380465 495383122 /nfs/dbraw/zinc/38/31/22/495383122.db2.gz YWFMQJGHNRJOKY-UHFFFAOYSA-N 0 3 351.292 3.296 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114644404 495403896 /nfs/dbraw/zinc/40/38/96/495403896.db2.gz INIQPSCANLYYIV-YLJYHZDGSA-N 0 3 363.461 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000106036059 495405784 /nfs/dbraw/zinc/40/57/84/495405784.db2.gz HEXHDCIHGYJQJV-RHSMWYFYSA-N 0 3 373.472 3.191 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)nc3onc(C)c32)CC1 ZINC000106037609 495405927 /nfs/dbraw/zinc/40/59/27/495405927.db2.gz JFAZIXNLEIHUPZ-UHFFFAOYSA-N 0 3 354.454 3.179 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCOc2ccc(F)cc2Cl)CC1 ZINC000106036034 495405957 /nfs/dbraw/zinc/40/59/57/495405957.db2.gz KFZYMPIVVUPROM-UHFFFAOYSA-N 0 3 354.853 3.405 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000106037994 495406304 /nfs/dbraw/zinc/40/63/04/495406304.db2.gz NOIRJXYKXWPHFU-UHFFFAOYSA-N 0 3 372.900 3.355 20 30 FGEDHN Cc1nccn1CCCN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000130632044 495422257 /nfs/dbraw/zinc/42/22/57/495422257.db2.gz ZUXOCAPGMWEKBO-UHFFFAOYSA-N 0 3 367.497 3.077 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3csc([N+](=O)[O-])c3)CC2)nc1 ZINC000125403735 495439238 /nfs/dbraw/zinc/43/92/38/495439238.db2.gz HQAVRBWBINUERO-UHFFFAOYSA-N 0 3 358.423 3.403 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)nn2Cc2ccccc2)CC1 ZINC000106252916 495439839 /nfs/dbraw/zinc/43/98/39/495439839.db2.gz BKKIFPOBWBOPOV-UHFFFAOYSA-N 0 3 367.497 3.402 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000106266767 495441239 /nfs/dbraw/zinc/44/12/39/495441239.db2.gz CSNSJZOZQPLXJI-TZIWHRDSSA-N 0 3 371.525 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCc2ccc(OC)cc2)CC1 ZINC000106275410 495442075 /nfs/dbraw/zinc/44/20/75/495442075.db2.gz IAFBIEUPALYMPM-UHFFFAOYSA-N 0 3 359.514 3.310 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Br)cc2)CC1 ZINC000106562884 495470394 /nfs/dbraw/zinc/47/03/94/495470394.db2.gz MKDQVOWQPZHFOO-UHFFFAOYSA-N 0 3 366.303 3.289 20 30 FGEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000120858100 495472439 /nfs/dbraw/zinc/47/24/39/495472439.db2.gz HLTMUVAJBYFQAA-BEFAXECRSA-N 0 3 367.449 3.142 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115376212 495497275 /nfs/dbraw/zinc/49/72/75/495497275.db2.gz MDYSWNUTDNVITJ-IBGZPJMESA-N 0 3 363.461 3.209 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(C3CCC(C)CC3)CC2)c(C#N)c1C ZINC000115565710 495518733 /nfs/dbraw/zinc/51/87/33/495518733.db2.gz VPOSQXHMONKKNN-HQVVEAJESA-N 0 3 372.513 3.291 20 30 FGEDHN CC(C)Oc1ccc(CC[C@@H](C)N[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115597663 495520700 /nfs/dbraw/zinc/52/07/00/495520700.db2.gz ITACFVNDULQUBE-IERDGZPVSA-N 0 3 365.477 3.483 20 30 FGEDHN COc1cccc(C2(CN[C@@H](C(N)=O)c3ccc(C#N)cc3)CCCC2)c1 ZINC000115599830 495521154 /nfs/dbraw/zinc/52/11/54/495521154.db2.gz HBYLQKADIBGODB-HXUWFJFHSA-N 0 3 363.461 3.195 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)C1CC1 ZINC000185350487 495542542 /nfs/dbraw/zinc/54/25/42/495542542.db2.gz KWLQYZMFNONHDB-IBGZPJMESA-N 0 3 369.415 3.477 20 30 FGEDHN C#CCOc1ccc(CN[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185351725 495542580 /nfs/dbraw/zinc/54/25/80/495542580.db2.gz LETGKZZAZIHREL-QFIPXVFZSA-N 0 3 366.436 3.421 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)ccc1OC ZINC000179345055 495551292 /nfs/dbraw/zinc/55/12/92/495551292.db2.gz LJXVZVIVDANNMM-IBGZPJMESA-N 0 3 372.509 3.388 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2CC)CC1 ZINC000185407547 495566449 /nfs/dbraw/zinc/56/64/49/495566449.db2.gz MVYHFNISIXYVAI-UHFFFAOYSA-N 0 3 372.900 3.468 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000185425899 495572332 /nfs/dbraw/zinc/57/23/32/495572332.db2.gz IAZUUXKQUJDQOE-SFHVURJKSA-N 0 3 368.485 3.075 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000182622765 495640271 /nfs/dbraw/zinc/64/02/71/495640271.db2.gz KDCFNANQQRVRRJ-SFHVURJKSA-N 0 3 359.518 3.304 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2cncn2)c(C)c1)C(C)C ZINC000173715206 495660505 /nfs/dbraw/zinc/66/05/05/495660505.db2.gz LLXKIHHAWCBRBW-FQEVSTJZSA-N 0 3 367.497 3.004 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCNC1(c2ccc(F)cc2)CCOCC1 ZINC000170971263 495672199 /nfs/dbraw/zinc/67/21/99/495672199.db2.gz QZYYLVBDSBNDKH-UHFFFAOYSA-N 0 3 373.453 3.383 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2cn(C)c3cc(F)ccc23)CC1 ZINC000185686089 495679090 /nfs/dbraw/zinc/67/90/90/495679090.db2.gz AIFZVQDELFJADL-UHFFFAOYSA-N 0 3 372.488 3.200 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574540861 505797113 /nfs/dbraw/zinc/79/71/13/505797113.db2.gz UARCEZKEEMKLBR-ZIPUMODLSA-N 0 3 359.473 3.298 20 30 FGEDHN C[C@H]1CCc2ccccc2[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000568873190 505797586 /nfs/dbraw/zinc/79/75/86/505797586.db2.gz MXEWBVUVUWXBIO-YWZLYKJASA-N 0 3 354.475 3.245 20 30 FGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000185766396 495718617 /nfs/dbraw/zinc/71/86/17/495718617.db2.gz VCNNVKAQMXCFII-ZWKOTPCHSA-N 0 3 361.511 3.033 20 30 FGEDHN N#Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1Cl ZINC000154755896 495718564 /nfs/dbraw/zinc/71/85/64/495718564.db2.gz WUUFXHXSGNFOMZ-UHFFFAOYSA-N 0 3 363.914 3.303 20 30 FGEDHN N#Cc1ccc(OCCN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182853006 495728717 /nfs/dbraw/zinc/72/87/17/495728717.db2.gz SXRRNXXAJNSMFR-HNNXBMFYSA-N 0 3 364.371 3.489 20 30 FGEDHN N#Cc1csc(CNCC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000574560576 505801979 /nfs/dbraw/zinc/80/19/79/505801979.db2.gz KUUUCOAAUPWQSI-UHFFFAOYSA-N 0 3 355.463 3.388 20 30 FGEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(Cl)n1 ZINC000154919960 495772137 /nfs/dbraw/zinc/77/21/37/495772137.db2.gz SKNCPMOWOXNRFX-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN C[C@H](NCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000173984114 495776608 /nfs/dbraw/zinc/77/66/08/495776608.db2.gz IERGLKIVSPUGPB-ZDUSSCGKSA-N 0 3 372.266 3.401 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000151229296 495777659 /nfs/dbraw/zinc/77/76/59/495777659.db2.gz BXBMYMULGFQEEY-ZBFHGGJFSA-N 0 3 356.857 3.394 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000151273318 495790483 /nfs/dbraw/zinc/79/04/83/495790483.db2.gz MGGRYPDZUWSERE-FQEVSTJZSA-N 0 3 372.513 3.220 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000179982572 495809651 /nfs/dbraw/zinc/80/96/51/495809651.db2.gz VBSKKLIQTDESHT-MAUKXSAKSA-N 0 3 367.873 3.391 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000179982587 495810099 /nfs/dbraw/zinc/81/00/99/495810099.db2.gz VBSKKLIQTDESHT-CRAIPNDOSA-N 0 3 367.873 3.391 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000568907566 505805555 /nfs/dbraw/zinc/80/55/55/505805555.db2.gz SKWCEODYEHMVRC-UHFFFAOYSA-N 0 3 357.473 3.497 20 30 FGEDHN CC[C@H]1Oc2cc([C@@H](C)NCCOc3cccc(C#N)c3)ccc2NC1=O ZINC000180031687 495830142 /nfs/dbraw/zinc/83/01/42/495830142.db2.gz HGEHYNZMOCFKDW-AUUYWEPGSA-N 0 3 365.433 3.397 20 30 FGEDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000183105739 495836942 /nfs/dbraw/zinc/83/69/42/495836942.db2.gz NRSQGDVSRTYGRF-AUUYWEPGSA-N 0 3 365.433 3.119 20 30 FGEDHN CN1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)[C@@H]1c1ccccc1 ZINC000180167389 495889684 /nfs/dbraw/zinc/88/96/84/495889684.db2.gz ILQTWLVMFHKRDH-MOPGFXCFSA-N 0 3 351.475 3.477 20 30 FGEDHN COc1ccc(CNc2ccc(N3CCN(C)CC3)cc2C)cc1C#N ZINC000174285413 495895038 /nfs/dbraw/zinc/89/50/38/495895038.db2.gz XZMSXIUXKGINNZ-UHFFFAOYSA-N 0 3 350.466 3.239 20 30 FGEDHN COc1ccc([C@@H]2CCN(CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000155317926 495918083 /nfs/dbraw/zinc/91/80/83/495918083.db2.gz PJUSNPKOVCIVMQ-MRXNPFEDSA-N 0 3 355.463 3.446 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000174377451 495933388 /nfs/dbraw/zinc/93/33/88/495933388.db2.gz APLLDYDJLHEGFF-HZPDHXFCSA-N 0 3 359.433 3.422 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000174377423 495933402 /nfs/dbraw/zinc/93/34/02/495933402.db2.gz APLLDYDJLHEGFF-CVEARBPZSA-N 0 3 359.433 3.422 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000151937049 495997014 /nfs/dbraw/zinc/99/70/14/495997014.db2.gz CBPVUYUTRRKBQB-UHFFFAOYSA-N 0 3 372.469 3.309 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)CC1 ZINC000171704925 495997279 /nfs/dbraw/zinc/99/72/79/495997279.db2.gz RTTGRPKSONDYSN-LJQANCHMSA-N 0 3 373.497 3.019 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000171716262 496003801 /nfs/dbraw/zinc/00/38/01/496003801.db2.gz ZHWDECLNWLPONM-IRXDYDNUSA-N 0 3 363.299 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(F)cc2Br)CC1 ZINC000171722489 496007319 /nfs/dbraw/zinc/00/73/19/496007319.db2.gz LRCDYFJGWFLPOH-UHFFFAOYSA-N 0 3 370.266 3.038 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000171734346 496012372 /nfs/dbraw/zinc/01/23/72/496012372.db2.gz MEGVFUFYPZCJDX-QGZVFWFLSA-N 0 3 356.495 3.182 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000171739470 496015115 /nfs/dbraw/zinc/01/51/15/496015115.db2.gz JTTUCVMEDCOBNK-UHFFFAOYSA-N 0 3 351.878 3.011 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(c3cccc(OC)c3)CC2)CC1 ZINC000171741886 496016406 /nfs/dbraw/zinc/01/64/06/496016406.db2.gz QPARWYDWLJAWRS-UHFFFAOYSA-N 0 3 357.498 3.235 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)CC1 ZINC000171741558 496016425 /nfs/dbraw/zinc/01/64/25/496016425.db2.gz CNDJWTPGTWWYHX-UHFFFAOYSA-N 0 3 358.486 3.443 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000183584018 496039132 /nfs/dbraw/zinc/03/91/32/496039132.db2.gz ZYNXJTVDEZBWGU-MRXNPFEDSA-N 0 3 359.433 3.423 20 30 FGEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180559347 496043869 /nfs/dbraw/zinc/04/38/69/496043869.db2.gz IQKQIWLCZWFMQS-MRXNPFEDSA-N 0 3 369.440 3.415 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2CS(C)(=O)=O)cc1 ZINC000160936689 496071830 /nfs/dbraw/zinc/07/18/30/496071830.db2.gz CYYHMJZZFHEDMJ-INIZCTEOSA-N 0 3 357.475 3.094 20 30 FGEDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000180628163 496075942 /nfs/dbraw/zinc/07/59/42/496075942.db2.gz LBRMSZKQIDMYDX-RDTXWAMCSA-N 0 3 365.433 3.397 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183686270 496079517 /nfs/dbraw/zinc/07/95/17/496079517.db2.gz FFZNQQYZOFWCAC-DLBZAZTESA-N 0 3 352.482 3.420 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](CCO)C(C)(C)C)ccc1Cl ZINC000183697448 496085426 /nfs/dbraw/zinc/08/54/26/496085426.db2.gz FUSRIFMZKJGZQS-KRWDZBQOSA-N 0 3 365.905 3.282 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCc2ccc(CC#N)cc2)cc1 ZINC000568982100 505823131 /nfs/dbraw/zinc/82/31/31/505823131.db2.gz GATYZEHJAVRKCE-FQEVSTJZSA-N 0 3 350.466 3.375 20 30 FGEDHN CCN(CC(=O)Nc1sccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183755830 496104628 /nfs/dbraw/zinc/10/46/28/496104628.db2.gz LADJSZFQQBPJNK-GOSISDBHSA-N 0 3 368.506 3.155 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)N(CCC)C(C)C)CC1 ZINC000152285063 496105232 /nfs/dbraw/zinc/10/52/32/496105232.db2.gz FFVFLYDPCGREAH-UHFFFAOYSA-N 0 3 369.509 3.231 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000155915300 496106232 /nfs/dbraw/zinc/10/62/32/496106232.db2.gz LUUDUORUZZWWNB-ROUUACIJSA-N 0 3 371.525 3.278 20 30 FGEDHN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCCC(C)(C)C#N ZINC000174809447 496116313 /nfs/dbraw/zinc/11/63/13/496116313.db2.gz WYOCNYHHZZQITH-QGZVFWFLSA-N 0 3 374.481 3.496 20 30 FGEDHN CS[C@H](CO)[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000152458518 496157707 /nfs/dbraw/zinc/15/77/07/496157707.db2.gz ALMYXGYMCVNPQR-MGPUTAFESA-N 0 3 356.491 3.339 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000174912150 496161281 /nfs/dbraw/zinc/16/12/81/496161281.db2.gz DUPJGFBXJPQOBU-FQEVSTJZSA-N 0 3 366.440 3.334 20 30 FGEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000177731076 496176414 /nfs/dbraw/zinc/17/64/14/496176414.db2.gz JJKLVMKMRJRSEM-QWXGXRTQSA-N 0 3 369.490 3.317 20 30 FGEDHN CCCCCOc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180873754 496181283 /nfs/dbraw/zinc/18/12/83/496181283.db2.gz XSXVOLNFCVJCIB-MODMUFLJSA-N 0 3 371.481 3.433 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180897444 496190598 /nfs/dbraw/zinc/19/05/98/496190598.db2.gz AUZZPTLUCUFNAZ-IAGOWNOFSA-N 0 3 350.466 3.407 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000156304851 496211474 /nfs/dbraw/zinc/21/14/74/496211474.db2.gz NMPQVURCJTZNRX-SFTDATJTSA-N 0 3 354.425 3.176 20 30 FGEDHN CN1CCN(CC(=O)Nc2ccccc2SCC#N)C2(CCCCC2)C1 ZINC000175060078 496230422 /nfs/dbraw/zinc/23/04/22/496230422.db2.gz HRWYJTDJENRPLB-UHFFFAOYSA-N 0 3 372.538 3.191 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC000177911939 496248721 /nfs/dbraw/zinc/24/87/21/496248721.db2.gz VEEJQUSDUQHTFD-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN COCc1nnc(-c2cccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c2)o1 ZINC000181097641 496269097 /nfs/dbraw/zinc/26/90/97/496269097.db2.gz RBYHDCONCJQRRE-CQSZACIVSA-N 0 3 373.372 3.249 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181143158 496285974 /nfs/dbraw/zinc/28/59/74/496285974.db2.gz ARFJBTJGPMZXLE-QGZVFWFLSA-N 0 3 352.482 3.251 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(C2CC2)CC1 ZINC000172539965 496333631 /nfs/dbraw/zinc/33/36/31/496333631.db2.gz ATKIISGFJSSREQ-MRXNPFEDSA-N 0 3 372.538 3.189 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000181312842 496349361 /nfs/dbraw/zinc/34/93/61/496349361.db2.gz ZNDGQOJIBSEVKI-QGZVFWFLSA-N 0 3 350.466 3.220 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000181453211 496402971 /nfs/dbraw/zinc/40/29/71/496402971.db2.gz MSCIGHQOSWWGAV-UHFFFAOYSA-N 0 3 371.488 3.498 20 30 FGEDHN N#CC1(c2ccc(C(=O)NCC3CCN(c4ccncc4)CC3)cc2)CC1 ZINC000181585278 496457364 /nfs/dbraw/zinc/45/73/64/496457364.db2.gz DIWXBNCOSRBRRP-UHFFFAOYSA-N 0 3 360.461 3.283 20 30 FGEDHN N#CCC[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000569091404 505849939 /nfs/dbraw/zinc/84/99/39/505849939.db2.gz KUEPXFSUNMWWGN-GOSISDBHSA-N 0 3 350.422 3.335 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000173202006 496591444 /nfs/dbraw/zinc/59/14/44/496591444.db2.gz DFGAQNDRWHGEPH-CVEARBPZSA-N 0 3 359.433 3.422 20 30 FGEDHN C[C@]1(CNC(=O)NCc2cccc(C#N)c2)CCCN1Cc1ccccc1 ZINC000153873354 496608816 /nfs/dbraw/zinc/60/88/16/496608816.db2.gz PHSDKUMFSLYNTA-JOCHJYFZSA-N 0 3 362.477 3.412 20 30 FGEDHN COc1ccc([O-])c(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181965771 496614962 /nfs/dbraw/zinc/61/49/62/496614962.db2.gz OUXJITWAQSROBB-UHFFFAOYSA-N 0 3 351.450 3.027 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)nc2)CC1 ZINC000166489782 496687848 /nfs/dbraw/zinc/68/78/48/496687848.db2.gz FOIGDVYIHQLZDR-UHFFFAOYSA-N 0 3 353.264 3.006 20 30 FGEDHN CCSCc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)no1 ZINC000185202003 496702004 /nfs/dbraw/zinc/70/20/04/496702004.db2.gz ZZPWGAQYJAAWPY-UHFFFAOYSA-N 0 3 372.494 3.003 20 30 FGEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(OC)c(OC)c1 ZINC000578099618 505860899 /nfs/dbraw/zinc/86/08/99/505860899.db2.gz BWFVSTKRIUYQBQ-QGZVFWFLSA-N 0 3 350.422 3.464 20 30 FGEDHN COc1cccc(C2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000194878611 496745328 /nfs/dbraw/zinc/74/53/28/496745328.db2.gz AJHUGBCSVNFEAH-HXUWFJFHSA-N 0 3 366.461 3.186 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCCc4sccc43)C2=O)cc1 ZINC000277364532 496749617 /nfs/dbraw/zinc/74/96/17/496749617.db2.gz WNVPMGCRZPQEIH-ZWKOTPCHSA-N 0 3 351.475 3.388 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000191410585 496753292 /nfs/dbraw/zinc/75/32/92/496753292.db2.gz MORYCIUQWKWACB-CQSZACIVSA-N 0 3 372.498 3.340 20 30 FGEDHN Cn1cc(CNC(C)(C)COc2ncccc2C(F)(F)F)cc1C#N ZINC000191451560 496766982 /nfs/dbraw/zinc/76/69/82/496766982.db2.gz LOYYAWWNRVNIBV-UHFFFAOYSA-N 0 3 352.360 3.258 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ncccc1OCCCC#N ZINC000188674711 496872161 /nfs/dbraw/zinc/87/21/61/496872161.db2.gz HYGYWQKDAHSVHS-HZPDHXFCSA-N 0 3 359.474 3.006 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3ccc(CC)cc3)C2)CC1 ZINC000188681219 496875172 /nfs/dbraw/zinc/87/51/72/496875172.db2.gz PCPGYZPPRWZVRM-OAQYLSRUSA-N 0 3 371.525 3.372 20 30 FGEDHN C=CCOc1cccc(CNC[C@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000191764612 496881818 /nfs/dbraw/zinc/88/18/18/496881818.db2.gz AWUMRVBOHAIFGC-HXUWFJFHSA-N 0 3 356.466 3.316 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000264377180 496886600 /nfs/dbraw/zinc/88/66/00/496886600.db2.gz KKTXDGFHKYJJJC-UHFFFAOYSA-N 0 3 369.509 3.331 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCSCCCO)c2)c1 ZINC000264385206 496887597 /nfs/dbraw/zinc/88/75/97/496887597.db2.gz LBTZXHNZWIAMJD-UHFFFAOYSA-N 0 3 356.491 3.342 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000188849370 496927201 /nfs/dbraw/zinc/92/72/01/496927201.db2.gz XERNEGMMKRBWBV-UHFFFAOYSA-N 0 3 372.694 3.268 20 30 FGEDHN CC(C)(C)OC(=O)CCN(Cc1ccc(C#N)c(F)c1)C1CCOCC1 ZINC000580950018 505875161 /nfs/dbraw/zinc/87/51/61/505875161.db2.gz GBFAXGQGEMTITF-UHFFFAOYSA-N 0 3 362.445 3.410 20 30 FGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2ccn[nH]2)CC1 ZINC000195507859 496945551 /nfs/dbraw/zinc/94/55/51/496945551.db2.gz LCPIUOUPYRFQTG-LBPRGKRZSA-N 0 3 369.494 3.038 20 30 FGEDHN CC(C)(CNC(=O)NCCSCc1ccccc1C#N)N1CCCCC1 ZINC000195600793 496952812 /nfs/dbraw/zinc/95/28/12/496952812.db2.gz XAPMVRZEDGIYAW-UHFFFAOYSA-N 0 3 374.554 3.355 20 30 FGEDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000248469441 497022855 /nfs/dbraw/zinc/02/28/55/497022855.db2.gz UQHQWNSSKWJCJZ-QAPCUYQASA-N 0 3 369.421 3.289 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)OCC ZINC000270015798 497041687 /nfs/dbraw/zinc/04/16/87/497041687.db2.gz HEUGJMSIJQVGEM-UYAOXDASSA-N 0 3 372.509 3.462 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000274440872 497098726 /nfs/dbraw/zinc/09/87/26/497098726.db2.gz AZKZGKKXMJOCNK-UHFFFAOYSA-N 0 3 370.497 3.059 20 30 FGEDHN Cn1c2ccc(CNCCSCc3ccccc3C#N)cc2sc1=O ZINC000192454359 497120075 /nfs/dbraw/zinc/12/00/75/497120075.db2.gz XIPGANVDJFAONB-UHFFFAOYSA-N 0 3 369.515 3.495 20 30 FGEDHN C=CCN1CCC(NCc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000236664046 497129243 /nfs/dbraw/zinc/12/92/43/497129243.db2.gz PRTRHCOPMVIVCB-UHFFFAOYSA-N 0 3 357.479 3.279 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000574950878 505889985 /nfs/dbraw/zinc/88/99/85/505889985.db2.gz SOAFVXLTIRGCPW-CRAIPNDOSA-N 0 3 370.497 3.103 20 30 FGEDHN COCc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278697315 497192695 /nfs/dbraw/zinc/19/26/95/497192695.db2.gz QNHIKXNNBZCIQM-UHFFFAOYSA-N 0 3 361.449 3.295 20 30 FGEDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192792513 497215756 /nfs/dbraw/zinc/21/57/56/497215756.db2.gz SLRKCACLLFFTTH-AQNXPRMDSA-N 0 3 355.482 3.237 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCc1nc(-c2ccoc2)no1)C(C)C ZINC000266032975 497237003 /nfs/dbraw/zinc/23/70/03/497237003.db2.gz RKDBWXWWWBMPAS-KRWDZBQOSA-N 0 3 372.469 3.077 20 30 FGEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278866927 497247774 /nfs/dbraw/zinc/24/77/74/497247774.db2.gz WSAXZXGFOBIURH-LEWJYISDSA-N 0 3 358.445 3.272 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCOCCc2ccccc2)cc1 ZINC000279246158 497379937 /nfs/dbraw/zinc/37/99/37/497379937.db2.gz GPMDKWXFBABWJJ-OAQYLSRUSA-N 0 3 361.445 3.006 20 30 FGEDHN CC(C)CCO[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279436787 497439118 /nfs/dbraw/zinc/43/91/18/497439118.db2.gz QVYOULXUEJKWRG-HXUWFJFHSA-N 0 3 367.497 3.496 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000275832017 497443543 /nfs/dbraw/zinc/44/35/43/497443543.db2.gz SOCGLSBHOLXTDA-APWZRJJASA-N 0 3 350.528 3.305 20 30 FGEDHN C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271902046 497483218 /nfs/dbraw/zinc/48/32/18/497483218.db2.gz AWXICFAIOOLLQY-RDTXWAMCSA-N 0 3 359.470 3.483 20 30 FGEDHN CN(C)Cc1cccc(C(=O)NCCSCc2ccccc2C#N)c1 ZINC000193916265 497519950 /nfs/dbraw/zinc/51/99/50/497519950.db2.gz CTGMLMUXXBZKHF-UHFFFAOYSA-N 0 3 353.491 3.283 20 30 FGEDHN C[C@@H](CCC#N)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000276326360 497545209 /nfs/dbraw/zinc/54/52/09/497545209.db2.gz PZZSJXGIZNRMOR-LBPRGKRZSA-N 0 3 365.275 3.187 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279897361 497580791 /nfs/dbraw/zinc/58/07/91/497580791.db2.gz ZMPSGANTPQIWBQ-AWEZNQCLSA-N 0 3 352.438 3.016 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccccc2OC(F)F)cc1 ZINC000280089639 497645129 /nfs/dbraw/zinc/64/51/29/497645129.db2.gz RTFBMZBDIBJJKV-QGZVFWFLSA-N 0 3 369.371 3.201 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](COc3ccccc3)C2)CC1 ZINC000272552838 497660134 /nfs/dbraw/zinc/66/01/34/497660134.db2.gz MKPMZPYHOQVVIE-SFHVURJKSA-N 0 3 357.498 3.137 20 30 FGEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000280313427 497716381 /nfs/dbraw/zinc/71/63/81/497716381.db2.gz GGGLUCSNAGCIPI-HKUYNNGSSA-N 0 3 367.836 3.398 20 30 FGEDHN Cn1cc(CNCCOc2ncc(C(F)(F)F)cc2Cl)cc1C#N ZINC000191190238 497738739 /nfs/dbraw/zinc/73/87/39/497738739.db2.gz DSUSBHXDYRJUPA-UHFFFAOYSA-N 0 3 358.751 3.133 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000280468675 497763124 /nfs/dbraw/zinc/76/31/24/497763124.db2.gz TUNXPAVOHDKLIG-MDASCCDHSA-N 0 3 365.458 3.291 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000284565795 497831201 /nfs/dbraw/zinc/83/12/01/497831201.db2.gz HQAQKAZTWUMBME-MGPUTAFESA-N 0 3 366.465 3.230 20 30 FGEDHN O=C(NCC1(N2CCSCC2)CCCC1)c1cccc2nccnc21 ZINC000329641657 497854616 /nfs/dbraw/zinc/85/46/16/497854616.db2.gz ZUWLSACWQSPNJT-UHFFFAOYSA-N 0 3 356.495 3.296 20 30 FGEDHN C=C(C)[C@H](CC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)OCC ZINC000284676396 497863482 /nfs/dbraw/zinc/86/34/82/497863482.db2.gz MTWVURXWOJXNBH-FQEVSTJZSA-N 0 3 360.498 3.147 20 30 FGEDHN Cc1cccc(NC(=O)NC(=O)CN2C[C@@H]3CCCCN3C[C@@H]2C)c1C ZINC000329678217 497865916 /nfs/dbraw/zinc/86/59/16/497865916.db2.gz WXKKCCYRYSKZLS-RDJZCZTQSA-N 0 3 358.486 3.364 20 30 FGEDHN Cc1ccc(CSCCNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000578435848 505939494 /nfs/dbraw/zinc/93/94/94/505939494.db2.gz UIWMQTUVAYEXBC-UHFFFAOYSA-N 0 3 374.531 3.163 20 30 FGEDHN Cc1sc2nc(CCC(=O)N[C@@H]3CCN(C)[C@H](C)C3)[nH]c(=O)c2c1C ZINC000329709570 497876219 /nfs/dbraw/zinc/87/62/19/497876219.db2.gz LQULDYJGGIQWJA-ZWNOBZJWSA-N 0 3 362.499 3.386 20 30 FGEDHN CC[C@@H](C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 ZINC000578449019 505942196 /nfs/dbraw/zinc/94/21/96/505942196.db2.gz YGZSOXQLYYVCLX-OAHLLOKOSA-N 0 3 350.470 3.072 20 30 FGEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000329797011 497904188 /nfs/dbraw/zinc/90/41/88/497904188.db2.gz FGVJMXMYHPNULP-NOZJJQNGSA-N 0 3 356.253 3.167 20 30 FGEDHN CC[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000299733080 497911094 /nfs/dbraw/zinc/91/10/94/497911094.db2.gz YFEKZHXRAYJUOB-QGZVFWFLSA-N 0 3 365.433 3.399 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)c2cc3n(n2)CCCO3)c2ccccc2)CC1 ZINC000329879977 497937774 /nfs/dbraw/zinc/93/77/74/497937774.db2.gz MZHZIGXMNBVOQW-IBGZPJMESA-N 0 3 368.481 3.443 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000280904753 497942865 /nfs/dbraw/zinc/94/28/65/497942865.db2.gz GGYSQOYYAXAGBE-WLRLJWMZSA-N 0 3 371.525 3.177 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000329899764 497944954 /nfs/dbraw/zinc/94/49/54/497944954.db2.gz FRUYDQSCLWVHQK-NZQKXSOJSA-N 0 3 371.440 3.289 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC000280938497 497957929 /nfs/dbraw/zinc/95/79/29/497957929.db2.gz FZVMMWJPNGMKBV-RLFYNMQTSA-N 0 3 369.346 3.330 20 30 FGEDHN COCc1nccc([C@H]2CCCN(CCCOc3cccc(C#N)c3)C2)n1 ZINC000364441466 497960182 /nfs/dbraw/zinc/96/01/82/497960182.db2.gz GZMWPNHLGHNWRS-SFHVURJKSA-N 0 3 366.465 3.143 20 30 FGEDHN Cn1cc([C@H](NCCCC2(C#N)CCOCC2)c2ccc(F)cc2)cn1 ZINC000280992454 497978981 /nfs/dbraw/zinc/97/89/81/497978981.db2.gz JFBZPNWQWMXSPN-LJQANCHMSA-N 0 3 356.445 3.339 20 30 FGEDHN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C12CCOCC2 ZINC000329983336 497980351 /nfs/dbraw/zinc/98/03/51/497980351.db2.gz BBWOSDQKYKOFDT-FGTMMUONSA-N 0 3 350.503 3.324 20 30 FGEDHN CC(C(=O)NCC(C)(C)C1=CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000330031350 497996783 /nfs/dbraw/zinc/99/67/83/497996783.db2.gz TUUKQTDJMOYZQJ-CQSZACIVSA-N 0 3 357.516 3.452 20 30 FGEDHN CC(C(=O)N[C@@H](c1ccccc1)C1CCC1)S(=O)(=O)C1CCOCC1 ZINC000330036014 497999974 /nfs/dbraw/zinc/99/99/74/497999974.db2.gz CFMKKWGLTSOXJG-KDOFPFPSSA-N 0 3 365.495 3.467 20 30 FGEDHN Cc1csc(CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000281046924 498000236 /nfs/dbraw/zinc/00/02/36/498000236.db2.gz XPEUHLULWQBIFZ-QGZVFWFLSA-N 0 3 352.463 3.145 20 30 FGEDHN CCc1nnc(C2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)[nH]1 ZINC000330097325 498020608 /nfs/dbraw/zinc/02/06/08/498020608.db2.gz AQNUHQFFMAQPQT-UHFFFAOYSA-N 0 3 371.529 3.472 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000330101341 498021926 /nfs/dbraw/zinc/02/19/26/498021926.db2.gz FDKONXOJPMVOQR-FGTMMUONSA-N 0 3 357.498 3.103 20 30 FGEDHN C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CCN(C2CCC2)C1 ZINC000292470710 498027889 /nfs/dbraw/zinc/02/78/89/498027889.db2.gz VBGZJCLNVZCEGV-OAHLLOKOSA-N 0 3 364.449 3.160 20 30 FGEDHN Cc1ccn2c(c1)nnc2C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000364590603 498038830 /nfs/dbraw/zinc/03/88/30/498038830.db2.gz ITDNRGVOGKKRHX-UHFFFAOYSA-N 0 3 361.449 3.168 20 30 FGEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000572446363 505970751 /nfs/dbraw/zinc/97/07/51/505970751.db2.gz RBOLLWXVTBPTKI-UHFFFAOYSA-N 0 3 362.481 3.172 20 30 FGEDHN CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000330248564 498079052 /nfs/dbraw/zinc/07/90/52/498079052.db2.gz GEONPWVEWMGRTL-MSOLQXFVSA-N 0 3 361.534 3.464 20 30 FGEDHN CC[C@@](C)(C#N)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000285479265 498100723 /nfs/dbraw/zinc/10/07/23/498100723.db2.gz LKMIKPUPPXZFGG-IBGZPJMESA-N 0 3 363.889 3.239 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3nc4c(cc3C#N)CCC4)CC2)C[C@@H](C)O1 ZINC000330323469 498105615 /nfs/dbraw/zinc/10/56/15/498105615.db2.gz SWOWDGJNUCCVDF-IAGOWNOFSA-N 0 3 368.525 3.158 20 30 FGEDHN Cc1nc(NCc2ccc(CN3CCC(O)CC3)cc2)c(Cl)cc1C#N ZINC000292678939 498105706 /nfs/dbraw/zinc/10/57/06/498105706.db2.gz QXIHHHAWYQGKNP-UHFFFAOYSA-N 0 3 370.884 3.484 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H](O)C23CCCC3)C1 ZINC000330348264 498114373 /nfs/dbraw/zinc/11/43/73/498114373.db2.gz IOFMMKLRYVBTDU-NEWSRXKRSA-N 0 3 357.498 3.115 20 30 FGEDHN COC(=O)C(C)(C)CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000285660420 498162637 /nfs/dbraw/zinc/16/26/37/498162637.db2.gz ZAZSJIXLBYTNDL-UHFFFAOYSA-N 0 3 354.454 3.143 20 30 FGEDHN CCC1(CC)[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)[C@H](C)[C@@H]1OC ZINC000581445241 505989816 /nfs/dbraw/zinc/98/98/16/505989816.db2.gz RVKRFOWRDCEKCR-XZDPQHSOSA-N 0 3 361.511 3.154 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000581457840 505992758 /nfs/dbraw/zinc/99/27/58/505992758.db2.gz OOJFCGGETNPHIZ-ZYSHUDEJSA-N 0 3 363.933 3.488 20 30 FGEDHN CN1CCC[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301685172 498223807 /nfs/dbraw/zinc/22/38/07/498223807.db2.gz WQIRPOMCPOUIFR-DZGCQCFKSA-N 0 3 357.439 3.418 20 30 FGEDHN COc1cc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000281659507 498229043 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/nfs/dbraw/zinc/29/83/50/499298350.db2.gz MTELPVDKBBXFDE-FQEVSTJZSA-N 0 3 360.465 3.338 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cnc(C(F)(F)F)s3)CC2)nc1 ZINC000368941957 499348876 /nfs/dbraw/zinc/34/88/76/499348876.db2.gz RKXRMXNCWGNKLK-UHFFFAOYSA-N 0 3 367.400 3.187 20 30 FGEDHN CC(=O)N1CCCCC[C@H]1C1CCN(CCOc2ccccc2C#N)CC1 ZINC000369521183 499412105 /nfs/dbraw/zinc/41/21/05/499412105.db2.gz SMANWEQTZUHVMV-NRFANRHFSA-N 0 3 369.509 3.440 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000369531430 499413591 /nfs/dbraw/zinc/41/35/91/499413591.db2.gz NBFPOASAVSZFDY-IEBWSBKVSA-N 0 3 368.506 3.454 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@H]2C1 ZINC000373060930 499449483 /nfs/dbraw/zinc/44/94/83/499449483.db2.gz WPNMNLGNOCFLHH-UZLBHIALSA-N 0 3 350.466 3.111 20 30 FGEDHN Cn1ccnc1[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000373099647 499451308 /nfs/dbraw/zinc/45/13/08/499451308.db2.gz OBDKFRWOUDSVPA-OAHLLOKOSA-N 0 3 371.872 3.153 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC(C)(C)O[C@]3(CCCOC3)C2)cc1 ZINC000373602925 499479186 /nfs/dbraw/zinc/47/91/86/499479186.db2.gz HKYKQENZNDJWKX-OAQYLSRUSA-N 0 3 357.498 3.196 20 30 FGEDHN N#Cc1ccc(OCCN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000378406181 499513001 /nfs/dbraw/zinc/51/30/01/499513001.db2.gz FKAUKDGUZGNVQO-FQEVSTJZSA-N 0 3 367.493 3.052 20 30 FGEDHN Cn1cc(CNC[C@@H]2OCCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000378485069 499522885 /nfs/dbraw/zinc/52/28/85/499522885.db2.gz YUXVDFKWROOTAF-NRFANRHFSA-N 0 3 358.445 3.362 20 30 FGEDHN Cc1cccc(OC2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000375683437 499544854 /nfs/dbraw/zinc/54/48/54/499544854.db2.gz RIFQPICIHILCEX-IBGZPJMESA-N 0 3 374.444 3.014 20 30 FGEDHN N#CCCCOc1cccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000375751512 499551300 /nfs/dbraw/zinc/55/13/00/499551300.db2.gz SUQCXXJUJJCOQI-IBGZPJMESA-N 0 3 370.497 3.139 20 30 FGEDHN C=CCC[C@H](NC[C@H]1CCCN(c2nccn3cnnc23)C1)c1ccco1 ZINC000375787117 499555580 /nfs/dbraw/zinc/55/55/80/499555580.db2.gz FZGYPAPYLUJNFE-SJORKVTESA-N 0 3 366.469 3.231 20 30 FGEDHN C#CCCOc1ccc(CN2CCC[C@@H](c3ccnc(COC)n3)C2)cc1 ZINC000375850671 499562176 /nfs/dbraw/zinc/56/21/76/499562176.db2.gz PZORIJQXAMYCFP-LJQANCHMSA-N 0 3 365.477 3.405 20 30 FGEDHN Cc1cnc([C@@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)s1 ZINC000376091815 499582445 /nfs/dbraw/zinc/58/24/45/499582445.db2.gz CVHOJCAVLKJHRC-MSOLQXFVSA-N 0 3 364.474 3.412 20 30 FGEDHN C[C@]1(c2ccccc2)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000376245771 499594334 /nfs/dbraw/zinc/59/43/34/499594334.db2.gz UPPOXONUCOGHKD-SIKLNZKXSA-N 0 3 359.429 3.015 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3ccccc3CO)CC2)cc1 ZINC000376269583 499596042 /nfs/dbraw/zinc/59/60/42/499596042.db2.gz ZYOKZGNINQREFL-OAQYLSRUSA-N 0 3 373.456 3.139 20 30 FGEDHN C=CCN1CC[C@H](N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)C1=O ZINC000410345263 499656415 /nfs/dbraw/zinc/65/64/15/499656415.db2.gz PKESBDPONCZVCM-MOPGFXCFSA-N 0 3 372.509 3.278 20 30 FGEDHN CC(C)c1nc(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)no1 ZINC000377537135 499701800 /nfs/dbraw/zinc/70/18/00/499701800.db2.gz HAUKHIJSRRRCPK-UHFFFAOYSA-N 0 3 367.453 3.273 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](CO)c1ccccc1 ZINC000411230005 499714486 /nfs/dbraw/zinc/71/44/86/499714486.db2.gz VYIJGXPTDSPYDF-GOSISDBHSA-N 0 3 357.841 3.206 20 30 FGEDHN C=CCN(C(=O)Nc1cc(C)nn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378056927 499756570 /nfs/dbraw/zinc/75/65/70/499756570.db2.gz VAQUQSLFEBUEPV-GOSISDBHSA-N 0 3 353.470 3.023 20 30 FGEDHN C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(C#N)cc1Cl ZINC000378179980 499762350 /nfs/dbraw/zinc/76/23/50/499762350.db2.gz OEAHRYZGKONNSH-KBXCAEBGSA-N 0 3 365.930 3.070 20 30 FGEDHN COc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414143104 499763776 /nfs/dbraw/zinc/76/37/76/499763776.db2.gz SFJSATFRJBLMMV-IERDGZPVSA-N 0 3 363.461 3.327 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414189099 499767350 /nfs/dbraw/zinc/76/73/50/499767350.db2.gz QZEIFGOQHDJBOC-CTNGQTDRSA-N 0 3 359.510 3.292 20 30 FGEDHN CC[C@@](CNCc1ccc(C#N)c(OC)c1)(C(=O)OC)c1ccccc1 ZINC000414591458 499812535 /nfs/dbraw/zinc/81/25/35/499812535.db2.gz SMUOUTPDNVBTQC-NRFANRHFSA-N 0 3 352.434 3.177 20 30 FGEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)ccc1F ZINC000412011295 499812619 /nfs/dbraw/zinc/81/26/19/499812619.db2.gz NQYBAEPIDIQJPI-FQEVSTJZSA-N 0 3 354.425 3.317 20 30 FGEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000573290510 506162614 /nfs/dbraw/zinc/16/26/14/506162614.db2.gz CDCWTHPPLLBCIT-OAHLLOKOSA-N 0 3 363.508 3.359 20 30 FGEDHN C=CCc1cc(CNC(=O)Nc2cccc(CNC)c2)cc(OC)c1OC ZINC000415925186 499929212 /nfs/dbraw/zinc/92/92/12/499929212.db2.gz ZUYNFRGGBSQLEJ-UHFFFAOYSA-N 0 3 369.465 3.473 20 30 FGEDHN C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N1[C@H](C)CC[C@@H]1C ZINC000413290408 499937801 /nfs/dbraw/zinc/93/78/01/499937801.db2.gz ADGFWBWIAGYBOP-ZWUHOBOKSA-N 0 3 364.287 3.391 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000416091615 499947587 /nfs/dbraw/zinc/94/75/87/499947587.db2.gz AJMKCWJIGHTPHX-FPOVZHCZSA-N 0 3 354.413 3.306 20 30 FGEDHN COc1cc(CN2CC[C@H](O)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000429147725 500013583 /nfs/dbraw/zinc/01/35/83/500013583.db2.gz CHJNLQFUDWGTKE-JXFKEZNVSA-N 0 3 366.461 3.491 20 30 FGEDHN COc1ccc([C@H](CNCc2ccc(C#N)c(F)c2)N(C)C)cc1OC ZINC000421323676 500017530 /nfs/dbraw/zinc/01/75/30/500017530.db2.gz GSGBEOSETKTWIM-SFHVURJKSA-N 0 3 357.429 3.107 20 30 FGEDHN COc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1OCCN(C)C ZINC000416332695 500018099 /nfs/dbraw/zinc/01/80/99/500018099.db2.gz IJNKORMJEGIKJL-HXUWFJFHSA-N 0 3 357.454 3.048 20 30 FGEDHN N#Cc1ccc(CNCCc2ccc(OCC(F)(F)F)nc2)cc1F ZINC000421339282 500020390 /nfs/dbraw/zinc/02/03/90/500020390.db2.gz GHNWBKOJFSUBOV-UHFFFAOYSA-N 0 3 353.319 3.366 20 30 FGEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000421364447 500027477 /nfs/dbraw/zinc/02/74/77/500027477.db2.gz OJGCSJGRPJOIPO-VXKWHMMOSA-N 0 3 367.468 3.467 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000413826151 500067918 /nfs/dbraw/zinc/06/79/18/500067918.db2.gz HLIRVUMHWPJGIN-UYAOXDASSA-N 0 3 371.525 3.069 20 30 FGEDHN N#CCCn1ncc(C(=O)NCCN2CCCCCC2)c1-c1ccccc1 ZINC000429723999 500132683 /nfs/dbraw/zinc/13/26/83/500132683.db2.gz VQSDQEKXBHXVKO-UHFFFAOYSA-N 0 3 365.481 3.070 20 30 FGEDHN COCCc1ccc(OC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425529060 500134035 /nfs/dbraw/zinc/13/40/35/500134035.db2.gz ALTODSYPTCSOJQ-UWJYYQICSA-N 0 3 368.477 3.180 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000425652277 500171273 /nfs/dbraw/zinc/17/12/73/500171273.db2.gz YRVPYCDSLVEITL-UWJYYQICSA-N 0 3 364.493 3.434 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C#N)s1 ZINC000422219427 500236248 /nfs/dbraw/zinc/23/62/48/500236248.db2.gz OIVAUZVAPMGMHH-UHFFFAOYSA-N 0 3 356.495 3.330 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C#N)s1 ZINC000422217471 500236445 /nfs/dbraw/zinc/23/64/45/500236445.db2.gz KRKPSYFCGGYVQQ-UHFFFAOYSA-N 0 3 360.458 3.032 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@@H](N)CC2CCCCC2)cc(OC)c1OC ZINC000423120815 500345252 /nfs/dbraw/zinc/34/52/52/500345252.db2.gz HSMHDXNBGNDXAH-SFHVURJKSA-N 0 3 360.498 3.346 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419374640 500358590 /nfs/dbraw/zinc/35/85/90/500358590.db2.gz QDIOPSVWRDPJQP-OALUTQOASA-N 0 3 353.853 3.275 20 30 FGEDHN N#Cc1cnc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c(Cl)c1 ZINC000428034240 500460968 /nfs/dbraw/zinc/46/09/68/500460968.db2.gz SJIVLVRILYTTKW-ZDUSSCGKSA-N 0 3 374.897 3.310 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000424172104 500463307 /nfs/dbraw/zinc/46/33/07/500463307.db2.gz MYLFVHWKDASQGW-BPUTZDHNSA-N 0 3 353.388 3.479 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000424181609 500464723 /nfs/dbraw/zinc/46/47/23/500464723.db2.gz CYRNEPIBRAJOSC-HOCLYGCPSA-N 0 3 357.351 3.124 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCN(C(C)C)CC2)c1 ZINC000428237979 500485163 /nfs/dbraw/zinc/48/51/63/500485163.db2.gz BZIKTAVLNJVHKM-HXUWFJFHSA-N 0 3 370.541 3.355 20 30 FGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000424327965 500486839 /nfs/dbraw/zinc/48/68/39/500486839.db2.gz NKKCZMRAWXQXQF-HLLBOEOZSA-N 0 3 373.478 3.101 20 30 FGEDHN C[C@@H]1CCN(C(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000420881214 500520484 /nfs/dbraw/zinc/52/04/84/500520484.db2.gz DYBJDASUSCKIOV-MRXNPFEDSA-N 0 3 368.506 3.426 20 30 FGEDHN C=C(C)C(C)(C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000424598944 500524941 /nfs/dbraw/zinc/52/49/41/500524941.db2.gz JJXAUJLFVQOSQV-UHFFFAOYSA-N 0 3 357.542 3.303 20 30 FGEDHN C=CCC(C)(C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000432562183 500533207 /nfs/dbraw/zinc/53/32/07/500533207.db2.gz IVBVRHCFLHYWJJ-CALCHBBNSA-N 0 3 351.535 3.120 20 30 FGEDHN Cc1ccc(C)c(OCCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428788067 500557546 /nfs/dbraw/zinc/55/75/46/500557546.db2.gz VSDLZHVBBFLLNL-IBGZPJMESA-N 0 3 351.450 3.492 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccccc1 ZINC000433012069 500606448 /nfs/dbraw/zinc/60/64/48/500606448.db2.gz RFFKEFJWKMFOKB-LJQANCHMSA-N 0 3 364.449 3.037 20 30 FGEDHN COc1ccc(CNC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433013056 500606637 /nfs/dbraw/zinc/60/66/37/500606637.db2.gz WAXJJAGQAFONIT-HXUWFJFHSA-N 0 3 351.450 3.336 20 30 FGEDHN COc1ccc(OC)c(CCNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433307480 500667766 /nfs/dbraw/zinc/66/77/66/500667766.db2.gz VOULNNJFWVGXSJ-GOSISDBHSA-N 0 3 352.434 3.135 20 30 FGEDHN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCCC[NH+]1CCCCC1 ZINC000443062441 500672478 /nfs/dbraw/zinc/67/24/78/500672478.db2.gz AZZMUFQTCXRMMM-UHFFFAOYSA-N 0 3 369.918 3.146 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)CC1 ZINC000437725941 500687014 /nfs/dbraw/zinc/68/70/14/500687014.db2.gz YTZUDHXXJRHPNO-RTBURBONSA-N 0 3 351.535 3.310 20 30 FGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000448015526 500708311 /nfs/dbraw/zinc/70/83/11/500708311.db2.gz QTRGYARAGNWRBX-HNNXBMFYSA-N 0 3 366.412 3.402 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000438203729 500754309 /nfs/dbraw/zinc/75/43/09/500754309.db2.gz TWEFHNAODVPXQK-BQFCYCMXSA-N 0 3 363.527 3.165 20 30 FGEDHN CCN(C(=O)c1cc(C#N)[nH]c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000448766620 500827912 /nfs/dbraw/zinc/82/79/12/500827912.db2.gz COCUBBQGKJZPQE-LPHOPBHVSA-N 0 3 350.466 3.492 20 30 FGEDHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000444597655 500864019 /nfs/dbraw/zinc/86/40/19/500864019.db2.gz NTTHCBHAVDWKMA-YRWFTTLQSA-N 0 3 356.514 3.456 20 30 FGEDHN C=CCC1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CCCCC1 ZINC000448925840 500870804 /nfs/dbraw/zinc/87/08/04/500870804.db2.gz QZJYQFQZEGNAQD-UHFFFAOYSA-N 0 3 371.525 3.121 20 30 FGEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000439437040 500897209 /nfs/dbraw/zinc/89/72/09/500897209.db2.gz JRLBHYADZOAPBH-OAQYLSRUSA-N 0 3 369.896 3.280 20 30 FGEDHN COc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1C#N ZINC000444785070 500900384 /nfs/dbraw/zinc/90/03/84/500900384.db2.gz XGIUUPDSGPIAEV-UHFFFAOYSA-N 0 3 350.462 3.384 20 30 FGEDHN CCCCO[C@@H]1C[C@@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000434858112 500902877 /nfs/dbraw/zinc/90/28/77/500902877.db2.gz MEHIDJONYHSPBN-ARFHVFGLSA-N 0 3 361.511 3.298 20 30 FGEDHN N#Cc1cccc(C2(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC2)c1 ZINC000435020235 500922986 /nfs/dbraw/zinc/92/29/86/500922986.db2.gz INBIIKPJBLZWBV-NRFANRHFSA-N 0 3 359.473 3.371 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC000602591162 506225690 /nfs/dbraw/zinc/22/56/90/506225690.db2.gz FSKSYGUODFWWRD-AWEZNQCLSA-N 0 3 366.387 3.257 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](CC(C)(C)C)NC)cc1 ZINC000449239304 500955219 /nfs/dbraw/zinc/95/52/19/500955219.db2.gz JAKBTGKKSIRQGB-SFHVURJKSA-N 0 3 357.498 3.464 20 30 FGEDHN N#CCCCOc1cccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000449360806 500986738 /nfs/dbraw/zinc/98/67/38/500986738.db2.gz VGNNYRAHNGYNDU-QGZVFWFLSA-N 0 3 370.474 3.030 20 30 FGEDHN C=CCC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccccc1 ZINC000435762171 501024598 /nfs/dbraw/zinc/02/45/98/501024598.db2.gz NQKBDSABHIILRH-UXHICEINSA-N 0 3 359.514 3.446 20 30 FGEDHN N#Cc1cnc2c(Br)cccc2c1N1CC[C@H](N2CC=CC2)C1 ZINC000440681151 501038236 /nfs/dbraw/zinc/03/82/36/501038236.db2.gz ZPDIIARGWMFJGT-AWEZNQCLSA-N 0 3 369.266 3.319 20 30 FGEDHN COc1cc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)ccc1C#N ZINC000449652416 501050648 /nfs/dbraw/zinc/05/06/48/501050648.db2.gz AXIPJBDSQYUKDH-QRQLOZEOSA-N 0 3 354.454 3.050 20 30 FGEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000436254143 501096255 /nfs/dbraw/zinc/09/62/55/501096255.db2.gz PPHGZCSWDWOZCF-WOJBJXKFSA-N 0 3 357.498 3.138 20 30 FGEDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450464379 501128316 /nfs/dbraw/zinc/12/83/16/501128316.db2.gz YJEDYUROCYPVNJ-CQSZACIVSA-N 0 3 371.466 3.190 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(C#N)c1Br ZINC000450489077 501134634 /nfs/dbraw/zinc/13/46/34/501134634.db2.gz YYBWBUDREVYLDF-LBPRGKRZSA-N 0 3 364.287 3.123 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000436717761 501196315 /nfs/dbraw/zinc/19/63/15/501196315.db2.gz CWDNMXVQIMEENA-VQIMIIECSA-N 0 3 363.461 3.235 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1F ZINC000582469235 506240608 /nfs/dbraw/zinc/24/06/08/506240608.db2.gz LEOYTKCDWAIJGG-LJQANCHMSA-N 0 3 366.440 3.161 20 30 FGEDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C#N)c(F)c1 ZINC000436790007 501212003 /nfs/dbraw/zinc/21/20/03/501212003.db2.gz GKECKAWGCQWFOW-AWEZNQCLSA-N 0 3 367.424 3.358 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000450275724 501224005 /nfs/dbraw/zinc/22/40/05/501224005.db2.gz KMWJPBRGFKIHRU-IFMALSPDSA-N 0 3 350.462 3.356 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2ccncc2)C1 ZINC000451002109 501238102 /nfs/dbraw/zinc/23/81/02/501238102.db2.gz RZDGCYVZGUHNMD-SFTDATJTSA-N 0 3 352.478 3.429 20 30 FGEDHN Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ncc1C#N ZINC000457586401 501263875 /nfs/dbraw/zinc/26/38/75/501263875.db2.gz VHORHCKZVYTCOK-XLIONFOSSA-N 0 3 362.477 3.387 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451326191 501266320 /nfs/dbraw/zinc/26/63/20/501266320.db2.gz CTBVNOZLFZIZFJ-KRWDZBQOSA-N 0 3 360.841 3.264 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCC2 ZINC000451470245 501299903 /nfs/dbraw/zinc/29/99/03/501299903.db2.gz GCLJZQCXSHLWGK-ATZDWAIDSA-N 0 3 373.472 3.398 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000451472280 501300546 /nfs/dbraw/zinc/30/05/46/501300546.db2.gz KEBQEODXFOIGBX-WOJBJXKFSA-N 0 3 369.509 3.487 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](OCC)[C@@H](C)C1)C(C)C ZINC000457763023 501303787 /nfs/dbraw/zinc/30/37/87/501303787.db2.gz YWGFAUPZAFLXBL-IPMKNSEASA-N 0 3 351.535 3.142 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000457804618 501312720 /nfs/dbraw/zinc/31/27/20/501312720.db2.gz NCWMVPMQJCEAAK-FUDKSRODSA-N 0 3 368.521 3.482 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000453361192 501320358 /nfs/dbraw/zinc/32/03/58/501320358.db2.gz AOJLTXOKBOWGRM-IERDGZPVSA-N 0 3 353.441 3.249 20 30 FGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453365220 501320393 /nfs/dbraw/zinc/32/03/93/501320393.db2.gz RDYDMGOPHMHUEE-RDJZCZTQSA-N 0 3 351.512 3.381 20 30 FGEDHN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453425672 501329336 /nfs/dbraw/zinc/32/93/36/501329336.db2.gz NZFOGLROHXVDHE-VQIMIIECSA-N 0 3 367.497 3.061 20 30 FGEDHN C=CCn1c(N2CCN(CCC(C)(C)C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453433784 501331525 /nfs/dbraw/zinc/33/15/25/501331525.db2.gz DFMHUFUZNZZAMW-FQEVSTJZSA-N 0 3 361.534 3.048 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000451602576 501334701 /nfs/dbraw/zinc/33/47/01/501334701.db2.gz XFNNTYGYZQCTTM-UWVAXJGDSA-N 0 3 356.491 3.195 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000451601825 501334785 /nfs/dbraw/zinc/33/47/85/501334785.db2.gz BJXHDFTXVOEMQY-RTWAWAEBSA-N 0 3 356.510 3.099 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)c1cccc(C#N)c1Br ZINC000451686998 501350440 /nfs/dbraw/zinc/35/04/40/501350440.db2.gz AQNRDILDBLAMBY-UHFFFAOYSA-N 0 3 364.287 3.269 20 30 FGEDHN CC(C)(C)C(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000453597826 501357482 /nfs/dbraw/zinc/35/74/82/501357482.db2.gz ZVRHACBWVUUIHG-ZDUSSCGKSA-N 0 3 361.405 3.433 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455763059 501381348 /nfs/dbraw/zinc/38/13/48/501381348.db2.gz OZNWRPJZAMJVLP-CYBMUJFWSA-N 0 3 357.845 3.249 20 30 FGEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000452018839 501419732 /nfs/dbraw/zinc/41/97/32/501419732.db2.gz RCHGOTSXGBTVLC-DFQSSKMNSA-N 0 3 357.498 3.486 20 30 FGEDHN COc1cc(CN2C[C@H](C)C[C@H](O)C2)ccc1OCc1cccc(C#N)c1 ZINC000452064842 501428160 /nfs/dbraw/zinc/42/81/60/501428160.db2.gz AMWKEOOXSZFKGH-UZLBHIALSA-N 0 3 366.461 3.349 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)NCc2ccccc2OCCN(C)C)c1 ZINC000456004313 501436301 /nfs/dbraw/zinc/43/63/01/501436301.db2.gz OICYJSZJZUAXMI-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN CC(C)N1CC[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000452113956 501437978 /nfs/dbraw/zinc/43/79/78/501437978.db2.gz JBEHZISZBJEPCM-KRWDZBQOSA-N 0 3 352.482 3.152 20 30 FGEDHN CN(C)[C@@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)Cc1ccccc1 ZINC000596091847 506253828 /nfs/dbraw/zinc/25/38/28/506253828.db2.gz FONQRKDOZSTQLW-HXUWFJFHSA-N 0 3 364.493 3.265 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000458661587 501501506 /nfs/dbraw/zinc/50/15/06/501501506.db2.gz UAQKJJXONZSXAT-IBGZPJMESA-N 0 3 359.514 3.045 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000454293506 501505085 /nfs/dbraw/zinc/50/50/85/501505085.db2.gz NJIRZSHPUBFPNK-UHFFFAOYSA-N 0 3 357.483 3.067 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000454462397 501551189 /nfs/dbraw/zinc/55/11/89/501551189.db2.gz SSUZXXJSFDEGPP-LJQANCHMSA-N 0 3 354.429 3.108 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)CN2CCCC2)cc1 ZINC000454549904 501575470 /nfs/dbraw/zinc/57/54/70/501575470.db2.gz WXIKYDOEGVWDNQ-IBGZPJMESA-N 0 3 372.513 3.234 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000456973678 501628440 /nfs/dbraw/zinc/62/84/40/501628440.db2.gz WXIFZAMLLBWYQB-UHFFFAOYSA-N 0 3 363.461 3.323 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459388521 501644988 /nfs/dbraw/zinc/64/49/88/501644988.db2.gz LQNXEEBFENZYCG-UHFFFAOYSA-N 0 3 358.467 3.224 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)N(C)C ZINC000459656207 501693835 /nfs/dbraw/zinc/69/38/35/501693835.db2.gz GCIGHTOCWINJCS-NSHDSACASA-N 0 3 356.264 3.086 20 30 FGEDHN N#Cc1cnc(C(=O)NC2CCN(CCc3ccccc3)CC2)c(Cl)c1 ZINC000460001531 501724585 /nfs/dbraw/zinc/72/45/85/501724585.db2.gz YXIWPIUWFXJHGF-UHFFFAOYSA-N 0 3 368.868 3.044 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1)C(C)C ZINC000460126250 501732825 /nfs/dbraw/zinc/73/28/25/501732825.db2.gz VIRKWMSQHZWTDF-GUDVDZBRSA-N 0 3 363.546 3.284 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000596125562 506270658 /nfs/dbraw/zinc/27/06/58/506270658.db2.gz BVCFOEJJEABKSK-OAQYLSRUSA-N 0 3 362.477 3.017 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccco1 ZINC000588339846 506272801 /nfs/dbraw/zinc/27/28/01/506272801.db2.gz RFQZMTCNFBXBOB-GUYCJALGSA-N 0 3 358.417 3.219 20 30 FGEDHN C=CCOCCCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000470762133 501794250 /nfs/dbraw/zinc/79/42/50/501794250.db2.gz PDSADPSGLNISPF-UHFFFAOYSA-N 0 3 353.304 3.159 20 30 FGEDHN CN(CCCOc1ccc(F)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470819182 501815856 /nfs/dbraw/zinc/81/58/56/501815856.db2.gz COLSPYQLOKDTHC-SFHVURJKSA-N 0 3 365.408 3.307 20 30 FGEDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nc1 ZINC000463815456 501828594 /nfs/dbraw/zinc/82/85/94/501828594.db2.gz QQCGFOUAQFNIHI-UHFFFAOYSA-N 0 3 350.466 3.281 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc3ccccc3n2)cc1 ZINC000470866834 501833927 /nfs/dbraw/zinc/83/39/27/501833927.db2.gz PIIAUVGINLIHJV-IBGZPJMESA-N 0 3 354.413 3.148 20 30 FGEDHN C[C@@H](CN(C)C)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485501326 501839154 /nfs/dbraw/zinc/83/91/54/501839154.db2.gz GMLICNQOJBCBBV-AWEZNQCLSA-N 0 3 368.485 3.113 20 30 FGEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nc2ncccc2cc1C#N ZINC000596145035 506278131 /nfs/dbraw/zinc/27/81/31/506278131.db2.gz PDMIDACCZUCCGJ-SFHVURJKSA-N 0 3 357.461 3.460 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)c1ccccc1 ZINC000481807126 501889509 /nfs/dbraw/zinc/88/95/09/501889509.db2.gz OEEZKSKZLBCTLX-GGPKGHCWSA-N 0 3 371.525 3.047 20 30 FGEDHN Cc1ccc(C)c(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1 ZINC000471051365 501903339 /nfs/dbraw/zinc/90/33/39/501903339.db2.gz YHXPHRQKAIYEBQ-OAQYLSRUSA-N 0 3 372.472 3.206 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460808027 501926708 /nfs/dbraw/zinc/92/67/08/501926708.db2.gz WDPGOGRVWXDRCC-DLBZAZTESA-N 0 3 364.497 3.312 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000471125376 501928714 /nfs/dbraw/zinc/92/87/14/501928714.db2.gz RUBVERDKVOVLAQ-HNNXBMFYSA-N 0 3 368.780 3.119 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000471156570 501937877 /nfs/dbraw/zinc/93/78/77/501937877.db2.gz LCIWBGKKJIUOJY-YJYMSZOUSA-N 0 3 363.889 3.317 20 30 FGEDHN COCCNC(=O)[C@H](CC(C)C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000482002347 501942325 /nfs/dbraw/zinc/94/23/25/501942325.db2.gz QDLDUCNTJWTCTM-UXHICEINSA-N 0 3 357.498 3.093 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485877154 501971965 /nfs/dbraw/zinc/97/19/65/501971965.db2.gz UQFVJYPLIKYTFN-NJYVYQBISA-N 0 3 364.493 3.301 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccco1 ZINC000461028043 501993750 /nfs/dbraw/zinc/99/37/50/501993750.db2.gz XPEIHLIOGHEKTR-WMLDXEAASA-N 0 3 370.453 3.088 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000478694762 502060100 /nfs/dbraw/zinc/06/01/00/502060100.db2.gz AFHLAXVYFMRFAQ-ZWOKBUDYSA-N 0 3 357.498 3.341 20 30 FGEDHN CN(C)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000468511707 502086321 /nfs/dbraw/zinc/08/63/21/502086321.db2.gz OCFWQJYPYFDMOK-IBGZPJMESA-N 0 3 360.417 3.246 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000475263629 502110334 /nfs/dbraw/zinc/11/03/34/502110334.db2.gz IRZHPENBPBJENE-QGZVFWFLSA-N 0 3 357.498 3.030 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000475272159 502112889 /nfs/dbraw/zinc/11/28/89/502112889.db2.gz XPEUOLDMEOVHGQ-DOTOQJQBSA-N 0 3 357.498 3.076 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@@H](c2cccs2)N2CCCC2)nc1 ZINC000486417296 502148020 /nfs/dbraw/zinc/14/80/20/502148020.db2.gz OOLNKICHOFBAOX-INIZCTEOSA-N 0 3 356.495 3.308 20 30 FGEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000486577755 502196019 /nfs/dbraw/zinc/19/60/19/502196019.db2.gz GIFBINMSMABULK-AWEZNQCLSA-N 0 3 369.494 3.163 20 30 FGEDHN C[C@@H](C(=O)NC1CCN(CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000461903222 502229778 /nfs/dbraw/zinc/22/97/78/502229778.db2.gz MGCHEMPCFCDDOW-GOSISDBHSA-N 0 3 361.489 3.485 20 30 FGEDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(Cl)cc1C#N ZINC000461947105 502247912 /nfs/dbraw/zinc/24/79/12/502247912.db2.gz IOVKLFLGZNXUJM-IEBWSBKVSA-N 0 3 370.884 3.210 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncc(Br)cn1 ZINC000486787442 502261296 /nfs/dbraw/zinc/26/12/96/502261296.db2.gz PEPJXSHZPQAZHW-TZMCWYRMSA-N 0 3 373.254 3.189 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@H]1c1ccccc1)C(C)C ZINC000465537725 502296491 /nfs/dbraw/zinc/29/64/91/502296491.db2.gz DJFYAEFQRVPQPE-SFTDATJTSA-N 0 3 371.525 3.468 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469231225 502344896 /nfs/dbraw/zinc/34/48/96/502344896.db2.gz DNWIRHPDWYKUDY-HUUCEWRRSA-N 0 3 352.438 3.206 20 30 FGEDHN CC[C@H](C)n1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C ZINC000479915189 502417803 /nfs/dbraw/zinc/41/78/03/502417803.db2.gz VJKKCVVWXYWNQH-INIZCTEOSA-N 0 3 367.497 3.238 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CC=CCC2)cc1 ZINC000483532744 502423278 /nfs/dbraw/zinc/42/32/78/502423278.db2.gz OOKSBVKFNQMIGP-GJZGRUSLSA-N 0 3 361.467 3.192 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000462403316 502423646 /nfs/dbraw/zinc/42/36/46/502423646.db2.gz QMSIDYLQPJJADP-YWZLYKJASA-N 0 3 351.450 3.089 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000466034233 502461088 /nfs/dbraw/zinc/46/10/88/502461088.db2.gz AWCQYWJKXVOUJP-VQIMIIECSA-N 0 3 370.497 3.105 20 30 FGEDHN C[C@]1(NCCS(=O)(=O)c2ccc(C#N)cc2)CCCc2ccccc21 ZINC000483776077 502490157 /nfs/dbraw/zinc/49/01/57/502490157.db2.gz RPZKWPRIZZLYSS-FQEVSTJZSA-N 0 3 354.475 3.173 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCCOc2ccc(C#N)cc2)[C@H]1Oc1ccccc1 ZINC000480172105 502490640 /nfs/dbraw/zinc/49/06/40/502490640.db2.gz MGKKRXOHMKFENH-NJDAHSKKSA-N 0 3 352.434 3.152 20 30 FGEDHN C=CC1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000483780679 502490981 /nfs/dbraw/zinc/49/09/81/502490981.db2.gz CTBKIPWLSVYQJF-UHFFFAOYSA-N 0 3 351.560 3.346 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(F)c(Cl)c1 ZINC000599086890 506318273 /nfs/dbraw/zinc/31/82/73/506318273.db2.gz AIUAZKWFDGPHTG-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN Cn1cc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1C#N ZINC000480331753 502539572 /nfs/dbraw/zinc/53/95/72/502539572.db2.gz FZKDVHFYDGYBEX-AWEZNQCLSA-N 0 3 364.371 3.164 20 30 FGEDHN CCN(C)c1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000480343881 502541980 /nfs/dbraw/zinc/54/19/80/502541980.db2.gz PFQIBQWDBYVKMV-SFHVURJKSA-N 0 3 367.472 3.307 20 30 FGEDHN Cc1cc(C)c(NC(=O)CCCN2C[C@@H](C)N(CC#N)[C@H](C)C2)c(C)c1 ZINC000602855080 506326736 /nfs/dbraw/zinc/32/67/36/506326736.db2.gz RQVYTZMGSMPAQZ-RTBURBONSA-N 0 3 356.514 3.249 20 30 FGEDHN N#Cc1cccc(CCNC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000466819048 502693066 /nfs/dbraw/zinc/69/30/66/502693066.db2.gz IHAPJFVJHULPPN-UHFFFAOYSA-N 0 3 362.477 3.018 20 30 FGEDHN C=CCc1ccc(OCC(=O)NCCN2CCCC(C)(C)C2)c(OC)c1 ZINC000470311299 502732390 /nfs/dbraw/zinc/73/23/90/502732390.db2.gz YHOGDCAMCJLJEF-UHFFFAOYSA-N 0 3 360.498 3.041 20 30 FGEDHN CCN1CCC(N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000495345372 502827955 /nfs/dbraw/zinc/82/79/55/502827955.db2.gz OYKHCQJZNAXUNN-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN CN(C)CCN(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000501097397 502936762 /nfs/dbraw/zinc/93/67/62/502936762.db2.gz BKFYNOOEVLSEKV-UHFFFAOYSA-N 0 3 368.485 3.067 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](COc2ccccc2)C1 ZINC000505813753 502991704 /nfs/dbraw/zinc/99/17/04/502991704.db2.gz UHFSRERWQVHALF-SFHVURJKSA-N 0 3 352.434 3.347 20 30 FGEDHN COc1cc(CN2CC[C@H]([C@@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000506036532 503033420 /nfs/dbraw/zinc/03/34/20/503033420.db2.gz NHXDAGKUFKPVNJ-UZLBHIALSA-N 0 3 366.461 3.349 20 30 FGEDHN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(OC)c(OC)c1 ZINC000510192690 503068268 /nfs/dbraw/zinc/06/82/68/503068268.db2.gz NVYXEDQGVIYZPL-QGZVFWFLSA-N 0 3 373.497 3.429 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc(F)c(F)c1)C(C)C ZINC000514074431 503080707 /nfs/dbraw/zinc/08/07/07/503080707.db2.gz NTQOVUXEQAYZHV-SFHVURJKSA-N 0 3 351.441 3.463 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000501867025 503097451 /nfs/dbraw/zinc/09/74/51/503097451.db2.gz MNKAQLOAFZOIOG-QGZVFWFLSA-N 0 3 355.482 3.050 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N)N(C)C ZINC000510535583 503136741 /nfs/dbraw/zinc/13/67/41/503136741.db2.gz DYZXOFYUHFQGKM-LZJOCLMNSA-N 0 3 365.477 3.442 20 30 FGEDHN Cc1nc(SCC(=O)Nc2cccc3c2CCNC3)c(C#N)c(C)c1C ZINC000514611144 503148978 /nfs/dbraw/zinc/14/89/78/503148978.db2.gz BMQZVHVOZAGVRU-UHFFFAOYSA-N 0 3 366.490 3.255 20 30 FGEDHN N#CC1(CCCN[C@@H](CO)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000602926710 506355289 /nfs/dbraw/zinc/35/52/89/506355289.db2.gz VZURKENGDUJPOT-INIZCTEOSA-N 0 3 356.388 3.429 20 30 FGEDHN C=CCOc1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1OC ZINC000498520330 503200945 /nfs/dbraw/zinc/20/09/45/503200945.db2.gz HGFJOHXMUBGDOV-UHFFFAOYSA-N 0 3 370.449 3.453 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000502456336 503202366 /nfs/dbraw/zinc/20/23/66/503202366.db2.gz ZGJYLBMGFNHQOU-UHFFFAOYSA-N 0 3 372.509 3.405 20 30 FGEDHN CC(C)N(CCC(=O)NCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000511110753 503257764 /nfs/dbraw/zinc/25/77/64/503257764.db2.gz NDTATRFDGGLSAM-UHFFFAOYSA-N 0 3 363.461 3.158 20 30 FGEDHN COc1ccccc1C[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507401410 503294496 /nfs/dbraw/zinc/29/44/96/503294496.db2.gz LBFYXMSHSLBIIS-UZLBHIALSA-N 0 3 363.461 3.283 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCCn1ccnc1C ZINC000503076402 503341002 /nfs/dbraw/zinc/34/10/02/503341002.db2.gz UGZQPHRREJHSQK-INIZCTEOSA-N 0 3 360.527 3.178 20 30 FGEDHN N#Cc1ccc(OCCN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000515461029 503342986 /nfs/dbraw/zinc/34/29/86/503342986.db2.gz BOHWKJPTVQEVNN-NRFANRHFSA-N 0 3 354.425 3.003 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)CC1 ZINC000499364062 503388257 /nfs/dbraw/zinc/38/82/57/503388257.db2.gz PPWHDQPJYCZMOB-UHFFFAOYSA-N 0 3 366.509 3.432 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000508234559 503459721 /nfs/dbraw/zinc/45/97/21/503459721.db2.gz HHSOFDKMNRWNDN-UHFFFAOYSA-N 0 3 354.498 3.353 20 30 FGEDHN C[C@@H]1CCCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000512197378 503482964 /nfs/dbraw/zinc/48/29/64/503482964.db2.gz PQQVSLIUMQNVQQ-OAHLLOKOSA-N 0 3 352.400 3.438 20 30 FGEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F ZINC000516454511 503514164 /nfs/dbraw/zinc/51/41/64/503514164.db2.gz SRPOYBRQVZHXFW-UHFFFAOYSA-N 0 3 360.454 3.038 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1C#N ZINC000508535533 503515038 /nfs/dbraw/zinc/51/50/38/503515038.db2.gz TZKIDYVYIUIHKL-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN COC(=O)[C@@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508643338 503536413 /nfs/dbraw/zinc/53/64/13/503536413.db2.gz HFWRXLIIQJYDIG-GOSISDBHSA-N 0 3 350.418 3.132 20 30 FGEDHN C=CCc1cc(CNCc2ccnc(N3CCCC3)c2)cc(OC)c1O ZINC000500293342 503597505 /nfs/dbraw/zinc/59/75/05/503597505.db2.gz AUOMPPKCEOLXHZ-UHFFFAOYSA-N 0 3 353.466 3.414 20 30 FGEDHN CC(=O)NC1CCC(N(C)CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000543174247 503659410 /nfs/dbraw/zinc/65/94/10/503659410.db2.gz BLMPWLNKZOQCGS-UHFFFAOYSA-N 0 3 368.399 3.316 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000517263835 503698640 /nfs/dbraw/zinc/69/86/40/503698640.db2.gz AZMKCKRJIMMGMY-LJQANCHMSA-N 0 3 351.498 3.442 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000540459001 503777825 /nfs/dbraw/zinc/77/78/25/503777825.db2.gz UAPRPVAIMKPGBD-WOJBJXKFSA-N 0 3 350.462 3.403 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000517642394 503794533 /nfs/dbraw/zinc/79/45/33/503794533.db2.gz OPDFSIABOAXGNN-UWVAXJGDSA-N 0 3 363.461 3.277 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530025744 503798607 /nfs/dbraw/zinc/79/86/07/503798607.db2.gz QYAVLIZGQHQJMQ-UYAOXDASSA-N 0 3 355.482 3.095 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000533417770 503837417 /nfs/dbraw/zinc/83/74/17/503837417.db2.gz QFHMKUNXFPQQBO-QGZVFWFLSA-N 0 3 359.539 3.463 20 30 FGEDHN CC(C)(O)CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000533482369 503861743 /nfs/dbraw/zinc/86/17/43/503861743.db2.gz ZOBMADNLKILGHD-UHFFFAOYSA-N 0 3 371.399 3.189 20 30 FGEDHN C=CCSCCN[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000543763620 503884333 /nfs/dbraw/zinc/88/43/33/503884333.db2.gz WRBBCMGBFGVNGQ-HNNXBMFYSA-N 0 3 356.557 3.287 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000530231674 503885058 /nfs/dbraw/zinc/88/50/58/503885058.db2.gz KRZCTOSQKUQJNG-CRAIPNDOSA-N 0 3 372.852 3.455 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2C2CCOCC2)c1 ZINC000540827500 503906213 /nfs/dbraw/zinc/90/62/13/503906213.db2.gz YAHYVNBMJQDTRL-NRFANRHFSA-N 0 3 369.509 3.441 20 30 FGEDHN N#Cc1ccsc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000518725713 504049216 /nfs/dbraw/zinc/04/92/16/504049216.db2.gz OYQDCROVOWVZTP-UHFFFAOYSA-N 0 3 351.475 3.283 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1cccnc1 ZINC000530693170 504054769 /nfs/dbraw/zinc/05/47/69/504054769.db2.gz IBXCCBJJEWJTPL-UHFFFAOYSA-N 0 3 357.527 3.222 20 30 FGEDHN N#Cc1ccc(OCCN2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000537843646 504062760 /nfs/dbraw/zinc/06/27/60/504062760.db2.gz RRQSJWXWHNFTNC-UHFFFAOYSA-N 0 3 362.429 3.498 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000530721954 504064732 /nfs/dbraw/zinc/06/47/32/504064732.db2.gz RVCBGLXOIQVMBG-SFHVURJKSA-N 0 3 352.413 3.483 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)s1 ZINC000534314497 504107506 /nfs/dbraw/zinc/10/75/06/504107506.db2.gz YNKWKQDVLHMTSQ-MRXNPFEDSA-N 0 3 369.490 3.452 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc4[nH]cnc4c3)CC2)c1 ZINC000534347984 504119231 /nfs/dbraw/zinc/11/92/31/504119231.db2.gz DGVPJIDFYFPDSF-UHFFFAOYSA-N 0 3 359.433 3.285 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000534347984 504119234 /nfs/dbraw/zinc/11/92/34/504119234.db2.gz DGVPJIDFYFPDSF-UHFFFAOYSA-N 0 3 359.433 3.285 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528278951 504144189 /nfs/dbraw/zinc/14/41/89/504144189.db2.gz LRCFAPACUZKJIZ-SFHVURJKSA-N 0 3 357.498 3.042 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1Cc2c1cccc2Cl ZINC000528283490 504146097 /nfs/dbraw/zinc/14/60/97/504146097.db2.gz TVXMEIFHASTJHB-IBGZPJMESA-N 0 3 367.880 3.442 20 30 FGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000541492418 504148832 /nfs/dbraw/zinc/14/88/32/504148832.db2.gz NOGYAVJBASWWAT-IRXDYDNUSA-N 0 3 354.498 3.495 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CCOCC2)[C@@H]1C ZINC000544546635 504169035 /nfs/dbraw/zinc/16/90/35/504169035.db2.gz BQFGSTKCIXTLMV-KQNFGGRRSA-N 0 3 361.530 3.197 20 30 FGEDHN CS[C@@H]1CN(c2cc(C)c(C#N)c3nc4ccccc4n32)C[C@@H]1N(C)C ZINC000534657608 504206241 /nfs/dbraw/zinc/20/62/41/504206241.db2.gz ARDLPAILAHGCAU-ZWKOTPCHSA-N 0 3 365.506 3.149 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc([C@@H](C)c3ccccc3)n[nH]2)CC1 ZINC000528448028 504228954 /nfs/dbraw/zinc/22/89/54/504228954.db2.gz JSKYOCUKGIQEDM-INIZCTEOSA-N 0 3 352.482 3.332 20 30 FGEDHN C[C@@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000538397167 504234444 /nfs/dbraw/zinc/23/44/44/504234444.db2.gz SIFXMSGILPHFKO-APWZRJJASA-N 0 3 354.523 3.259 20 30 FGEDHN C[C@]1(c2cccc(F)c2)CCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528534052 504263819 /nfs/dbraw/zinc/26/38/19/504263819.db2.gz LOGFGFVKQOTWJD-FPOVZHCZSA-N 0 3 354.425 3.101 20 30 FGEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)COC2 ZINC000541882242 504289319 /nfs/dbraw/zinc/28/93/19/504289319.db2.gz SUQYNQDEKCDKCH-VFNWGFHPSA-N 0 3 361.445 3.435 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC000541921495 504302706 /nfs/dbraw/zinc/30/27/06/504302706.db2.gz JVQDDDIODVBFMI-FXAWDEMLSA-N 0 3 354.498 3.375 20 30 FGEDHN CC[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CCN1Cc1ccccc1 ZINC000544928305 504303087 /nfs/dbraw/zinc/30/30/87/504303087.db2.gz XAHTXAPOFYRTNL-HXUWFJFHSA-N 0 3 359.477 3.302 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc2ccccc12 ZINC000519841002 504360795 /nfs/dbraw/zinc/36/07/95/504360795.db2.gz ITBWACQCAWIXQH-UHFFFAOYSA-N 0 3 361.445 3.437 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000545295905 504433587 /nfs/dbraw/zinc/43/35/87/504433587.db2.gz LWYKIJQFVPZIDM-UHFFFAOYSA-N 0 3 374.510 3.050 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000545295759 504434156 /nfs/dbraw/zinc/43/41/56/504434156.db2.gz YENQMXBPQJSJCT-GOSISDBHSA-N 0 3 364.449 3.353 20 30 FGEDHN CC1(C)C[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C(C)(C)O1 ZINC000528997006 504489007 /nfs/dbraw/zinc/48/90/07/504489007.db2.gz VMLARKQFDFJJSP-CABCVRRESA-N 0 3 362.857 3.259 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1C#N ZINC000529029575 504502807 /nfs/dbraw/zinc/50/28/07/504502807.db2.gz DFDRDMVXDXAZNT-SFHVURJKSA-N 0 3 356.470 3.484 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000539254394 504513850 /nfs/dbraw/zinc/51/38/50/504513850.db2.gz PWPPHUONUUWTHS-LRAJWGHMSA-N 0 3 370.497 3.129 20 30 FGEDHN C=CCOc1cccnc1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539358879 504540759 /nfs/dbraw/zinc/54/07/59/504540759.db2.gz ISMMONWVSXWHQF-LJQANCHMSA-N 0 3 365.477 3.241 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cccc(OCC)c2)CC1 ZINC000539391167 504553451 /nfs/dbraw/zinc/55/34/51/504553451.db2.gz LYTLPUDBKSDISY-WOJBJXKFSA-N 0 3 357.498 3.281 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000520781798 504580842 /nfs/dbraw/zinc/58/08/42/504580842.db2.gz ZNDKFXSQVSNJND-UHFFFAOYSA-N 0 3 364.877 3.223 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@@H](C)N2CCC(C)CC2)c(C#N)c(C)c1C ZINC000520869688 504600829 /nfs/dbraw/zinc/60/08/29/504600829.db2.gz UUJYJIRQQVLXFZ-CQSZACIVSA-N 0 3 374.554 3.207 20 30 FGEDHN C=CCn1c(CC2CC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000520896036 504606101 /nfs/dbraw/zinc/60/61/01/504606101.db2.gz DEBGTTOUGWKKDP-IBGZPJMESA-N 0 3 351.498 3.127 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000520990713 504624726 /nfs/dbraw/zinc/62/47/26/504624726.db2.gz DTKTVADMBAXILQ-CHWSQXEVSA-N 0 3 369.387 3.414 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)CC1CCCC1 ZINC000521191580 504674193 /nfs/dbraw/zinc/67/41/93/504674193.db2.gz ZEIWZTOLOLCCDD-UHFFFAOYSA-N 0 3 360.502 3.074 20 30 FGEDHN CCO[C@@H]1COCC[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000546054969 504691137 /nfs/dbraw/zinc/69/11/37/504691137.db2.gz BQFPTCZMFRWOMV-FGZHOGPDSA-N 0 3 366.461 3.421 20 30 FGEDHN C[C@@H](O)CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000532579695 504699376 /nfs/dbraw/zinc/69/93/76/504699376.db2.gz YLDCXPBQAOAOAH-OAHLLOKOSA-N 0 3 371.868 3.423 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(C)(N3CCOCC3)CC2)ccc1OC ZINC000529665476 504755632 /nfs/dbraw/zinc/75/56/32/504755632.db2.gz YIHJEAFWVOVMMF-UHFFFAOYSA-N 0 3 374.525 3.337 20 30 FGEDHN C=C(C)CN(CC)C(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000552855447 504776172 /nfs/dbraw/zinc/77/61/72/504776172.db2.gz LYHYXXRHXYLNBC-UHFFFAOYSA-N 0 3 358.482 3.241 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)COC2 ZINC000562351670 504791896 /nfs/dbraw/zinc/79/18/96/504791896.db2.gz VXIDLCHCABTGCB-QVKFZJNVSA-N 0 3 361.445 3.040 20 30 FGEDHN N#CCC1(CNC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000562382155 504802119 /nfs/dbraw/zinc/80/21/19/504802119.db2.gz AETZAWDZYZFAKY-JOCHJYFZSA-N 0 3 366.509 3.378 20 30 FGEDHN C=CCOCCN[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000559247823 504807563 /nfs/dbraw/zinc/80/75/63/504807563.db2.gz JDUCWXFDRJVLNV-WIYYLYMNSA-N 0 3 357.425 3.369 20 30 FGEDHN C[C@@H]1CN(CC2CCN(Cc3cn4ccccc4c3C#N)CC2)C[C@@H](C)O1 ZINC000549401093 504809842 /nfs/dbraw/zinc/80/98/42/504809842.db2.gz IMSGGGWSZOCVTA-QZTJIDSGSA-N 0 3 366.509 3.132 20 30 FGEDHN CC(C)C1CCC(N2CCN(c3nc4c(cc3C#N)COCC4)CC2)CC1 ZINC000565462266 504894203 /nfs/dbraw/zinc/89/42/03/504894203.db2.gz BXSQCKNLARMEJF-UHFFFAOYSA-N 0 3 368.525 3.363 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000565478761 504900061 /nfs/dbraw/zinc/90/00/61/504900061.db2.gz KZXLBKYVHXESPJ-WOJBJXKFSA-N 0 3 368.502 3.333 20 30 FGEDHN COc1ccc([C@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 ZINC000562703545 504915451 /nfs/dbraw/zinc/91/54/51/504915451.db2.gz KIKXVYCWBZEMPA-LEWJYISDSA-N 0 3 361.445 3.413 20 30 FGEDHN C=CC[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(I)cc1 ZINC000556607671 504919347 /nfs/dbraw/zinc/91/93/47/504919347.db2.gz APNHEWLHWXPQCF-VXGBXAGGSA-N 0 3 372.250 3.420 20 30 FGEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000565576122 504926615 /nfs/dbraw/zinc/92/66/15/504926615.db2.gz XFQVWQCNZMCWEO-CQSZACIVSA-N 0 3 372.446 3.482 20 30 FGEDHN CSc1ccc([C@@H](CNCc2cnc3ccc(C#N)cn23)N(C)C)cc1 ZINC000562773577 504940857 /nfs/dbraw/zinc/94/08/57/504940857.db2.gz XWJKPKKAAJDSKI-LJQANCHMSA-N 0 3 365.506 3.320 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000565651843 504949789 /nfs/dbraw/zinc/94/97/89/504949789.db2.gz OGIKTFVVHKJGLO-NIYFSFCBSA-N 0 3 369.490 3.095 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000565674256 504955061 /nfs/dbraw/zinc/95/50/61/504955061.db2.gz JDMQKBCKQAGORD-MHYXUVESSA-N 0 3 369.509 3.150 20 30 FGEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000562909348 504984497 /nfs/dbraw/zinc/98/44/97/504984497.db2.gz CLXQPQILKOTVOE-HNNXBMFYSA-N 0 3 365.437 3.303 20 30 FGEDHN Cc1cccc(C)c1OC[C@@H](C)NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000562986788 505011126 /nfs/dbraw/zinc/01/11/26/505011126.db2.gz RQXBOCUFHAGIRP-QUCCMNQESA-N 0 3 368.477 3.166 20 30 FGEDHN Cc1cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)ncc1C#N ZINC000562999563 505015731 /nfs/dbraw/zinc/01/57/31/505015731.db2.gz BVQDBARNVALYEI-UHFFFAOYSA-N 0 3 364.449 3.379 20 30 FGEDHN C=CCCCN(C)C(=O)C(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000553849731 505024719 /nfs/dbraw/zinc/02/47/19/505024719.db2.gz INSNDTDAJDQATJ-GOSISDBHSA-N 0 3 371.525 3.191 20 30 FGEDHN CC1CCC(N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)CC1 ZINC000563042490 505031058 /nfs/dbraw/zinc/03/10/58/505031058.db2.gz KTPSQJNITQJHNF-UHFFFAOYSA-N 0 3 354.498 3.159 20 30 FGEDHN COc1cc(C#N)ccc1CN(CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000563069231 505039348 /nfs/dbraw/zinc/03/93/48/505039348.db2.gz UVUREADAFKPTGX-UHFFFAOYSA-N 0 3 374.481 3.280 20 30 FGEDHN Cc1ccnc([C@@H]2CCN(CC#CCN3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018128 505056764 /nfs/dbraw/zinc/05/67/64/505056764.db2.gz VMIHISARXUTHCB-FGZHOGPDSA-N 0 3 374.532 3.376 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCc2cnc3c(C#N)cnn3c2)c1 ZINC000563150752 505060762 /nfs/dbraw/zinc/06/07/62/505060762.db2.gz QSFDYIWTUHGPIA-VQTJNVASSA-N 0 3 361.449 3.389 20 30 FGEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000560483894 505099981 /nfs/dbraw/zinc/09/99/81/505099981.db2.gz SICJVMANIYYFTA-KRWDZBQOSA-N 0 3 350.528 3.320 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000560540600 505119981 /nfs/dbraw/zinc/11/99/81/505119981.db2.gz QXOHRMNZANXDKH-HMXCVIKNSA-N 0 3 363.461 3.438 20 30 FGEDHN C=C[C@](C)(CC)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000557564725 505168875 /nfs/dbraw/zinc/16/88/75/505168875.db2.gz FOOWSIRFALPOMA-RBBKRZOGSA-N 0 3 355.526 3.007 20 30 FGEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000557594036 505177895 /nfs/dbraw/zinc/17/78/95/505177895.db2.gz LBQVWIAJMIRGNH-IVZHQMGZSA-N 0 3 354.425 3.350 20 30 FGEDHN CCN(CC)[C@@H](CNc1ccc(C(=O)OC)nc1C#N)c1ccsc1 ZINC000566478755 505186267 /nfs/dbraw/zinc/18/62/67/505186267.db2.gz RNDRIKFZAWCRAG-KRWDZBQOSA-N 0 3 358.467 3.296 20 30 FGEDHN C[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN(C2CCC2)C1 ZINC000557832871 505240868 /nfs/dbraw/zinc/24/08/68/505240868.db2.gz FHFWFYZVVGMQTI-OAHLLOKOSA-N 0 3 357.473 3.308 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CC(=O)N(c3c(F)cccc3F)C1)CC2 ZINC000566766783 505267114 /nfs/dbraw/zinc/26/71/14/505267114.db2.gz FXKAVFMIGRTVMD-KBXCAEBGSA-N 0 3 353.372 3.219 20 30 FGEDHN C[C@@H](OCCCNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000563927498 505278226 /nfs/dbraw/zinc/27/82/26/505278226.db2.gz ICTYPGVMMDVMMU-QGZVFWFLSA-N 0 3 372.490 3.089 20 30 FGEDHN COc1cc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccn1 ZINC000563929746 505278899 /nfs/dbraw/zinc/27/88/99/505278899.db2.gz MJBMFMSWLIFTHW-YOEHRIQHSA-N 0 3 354.429 3.421 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000561259167 505296355 /nfs/dbraw/zinc/29/63/55/505296355.db2.gz LWRAPVGTIJJJMG-DOTOQJQBSA-N 0 3 354.372 3.065 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000561373152 505329148 /nfs/dbraw/zinc/32/91/48/505329148.db2.gz YTUNTQKPHWHKKT-UTKZUKDTSA-N 0 3 359.473 3.369 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@H]2c3ccccc3CCN2C1=O)C(C)C ZINC000558227544 505339124 /nfs/dbraw/zinc/33/91/24/505339124.db2.gz OOVBZWGQZAHZAK-WOJBJXKFSA-N 0 3 367.493 3.247 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567431575 505460603 /nfs/dbraw/zinc/46/06/03/505460603.db2.gz RDXHUFQOICJSNJ-GDIGMMSISA-N 0 3 365.468 3.113 20 30 FGEDHN CCOC(=O)C1CCC(N(CC)CC(=O)Nc2sccc2C#N)CC1 ZINC000558749303 505482327 /nfs/dbraw/zinc/48/23/27/505482327.db2.gz VLANFCBIHXQROZ-UHFFFAOYSA-N 0 3 363.483 3.002 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000552485920 505501270 /nfs/dbraw/zinc/50/12/70/505501270.db2.gz SBHWRUCXDLAMGL-FQEVSTJZSA-N 0 3 364.493 3.493 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)CC2 ZINC000562102965 505518592 /nfs/dbraw/zinc/51/85/92/505518592.db2.gz JXWYADZTWZIZFL-NVXWUHKLSA-N 0 3 365.399 3.469 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558973250 505542353 /nfs/dbraw/zinc/54/23/53/505542353.db2.gz OYTUAGUBXQHOJK-KSSFIOAISA-N 0 3 371.868 3.398 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000558998568 505548218 /nfs/dbraw/zinc/54/82/18/505548218.db2.gz SGOBULXTLOIBGQ-SFHVURJKSA-N 0 3 357.502 3.009 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)Nc2cccc3cc[nH]c32)cc1 ZINC000562265298 505556286 /nfs/dbraw/zinc/55/62/86/505556286.db2.gz DGIPFYCTKFICHJ-GFCCVEGCSA-N 0 3 368.418 3.498 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)CN1Cc1ccccc1 ZINC000567776730 505562093 /nfs/dbraw/zinc/56/20/93/505562093.db2.gz LWOURISHYZRJKL-YLJYHZDGSA-N 0 3 354.498 3.375 20 30 FGEDHN COc1cc(CN(C)[C@H](C)CCO)ccc1OCc1cccc(C#N)c1 ZINC000593107355 506396321 /nfs/dbraw/zinc/39/63/21/506396321.db2.gz CUVOBXMIYYOZSO-MRXNPFEDSA-N 0 3 354.450 3.349 20 30 FGEDHN C=CCC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000588965344 506398276 /nfs/dbraw/zinc/39/82/76/506398276.db2.gz NOOKFWOECHQFHW-SFHVURJKSA-N 0 3 355.463 3.024 20 30 FGEDHN CCOc1ccccc1[C@H](CC)NC[C@H](O)COc1ccccc1C#N ZINC000599351103 506423908 /nfs/dbraw/zinc/42/39/08/506423908.db2.gz XJMCNKKRQQKMJO-HKUYNNGSSA-N 0 3 354.450 3.438 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000612100059 506434477 /nfs/dbraw/zinc/43/44/77/506434477.db2.gz PULDEBVLBAEZAE-NRFANRHFSA-N 0 3 354.498 3.029 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2Cc2cc(F)ccc2F)CCOCC1 ZINC000599439331 506456825 /nfs/dbraw/zinc/45/68/25/506456825.db2.gz OLKDIHWLBCKOCA-QZTJIDSGSA-N 0 3 364.436 3.043 20 30 FGEDHN CC1(C)C[C@H](N(Cc2ccccc2)C[C@H](O)CC2(C#N)CCOCC2)CO1 ZINC000599462290 506464233 /nfs/dbraw/zinc/46/42/33/506464233.db2.gz OHDKWFLWIMBASV-VQTJNVASSA-N 0 3 372.509 3.127 20 30 FGEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599581835 506509060 /nfs/dbraw/zinc/50/90/60/506509060.db2.gz KOAZMSZRXNYENX-DLBZAZTESA-N 0 3 350.503 3.387 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591550 506517348 /nfs/dbraw/zinc/51/73/48/506517348.db2.gz VOTMTFZDKOSOGH-CRAIPNDOSA-N 0 3 371.481 3.187 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590851 506517619 /nfs/dbraw/zinc/51/76/19/506517619.db2.gz RPYFXVHGDGJZMB-CRAIPNDOSA-N 0 3 371.481 3.187 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1F ZINC000596675793 506525911 /nfs/dbraw/zinc/52/59/11/506525911.db2.gz ZYXYVJRSAKZGAX-IBGZPJMESA-N 0 3 355.388 3.403 20 30 FGEDHN COc1ccc([C@@H](NCCC(=O)Nc2ccccc2C#N)C2CC2)cn1 ZINC000599699858 506589362 /nfs/dbraw/zinc/58/93/62/506589362.db2.gz MWAYRYMXMIQRPH-FQEVSTJZSA-N 0 3 350.422 3.031 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593390565 506594795 /nfs/dbraw/zinc/59/47/95/506594795.db2.gz LKFROLRXRHHEEP-KKSFZXQISA-N 0 3 360.461 3.104 20 30 FGEDHN CCCN(CCN1CCCCCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000589638002 506615501 /nfs/dbraw/zinc/61/55/01/506615501.db2.gz QYYRLFVWVVPUQL-UHFFFAOYSA-N 0 3 360.477 3.495 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000596844216 506632678 /nfs/dbraw/zinc/63/26/78/506632678.db2.gz KINMEPNRWARLJL-QGZVFWFLSA-N 0 3 374.485 3.413 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC3(CC3)CC2)cc1 ZINC000599794402 506641315 /nfs/dbraw/zinc/64/13/15/506641315.db2.gz ZUKMSOSOBBCJRZ-AWEZNQCLSA-N 0 3 361.467 3.170 20 30 FGEDHN CC[C@H](C#N)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593540383 506678195 /nfs/dbraw/zinc/67/81/95/506678195.db2.gz ULVSZHFNWPSABN-QZTJIDSGSA-N 0 3 351.454 3.127 20 30 FGEDHN CC[C@@H](C#N)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000593540384 506678572 /nfs/dbraw/zinc/67/85/72/506678572.db2.gz ULVSZHFNWPSABN-ROUUACIJSA-N 0 3 351.454 3.127 20 30 FGEDHN Cc1cc(-n2ccnc2)ccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590003963 506702710 /nfs/dbraw/zinc/70/27/10/506702710.db2.gz XOWIVVIWISEQIG-HXUWFJFHSA-N 0 3 359.433 3.101 20 30 FGEDHN COc1ccccc1[C@H]1CCCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609046735 506767365 /nfs/dbraw/zinc/76/73/65/506767365.db2.gz VJKKUBIKJPTEFQ-WIYYLYMNSA-N 0 3 366.461 3.338 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000609078106 506771380 /nfs/dbraw/zinc/77/13/80/506771380.db2.gz VWHKDRIKNAQGKJ-QGZVFWFLSA-N 0 3 357.498 3.296 20 30 FGEDHN Cc1nc(SCC(=O)Nc2ccc3c(c2)CNC3)c(C#N)c(C)c1C ZINC000593906264 506827883 /nfs/dbraw/zinc/82/78/83/506827883.db2.gz JGJWPQNZDYYZPI-UHFFFAOYSA-N 0 3 352.463 3.213 20 30 FGEDHN C[C@@]12COC[C@]1(C)CN(Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000597197820 506831286 /nfs/dbraw/zinc/83/12/86/506831286.db2.gz ZEWLNCGPKIWIMW-OYRHEFFESA-N 0 3 350.466 3.322 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccnn1CCN(C)C ZINC000590519218 506845658 /nfs/dbraw/zinc/84/56/58/506845658.db2.gz VAJYAGAFYQBEFC-UHFFFAOYSA-N 0 3 353.451 3.092 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)Nc3ccc4c(c3)OCO4)CCC2)cc1 ZINC000594032636 506895833 /nfs/dbraw/zinc/89/58/33/506895833.db2.gz KLXMVQWCPONSSH-UHFFFAOYSA-N 0 3 363.417 3.285 20 30 FGEDHN N#CC1(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CCCCC1 ZINC000609531099 506910897 /nfs/dbraw/zinc/91/08/97/506910897.db2.gz FDPIKOCUVOFADO-UHFFFAOYSA-N 0 3 355.482 3.251 20 30 FGEDHN CCC(C)(C)N1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000594067052 506918590 /nfs/dbraw/zinc/91/85/90/506918590.db2.gz YFSPSAVJGIPOEL-UHFFFAOYSA-N 0 3 366.412 3.498 20 30 FGEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)N(CC)CC ZINC000613130728 506932159 /nfs/dbraw/zinc/93/21/59/506932159.db2.gz DELYWBNYGUHPCG-HUUCEWRRSA-N 0 3 352.276 3.250 20 30 FGEDHN CN1CC[C@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000583743345 506948693 /nfs/dbraw/zinc/94/86/93/506948693.db2.gz IDWVSSUNRFZFCF-ICSRJNTNSA-N 0 3 368.868 3.185 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)C(C#N)CCc3ccccc3)CCOCC2)cc1 ZINC000600477336 506965537 /nfs/dbraw/zinc/96/55/37/506965537.db2.gz LAJLMTOOLIBTRZ-FQEVSTJZSA-N 0 3 373.456 3.453 20 30 FGEDHN N#CCCn1cc(CN2CC[C@H](c3cccnc3)C2)c(-c2ccncc2)n1 ZINC000583813325 506988620 /nfs/dbraw/zinc/98/86/20/506988620.db2.gz KTQLNMQEVPESOQ-IBGZPJMESA-N 0 3 358.449 3.243 20 30 FGEDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609877939 507035520 /nfs/dbraw/zinc/03/55/20/507035520.db2.gz QPCZHTRXJPAULT-KRWDZBQOSA-N 0 3 367.449 3.334 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000594239521 507035629 /nfs/dbraw/zinc/03/56/29/507035629.db2.gz JBKNXHDJGUJXET-LJQANCHMSA-N 0 3 360.461 3.106 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNC[C@H](O)C2CCOCC2)c1 ZINC000609919234 507049988 /nfs/dbraw/zinc/04/99/88/507049988.db2.gz RLFUOHNCMZMGHQ-QFIPXVFZSA-N 0 3 366.461 3.014 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594281575 507059882 /nfs/dbraw/zinc/05/98/82/507059882.db2.gz DLOAWDFXQUBLLT-PMACEKPBSA-N 0 3 354.498 3.497 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)N[C@H]3CCCN4CCCC[C@H]34)CCC2)cc1 ZINC000594284025 507063066 /nfs/dbraw/zinc/06/30/66/507063066.db2.gz PYFGLLJQTVJIEI-RBUKOAKNSA-N 0 3 352.482 3.254 20 30 FGEDHN COc1ccc(Oc2cc(CNC[C@H](O)CC3(C#N)CC3)ccn2)cc1 ZINC000600718393 507080207 /nfs/dbraw/zinc/08/02/07/507080207.db2.gz XDPUDMNHZKJRPT-MRXNPFEDSA-N 0 3 353.422 3.027 20 30 FGEDHN CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000613427652 507081332 /nfs/dbraw/zinc/08/13/32/507081332.db2.gz KQWBOBPCWAVXJV-GOSISDBHSA-N 0 3 356.514 3.332 20 30 FGEDHN CC1(C)C[C@@H](NC[C@H](O)CC2(C#N)CCOCC2)c2ccc(F)cc2O1 ZINC000600724514 507083106 /nfs/dbraw/zinc/08/31/06/507083106.db2.gz AJYVTBCFDHDAMQ-NVXWUHKLSA-N 0 3 362.445 3.089 20 30 FGEDHN CC[C@@H](CNC[C@H](O)COc1ccccc1C#N)Oc1cccc(C)c1 ZINC000600725454 507084534 /nfs/dbraw/zinc/08/45/34/507084534.db2.gz CAFLMZLIYNAWKQ-OALUTQOASA-N 0 3 354.450 3.054 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000594361044 507092355 /nfs/dbraw/zinc/09/23/55/507092355.db2.gz MWZWTSMMXQSYBZ-YWZLYKJASA-N 0 3 353.441 3.295 20 30 FGEDHN COc1ccc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000591053749 507093933 /nfs/dbraw/zinc/09/39/33/507093933.db2.gz KLUSRUZNLCHMMA-QGZVFWFLSA-N 0 3 374.868 3.286 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000610132769 507109956 /nfs/dbraw/zinc/10/99/56/507109956.db2.gz CHZDPXVVNJDMQO-KDURUIRLSA-N 0 3 363.461 3.014 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594410880 507119794 /nfs/dbraw/zinc/11/97/94/507119794.db2.gz FJBNHGNSNVCKLZ-ARFHVFGLSA-N 0 3 354.372 3.375 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594420398 507124528 /nfs/dbraw/zinc/12/45/28/507124528.db2.gz STUCEJYPUYPBLS-WMZOPIPTSA-N 0 3 370.522 3.299 20 30 FGEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594427032 507127173 /nfs/dbraw/zinc/12/71/73/507127173.db2.gz HAOPIXDZTYEJJL-HNNXBMFYSA-N 0 3 366.303 3.254 20 30 FGEDHN CCOC(=O)c1cc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2s1 ZINC000594427193 507127576 /nfs/dbraw/zinc/12/75/76/507127576.db2.gz GSCMEUPWYQSOEV-AWEZNQCLSA-N 0 3 359.451 3.428 20 30 FGEDHN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594427844 507127685 /nfs/dbraw/zinc/12/76/85/507127685.db2.gz KEVUUSAWLWQYHX-GFCCVEGCSA-N 0 3 356.348 3.014 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000594435819 507130991 /nfs/dbraw/zinc/13/09/91/507130991.db2.gz ABRNMWIPQYYBQE-ROUUACIJSA-N 0 3 351.454 3.159 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000594435818 507131011 /nfs/dbraw/zinc/13/10/11/507131011.db2.gz ABRNMWIPQYYBQE-QZTJIDSGSA-N 0 3 351.454 3.159 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000594432235 507131712 /nfs/dbraw/zinc/13/17/12/507131712.db2.gz ZYUXJTOEGIFGTN-HNNXBMFYSA-N 0 3 364.421 3.362 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000594438388 507132810 /nfs/dbraw/zinc/13/28/10/507132810.db2.gz NDPQDTRLGYPMTH-IRXDYDNUSA-N 0 3 367.453 3.201 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000594439429 507132911 /nfs/dbraw/zinc/13/29/11/507132911.db2.gz VWWSOTXQDGFZQT-KRWDZBQOSA-N 0 3 356.401 3.040 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000594438747 507133189 /nfs/dbraw/zinc/13/31/89/507133189.db2.gz LGRPARHUFXZRSK-AEFFLSMTSA-N 0 3 356.857 3.352 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000594439289 507133524 /nfs/dbraw/zinc/13/35/24/507133524.db2.gz PLBBCUJSNIJJCX-SFHVURJKSA-N 0 3 361.449 3.053 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000594441223 507136056 /nfs/dbraw/zinc/13/60/56/507136056.db2.gz OYXMBOOJLGRSTI-YLJYHZDGSA-N 0 3 361.449 3.180 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000594441223 507136060 /nfs/dbraw/zinc/13/60/60/507136060.db2.gz OYXMBOOJLGRSTI-YLJYHZDGSA-N 0 3 361.449 3.180 20 30 FGEDHN CC1CCN([C@H](CNC(=O)[C@@H](N)CCCCC#N)c2cccs2)CC1 ZINC000594446837 507137682 /nfs/dbraw/zinc/13/76/82/507137682.db2.gz XSTMSLHMEVTCHO-DLBZAZTESA-N 0 3 362.543 3.049 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000594455589 507141393 /nfs/dbraw/zinc/14/13/93/507141393.db2.gz ZXUWGQWTTAVPIX-GOSISDBHSA-N 0 3 354.429 3.334 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000600897057 507166466 /nfs/dbraw/zinc/16/64/66/507166466.db2.gz OZIYOQWXCWWYQX-FQEVSTJZSA-N 0 3 365.477 3.325 20 30 FGEDHN C[C@@H](NC(=O)Nc1cccc(OCCN(C)C)c1)c1cccc(C#N)c1 ZINC000610320893 507193305 /nfs/dbraw/zinc/19/33/05/507193305.db2.gz AGDUVAGUULHPHR-OAHLLOKOSA-N 0 3 352.438 3.381 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000584251733 507236724 /nfs/dbraw/zinc/23/67/24/507236724.db2.gz FQNKMFRDERKSST-MAUKXSAKSA-N 0 3 351.450 3.428 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433596 507237824 /nfs/dbraw/zinc/23/78/24/507237824.db2.gz WIKBXDSFMQDIRZ-DYESRHJHSA-N 0 3 362.477 3.092 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)COc1ccc(C#N)cc1 ZINC000610446075 507243838 /nfs/dbraw/zinc/24/38/38/507243838.db2.gz PBJNLRDFWMLZRN-SFHVURJKSA-N 0 3 363.461 3.060 20 30 FGEDHN C=CCCCN(C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000605738773 507280682 /nfs/dbraw/zinc/28/06/82/507280682.db2.gz RZYWINUOMNCZQG-UHFFFAOYSA-N 0 3 369.431 3.252 20 30 FGEDHN CCNC(=O)COc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594925171 507317847 /nfs/dbraw/zinc/31/78/47/507317847.db2.gz LWSFRDLMQWACCT-UHFFFAOYSA-N 0 3 363.461 3.046 20 30 FGEDHN N#CC1(c2ccc(CN[C@H]3CCN(Cc4ccc(F)cc4)C3=O)cc2)CC1 ZINC000594938295 507322046 /nfs/dbraw/zinc/32/20/46/507322046.db2.gz MDEWOYJEYGZZJT-FQEVSTJZSA-N 0 3 363.436 3.272 20 30 FGEDHN Cn1ncc(C2CCC2)c1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000594947906 507326024 /nfs/dbraw/zinc/32/60/24/507326024.db2.gz IVZPJISUDZGLPC-UHFFFAOYSA-N 0 3 363.509 3.313 20 30 FGEDHN COCCOc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594984630 507341436 /nfs/dbraw/zinc/34/14/36/507341436.db2.gz PAHKYJYSSAFBIS-UHFFFAOYSA-N 0 3 366.461 3.379 20 30 FGEDHN CCC[C@H](Cc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000591733579 507343444 /nfs/dbraw/zinc/34/34/44/507343444.db2.gz KPQROLOWKWSGAZ-LJQANCHMSA-N 0 3 356.491 3.333 20 30 FGEDHN CC(C)(CNCc1ccc(C#N)cc1C(F)(F)F)[C@]1(O)CCCOC1 ZINC000594996492 507346782 /nfs/dbraw/zinc/34/67/82/507346782.db2.gz NVGYJTLWWYHKQS-KRWDZBQOSA-N 0 3 356.388 3.234 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000591764042 507351976 /nfs/dbraw/zinc/35/19/76/507351976.db2.gz TWSRLNJRKHAGFT-HKUYNNGSSA-N 0 3 372.465 3.397 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000591768645 507354390 /nfs/dbraw/zinc/35/43/90/507354390.db2.gz JZXKHQMMXGUTMF-SAABIXHNSA-N 0 3 358.438 3.007 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000610722139 507364631 /nfs/dbraw/zinc/36/46/31/507364631.db2.gz MILJCNRIWRMBLK-AABGKKOBSA-N 0 3 354.498 3.342 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000595251130 507440075 /nfs/dbraw/zinc/44/00/75/507440075.db2.gz YJCBYUVCWGLXNC-IBGZPJMESA-N 0 3 351.406 3.344 20 30 FGEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584708385 507464729 /nfs/dbraw/zinc/46/47/29/507464729.db2.gz UCLISEUBGPPBTI-CALCHBBNSA-N 0 3 373.545 3.057 20 30 FGEDHN C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000601849989 507486958 /nfs/dbraw/zinc/48/69/58/507486958.db2.gz AXUDRAVJTIMWAW-NQIIRXRSSA-N 0 3 354.425 3.008 20 30 FGEDHN N#Cc1ccc(CCN(CCO)Cc2cc(Br)cs2)cc1 ZINC000595455315 507507932 /nfs/dbraw/zinc/50/79/32/507507932.db2.gz SDCUHXBWMDVOCW-UHFFFAOYSA-N 0 3 365.296 3.419 20 30 FGEDHN CC(C)(C)OC(=O)C1(C)CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000592156858 507513253 /nfs/dbraw/zinc/51/32/53/507513253.db2.gz BYBORUQKIGUVMU-UHFFFAOYSA-N 0 3 371.481 3.331 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592185435 507527922 /nfs/dbraw/zinc/52/79/22/507527922.db2.gz ZEZQOFRGFLZWEU-UISNHOIMSA-N 0 3 361.530 3.197 20 30 FGEDHN CN1CC[C@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000611162121 507540679 /nfs/dbraw/zinc/54/06/79/507540679.db2.gz WMVXQFDSMDYAKB-BHDDXSALSA-N 0 3 374.488 3.089 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000595542813 507552192 /nfs/dbraw/zinc/55/21/92/507552192.db2.gz OWNLGAULUCVWCS-RLLQIKCJSA-N 0 3 354.498 3.375 20 30 FGEDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000611205326 507561825 /nfs/dbraw/zinc/56/18/25/507561825.db2.gz VAIORIVFXRKFPB-MOPGFXCFSA-N 0 3 357.498 3.297 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000598713391 507565059 /nfs/dbraw/zinc/56/50/59/507565059.db2.gz BOBVPBSZNNWMHW-HXUWFJFHSA-N 0 3 364.493 3.035 20 30 FGEDHN N#Cc1c(F)cccc1N1CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000611260545 507587753 /nfs/dbraw/zinc/58/77/53/507587753.db2.gz FVJKNORWBWGODU-INIZCTEOSA-N 0 3 351.425 3.386 20 30 FGEDHN CC(C)(NCCCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000595635884 507605227 /nfs/dbraw/zinc/60/52/27/507605227.db2.gz OCHDFWJPXGCALZ-UHFFFAOYSA-N 0 3 372.490 3.256 20 30 FGEDHN Cc1sc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c(C#N)c1C ZINC000598800828 507606649 /nfs/dbraw/zinc/60/66/49/507606649.db2.gz BJUHWLKHVHNNGS-JQWIXIFHSA-N 0 3 362.373 3.159 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccccc2)[C@@H]1SC ZINC000592376184 507625767 /nfs/dbraw/zinc/62/57/67/507625767.db2.gz VZOGUSDVUNLSMP-GGPKGHCWSA-N 0 3 370.522 3.462 20 30 FGEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399066 507640306 /nfs/dbraw/zinc/64/03/06/507640306.db2.gz KUPXSNHPVFXQTC-CQSZACIVSA-N 0 3 356.403 3.062 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000607183356 507648460 /nfs/dbraw/zinc/64/84/60/507648460.db2.gz DLVGOCOPAUPMOL-XJKSGUPXSA-N 0 3 351.853 3.285 20 30 FGEDHN CC[C@@H](CNCc1cnc2c(C#N)cnn2c1)Oc1ccccc1Cl ZINC000592503590 507684537 /nfs/dbraw/zinc/68/45/37/507684537.db2.gz HVLCYGIXSVEJME-HNNXBMFYSA-N 0 3 355.829 3.202 20 30 FGEDHN CCCCN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CCc2ncsc2C1 ZINC000592528298 507696089 /nfs/dbraw/zinc/69/60/89/507696089.db2.gz HTGMNGAFSFNIGI-INIZCTEOSA-N 0 3 366.494 3.217 20 30 FGEDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C#N)CCc1ccccc1 ZINC000586865702 507696883 /nfs/dbraw/zinc/69/68/83/507696883.db2.gz HRWLSPIXJWBDDX-GOSISDBHSA-N 0 3 351.406 3.368 20 30 FGEDHN CS[C@H]1CN(c2c(C#N)cnc3c(F)ccc(F)c32)C[C@H]1N1CCCC1 ZINC000614977697 507712424 /nfs/dbraw/zinc/71/24/24/507712424.db2.gz CRZPGMGZEVRQBH-CVEARBPZSA-N 0 3 374.460 3.401 20 30 FGEDHN N#Cc1cccnc1OC1CCC(NCc2nc3c(s2)CCC3)CC1 ZINC000614993329 507716242 /nfs/dbraw/zinc/71/62/42/507716242.db2.gz CKMWNXQZLDPZDT-UHFFFAOYSA-N 0 3 354.479 3.378 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)Nc1ccccc1CN1CCC(CO)CC1 ZINC000602489737 507724173 /nfs/dbraw/zinc/72/41/73/507724173.db2.gz OCBZLLSNWSUITA-SFHVURJKSA-N 0 3 371.525 3.402 20 30 FGEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)CC1(C#N)CCOCC1 ZINC000602492294 507726015 /nfs/dbraw/zinc/72/60/15/507726015.db2.gz GEGVYJXEIXQJGX-SFHVURJKSA-N 0 3 356.514 3.258 20 30 FGEDHN N#Cc1cccc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)n1 ZINC000602549061 507745608 /nfs/dbraw/zinc/74/56/08/507745608.db2.gz BKJOMKHHHLUGDO-HNNXBMFYSA-N 0 3 362.355 3.220 20 30 FGEDHN CN(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602550372 507745689 /nfs/dbraw/zinc/74/56/89/507745689.db2.gz BKDAPWAYPOKVNZ-JKSUJKDBSA-N 0 3 371.312 3.124 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000602547803 507746677 /nfs/dbraw/zinc/74/66/77/507746677.db2.gz PEXACTDFEURLMY-WMLDXEAASA-N 0 3 351.441 3.256 20 30 FGEDHN CC[C@H](CSC)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328639260 522267923 /nfs/dbraw/zinc/26/79/23/522267923.db2.gz WUZQRAMAELJWKS-BBWFWOEESA-N 0 3 350.532 3.062 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNc2ccc3ccccc3n2)cc1 ZINC000472206371 561021099 /nfs/dbraw/zinc/02/10/99/561021099.db2.gz JTTAGYNSFIHJFF-IBGZPJMESA-N 0 3 369.428 3.017 20 30 FGEDHN C=CC[N@H+](CCc1ccc2c(c1)CCO2)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743837 599566110 /nfs/dbraw/zinc/56/61/10/599566110.db2.gz QTTNPYXYXDLMKC-UHFFFAOYSA-N 0 3 361.449 3.032 20 30 FGEDHN C=CC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743837 599566111 /nfs/dbraw/zinc/56/61/11/599566111.db2.gz QTTNPYXYXDLMKC-UHFFFAOYSA-N 0 3 361.449 3.032 20 30 FGEDHN C=CC[N@H+](CCc1ccc2c(c1)CCO2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819743837 599566113 /nfs/dbraw/zinc/56/61/13/599566113.db2.gz QTTNPYXYXDLMKC-UHFFFAOYSA-N 0 3 361.449 3.032 20 30 FGEDHN C=CC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819743837 599566114 /nfs/dbraw/zinc/56/61/14/599566114.db2.gz QTTNPYXYXDLMKC-UHFFFAOYSA-N 0 3 361.449 3.032 20 30 FGEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000041520331 695763284 /nfs/dbraw/zinc/76/32/84/695763284.db2.gz LLKPBCPAOBVBBK-ZDUSSCGKSA-N 0 3 356.407 3.450 20 30 FGEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000051534126 695913438 /nfs/dbraw/zinc/91/34/38/695913438.db2.gz UUGIIPFKPSAPCI-AAEUAGOBSA-N 0 3 369.475 3.296 20 30 FGEDHN CN(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cc(Cl)n1 ZINC000113650769 700573658 /nfs/dbraw/zinc/57/36/58/700573658.db2.gz GNNMIPZZGYKRKP-GFCCVEGCSA-N 0 3 353.813 3.178 20 30 FGEDHN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000115904945 700588473 /nfs/dbraw/zinc/58/84/73/700588473.db2.gz ILXNKZGLTSTAKK-AWEZNQCLSA-N 0 3 359.172 3.221 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C[C@@H]1CCCCO1 ZINC000120007687 700645594 /nfs/dbraw/zinc/64/55/94/700645594.db2.gz IFJOKIZDMZQAOE-STQMWFEESA-N 0 3 364.829 3.264 20 30 FGEDHN N#CC(C(=O)CSc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC000124670387 700723231 /nfs/dbraw/zinc/72/32/31/700723231.db2.gz SWDSQPKSHQCBTF-NSHDSACASA-N 0 3 357.262 3.417 20 30 FGEDHN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125134916 700730835 /nfs/dbraw/zinc/73/08/35/700730835.db2.gz LBGHJSZJRGWQSN-JSGCOSHPSA-N 0 3 357.797 3.158 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCOCC1 ZINC000126583268 700750149 /nfs/dbraw/zinc/75/01/49/700750149.db2.gz HGPGDVQBFVXVMX-ZDUSSCGKSA-N 0 3 354.378 3.075 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](OC)c2ccccc2Cl)CC1 ZINC000132528452 700828631 /nfs/dbraw/zinc/82/86/31/700828631.db2.gz ODMIGZLXIPFNEC-SFHVURJKSA-N 0 3 365.905 3.367 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCCOC1 ZINC000171035467 705371719 /nfs/dbraw/zinc/37/17/19/705371719.db2.gz XOVDBSSGDGBDKG-GXFFZTMASA-N 0 3 354.378 3.075 20 30 FGEDHN C=C(Br)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000175960506 705565839 /nfs/dbraw/zinc/56/58/39/705565839.db2.gz XRISCYKMAPNINV-OAHLLOKOSA-N 0 3 366.303 3.201 20 30 FGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(N3CCNC3=O)cc2)n1 ZINC000177744502 705637751 /nfs/dbraw/zinc/63/77/51/705637751.db2.gz FYGOZZJFUNGHRM-CQSZACIVSA-N 0 3 354.435 3.286 20 30 FGEDHN N#Cc1ccc(C2=CCN(C[C@@H](O)COCc3cccs3)CC2)cc1 ZINC000374300196 713911925 /nfs/dbraw/zinc/91/19/25/713911925.db2.gz DQAUNLCRKOXDRW-LJQANCHMSA-N 0 3 354.475 3.287 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000522833342 714207552 /nfs/dbraw/zinc/20/75/52/714207552.db2.gz XVFGJDRNKJKPRI-INIZCTEOSA-N 0 3 353.388 3.179 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)N1CCCC1 ZINC000523523967 714239336 /nfs/dbraw/zinc/23/93/36/714239336.db2.gz FMYBWRAVOHQKTH-ZDUSSCGKSA-N 0 3 356.388 3.484 20 30 FGEDHN CCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(C)(C)O ZINC000525110180 714319951 /nfs/dbraw/zinc/31/99/51/714319951.db2.gz VRNWIJZYMJGTCY-UHFFFAOYSA-N 0 3 351.878 3.070 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2C[C@@H](OCC)[C@H]2OC)cc1OC ZINC000628238908 716128172 /nfs/dbraw/zinc/12/81/72/716128172.db2.gz TVIYIYFVSPMFCX-KYJSFNMBSA-N 0 3 355.862 3.195 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCO[C@@H]1C ZINC000631013511 716546448 /nfs/dbraw/zinc/54/64/48/716546448.db2.gz XAMORTNGFRPZQP-CVEARBPZSA-N 0 3 350.532 3.010 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(C)cs1 ZINC000774056724 723853365 /nfs/dbraw/zinc/85/33/65/723853365.db2.gz YDUWNMVHHMDYBA-CYBMUJFWSA-N 0 3 357.435 3.130 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCO[C@@H]1CC1(F)F ZINC000657237057 719602869 /nfs/dbraw/zinc/60/28/69/719602869.db2.gz DASKBGSDYNQVAJ-CQSZACIVSA-N 0 3 372.485 3.009 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000781871762 724605130 /nfs/dbraw/zinc/60/51/30/724605130.db2.gz GCNKDLDZAVFHOZ-KRWDZBQOSA-N 0 3 356.363 3.065 20 30 FGEDHN N#Cc1c(Cl)ccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900525 721522337 /nfs/dbraw/zinc/52/23/37/721522337.db2.gz RUXPZUBPVKLLOE-HOCLYGCPSA-N 0 3 372.831 3.088 20 30 FGEDHN C#CC[C@H](COC)NCc1ccc(Br)c(Br)c1 ZINC000716933350 722417227 /nfs/dbraw/zinc/41/72/27/722417227.db2.gz HPFRGKNDYLLELZ-LLVKDONJSA-N 0 3 361.077 3.340 20 30 FGEDHN N#Cc1csc(CN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 ZINC000710034602 722413438 /nfs/dbraw/zinc/41/34/38/722413438.db2.gz IPDDCIBXMRGLJR-ZDUSSCGKSA-N 0 3 365.380 3.230 20 30 FGEDHN N#CC(C(=O)CSC[C@@H]1CCCCO1)C(=O)Nc1ccccc1Cl ZINC000727626625 722445786 /nfs/dbraw/zinc/44/57/86/722445786.db2.gz DQSDJLPDFHKTOA-QWHCGFSZSA-N 0 3 366.870 3.290 20 30 FGEDHN C#CCN(C[C@H]1CCOC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195306 722493682 /nfs/dbraw/zinc/49/36/82/722493682.db2.gz JJMJOUTYQMWODQ-CJNGLKHVSA-N 0 3 350.256 3.244 20 30 FGEDHN CC[C@H](O)[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733997920 722503276 /nfs/dbraw/zinc/50/32/76/722503276.db2.gz WKEYNLLTJVBCKB-BMFZPTHFSA-N 0 3 357.479 3.098 20 30 FGEDHN CC1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)CO1 ZINC000734485124 722507784 /nfs/dbraw/zinc/50/77/84/722507784.db2.gz AURILVVLLNMXFN-CYBMUJFWSA-N 0 3 357.479 3.362 20 30 FGEDHN C[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000755199079 722951263 /nfs/dbraw/zinc/95/12/63/722951263.db2.gz JEUYWEJEHKXLRI-HIFRSBDPSA-N 0 3 352.463 3.051 20 30 FGEDHN Oc1ccc(/C=N\C2CC(N3CCC(C(F)(F)F)CC3)C2)c(O)c1O ZINC000794833553 723548274 /nfs/dbraw/zinc/54/82/74/723548274.db2.gz NTCGFHUETPVWTK-NKVSQWTQSA-N 0 3 358.360 3.028 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCC(=O)CC1 ZINC000773975931 723844821 /nfs/dbraw/zinc/84/48/21/723844821.db2.gz OMWUFSYFPHHKTH-AWEZNQCLSA-N 0 3 366.389 3.408 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CCC(=O)CC1 ZINC000773979330 723845386 /nfs/dbraw/zinc/84/53/86/723845386.db2.gz ZWYCDSBDNLHPMJ-CQSZACIVSA-N 0 3 353.205 3.400 20 30 FGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCc1nc(C)cs1)c1ccccc1 ZINC000774260883 723875731 /nfs/dbraw/zinc/87/57/31/723875731.db2.gz SAPDJHOECJFHCH-JKSUJKDBSA-N 0 3 355.463 3.361 20 30 FGEDHN N#Cc1cccc(C2(NC[C@H](O)COCc3ccccc3Cl)CC2)c1 ZINC000775429613 723990701 /nfs/dbraw/zinc/99/07/01/723990701.db2.gz IXUGFMWFRYRBGB-SFHVURJKSA-N 0 3 356.853 3.368 20 30 FGEDHN C[C@@H](C#N)OCCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000801933749 724347646 /nfs/dbraw/zinc/34/76/46/724347646.db2.gz VOWZVNJIYGCEII-LBPRGKRZSA-N 0 3 353.825 3.058 20 30 FGEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000786537078 724987564 /nfs/dbraw/zinc/98/75/64/724987564.db2.gz QJRVBWBKSDUBLR-QGZVFWFLSA-N 0 3 356.809 3.053 20 30 FGEDHN C[C@H](Oc1ccccc1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536237 724987585 /nfs/dbraw/zinc/98/75/85/724987585.db2.gz ZSBUCQSWVJOGLX-GUYCJALGSA-N 0 3 356.809 3.133 20 30 FGEDHN C#C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc(Cl)cc1F ZINC000805364477 725067067 /nfs/dbraw/zinc/06/70/67/725067067.db2.gz MIAZDOJYLDRZPB-YJBOKZPZSA-N 0 3 363.864 3.470 20 30 FGEDHN CCC[C@@H](CCCS(C)(=O)=O)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000789405842 725127008 /nfs/dbraw/zinc/12/70/08/725127008.db2.gz SNADHGALWHONCU-UONOGXRCSA-N 0 3 362.451 3.245 20 30 FGEDHN N#CC(C(=O)Cn1cc(Cl)cn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000808979486 725221978 /nfs/dbraw/zinc/22/19/78/725221978.db2.gz JAJDDIAMBTUDLS-SNVBAGLBSA-N 0 3 371.611 3.191 20 30 FGEDHN C#C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(Cl)cc1 ZINC000810099573 725288600 /nfs/dbraw/zinc/28/86/00/725288600.db2.gz LHIVSZMCJKGNKI-SFHVURJKSA-N 0 3 362.882 3.054 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000813060164 726834491 /nfs/dbraw/zinc/83/44/91/726834491.db2.gz RKXNOSXGOLVTFL-PWSUYJOCSA-N 0 3 369.234 3.315 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000818599401 727315955 /nfs/dbraw/zinc/31/59/55/727315955.db2.gz OFVLDRQPUDTZAI-UHFFFAOYSA-N 0 3 363.820 3.127 20 30 FGEDHN COc1cc([C@@H](C)NCC(C)(C)CC#N)ccc1S(=O)(=O)C(F)F ZINC000840787411 730173811 /nfs/dbraw/zinc/17/38/11/730173811.db2.gz XQRBOSORLIUZSZ-LLVKDONJSA-N 0 3 360.426 3.282 20 30 FGEDHN FC(F)(F)CNC(=S)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841622637 730260432 /nfs/dbraw/zinc/26/04/32/730260432.db2.gz ZMYVISLNCBKMMH-OAHLLOKOSA-N 0 3 370.444 3.368 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H](CC(C)C)OC ZINC000842288055 730480778 /nfs/dbraw/zinc/48/07/78/730480778.db2.gz GOHQDHNXQMOPCN-BLLLJJGKSA-N 0 3 366.845 3.366 20 30 FGEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H](CC)CO1 ZINC000844388690 730711412 /nfs/dbraw/zinc/71/14/12/730711412.db2.gz VINZYKIGGJETHV-ZNMIVQPWSA-N 0 3 357.479 3.362 20 30 FGEDHN N#CC(C(=O)C[C@@H]1OCc2cc(Cl)ccc21)C(=O)NC1CCCCC1 ZINC000847624892 731071785 /nfs/dbraw/zinc/07/17/85/731071785.db2.gz YGQZADLROOFPFF-AEFFLSMTSA-N 0 3 360.841 3.459 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000848413851 731161984 /nfs/dbraw/zinc/16/19/84/731161984.db2.gz UGBURBBCFNWZDN-HNNXBMFYSA-N 0 3 366.918 3.243 20 30 FGEDHN O=[S@](CCNCc1ccc(F)c(C(F)(F)F)c1)CC(F)(F)F ZINC000850348358 731345848 /nfs/dbraw/zinc/34/58/48/731345848.db2.gz KHAUJGNZDNRFJP-JOCHJYFZSA-N 0 3 351.287 3.245 20 30 FGEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000850978457 731408379 /nfs/dbraw/zinc/40/83/79/731408379.db2.gz STLRLPMWTRTNRE-GBIKHYSHSA-N 0 3 352.221 3.429 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731471 731626737 /nfs/dbraw/zinc/62/67/37/731626737.db2.gz JURGQPKIWKCBCN-MOPGFXCFSA-N 0 3 352.906 3.412 20 30 FGEDHN CCN(C)Cc1cc(O[C@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553252 732037898 /nfs/dbraw/zinc/03/78/98/732037898.db2.gz LLVDYVNGYYUTTK-SFHVURJKSA-N 0 3 356.495 3.120 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@H]2CCCN(C(=O)OC)C2)cc1OC ZINC000858122230 732182827 /nfs/dbraw/zinc/18/28/27/732182827.db2.gz FCVWUADYDPNHDG-AWEZNQCLSA-N 0 3 368.861 3.234 20 30 FGEDHN C#CC[C@H](COC)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000858333768 732204393 /nfs/dbraw/zinc/20/43/93/732204393.db2.gz AOQBILGTACDFMT-MRXNPFEDSA-N 0 3 362.271 3.071 20 30 FGEDHN C#CC[C@@H](COC)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000858334541 732204792 /nfs/dbraw/zinc/20/47/92/732204792.db2.gz BCBRHCGZQKKJPZ-NSHDSACASA-N 0 3 366.177 3.476 20 30 FGEDHN C#C[C@H](CC)OC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000860663714 732550850 /nfs/dbraw/zinc/55/08/50/732550850.db2.gz SWOMGCYICCETOY-KZNAEPCWSA-N 0 3 354.475 3.314 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(OC(C)(C)C)CC2)CC1 ZINC000868221783 733572844 /nfs/dbraw/zinc/57/28/44/733572844.db2.gz MAWOBVGQADXFSO-UHFFFAOYSA-N 0 3 351.535 3.452 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(C3CC3)n2)cc1 ZINC000873498615 735770129 /nfs/dbraw/zinc/77/01/29/735770129.db2.gz XNDHMBLVRCRTEP-MRXNPFEDSA-N 0 3 353.447 3.473 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000876604969 736119369 /nfs/dbraw/zinc/11/93/69/736119369.db2.gz QQDKKQODRGLOCB-MRVPVSSYSA-N 0 3 356.703 3.298 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000876610049 736120466 /nfs/dbraw/zinc/12/04/66/736120466.db2.gz QYWWYADSEVLNHR-CQSZACIVSA-N 0 3 358.269 3.134 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000876611299 736120649 /nfs/dbraw/zinc/12/06/49/736120649.db2.gz BUGZGNMHMDCYEJ-CHWSQXEVSA-N 0 3 359.253 3.306 20 30 FGEDHN CC(C)(NCc1cccc(C#N)n1)[C@@H](O)c1ccc(Br)cc1 ZINC000877361625 736211502 /nfs/dbraw/zinc/21/15/02/736211502.db2.gz TXFLEIPYUWYJEM-INIZCTEOSA-N 0 3 360.255 3.318 20 30 FGEDHN C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1cc(C#N)cnc1Cl ZINC000877556196 736683155 /nfs/dbraw/zinc/68/31/55/736683155.db2.gz BPFQYZWNJZCJCC-LBPRGKRZSA-N 0 3 352.866 3.390 20 30 FGEDHN CN(Cc1cc(C#N)cnc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000877576262 736687205 /nfs/dbraw/zinc/68/72/05/736687205.db2.gz HGBYTDLPTYCBHO-UHFFFAOYSA-N 0 3 360.811 3.455 20 30 FGEDHN N#CCCn1cc(CN2CC[C@H]3CSC[C@H]3C2)c(-c2ccncc2)n1 ZINC000877740514 736712376 /nfs/dbraw/zinc/71/23/76/736712376.db2.gz VWFYGGBFUHTGAG-FUHWJXTLSA-N 0 3 353.495 3.044 20 30 FGEDHN C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1[O-] ZINC000879648477 737023103 /nfs/dbraw/zinc/02/31/03/737023103.db2.gz QRKQGGRSYRJQKT-GFCCVEGCSA-N 0 3 355.463 3.493 20 30 FGEDHN N#CCOc1ccc(Cl)cc1Cn1cc(CNC2CCCCC2)nn1 ZINC000881302732 737321866 /nfs/dbraw/zinc/32/18/66/737321866.db2.gz HTYRCABHFSWUQW-UHFFFAOYSA-N 0 3 359.861 3.304 20 30 FGEDHN Cc1ccc(-c2csc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)n2)s1 ZINC000884057528 737629464 /nfs/dbraw/zinc/62/94/64/737629464.db2.gz JIHWAFVZCACHGU-JKGQDXBKSA-N 0 3 358.492 3.258 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1nc(-c3cccc(F)c3)cs1)C2 ZINC000884061443 737629670 /nfs/dbraw/zinc/62/96/70/737629670.db2.gz IHBGYFVYVFWENQ-YNAXMUEKSA-N 0 3 356.426 3.027 20 30 FGEDHN Cc1nc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)sc1-c1ccccc1 ZINC000884078160 737631337 /nfs/dbraw/zinc/63/13/37/737631337.db2.gz HNCFMEJMWRZENU-XAUUPUKJSA-N 0 3 352.463 3.196 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(Cl)c(Br)c1)C2 ZINC000884133439 737636480 /nfs/dbraw/zinc/63/64/80/737636480.db2.gz YSZVLPRISKWZMK-VOZQYIJBSA-N 0 3 368.662 3.180 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)C2 ZINC000884151487 737637985 /nfs/dbraw/zinc/63/79/85/737637985.db2.gz NVTLUVPSMKLEGU-LZPVFFGRSA-N 0 3 371.790 3.199 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3ccc(Cl)c(Cl)c3C1)C2 ZINC000884400327 737661672 /nfs/dbraw/zinc/66/16/72/737661672.db2.gz CHOAJFIWFWXYMG-YNAXMUEKSA-N 0 3 364.276 3.017 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC(Oc3ccc(F)cc3F)CC2)CCC1 ZINC000885959087 739203524 /nfs/dbraw/zinc/20/35/24/739203524.db2.gz SBXCIIMGVCGUNS-HNNXBMFYSA-N 0 3 350.409 3.253 20 30 FGEDHN C[C@@](CO)(NC[C@@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1 ZINC000886236994 739235010 /nfs/dbraw/zinc/23/50/10/739235010.db2.gz SPBAEDGVSMSDPR-HOTGVXAUSA-N 0 3 357.281 3.235 20 30 FGEDHN C#CCN(C(=O)c1c[nH]c2cccc(Br)c12)C1CCN(C)CC1 ZINC000886579950 739271500 /nfs/dbraw/zinc/27/15/00/739271500.db2.gz OUWXQVJJZVINTN-UHFFFAOYSA-N 0 3 374.282 3.100 20 30 FGEDHN C#CCN(C(=O)c1ccc(-c2ccsc2)nc1C)C1CCN(C)CC1 ZINC000886582231 739272369 /nfs/dbraw/zinc/27/23/69/739272369.db2.gz KTQQBAUAYITEIE-UHFFFAOYSA-N 0 3 353.491 3.288 20 30 FGEDHN C#CCN(C(=O)c1ccc(Br)cc1Cl)C1CCN(C)CC1 ZINC000886583472 739272377 /nfs/dbraw/zinc/27/23/77/739272377.db2.gz REHCDKMFMQVSEU-UHFFFAOYSA-N 0 3 369.690 3.272 20 30 FGEDHN CO[C@@]1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCSC1 ZINC000892539025 740013541 /nfs/dbraw/zinc/01/35/41/740013541.db2.gz RLRWLARTFUVTHS-HWPZZCPQSA-N 0 3 351.378 3.130 20 30 FGEDHN C#C[C@H](NC1CCN(c2cnccn2)CC1)c1ccc(Br)cc1 ZINC000894871188 742345191 /nfs/dbraw/zinc/34/51/91/742345191.db2.gz SDZVIYFYVOEUCJ-KRWDZBQOSA-N 0 3 371.282 3.172 20 30 FGEDHN N#Cc1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cs1 ZINC000895152023 742382383 /nfs/dbraw/zinc/38/23/83/742382383.db2.gz KXONCBSSPNXXKY-WOJBJXKFSA-N 0 3 353.491 3.095 20 30 FGEDHN C#CCN(C(=S)Nc1cccc(Br)c1)C1CCN(C)CC1 ZINC000899613755 742988215 /nfs/dbraw/zinc/98/82/15/742988215.db2.gz NGFKHCWAWBODBW-UHFFFAOYSA-N 0 3 366.328 3.175 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccnn1CCN(C)C ZINC000900636111 743141434 /nfs/dbraw/zinc/14/14/34/743141434.db2.gz HNXPEHDCGNRDER-CQSZACIVSA-N 0 3 357.483 3.091 20 30 FGEDHN C[C@H](NCc1cccc(NS(=O)(=O)C2CC2)c1)c1cccc(C#N)c1 ZINC000901700483 743622645 /nfs/dbraw/zinc/62/26/45/743622645.db2.gz ULNYEFQWNWHPDL-AWEZNQCLSA-N 0 3 355.463 3.313 20 30 FGEDHN CC[C@@H](NCc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000903424646 743848807 /nfs/dbraw/zinc/84/88/07/743848807.db2.gz ZPZCEXAVFLTHPK-LJQANCHMSA-N 0 3 357.479 3.195 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccsc2)CC1(C)C ZINC000940753912 762159400 /nfs/dbraw/zinc/15/94/00/762159400.db2.gz QJQKIKDTPIFNIQ-FGTMMUONSA-N 0 3 362.539 3.446 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000916878516 758149340 /nfs/dbraw/zinc/14/93/40/758149340.db2.gz ZRBIMCCSOAHGPE-AWEZNQCLSA-N 0 3 356.344 3.099 20 30 FGEDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 ZINC000924776693 759387761 /nfs/dbraw/zinc/38/77/61/759387761.db2.gz OCWWPPJMNKZISH-HNNXBMFYSA-N 0 3 351.516 3.133 20 30 FGEDHN C[C@](NCC1CCC(C#N)CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000930018977 760512408 /nfs/dbraw/zinc/51/24/08/760512408.db2.gz RQBOYIGFSUAGGT-QWQCLYJRSA-N 0 3 353.388 3.325 20 30 FGEDHN N#Cc1ccc(OC2CCN(CCOC3CCSCC3)CC2)c(F)c1 ZINC000930466143 760619142 /nfs/dbraw/zinc/61/91/42/760619142.db2.gz GLFSKYARZLDJFK-UHFFFAOYSA-N 0 3 364.486 3.453 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](Cc2nccs2)C1 ZINC000932199455 761082559 /nfs/dbraw/zinc/08/25/59/761082559.db2.gz RDAJIJBCYIDQBA-ZDUSSCGKSA-N 0 3 360.508 3.360 20 30 FGEDHN Cn1nccc1[C@H]1CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000932266698 761113601 /nfs/dbraw/zinc/11/36/01/761113601.db2.gz UBEGMAFBDKTVQZ-QGZVFWFLSA-N 0 3 357.845 3.111 20 30 FGEDHN OCCCCCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944571 761281825 /nfs/dbraw/zinc/28/18/25/761281825.db2.gz XJIDJJHRADEXDW-RKDXNWHRSA-N 0 3 355.269 3.252 20 30 FGEDHN OC[C@H](NCCOCC(F)(F)C(F)F)c1ccccc1C(F)(F)F ZINC000933240761 761342752 /nfs/dbraw/zinc/34/27/52/761342752.db2.gz BRPCCGWWKRRDSM-NSHDSACASA-N 0 3 363.273 3.245 20 30 FGEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C(C)(C)C1 ZINC000974970738 763072758 /nfs/dbraw/zinc/07/27/58/763072758.db2.gz LIWFNVRSIKPPMI-NFAWXSAZSA-N 0 3 350.915 3.355 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001033498328 766221161 /nfs/dbraw/zinc/22/11/61/766221161.db2.gz WYCMBKIHHSUWOA-QYZOEREBSA-N 0 3 362.539 3.195 20 30 FGEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC001040243836 766300692 /nfs/dbraw/zinc/30/06/92/766300692.db2.gz CPZVLPNTPAOLOV-NUJGCVRESA-N 0 3 356.432 3.303 20 30 FGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC001040444169 766307198 /nfs/dbraw/zinc/30/71/98/766307198.db2.gz PRLCGVANWSGVBI-QKNQBKEWSA-N 0 3 356.897 3.391 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001052721924 766915765 /nfs/dbraw/zinc/91/57/65/766915765.db2.gz HQBGULMKKWLIGY-QRVBRYPASA-N 0 3 362.901 3.402 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)CC1 ZINC000518004072 503886062 /nfs/dbraw/zinc/88/60/62/503886062.db2.gz YYJRLSSLXMAEIQ-UHFFFAOYSA-N 0 3 358.486 3.443 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC2(C3CC3)CC2)c1C#N ZINC000543453024 503776458 /nfs/dbraw/zinc/77/64/58/503776458.db2.gz DRRLVBUGAQNRDH-UHFFFAOYSA-N 0 3 352.438 3.089 20 30 FGEDHN CCOc1ccc(Br)cc1CN(C(=O)C(C)C#N)C1CC1 ZINC000609921297 507049712 /nfs/dbraw/zinc/04/97/12/507049712.db2.gz GVBWCAPBDAFDIY-LLVKDONJSA-N 0 3 351.244 3.498 20 30 FGEDHN Cc1ccccc1C(NC[C@H](O)CN(C)CCC#N)c1ccccc1C ZINC000579584152 505580354 /nfs/dbraw/zinc/58/03/54/505580354.db2.gz GTMNCSMMTGEGQX-IBGZPJMESA-N 0 3 351.494 3.189 20 30 FGEDHN COC(=O)c1ccc(NC[C@@]2(C)CCCN2Cc2ccccc2)c(C#N)n1 ZINC000570827368 505590075 /nfs/dbraw/zinc/59/00/75/505590075.db2.gz RNAKNPZMHLRFQM-OAQYLSRUSA-N 0 3 364.449 3.206 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CN1Cc1ccccc1 ZINC000568100892 505616344 /nfs/dbraw/zinc/61/63/44/505616344.db2.gz MKMDAYVTLURRKF-JXFKEZNVSA-N 0 3 362.477 3.017 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CN1Cc1ccccc1 ZINC000568100894 505616796 /nfs/dbraw/zinc/61/67/96/505616796.db2.gz MKMDAYVTLURRKF-OXQOHEQNSA-N 0 3 362.477 3.017 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(NC(=O)[C@H]3CCCO3)c1)CC2 ZINC000571091592 505651421 /nfs/dbraw/zinc/65/14/21/505651421.db2.gz BVNSZXNQJZVAKH-LEWJYISDSA-N 0 3 361.445 3.453 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000048039911 493776451 /nfs/dbraw/zinc/77/64/51/493776451.db2.gz UKNXGAHVNWRHMJ-QFIPXVFZSA-N 0 3 363.461 3.332 20 30 FGEDHN CCCN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000081079778 493826129 /nfs/dbraw/zinc/82/61/29/493826129.db2.gz FYJCWJKKLKINIE-HXUWFJFHSA-N 0 3 364.493 3.414 20 30 FGEDHN C=CCN1CCC(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC000068702537 493860313 /nfs/dbraw/zinc/86/03/13/493860313.db2.gz XWDJKDQGWSYNLT-UHFFFAOYSA-N 0 3 362.905 3.423 20 30 FGEDHN CCN(CCC#N)C(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000076342955 493871607 /nfs/dbraw/zinc/87/16/07/493871607.db2.gz QMMCSEDPNFNEQB-UHFFFAOYSA-N 0 3 355.482 3.128 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000076389743 493882555 /nfs/dbraw/zinc/88/25/55/493882555.db2.gz ZLKTVVQNMZFUFF-GOSISDBHSA-N 0 3 363.461 3.060 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000068884395 493888770 /nfs/dbraw/zinc/88/87/70/493888770.db2.gz GXZNXRDOSCRJND-SJORKVTESA-N 0 3 374.485 3.413 20 30 FGEDHN C=CCCCN(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000076734153 493962103 /nfs/dbraw/zinc/96/21/03/493962103.db2.gz PHYHXARVMDVIIY-SFHVURJKSA-N 0 3 358.482 3.409 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccsc1 ZINC000031987327 493969260 /nfs/dbraw/zinc/96/92/60/493969260.db2.gz SVQWCKQZXXTCNV-SFHVURJKSA-N 0 3 357.479 3.198 20 30 FGEDHN CC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n(C)c1 ZINC000051655645 493981618 /nfs/dbraw/zinc/98/16/18/493981618.db2.gz LMFABHKFWGDJBV-GFCCVEGCSA-N 0 3 356.332 3.463 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)ccc1C)C(C)C ZINC000062205158 494005619 /nfs/dbraw/zinc/00/56/19/494005619.db2.gz JMMWNBUOYQXFCS-LJQANCHMSA-N 0 3 357.498 3.057 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000069806275 494014737 /nfs/dbraw/zinc/01/47/37/494014737.db2.gz IISBAQOLLRARIJ-HNNXBMFYSA-N 0 3 351.512 3.206 20 30 FGEDHN C/C=C\c1ccc(OC[C@@H](O)CNCc2ccc(C#N)s2)c(OC)c1 ZINC000580185753 505698535 /nfs/dbraw/zinc/69/85/35/505698535.db2.gz UTYIVFPTRGXCGF-JZIMQPMSSA-N 0 3 358.463 3.191 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc(C#N)c1 ZINC000077546895 494111451 /nfs/dbraw/zinc/11/14/51/494111451.db2.gz UNCIKJHRRBXPRV-SFHVURJKSA-N 0 3 362.477 3.364 20 30 FGEDHN C=CCOc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1OC ZINC000053349103 494119667 /nfs/dbraw/zinc/11/96/67/494119667.db2.gz QQFOSHBZNZRSIG-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc(C(=O)Nc3ccccc3)nn2)CC1 ZINC000077965053 494207062 /nfs/dbraw/zinc/20/70/62/494207062.db2.gz PINWUBCBOTVQCQ-UHFFFAOYSA-N 0 3 351.454 3.181 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000042564135 494226524 /nfs/dbraw/zinc/22/65/24/494226524.db2.gz QNJSJSJJTBQBAX-MSOLQXFVSA-N 0 3 357.498 3.150 20 30 FGEDHN Cc1cccc2c(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c[nH]c21 ZINC000078114167 494235581 /nfs/dbraw/zinc/23/55/81/494235581.db2.gz AIOKSEOMSLMSBW-UHFFFAOYSA-N 0 3 374.488 3.481 20 30 FGEDHN CC(C)(COc1ncccc1C(F)(F)F)NCc1ccc(C#N)cn1 ZINC000574168816 505711066 /nfs/dbraw/zinc/71/10/66/505711066.db2.gz JLFSFYJUHZDNIA-UHFFFAOYSA-N 0 3 350.344 3.314 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCN([C@H](C)CC)CC1 ZINC000568511075 505712766 /nfs/dbraw/zinc/71/27/66/505712766.db2.gz KSSWAXBLALSFFH-CQSZACIVSA-N 0 3 360.531 3.207 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)CC1CCCCC1 ZINC000044000044 494334306 /nfs/dbraw/zinc/33/43/06/494334306.db2.gz CIKAASOVAJMUNZ-UHFFFAOYSA-N 0 3 374.529 3.464 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c(F)c1F ZINC000078699413 494344790 /nfs/dbraw/zinc/34/47/90/494344790.db2.gz IQPRBPOUAADVMK-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN N#CCOc1cccc(CC(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 ZINC000089773782 494361452 /nfs/dbraw/zinc/36/14/52/494361452.db2.gz SWRLTZPMTAWFAN-LJQANCHMSA-N 0 3 361.445 3.143 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)no1 ZINC000044566086 494365904 /nfs/dbraw/zinc/36/59/04/494365904.db2.gz YREHWDCWPCPSMA-UHFFFAOYSA-N 0 3 374.444 3.417 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)CN(C)C2CCC(CO)CC2)cc1C ZINC000089924157 494402914 /nfs/dbraw/zinc/40/29/14/494402914.db2.gz NUPIOVJQLMLMAZ-UHFFFAOYSA-N 0 3 357.498 3.033 20 30 FGEDHN C[C@@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1cccc(C#N)c1 ZINC000073793636 494430127 /nfs/dbraw/zinc/43/01/27/494430127.db2.gz RRXOANKWVGWEKW-OXQOHEQNSA-N 0 3 350.466 3.091 20 30 FGEDHN Cc1ccccc1NCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000056015984 494442940 /nfs/dbraw/zinc/44/29/40/494442940.db2.gz VJOHXVCDVAGLQV-UHFFFAOYSA-N 0 3 364.493 3.259 20 30 FGEDHN CN(CCC#N)c1ccc(CNCc2ccc3c(c2)OCCCO3)cc1 ZINC000067011401 494454525 /nfs/dbraw/zinc/45/45/25/494454525.db2.gz HQQQNTMIJSOSMD-UHFFFAOYSA-N 0 3 351.450 3.488 20 30 FGEDHN Cc1cccc(CN2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000045799551 494464059 /nfs/dbraw/zinc/46/40/59/494464059.db2.gz BETSMVKGUMSONX-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079521178 494472683 /nfs/dbraw/zinc/47/26/83/494472683.db2.gz WKGCAPCEUJWLBA-OAQYLSRUSA-N 0 3 362.477 3.364 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)COc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000079553917 494478875 /nfs/dbraw/zinc/47/88/75/494478875.db2.gz JZUOGQAABMYFID-XLIONFOSSA-N 0 3 363.461 3.106 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)COc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000079553918 494479159 /nfs/dbraw/zinc/47/91/59/494479159.db2.gz JZUOGQAABMYFID-PXNSSMCTSA-N 0 3 363.461 3.106 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C#N)cc1 ZINC000046529292 494536515 /nfs/dbraw/zinc/53/65/15/494536515.db2.gz AAMYRIMRWBFUNU-UHFFFAOYSA-N 0 3 364.474 3.441 20 30 FGEDHN C#CCN1CCC(C(=O)NCc2cc(-c3ccc(OC)cc3)cs2)CC1 ZINC000080056554 494578765 /nfs/dbraw/zinc/57/87/65/494578765.db2.gz KJVCZTWBRYGTCK-UHFFFAOYSA-N 0 3 368.502 3.385 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000056881917 494583655 /nfs/dbraw/zinc/58/36/55/494583655.db2.gz VCCPGIJCTDTBCH-INIZCTEOSA-N 0 3 354.454 3.294 20 30 FGEDHN Cc1ccsc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046987646 494604974 /nfs/dbraw/zinc/60/49/74/494604974.db2.gz CSGWFCHDEOIMHP-UHFFFAOYSA-N 0 3 356.495 3.202 20 30 FGEDHN C[C@@H]1CN(CC2CCN(c3ccc4cc(C#N)ccc4n3)CC2)C[C@H](C)O1 ZINC000091478177 494606336 /nfs/dbraw/zinc/60/63/36/494606336.db2.gz DKWIWTPFSDCIDH-CALCHBBNSA-N 0 3 364.493 3.432 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000057174416 494667001 /nfs/dbraw/zinc/66/70/01/494667001.db2.gz RFJGZWLLGUOCGB-UHFFFAOYSA-N 0 3 361.445 3.223 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1OCCCC#N ZINC000121272735 494676224 /nfs/dbraw/zinc/67/62/24/494676224.db2.gz TZTNVDLCQQEURR-KRWDZBQOSA-N 0 3 354.454 3.480 20 30 FGEDHN CC(C)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 ZINC000108365096 494688635 /nfs/dbraw/zinc/68/86/35/494688635.db2.gz AFRWOVUUYQGHMA-UHFFFAOYSA-N 0 3 351.454 3.335 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091889285 494713365 /nfs/dbraw/zinc/71/33/65/494713365.db2.gz LTPKYMKIIXEJFX-NRFANRHFSA-N 0 3 354.425 3.412 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)NCCCC)C2)cc1OC ZINC000092710352 494724014 /nfs/dbraw/zinc/72/40/14/494724014.db2.gz MGOJMDOWSUXQKF-SFHVURJKSA-N 0 3 360.498 3.388 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000068132852 494772484 /nfs/dbraw/zinc/77/24/84/494772484.db2.gz QRNKLHMSEJGACM-IBGZPJMESA-N 0 3 357.523 3.268 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000116430407 494783164 /nfs/dbraw/zinc/78/31/64/494783164.db2.gz AVGXUEAOXLPFRX-IBGZPJMESA-N 0 3 374.504 3.134 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134046 494830845 /nfs/dbraw/zinc/83/08/45/494830845.db2.gz ISSMZJLNMOXJCQ-GOSISDBHSA-N 0 3 365.481 3.286 20 30 FGEDHN CCC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000121804415 494863789 /nfs/dbraw/zinc/86/37/89/494863789.db2.gz UEVGQYJSMFCJAQ-LJQANCHMSA-N 0 3 368.443 3.490 20 30 FGEDHN Cc1csc(NC(=O)NCc2ccc(OCCN(C)C)cc2)c1C#N ZINC000568659749 505747390 /nfs/dbraw/zinc/74/73/90/505747390.db2.gz JBUDADYIBGKANO-UHFFFAOYSA-N 0 3 358.467 3.190 20 30 FGEDHN COc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)cc1OC(F)F ZINC000127054437 494886383 /nfs/dbraw/zinc/88/63/83/494886383.db2.gz GEXHOEFQQVTCOE-MRXNPFEDSA-N 0 3 362.376 3.334 20 30 FGEDHN N#CCOc1ccc(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000110197285 494956737 /nfs/dbraw/zinc/95/67/37/494956737.db2.gz ORAZVOUOOJLHOG-OAQYLSRUSA-N 0 3 363.461 3.085 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CSc2ccccc21 ZINC000118210281 494981860 /nfs/dbraw/zinc/98/18/60/494981860.db2.gz CJTFVCICVHXUBU-LJQANCHMSA-N 0 3 365.502 3.338 20 30 FGEDHN N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000133457333 495016926 /nfs/dbraw/zinc/01/69/26/495016926.db2.gz VLYQFOYQYJKRCR-MOPGFXCFSA-N 0 3 359.433 3.214 20 30 FGEDHN N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000133457333 495016931 /nfs/dbraw/zinc/01/69/31/495016931.db2.gz VLYQFOYQYJKRCR-MOPGFXCFSA-N 0 3 359.433 3.214 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000133457333 495016938 /nfs/dbraw/zinc/01/69/38/495016938.db2.gz VLYQFOYQYJKRCR-MOPGFXCFSA-N 0 3 359.433 3.214 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(F)cc1F ZINC000127995332 495027994 /nfs/dbraw/zinc/02/79/94/495027994.db2.gz WLQPAWVWBPLFGN-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1 ZINC000118817054 495041138 /nfs/dbraw/zinc/04/11/38/495041138.db2.gz HNYLKDSOVSHNHB-GOSISDBHSA-N 0 3 374.529 3.037 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000123055113 495073674 /nfs/dbraw/zinc/07/36/74/495073674.db2.gz CJEUWADIHPBFSW-QGZVFWFLSA-N 0 3 363.461 3.372 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)C(C)C ZINC000134166430 495116232 /nfs/dbraw/zinc/11/62/32/495116232.db2.gz CLKGMSPLZJBFOI-SJORKVTESA-N 0 3 363.527 3.423 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(CC(=O)OC(C)(C)C)CCC2)CC1 ZINC000571564194 505762034 /nfs/dbraw/zinc/76/20/34/505762034.db2.gz AGQAIIGNMGXPCQ-UHFFFAOYSA-N 0 3 350.503 3.045 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000119260819 495129462 /nfs/dbraw/zinc/12/94/62/495129462.db2.gz LJYFMGYURBUMNX-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN CC(C)[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000102691300 495153456 /nfs/dbraw/zinc/15/34/56/495153456.db2.gz IYFYABLLMQNXPG-FQEVSTJZSA-N 0 3 371.481 3.087 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000102990369 495180041 /nfs/dbraw/zinc/18/00/41/495180041.db2.gz KXJZTCRAVPWRJT-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000129133421 495201684 /nfs/dbraw/zinc/20/16/84/495201684.db2.gz BFEXOBZHVOMZQL-RDJZCZTQSA-N 0 3 357.845 3.120 20 30 FGEDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000119673919 495214939 /nfs/dbraw/zinc/21/49/39/495214939.db2.gz ZHQNDERIRUYWMI-CRAIPNDOSA-N 0 3 370.449 3.056 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000129326008 495229159 /nfs/dbraw/zinc/22/91/59/495229159.db2.gz MFPACKGGJNBOMZ-UHFFFAOYSA-N 0 3 367.449 3.280 20 30 FGEDHN C=CCC(CC=C)C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000129341784 495231481 /nfs/dbraw/zinc/23/14/81/495231481.db2.gz BFCUCGVSDZFUNT-SFHVURJKSA-N 0 3 355.482 3.091 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)Nc2ccc(CC#N)cc2)c1 ZINC000124242900 495256574 /nfs/dbraw/zinc/25/65/74/495256574.db2.gz MLGZVPMJPLFSFQ-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000104394441 495281818 /nfs/dbraw/zinc/28/18/18/495281818.db2.gz ZAIOYKZRZRQAMP-FQEVSTJZSA-N 0 3 351.450 3.287 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000104918369 495314931 /nfs/dbraw/zinc/31/49/31/495314931.db2.gz LLWXYKZGHANLMQ-BBWFWOEESA-N 0 3 355.482 3.189 20 30 FGEDHN C=CCOc1ccc(CNc2ccc3oc(=O)n(CCN(C)C)c3c2)cc1 ZINC000124642467 495320853 /nfs/dbraw/zinc/32/08/53/495320853.db2.gz QXGZXJIJBDJQFT-UHFFFAOYSA-N 0 3 367.449 3.333 20 30 FGEDHN C#CCCCCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000120305227 495347866 /nfs/dbraw/zinc/34/78/66/495347866.db2.gz DIBGLEKTUOIXAS-IBGZPJMESA-N 0 3 350.466 3.462 20 30 FGEDHN C=CCCS(=O)(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000130207562 495356795 /nfs/dbraw/zinc/35/67/95/495356795.db2.gz LYVQHUHTWQDLOY-UHFFFAOYSA-N 0 3 358.507 3.411 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccnc(OCC(F)F)c1 ZINC000136102837 495356915 /nfs/dbraw/zinc/35/69/15/495356915.db2.gz GOBQVPCPEWCYEN-LBPRGKRZSA-N 0 3 356.332 3.102 20 30 FGEDHN C[C@@H](NCc1cccc(C#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000105462901 495365764 /nfs/dbraw/zinc/36/57/64/495365764.db2.gz SFCRDLOSGFHLCT-MRXNPFEDSA-N 0 3 352.457 3.300 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000125041824 495381085 /nfs/dbraw/zinc/38/10/85/495381085.db2.gz QZSCMFIIBHLREZ-UHFFFAOYSA-N 0 3 354.450 3.252 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCC1CCOCC1 ZINC000120475988 495387882 /nfs/dbraw/zinc/38/78/82/495387882.db2.gz MGOUONRKRROSQV-MRXNPFEDSA-N 0 3 350.528 3.400 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000136785600 495401358 /nfs/dbraw/zinc/40/13/58/495401358.db2.gz CFKINJMCJFPYBV-UHFFFAOYSA-N 0 3 354.454 3.214 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000106034963 495405688 /nfs/dbraw/zinc/40/56/88/495405688.db2.gz JDJKKRJICGXJED-UHFFFAOYSA-N 0 3 358.873 3.296 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000106039201 495406849 /nfs/dbraw/zinc/40/68/49/495406849.db2.gz ZYHZYXHHHBJCLO-UHFFFAOYSA-N 0 3 373.444 3.349 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1ccc(C#N)cc1C)c1ccccc1 ZINC000120615006 495418146 /nfs/dbraw/zinc/41/81/46/495418146.db2.gz QYEFBBLEOWSDOM-NRFANRHFSA-N 0 3 365.477 3.306 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCOc2ccc(F)cc2)CC1 ZINC000106275540 495441554 /nfs/dbraw/zinc/44/15/54/495441554.db2.gz PYOGNUZHUJXKKN-UHFFFAOYSA-N 0 3 363.477 3.277 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000106340747 495446340 /nfs/dbraw/zinc/44/63/40/495446340.db2.gz WNTCGATWZLUBAF-UHFFFAOYSA-N 0 3 357.498 3.433 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000114960385 495447349 /nfs/dbraw/zinc/44/73/49/495447349.db2.gz YYPUGCYFHKFAEV-UHFFFAOYSA-N 0 3 368.456 3.279 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000106349507 495447674 /nfs/dbraw/zinc/44/76/74/495447674.db2.gz OANNMZYEOKUPPV-UHFFFAOYSA-N 0 3 370.280 3.089 20 30 FGEDHN Cc1nccn1CCCN(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000130941590 495469892 /nfs/dbraw/zinc/46/98/92/495469892.db2.gz CQIHTCNZNYTTTL-UHFFFAOYSA-N 0 3 367.497 3.077 20 30 FGEDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000130958311 495471891 /nfs/dbraw/zinc/47/18/91/495471891.db2.gz VHLZCKYCTGFWNC-SFHVURJKSA-N 0 3 353.422 3.463 20 30 FGEDHN CC(C)[C@@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000140515712 495496857 /nfs/dbraw/zinc/49/68/57/495496857.db2.gz UEDIVTQRPIXMSN-KRWDZBQOSA-N 0 3 352.400 3.294 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000125919285 495518924 /nfs/dbraw/zinc/51/89/24/495518924.db2.gz NVIPIOBBAOCWAW-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1C#N ZINC000580565280 505787496 /nfs/dbraw/zinc/78/74/96/505787496.db2.gz LFSRBCRVZAOKFA-CJNGLKHVSA-N 0 3 355.467 3.108 20 30 FGEDHN C=CCSCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000176242432 495559808 /nfs/dbraw/zinc/55/98/08/495559808.db2.gz WOOVLTNQTFXEAT-GDBMZVCRSA-N 0 3 353.557 3.349 20 30 FGEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3cc(C)on3)n2)cc1 ZINC000179471438 495604850 /nfs/dbraw/zinc/60/48/50/495604850.db2.gz QFZYLXKMBDDMDV-ZDUSSCGKSA-N 0 3 354.391 3.361 20 30 FGEDHN COC(=O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000154487604 495631320 /nfs/dbraw/zinc/63/13/20/495631320.db2.gz AGZDBYOKFGNUJM-NRFANRHFSA-N 0 3 363.461 3.027 20 30 FGEDHN CCOC(=O)c1ccc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)o1 ZINC000182663808 495654507 /nfs/dbraw/zinc/65/45/07/495654507.db2.gz OMBVFQNZRVZWBE-UHFFFAOYSA-N 0 3 369.421 3.203 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1-c1nc(C)no1)C(C)C ZINC000173715340 495660302 /nfs/dbraw/zinc/66/03/02/495660302.db2.gz DSMIDXUDHFWIGB-LJQANCHMSA-N 0 3 368.481 3.473 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000176498934 495674148 /nfs/dbraw/zinc/67/41/48/495674148.db2.gz MATYUNXXUMYWHO-CQSZACIVSA-N 0 3 351.441 3.408 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccncc1Br)C(C)C ZINC000154646772 495683872 /nfs/dbraw/zinc/68/38/72/495683872.db2.gz VZRCJPJGLHCOFS-MRXNPFEDSA-N 0 3 366.303 3.273 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000568872965 505797617 /nfs/dbraw/zinc/79/76/17/505797617.db2.gz FTZGLPPRAINFSI-YSIASYRMSA-N 0 3 356.853 3.291 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000185735001 495702628 /nfs/dbraw/zinc/70/26/28/495702628.db2.gz CNXLFZNANLTXNH-PMACEKPBSA-N 0 3 371.525 3.320 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000185766437 495718918 /nfs/dbraw/zinc/71/89/18/495718918.db2.gz VCNNVKAQMXCFII-QZTJIDSGSA-N 0 3 361.511 3.033 20 30 FGEDHN C[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)N(C)Cc1ccccc1 ZINC000176617723 495722546 /nfs/dbraw/zinc/72/25/46/495722546.db2.gz WWKVMYWCHXRKTA-HNNXBMFYSA-N 0 3 354.429 3.017 20 30 FGEDHN Cc1ccccc1[C@@H](CC(C)C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574550802 505799848 /nfs/dbraw/zinc/79/98/48/505799848.db2.gz CVHMKPYFUQQPBO-LJQANCHMSA-N 0 3 371.506 3.412 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000185849395 495748604 /nfs/dbraw/zinc/74/86/04/495748604.db2.gz UKBOESKFELTBTB-OAHLLOKOSA-N 0 3 358.486 3.443 20 30 FGEDHN COc1ccccc1C[C@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000185890113 495766595 /nfs/dbraw/zinc/76/65/95/495766595.db2.gz IYQNLCWMICDTTE-IBGZPJMESA-N 0 3 351.450 3.362 20 30 FGEDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1cccc(OCCCC#N)c1 ZINC000151229685 495778155 /nfs/dbraw/zinc/77/81/55/495778155.db2.gz ADNJGVUAUSDACY-UHFFFAOYSA-N 0 3 366.465 3.142 20 30 FGEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000186247114 495913013 /nfs/dbraw/zinc/91/30/13/495913013.db2.gz HUYZNMKFAJCPHP-HOTGVXAUSA-N 0 3 354.454 3.141 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000174415995 495948980 /nfs/dbraw/zinc/94/89/80/495948980.db2.gz CLLQGFMVKDEZLP-QGZVFWFLSA-N 0 3 369.415 3.365 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160391021 495952188 /nfs/dbraw/zinc/95/21/88/495952188.db2.gz NCXBQXQLIPIWQS-LJQANCHMSA-N 0 3 359.470 3.016 20 30 FGEDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000171631742 495956999 /nfs/dbraw/zinc/95/69/99/495956999.db2.gz HWMCKVXZNDBTAC-AWEZNQCLSA-N 0 3 373.844 3.111 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC000171716670 496003694 /nfs/dbraw/zinc/00/36/94/496003694.db2.gz QFJQNYFAXNBEDV-UHFFFAOYSA-N 0 3 363.433 3.469 20 30 FGEDHN C=CCSCCN[C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000180456572 496003882 /nfs/dbraw/zinc/00/38/82/496003882.db2.gz WCQXFZNHIXJEQE-LLVKDONJSA-N 0 3 365.467 3.261 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000171716972 496004235 /nfs/dbraw/zinc/00/42/35/496004235.db2.gz RKKRGKADZFDFIR-UHFFFAOYSA-N 0 3 372.450 3.099 20 30 FGEDHN CCC[C@@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000180478221 496014086 /nfs/dbraw/zinc/01/40/86/496014086.db2.gz HJFVRHHTIGYVNK-VQTJNVASSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(C#N)cn2C)CCN1Cc1ccccc1 ZINC000177422981 496056462 /nfs/dbraw/zinc/05/64/62/496056462.db2.gz TTZFLEFANZUTFN-VQIMIIECSA-N 0 3 350.466 3.022 20 30 FGEDHN CC(C)n1cc(C#N)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000160986772 496080064 /nfs/dbraw/zinc/08/00/64/496080064.db2.gz ATEQTTVFYBFIFG-QGZVFWFLSA-N 0 3 351.454 3.186 20 30 FGEDHN C=C(C)CN(C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000180669238 496096765 /nfs/dbraw/zinc/09/67/65/496096765.db2.gz NUARUJWNGSONJT-UHFFFAOYSA-N 0 3 358.530 3.115 20 30 FGEDHN CN(CCCNC(=O)NCc1cc(C#N)ccc1F)Cc1ccccc1 ZINC000174783611 496104858 /nfs/dbraw/zinc/10/48/58/496104858.db2.gz LCFFZMOMHOHHDE-UHFFFAOYSA-N 0 3 354.429 3.019 20 30 FGEDHN FC(F)(F)Oc1ccc(C#CCN2CCN(C3CCCC3)CC2)cc1 ZINC000156052686 496143747 /nfs/dbraw/zinc/14/37/47/496143747.db2.gz HDDOMHKSKSQTFJ-UHFFFAOYSA-N 0 3 352.400 3.497 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152459727 496158766 /nfs/dbraw/zinc/15/87/66/496158766.db2.gz DMJBAVNTSYOBQI-KRWDZBQOSA-N 0 3 351.454 3.133 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(-n2cccn2)cc1 ZINC000180824927 496159995 /nfs/dbraw/zinc/15/99/95/496159995.db2.gz KHVXQFUGQLRMDZ-AWEZNQCLSA-N 0 3 365.462 3.485 20 30 FGEDHN N#Cc1csc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000177690353 496160699 /nfs/dbraw/zinc/16/06/99/496160699.db2.gz AJIIUSJFJVPJCX-CYBMUJFWSA-N 0 3 356.369 3.168 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000180834761 496164051 /nfs/dbraw/zinc/16/40/51/496164051.db2.gz KMNZYOLYEJYMOS-MRXNPFEDSA-N 0 3 359.433 3.423 20 30 FGEDHN N#C[C@]1(NC(=O)c2cccc(CN3CCCC3)c2)CCc2ccccc2C1 ZINC000186904817 496203867 /nfs/dbraw/zinc/20/38/67/496203867.db2.gz VLZMKFCHWYYLPJ-QHCPKHFHSA-N 0 3 359.473 3.463 20 30 FGEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000180948839 496213452 /nfs/dbraw/zinc/21/34/52/496213452.db2.gz HWALNVVFIWBXAA-SFHVURJKSA-N 0 3 367.474 3.040 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCCc3nc(CC)sc32)CC1 ZINC000177868937 496232822 /nfs/dbraw/zinc/23/28/22/496232822.db2.gz VWHQNBQCRODBTG-MRXNPFEDSA-N 0 3 362.543 3.375 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181225091 496318914 /nfs/dbraw/zinc/31/89/14/496318914.db2.gz ZXTKDSQNBJLOMF-RCZSKKKRSA-N 0 3 366.461 3.055 20 30 FGEDHN CN(c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)C1CCN(C)CC1 ZINC000156991135 496379587 /nfs/dbraw/zinc/37/95/87/496379587.db2.gz MFCSWAOVZCBEQA-UHFFFAOYSA-N 0 3 374.492 3.348 20 30 FGEDHN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181602300 496465579 /nfs/dbraw/zinc/46/55/79/496465579.db2.gz NSYRXUZZZJCBED-INIZCTEOSA-N 0 3 369.490 3.194 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CC1 ZINC000172908447 496485693 /nfs/dbraw/zinc/48/56/93/496485693.db2.gz ZHDCOKLAJDYGGZ-UHFFFAOYSA-N 0 3 363.889 3.315 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000178541013 496492666 /nfs/dbraw/zinc/49/26/66/496492666.db2.gz DVXPUMRKHXAYKA-UHFFFAOYSA-N 0 3 370.884 3.486 20 30 FGEDHN CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H]1CCCN(C)C1 ZINC000153548163 496492998 /nfs/dbraw/zinc/49/29/98/496492998.db2.gz BHWHHNOCMMZOMD-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CC)Oc2ccccc2F)CC1 ZINC000175739848 496524015 /nfs/dbraw/zinc/52/40/15/496524015.db2.gz LLGWOVUFCUOLEL-KRWDZBQOSA-N 0 3 363.477 3.323 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C[C@H](C)C(=O)OC)cc2)CC1 ZINC000184860137 496561473 /nfs/dbraw/zinc/56/14/73/496561473.db2.gz FRYGDJBDGBPPGV-INIZCTEOSA-N 0 3 373.497 3.200 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000181865712 496577682 /nfs/dbraw/zinc/57/76/82/496577682.db2.gz AUOHWHHHAXNRSA-CQSZACIVSA-N 0 3 357.376 3.148 20 30 FGEDHN CC[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Oc1cccc(C)c1 ZINC000578063874 505853845 /nfs/dbraw/zinc/85/38/45/505853845.db2.gz DEUJATKURYQKIH-SFHVURJKSA-N 0 3 372.490 3.088 20 30 FGEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)Nc1ccccc1 ZINC000181950610 496610437 /nfs/dbraw/zinc/61/04/37/496610437.db2.gz MKQJFDNCWJJZHL-QGZVFWFLSA-N 0 3 362.477 3.139 20 30 FGEDHN CC(C)C1CCC(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000176026834 496648898 /nfs/dbraw/zinc/64/88/98/496648898.db2.gz KBYDUXCTXNGMKD-UHFFFAOYSA-N 0 3 368.525 3.329 20 30 FGEDHN N#Cc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000194883237 496747123 /nfs/dbraw/zinc/74/71/23/496747123.db2.gz KUZOTBCCALGJTH-GOSISDBHSA-N 0 3 353.491 3.191 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000188450117 496795024 /nfs/dbraw/zinc/79/50/24/496795024.db2.gz SCFQHJZCZHHFCM-RXVVDRJESA-N 0 3 357.498 3.394 20 30 FGEDHN Cc1cc(C)c(C#N)c(NCc2ccc(CN3CCC(O)CC3)cc2)n1 ZINC000264187159 496831674 /nfs/dbraw/zinc/83/16/74/496831674.db2.gz BTQCVFZRFIJWCN-UHFFFAOYSA-N 0 3 350.466 3.139 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(OCCCC#N)c2)[C@@]12CCCO2 ZINC000273599766 496849697 /nfs/dbraw/zinc/84/96/97/496849697.db2.gz LNFYZTIRWPSFOC-NJYVYQBISA-N 0 3 374.481 3.194 20 30 FGEDHN CN(C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188681456 496875043 /nfs/dbraw/zinc/87/50/43/496875043.db2.gz LBNWEVZGPOESJW-QGZVFWFLSA-N 0 3 367.453 3.189 20 30 FGEDHN C=CCSCCNCc1ccc(Br)cc1N1CCOCC1 ZINC000188725800 496888397 /nfs/dbraw/zinc/88/83/97/496888397.db2.gz VGWLGFGXXQTOHO-UHFFFAOYSA-N 0 3 371.344 3.295 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](N3CCCCC3)C2)c1 ZINC000264618524 496944443 /nfs/dbraw/zinc/94/44/43/496944443.db2.gz RDDSSAKMZUCLFF-FQEVSTJZSA-N 0 3 368.525 3.110 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](N3CCCCC3)C2)c1C ZINC000264635232 496949517 /nfs/dbraw/zinc/94/95/17/496949517.db2.gz UVPYTAHRKPFJKV-HXUWFJFHSA-N 0 3 368.525 3.110 20 30 FGEDHN N#Cc1ccc(CNCC2(c3ccc4c(c3)OCO4)CCOCC2)c(F)c1 ZINC000269450178 496949935 /nfs/dbraw/zinc/94/99/35/496949935.db2.gz VRDDALAPUNNVBM-UHFFFAOYSA-N 0 3 368.408 3.264 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000264651837 496953863 /nfs/dbraw/zinc/95/38/63/496953863.db2.gz YJKIDILKSXDNEL-HZPDHXFCSA-N 0 3 360.527 3.045 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000195650953 496957738 /nfs/dbraw/zinc/95/77/38/496957738.db2.gz WJXYIMKFZIKLKI-CQSZACIVSA-N 0 3 363.889 3.142 20 30 FGEDHN CCc1ncsc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000269561345 496971075 /nfs/dbraw/zinc/97/10/75/496971075.db2.gz UMIKFIJPWMOZIQ-UHFFFAOYSA-N 0 3 357.483 3.173 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000189087663 497003793 /nfs/dbraw/zinc/00/37/93/497003793.db2.gz HNSBTDXGRIBXOY-LAUBAEHRSA-N 0 3 363.461 3.349 20 30 FGEDHN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000248634640 497066052 /nfs/dbraw/zinc/06/60/52/497066052.db2.gz XMOVGYOVROSMBG-HOJAQTOUSA-N 0 3 357.498 3.486 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@H](O)C2(C)C)cc1OC ZINC000189346093 497089451 /nfs/dbraw/zinc/08/94/51/497089451.db2.gz CSJXKLUXOZQOLP-CABCVRRESA-N 0 3 370.287 3.272 20 30 FGEDHN N#CCc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000270372458 497112606 /nfs/dbraw/zinc/11/26/06/497112606.db2.gz VSYDFYMHWXRMFU-KRWDZBQOSA-N 0 3 353.491 3.456 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000248942337 497138267 /nfs/dbraw/zinc/13/82/67/497138267.db2.gz YWZORAQFNQWPTK-DYESRHJHSA-N 0 3 362.477 3.220 20 30 FGEDHN CN(CCC#N)C(=O)CCN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000270554763 497149516 /nfs/dbraw/zinc/14/95/16/497149516.db2.gz CJLSTZOEOAFAHH-GOSISDBHSA-N 0 3 371.506 3.046 20 30 FGEDHN C=CCn1c(C)nnc1SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278644214 497177158 /nfs/dbraw/zinc/17/71/58/497177158.db2.gz VPSBHHRGZPKCNU-GOSISDBHSA-N 0 3 358.511 3.156 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000278773572 497215961 /nfs/dbraw/zinc/21/59/61/497215961.db2.gz YVYNEAPJYSBALU-SUMWQHHRSA-N 0 3 361.467 3.169 20 30 FGEDHN C=CCC[C@@H](C(=O)NCCCN1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000275117333 497240083 /nfs/dbraw/zinc/24/00/83/497240083.db2.gz IDGDNTZYPFFVLG-HXUWFJFHSA-N 0 3 372.509 3.128 20 30 FGEDHN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000572120320 505895004 /nfs/dbraw/zinc/89/50/04/505895004.db2.gz QNWDDJNCOXMOLF-JKSUJKDBSA-N 0 3 374.558 3.129 20 30 FGEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)CC1(O)CCOCC1 ZINC000193127450 497309238 /nfs/dbraw/zinc/30/92/38/497309238.db2.gz LNLONADRAYPCPC-UHFFFAOYSA-N 0 3 364.489 3.360 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)CC1 ZINC000266353926 497313597 /nfs/dbraw/zinc/31/35/97/497313597.db2.gz CAELWCTXJHGNLQ-UHFFFAOYSA-N 0 3 373.497 3.299 20 30 FGEDHN COc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)ccc1OCCN(C)C ZINC000581060563 505901394 /nfs/dbraw/zinc/90/13/94/505901394.db2.gz HSUULFHAIHJMGN-UHFFFAOYSA-N 0 3 373.840 3.413 20 30 FGEDHN CCc1nn(C)c(OC)c1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000271596558 497393945 /nfs/dbraw/zinc/39/39/45/497393945.db2.gz UQWKDMTZTYILMF-UHFFFAOYSA-N 0 3 352.482 3.485 20 30 FGEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000271632501 497403905 /nfs/dbraw/zinc/40/39/05/497403905.db2.gz DLHVSVVVEYZIHM-CYBMUJFWSA-N 0 3 357.376 3.040 20 30 FGEDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000271718181 497428195 /nfs/dbraw/zinc/42/81/95/497428195.db2.gz XFCRCRNOPYLQBB-ZDUSSCGKSA-N 0 3 368.393 3.154 20 30 FGEDHN CC(C)CO[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279463650 497445841 /nfs/dbraw/zinc/44/58/41/497445841.db2.gz URLMDCYFMBMASB-LJQANCHMSA-N 0 3 353.470 3.106 20 30 FGEDHN COC1CCC(N(C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000267061569 497477670 /nfs/dbraw/zinc/47/76/70/497477670.db2.gz TZQNFQAOEHVXNO-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC([C@@H]2CCCO2)CC1)C(C)C ZINC000190535379 497520625 /nfs/dbraw/zinc/52/06/25/497520625.db2.gz LYDQYCUKMWHBRA-UXHICEINSA-N 0 3 363.546 3.286 20 30 FGEDHN Cc1ccc(CNC(=N)Nc2cc(F)ccc2F)c(O[C@H]2CCOC2)c1 ZINC000262307466 497537333 /nfs/dbraw/zinc/53/73/33/497537333.db2.gz RRXQSYGTGCDWLO-HNNXBMFYSA-N 0 3 361.392 3.368 20 30 FGEDHN COc1cc(C)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000194122063 497579261 /nfs/dbraw/zinc/57/92/61/497579261.db2.gz XVJWTFOCGXYXGQ-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN C=C[C@](C)(CC)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000190736839 497589554 /nfs/dbraw/zinc/58/95/54/497589554.db2.gz XGDLJDSIBQNLMW-JOCHJYFZSA-N 0 3 357.542 3.303 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272404561 497619588 /nfs/dbraw/zinc/61/95/88/497619588.db2.gz BGKFVBJLJCSTNW-PKOBYXMFSA-N 0 3 354.498 3.232 20 30 FGEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CS2)c1cnc2ccccc2n1 ZINC000190896065 497636976 /nfs/dbraw/zinc/63/69/76/497636976.db2.gz STMFCNABTVCNCY-LBPRGKRZSA-N 0 3 360.398 3.164 20 30 FGEDHN COCC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000280068069 497638690 /nfs/dbraw/zinc/63/86/90/497638690.db2.gz NBHPYDGYFPIJAA-MSOLQXFVSA-N 0 3 351.406 3.036 20 30 FGEDHN CN(C)c1cccc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000246178750 497648987 /nfs/dbraw/zinc/64/89/87/497648987.db2.gz RFKVVSCBUUMXHR-IFMALSPDSA-N 0 3 365.477 3.201 20 30 FGEDHN C[C@@H](CC[S@@](C)=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000267996963 497656023 /nfs/dbraw/zinc/65/60/23/497656023.db2.gz LQBPFRQBTGVMLS-IVCQMTBJSA-N 0 3 356.491 3.384 20 30 FGEDHN C[C@@H](CC[S@](C)=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000267996968 497656120 /nfs/dbraw/zinc/65/61/20/497656120.db2.gz LQBPFRQBTGVMLS-LMKMVOKYSA-N 0 3 356.491 3.384 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NC3CC(c4cccc(F)c4)C3)C2=O)cc1 ZINC000276826852 497664592 /nfs/dbraw/zinc/66/45/92/497664592.db2.gz BCFZMBITEKJRTB-DQVLVPHSSA-N 0 3 363.436 3.334 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000280161154 497667658 /nfs/dbraw/zinc/66/76/58/497667658.db2.gz CAONVXDHQJMTDG-VXKWHMMOSA-N 0 3 373.456 3.101 20 30 FGEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000272596232 497674797 /nfs/dbraw/zinc/67/47/97/497674797.db2.gz XXUGWZCEGRKOTJ-WBVHZDCISA-N 0 3 359.470 3.324 20 30 FGEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)cc3Br)C2)[nH]1 ZINC000272622280 497681881 /nfs/dbraw/zinc/68/18/81/497681881.db2.gz YNKOBEOZKBAUQO-AWEZNQCLSA-N 0 3 360.259 3.127 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000194502216 497688469 /nfs/dbraw/zinc/68/84/69/497688469.db2.gz SACQBEQAALILMX-FUHWJXTLSA-N 0 3 358.482 3.072 20 30 FGEDHN N#Cc1ccc(CN(CCCN2C(=O)c3ccccc3C2=O)C2CC2)cc1 ZINC000194539297 497698875 /nfs/dbraw/zinc/69/88/75/497698875.db2.gz UQUSLPUGAQOGAW-UHFFFAOYSA-N 0 3 359.429 3.209 20 30 FGEDHN COc1ccccc1COC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194539530 497699045 /nfs/dbraw/zinc/69/90/45/497699045.db2.gz AWRYIEMNOUNTAQ-NRFANRHFSA-N 0 3 366.461 3.109 20 30 FGEDHN CCC(CC)c1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)on1 ZINC000280406495 497743681 /nfs/dbraw/zinc/74/36/81/497743681.db2.gz LFMXIWHPXOYQKE-KRWDZBQOSA-N 0 3 350.422 3.449 20 30 FGEDHN N#CCCCN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263699886 497809492 /nfs/dbraw/zinc/80/94/92/497809492.db2.gz LEXDRTTUVFMVGZ-UHFFFAOYSA-N 0 3 350.260 3.403 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3cc(C4CC4)ccn3)CC2)C[C@H](C)O1 ZINC000329545033 497825463 /nfs/dbraw/zinc/82/54/63/497825463.db2.gz ZCWURFKEDUNCLZ-IYBDPMFKSA-N 0 3 372.513 3.326 20 30 FGEDHN Cc1nc(C2CC2)oc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000329584659 497835908 /nfs/dbraw/zinc/83/59/08/497835908.db2.gz QWMNWMCVJHBQCL-UHFFFAOYSA-N 0 3 355.438 3.453 20 30 FGEDHN CO[C@H](C(=O)NCC1(N2CCSCC2)CCCC1)c1ccc(O)cc1 ZINC000329607765 497843251 /nfs/dbraw/zinc/84/32/51/497843251.db2.gz ILVLPLJALUXZIS-KRWDZBQOSA-N 0 3 364.511 3.398 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCN1Cc1ccccc1 ZINC000329704654 497875179 /nfs/dbraw/zinc/87/51/79/497875179.db2.gz JOZBHSKZYSNMFK-NXWXRZEISA-N 0 3 370.497 3.147 20 30 FGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000329715035 497876691 /nfs/dbraw/zinc/87/66/91/497876691.db2.gz UIGVGBBHIJKYMZ-JFIYKMOQSA-N 0 3 364.534 3.384 20 30 FGEDHN CN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000569458561 505940802 /nfs/dbraw/zinc/94/08/02/505940802.db2.gz FMQNZWDXDOKJEZ-YADHBBJMSA-N 0 3 361.489 3.492 20 30 FGEDHN Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000329737351 497883854 /nfs/dbraw/zinc/88/38/54/497883854.db2.gz MBUBEDDKPRMBBT-QAPCUYQASA-N 0 3 356.495 3.280 20 30 FGEDHN Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000329737351 497883864 /nfs/dbraw/zinc/88/38/64/497883864.db2.gz MBUBEDDKPRMBBT-QAPCUYQASA-N 0 3 356.495 3.280 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000329750545 497888219 /nfs/dbraw/zinc/88/82/19/497888219.db2.gz VBPKEMMHDHULEN-XCLNPWKQSA-N 0 3 357.498 3.283 20 30 FGEDHN N#Cc1ccc(CNCCNC(=O)c2ccccc2F)c(C(F)(F)F)c1 ZINC000575240237 505949473 /nfs/dbraw/zinc/94/94/73/505949473.db2.gz PIRGTUPUYVRRMN-UHFFFAOYSA-N 0 3 365.330 3.236 20 30 FGEDHN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000329863539 497932695 /nfs/dbraw/zinc/93/26/95/497932695.db2.gz RYLHRJPNISRIIE-FUHWJXTLSA-N 0 3 356.445 3.275 20 30 FGEDHN CC[C@H](C)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000296164445 497940885 /nfs/dbraw/zinc/94/08/85/497940885.db2.gz TUJZINFNCSSRRM-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000329928127 497956079 /nfs/dbraw/zinc/95/60/79/497956079.db2.gz MEMHKHLITSQPOX-CQSZACIVSA-N 0 3 359.861 3.242 20 30 FGEDHN C=CC[C@@H](C(=O)N1CCC(CCN2CCN(C)CC2)CC1)c1ccccc1 ZINC000364461039 497969350 /nfs/dbraw/zinc/96/93/50/497969350.db2.gz KIGRPIOUQPNXIO-JOCHJYFZSA-N 0 3 369.553 3.222 20 30 FGEDHN CCn1c2ccccc2nc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281015959 497988747 /nfs/dbraw/zinc/98/87/47/497988747.db2.gz VLEMMDIFLXONRN-CRAIPNDOSA-N 0 3 371.444 3.488 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000330085545 498015981 /nfs/dbraw/zinc/01/59/81/498015981.db2.gz CXEDLDLSQFZIHD-GUYCJALGSA-N 0 3 359.861 3.097 20 30 FGEDHN CS[C@@H]1CN(C(=O)Nc2c(C)noc2-c2ccccc2)C[C@H]1N(C)C ZINC000330161826 498044695 /nfs/dbraw/zinc/04/46/95/498044695.db2.gz RZUVYTUCPLVJEH-HUUCEWRRSA-N 0 3 360.483 3.173 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000289225221 498068122 /nfs/dbraw/zinc/06/81/22/498068122.db2.gz UQFLSJLPHJZXQE-UHFFFAOYSA-N 0 3 356.857 3.118 20 30 FGEDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H](O)C1CCCCC1 ZINC000330249150 498078799 /nfs/dbraw/zinc/07/87/99/498078799.db2.gz GNOUKUNLRBHHEC-WOJBJXKFSA-N 0 3 360.498 3.175 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281268558 498081304 /nfs/dbraw/zinc/08/13/04/498081304.db2.gz FQPNLTZWXGYTJG-VCNAKFCDSA-N 0 3 355.482 3.147 20 30 FGEDHN CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000285454952 498091019 /nfs/dbraw/zinc/09/10/19/498091019.db2.gz MOXDWOLVQXEMQB-MJGOQNOKSA-N 0 3 370.449 3.056 20 30 FGEDHN CNC(=O)NC(=O)CCN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000330426252 498131642 /nfs/dbraw/zinc/13/16/42/498131642.db2.gz JOBCGIUITIAQEB-AWEZNQCLSA-N 0 3 357.376 3.283 20 30 FGEDHN C=CCc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc(OC)c1OC ZINC000285586385 498138389 /nfs/dbraw/zinc/13/83/89/498138389.db2.gz BCVDAYVUONUBGD-YJBOKZPZSA-N 0 3 358.482 3.131 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)cc3ccccc32)CC1 ZINC000296659658 498142060 /nfs/dbraw/zinc/14/20/60/498142060.db2.gz XIXBPMUHFKTPGU-UHFFFAOYSA-N 0 3 365.477 3.243 20 30 FGEDHN CC(C)(C)OC(=O)N1C[C@H]2CCN(Cc3ccc(OCC#N)cc3)C[C@H]2C1 ZINC000289457575 498155047 /nfs/dbraw/zinc/15/50/47/498155047.db2.gz GESSTDMLDWDXEZ-MSOLQXFVSA-N 0 3 371.481 3.278 20 30 FGEDHN Cc1cccc2c1OC[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000289476082 498161153 /nfs/dbraw/zinc/16/11/53/498161153.db2.gz DXRALKKDEYBUOQ-HXUWFJFHSA-N 0 3 373.460 3.261 20 30 FGEDHN Cn1cc(CN2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1C#N ZINC000364829816 498163407 /nfs/dbraw/zinc/16/34/07/498163407.db2.gz GOFLOBMXNDPQCJ-RYQLBKOJSA-N 0 3 358.486 3.022 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000330877912 498210146 /nfs/dbraw/zinc/21/01/46/498210146.db2.gz GVFBUIMGOICSTE-LBPRGKRZSA-N 0 3 366.412 3.367 20 30 FGEDHN CCO[C@@H]1C[C@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000281607367 498211106 /nfs/dbraw/zinc/21/11/06/498211106.db2.gz OZPWQIINVNSEKZ-CEXWTWQISA-N 0 3 351.450 3.047 20 30 FGEDHN COC(=O)c1cc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc(C)c1C ZINC000330889209 498211778 /nfs/dbraw/zinc/21/17/78/498211778.db2.gz OAUOTEROTHECHZ-HNNXBMFYSA-N 0 3 361.486 3.298 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000578691974 505998511 /nfs/dbraw/zinc/99/85/11/505998511.db2.gz ULWYFRPLKLYMEH-TTYHFUOFSA-N 0 3 355.482 3.148 20 30 FGEDHN N#Cc1cc(C(=O)N2CCCN(C3CCCC3)CC2)cnc1C(F)(F)F ZINC000293106799 498270922 /nfs/dbraw/zinc/27/09/22/498270922.db2.gz HPGRAWBVQJPJCA-UHFFFAOYSA-N 0 3 366.387 3.063 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccco1 ZINC000575828143 506013090 /nfs/dbraw/zinc/01/30/90/506013090.db2.gz HRYRCDXOKSRDJP-ZMSDIMECSA-N 0 3 355.438 3.164 20 30 FGEDHN Cn1cc(CN[C@@H]2CCN(C3CC3)[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000365129829 498312737 /nfs/dbraw/zinc/31/27/37/498312737.db2.gz DHBJUXPRLWTDQE-UXHICEINSA-N 0 3 356.420 3.243 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293247186 498320157 /nfs/dbraw/zinc/32/01/57/498320157.db2.gz YWRSWBWHDQLOBT-UHFFFAOYSA-N 0 3 371.359 3.384 20 30 FGEDHN C=CCNC(=O)c1ccc(N2CCCN(Cc3ccccc3)C[C@@H]2C)nc1 ZINC000301918107 498327983 /nfs/dbraw/zinc/32/79/83/498327983.db2.gz WHOGJYPQTOPGAH-SFHVURJKSA-N 0 3 364.493 3.098 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CCO[C@H]2C2CC2)ccc1Cl ZINC000365192819 498343633 /nfs/dbraw/zinc/34/36/33/498343633.db2.gz SNBDCYWIMXRQGM-HKUYNNGSSA-N 0 3 361.873 3.052 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2ccc(C#N)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000365242302 498369390 /nfs/dbraw/zinc/36/93/90/498369390.db2.gz OGXVVWGZLOJNMQ-GHTZIAJQSA-N 0 3 369.488 3.336 20 30 FGEDHN COc1ccc([C@@H](CNc2nc3ccccn3c2C#N)N2CCCC2)cc1 ZINC000302059012 498389358 /nfs/dbraw/zinc/38/93/58/498389358.db2.gz AZLGCSMMPJPKPZ-LJQANCHMSA-N 0 3 361.449 3.464 20 30 FGEDHN COc1ccc(CN(C)C[C@@H](O)Cc2ccccc2)cc1OCCCC#N ZINC000293519660 498402546 /nfs/dbraw/zinc/40/25/46/498402546.db2.gz AXQVLAFWFXCOQO-FQEVSTJZSA-N 0 3 368.477 3.413 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000361666665 498417040 /nfs/dbraw/zinc/41/70/40/498417040.db2.gz BRSSNPDPDXLDAP-MRXNPFEDSA-N 0 3 367.449 3.042 20 30 FGEDHN Cc1cc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)c(C#N)cc1N(C)C ZINC000578848300 506035653 /nfs/dbraw/zinc/03/56/53/506035653.db2.gz FZADCUHEGPNBCF-HNNXBMFYSA-N 0 3 369.513 3.271 20 30 FGEDHN C=CCc1cc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc(OC)c1O ZINC000569893026 506039731 /nfs/dbraw/zinc/03/97/31/506039731.db2.gz YVDKNEYBKWWXSN-SIKLNZKXSA-N 0 3 353.462 3.385 20 30 FGEDHN N#Cc1c(F)ccc(CNC2CCN(C(=O)c3ccoc3)CC2)c1Cl ZINC000365449679 498472755 /nfs/dbraw/zinc/47/27/55/498472755.db2.gz CJDZUPVZRHGPMB-UHFFFAOYSA-N 0 3 361.804 3.338 20 30 FGEDHN CO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1 ZINC000282419165 498504014 /nfs/dbraw/zinc/50/40/14/498504014.db2.gz QROAGBXYSSFXHE-KGLIPLIRSA-N 0 3 361.511 3.326 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365520012 498510000 /nfs/dbraw/zinc/51/00/00/498510000.db2.gz WUUINIJXTGLBMB-UHFFFAOYSA-N 0 3 353.426 3.430 20 30 FGEDHN C[C@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000282438996 498512589 /nfs/dbraw/zinc/51/25/89/498512589.db2.gz MWZDPKFVCWMLAP-MAUKXSAKSA-N 0 3 367.424 3.028 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302682276 498532540 /nfs/dbraw/zinc/53/25/40/498532540.db2.gz SJHVMXLTBXUAPZ-CQSZACIVSA-N 0 3 354.420 3.263 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000302797975 498579297 /nfs/dbraw/zinc/57/92/97/498579297.db2.gz RGPONFUEPDALSU-GOSISDBHSA-N 0 3 366.421 3.169 20 30 FGEDHN Cc1csc([C@@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)n1 ZINC000332147069 498579981 /nfs/dbraw/zinc/57/99/81/498579981.db2.gz HUTYEJUEZRHNKA-MSOLQXFVSA-N 0 3 364.474 3.412 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000569976022 506060068 /nfs/dbraw/zinc/06/00/68/506060068.db2.gz WZJUUKDRGRESHD-KRWDZBQOSA-N 0 3 363.299 3.246 20 30 FGEDHN COc1ccc([C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)N(C)C)cc1OC ZINC000290585649 498608747 /nfs/dbraw/zinc/60/87/47/498608747.db2.gz WORKRLUQNSSTPE-KRWDZBQOSA-N 0 3 370.409 3.198 20 30 FGEDHN Cc1nc(C)c(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000332496219 498704156 /nfs/dbraw/zinc/70/41/56/498704156.db2.gz XDIRNQVHIQWNNX-UHFFFAOYSA-N 0 3 354.479 3.482 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000287354125 498727833 /nfs/dbraw/zinc/72/78/33/498727833.db2.gz MTBPAOMEFDYMPS-JXFKEZNVSA-N 0 3 366.465 3.080 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C#N)cc1Cl ZINC000366008340 498729298 /nfs/dbraw/zinc/72/92/98/498729298.db2.gz KAFOFGGEBQXPKF-DZGCQCFKSA-N 0 3 368.868 3.240 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000287432844 498753571 /nfs/dbraw/zinc/75/35/71/498753571.db2.gz VUCUMXPHAQRUET-JKIFEVAISA-N 0 3 363.483 3.415 20 30 FGEDHN N#CC1(CCCN2CCN(c3cncc4ccccc43)CC2)CCOCC1 ZINC000283062393 498764628 /nfs/dbraw/zinc/76/46/28/498764628.db2.gz KAHVLYDBZCPNJO-UHFFFAOYSA-N 0 3 364.493 3.457 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1C ZINC000283130194 498790497 /nfs/dbraw/zinc/79/04/97/498790497.db2.gz ZEWCEXKGSTZKCQ-FZMZJTMJSA-N 0 3 370.375 3.403 20 30 FGEDHN C=CCC[C@@H](CO)NCc1cc(Br)c(OCC)c(OC)c1 ZINC000320835154 498810956 /nfs/dbraw/zinc/81/09/56/498810956.db2.gz AXAQTYMMAWIBDV-ZDUSSCGKSA-N 0 3 358.276 3.273 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000324317284 498827109 /nfs/dbraw/zinc/82/71/09/498827109.db2.gz UAFPEXIIMGNIQG-INIZCTEOSA-N 0 3 350.422 3.425 20 30 FGEDHN CO[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1(C)C ZINC000294928353 498852662 /nfs/dbraw/zinc/85/26/62/498852662.db2.gz GBZNRARXUMAFLJ-GOSISDBHSA-N 0 3 353.470 3.106 20 30 FGEDHN CCN1CCC[C@@H](CN(C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 ZINC000328640208 498885637 /nfs/dbraw/zinc/88/56/37/498885637.db2.gz PVTUAWFTGLFMKK-HNAYVOBHSA-N 0 3 357.527 3.258 20 30 FGEDHN COC(=O)c1ccc(CN[C@H]2CC[C@@H](CC#N)C2)c(Br)c1 ZINC000295031662 498886529 /nfs/dbraw/zinc/88/65/29/498886529.db2.gz LQFZENZFVJNIBX-FZMZJTMJSA-N 0 3 351.244 3.408 20 30 FGEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](CO)c1ccccc1 ZINC000295071639 498899052 /nfs/dbraw/zinc/89/90/52/498899052.db2.gz PICLQGUJYSAMJD-FQEVSTJZSA-N 0 3 361.449 3.024 20 30 FGEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000328736929 498920618 /nfs/dbraw/zinc/92/06/18/498920618.db2.gz LLIWGNYUIRQRJH-QFBILLFUSA-N 0 3 357.498 3.255 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000283575819 498928936 /nfs/dbraw/zinc/92/89/36/498928936.db2.gz KCUIGNCYMNTSBA-UHFFFAOYSA-N 0 3 355.663 3.386 20 30 FGEDHN COc1cc(CN(C)CCC(=O)Nc2ccccc2C#N)cc(OC)c1 ZINC000299110113 498966916 /nfs/dbraw/zinc/96/69/16/498966916.db2.gz AKWCKTHYXFDQOY-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)CCC2 ZINC000328878929 498971096 /nfs/dbraw/zinc/97/10/96/498971096.db2.gz JLYIFGSTWZEUCK-IPMKNSEASA-N 0 3 367.497 3.018 20 30 FGEDHN CN1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)[C@@H](c2ccccc2)C1 ZINC000328922739 498985807 /nfs/dbraw/zinc/98/58/07/498985807.db2.gz MQSJCGOJRUVCMF-QRVBRYPASA-N 0 3 371.525 3.325 20 30 FGEDHN C[C@@H](NC(=O)N1CCCC12CCN(C)CC2)c1ccccc1-n1cccn1 ZINC000329067785 499031723 /nfs/dbraw/zinc/03/17/23/499031723.db2.gz MCVYEYIJPMKMSK-QGZVFWFLSA-N 0 3 367.497 3.408 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000329183877 499065211 /nfs/dbraw/zinc/06/52/11/499065211.db2.gz OCRUTYCUTQVZMC-KWCYVHTRSA-N 0 3 369.387 3.155 20 30 FGEDHN Cn1cc(CCN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000329209439 499072507 /nfs/dbraw/zinc/07/25/07/499072507.db2.gz YKGOSRIPIOOVCK-QGZVFWFLSA-N 0 3 370.501 3.344 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329253739 499084741 /nfs/dbraw/zinc/08/47/41/499084741.db2.gz ZIYUZMDLKSRKFD-JYYAWHABSA-N 0 3 352.523 3.144 20 30 FGEDHN COC(=O)c1ccc(NC[C@H](c2ccc(SC)cc2)N(C)C)c(C#N)n1 ZINC000579258631 506131225 /nfs/dbraw/zinc/13/12/25/506131225.db2.gz URFHDVTVRKAJKG-GOSISDBHSA-N 0 3 370.478 3.177 20 30 FGEDHN COc1ccc2[nH]c(=NC(=O)N3CC[C@@H](N4CCCCC4)C3)sc2c1 ZINC000329324261 499099008 /nfs/dbraw/zinc/09/90/08/499099008.db2.gz SJJYSRJUAPEAOJ-CYBMUJFWSA-N 0 3 360.483 3.411 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329328567 499100446 /nfs/dbraw/zinc/10/04/46/499100446.db2.gz UYUOJDMTADASQU-ICSRJNTNSA-N 0 3 355.482 3.048 20 30 FGEDHN CCOc1ccccc1[C@H](CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)NC(C)=O ZINC000329413746 499117595 /nfs/dbraw/zinc/11/75/95/499117595.db2.gz DWYBOENOQOQMIL-WDSOQIARSA-N 0 3 373.497 3.046 20 30 FGEDHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@H]1CCCN1CC ZINC000329517791 499128894 /nfs/dbraw/zinc/12/88/94/499128894.db2.gz ZEUOZEIYVIKEPZ-PWIZWCRZSA-N 0 3 371.525 3.427 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CN1CCN([C@H]2CCSC2)CC1 ZINC000372676503 499159439 /nfs/dbraw/zinc/15/94/39/499159439.db2.gz QQHUQEICTZXNPP-NRFANRHFSA-N 0 3 366.534 3.031 20 30 FGEDHN C#CCCOc1ccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 ZINC000367348489 499185880 /nfs/dbraw/zinc/18/58/80/499185880.db2.gz IGGAPDNMTIJZEE-IBGZPJMESA-N 0 3 366.461 3.324 20 30 FGEDHN COCc1nccc([C@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000367418274 499196663 /nfs/dbraw/zinc/19/66/63/499196663.db2.gz GUWXYOSZEUIUFT-WMZOPIPTSA-N 0 3 366.465 3.293 20 30 FGEDHN C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370557001 499231383 /nfs/dbraw/zinc/23/13/83/499231383.db2.gz JBUCPWCRVZDUOD-CZUORRHYSA-N 0 3 369.494 3.136 20 30 FGEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3ccccc3Cl)C2)nc1 ZINC000370731516 499248997 /nfs/dbraw/zinc/24/89/97/499248997.db2.gz XNVRNXLOFOIAKE-HNNXBMFYSA-N 0 3 370.840 3.089 20 30 FGEDHN C=CCC[C@@H](NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1ccccc1 ZINC000370898865 499268612 /nfs/dbraw/zinc/26/86/12/499268612.db2.gz HJFBXBDZJSUXJC-NHCUHLMSSA-N 0 3 370.541 3.115 20 30 FGEDHN Cn1cc(CN2CCC[C@H](c3ccnn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000368404550 499292727 /nfs/dbraw/zinc/29/27/27/499292727.db2.gz WLEMEXSZGJYGNM-SFHVURJKSA-N 0 3 360.465 3.072 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)Nc2cnn(CCN3CCCCC3)c2)c1 ZINC000368608422 499312947 /nfs/dbraw/zinc/31/29/47/499312947.db2.gz OKJKRXGFYKZFLB-UHFFFAOYSA-N 0 3 357.845 3.146 20 30 FGEDHN C#CCOc1ccccc1CN(C)C1CCN(Cc2cc(C)no2)CC1 ZINC000371378271 499317266 /nfs/dbraw/zinc/31/72/66/499317266.db2.gz IFKFADZYGJPVAT-UHFFFAOYSA-N 0 3 353.466 3.091 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000371416661 499323704 /nfs/dbraw/zinc/32/37/04/499323704.db2.gz NPBOWWBAFDMNLA-UHFFFAOYSA-N 0 3 371.525 3.303 20 30 FGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)C12CCCCC2 ZINC000573207460 506143860 /nfs/dbraw/zinc/14/38/60/506143860.db2.gz XVJINSVGTRAQMX-ZWKOTPCHSA-N 0 3 353.470 3.161 20 30 FGEDHN C[C@@]1(CNC(=O)N2CCC(C)(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000369179106 499375012 /nfs/dbraw/zinc/37/50/12/499375012.db2.gz PUWAQWWOYQORHS-NRFANRHFSA-N 0 3 354.498 3.234 20 30 FGEDHN Cc1cc(NC(=O)c2cc(C#N)c[nH]2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000372081914 499397079 /nfs/dbraw/zinc/39/70/79/499397079.db2.gz SVNLQLCBUWTREY-SFHVURJKSA-N 0 3 374.448 3.091 20 30 FGEDHN C#CCOc1ccccc1CN1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000369428953 499402418 /nfs/dbraw/zinc/40/24/18/499402418.db2.gz UUCBILPKZSUHSG-KRWDZBQOSA-N 0 3 351.450 3.015 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@H]3CCC[C@@H]31)CCCC2 ZINC000369468722 499406105 /nfs/dbraw/zinc/40/61/05/499406105.db2.gz JWCGRJOYXXGQFP-IRXDYDNUSA-N 0 3 373.522 3.471 20 30 FGEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cccc(OCCCC#N)c1 ZINC000369637606 499429439 /nfs/dbraw/zinc/42/94/39/499429439.db2.gz IDUPAILWHZTUQC-SFHVURJKSA-N 0 3 357.498 3.054 20 30 FGEDHN C=CCN(C(=O)CCc1ccc(=O)[nH]c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373320403 499463341 /nfs/dbraw/zinc/46/33/41/499463341.db2.gz PYXSKTIUZJXYTQ-HXUWFJFHSA-N 0 3 365.477 3.009 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000373400017 499467583 /nfs/dbraw/zinc/46/75/83/499467583.db2.gz NZECOZZWICNVPS-KRWDZBQOSA-N 0 3 364.474 3.087 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nnc(-c3ccccc3)s2)cc1 ZINC000373432371 499469437 /nfs/dbraw/zinc/46/94/37/499469437.db2.gz QEVRIUMCRXPRFK-QGZVFWFLSA-N 0 3 373.441 3.075 20 30 FGEDHN COc1ccc(CN[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)cc1C#N ZINC000378428206 499516005 /nfs/dbraw/zinc/51/60/05/499516005.db2.gz RKCPCVMLKPUIOK-KXBFYZLASA-N 0 3 355.463 3.080 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000375622575 499538694 /nfs/dbraw/zinc/53/86/94/499538694.db2.gz FMXYLYSCXFETFE-UHFFFAOYSA-N 0 3 352.438 3.077 20 30 FGEDHN CC(C)n1ncc2c1[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000375668410 499543186 /nfs/dbraw/zinc/54/31/86/499543186.db2.gz GEHQBMGXXPHNJR-RBUKOAKNSA-N 0 3 361.449 3.212 20 30 FGEDHN N#Cc1cccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000391048882 499556405 /nfs/dbraw/zinc/55/64/05/499556405.db2.gz GAOCJEDLOFDIPL-SFHVURJKSA-N 0 3 366.421 3.169 20 30 FGEDHN CCCN(CCN1CCCCCC1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000582172856 506150656 /nfs/dbraw/zinc/15/06/56/506150656.db2.gz UMKQYQNOTJSACV-UHFFFAOYSA-N 0 3 356.514 3.352 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)C[C@H]21 ZINC000376168340 499588336 /nfs/dbraw/zinc/58/83/36/499588336.db2.gz WFTZPBPFKXTMHA-WIYYLYMNSA-N 0 3 360.461 3.039 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000377383428 499685618 /nfs/dbraw/zinc/68/56/18/499685618.db2.gz ICZIYNRAZPAEPC-WOJBJXKFSA-N 0 3 357.498 3.246 20 30 FGEDHN CCc1nccc([C@H]2CCCN(CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000377427819 499689606 /nfs/dbraw/zinc/68/96/06/499689606.db2.gz IPTAUQIHERBVEN-KRWDZBQOSA-N 0 3 363.465 3.119 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000377546567 499703038 /nfs/dbraw/zinc/70/30/38/499703038.db2.gz GERANQWOWBKRER-NXWXRZEISA-N 0 3 362.901 3.430 20 30 FGEDHN C=CCC[C@@H](NCCC(=O)NC(=O)NC)c1ccc(C(F)(F)F)cc1 ZINC000411477290 499745548 /nfs/dbraw/zinc/74/55/48/499745548.db2.gz CTIIIAKWPUZUCT-CQSZACIVSA-N 0 3 357.376 3.148 20 30 FGEDHN C[C@@H](CCCc1cccnc1)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411823114 499794904 /nfs/dbraw/zinc/79/49/04/499794904.db2.gz PHBHZLJFEKAFIE-YOEHRIQHSA-N 0 3 354.479 3.121 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000411877091 499798993 /nfs/dbraw/zinc/79/89/93/499798993.db2.gz QIKHNZSKQIBUJK-IBGZPJMESA-N 0 3 369.490 3.442 20 30 FGEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412015453 499813226 /nfs/dbraw/zinc/81/32/26/499813226.db2.gz SOADYDFLOFNZLW-VQTJNVASSA-N 0 3 352.482 3.301 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cccc(C#N)c1C ZINC000412573831 499864778 /nfs/dbraw/zinc/86/47/78/499864778.db2.gz NOOFJUPRNBVOJD-UHFFFAOYSA-N 0 3 353.422 3.068 20 30 FGEDHN Cc1c2c(nc(SCCCN3CCN(C(C)C)CC3)c1C#N)CCC2 ZINC000412990680 499903022 /nfs/dbraw/zinc/90/30/22/499903022.db2.gz QHIHMTPFKUNLAB-UHFFFAOYSA-N 0 3 358.555 3.259 20 30 FGEDHN N#CCc1ccc(NC(=O)NCCCNCc2cccnc2)c(Cl)c1 ZINC000415795595 499919340 /nfs/dbraw/zinc/91/93/40/499919340.db2.gz YKKAHLIYNVKQPF-UHFFFAOYSA-N 0 3 357.845 3.102 20 30 FGEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)N(C)C ZINC000413339410 499943185 /nfs/dbraw/zinc/94/31/85/499943185.db2.gz KWHBTFYISPLQGW-WOJBJXKFSA-N 0 3 351.450 3.287 20 30 FGEDHN N#Cc1ccc(CN(C(=O)CCN2CCc3ccccc3C2)C2CC2)cc1 ZINC000416134362 499953716 /nfs/dbraw/zinc/95/37/16/499953716.db2.gz JFKNDGZDRSGAHP-UHFFFAOYSA-N 0 3 359.473 3.498 20 30 FGEDHN CN(C)[C@H](CC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000416149108 499959588 /nfs/dbraw/zinc/95/95/88/499959588.db2.gz VWRVTXLDBHQEEQ-QGZVFWFLSA-N 0 3 352.438 3.396 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000416266533 500001110 /nfs/dbraw/zinc/00/11/10/500001110.db2.gz ZTEAOKHNRSSTDK-MSOLQXFVSA-N 0 3 350.418 3.105 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@H]1C1CC1 ZINC000413609667 500002215 /nfs/dbraw/zinc/00/22/15/500002215.db2.gz BXMGLNFHCUPGGM-RTWAWAEBSA-N 0 3 368.525 3.458 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](CSC)C2)c(OC)c1 ZINC000429290806 500044429 /nfs/dbraw/zinc/04/44/29/500044429.db2.gz DZYPVYXKJVSFLX-ROUUACIJSA-N 0 3 365.539 3.238 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](CSC)C2)c(OC)c1 ZINC000429290801 500044810 /nfs/dbraw/zinc/04/48/10/500044810.db2.gz DZYPVYXKJVSFLX-MSOLQXFVSA-N 0 3 365.539 3.238 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000425229797 500051002 /nfs/dbraw/zinc/05/10/02/500051002.db2.gz LPQONEQNTOJEIM-HZPDHXFCSA-N 0 3 372.469 3.182 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000416641741 500077417 /nfs/dbraw/zinc/07/74/17/500077417.db2.gz ZFVQGYMSHCHCOO-IBGZPJMESA-N 0 3 358.507 3.214 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000429476401 500083960 /nfs/dbraw/zinc/08/39/60/500083960.db2.gz UTPNCRJLDULWDS-MOPGFXCFSA-N 0 3 363.546 3.454 20 30 FGEDHN C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N1CCC[C@@H](C)C1 ZINC000416694727 500089684 /nfs/dbraw/zinc/08/96/84/500089684.db2.gz UIPUVOZBPSVNBB-GQIGUUNPSA-N 0 3 354.498 3.355 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000425539775 500138594 /nfs/dbraw/zinc/13/85/94/500138594.db2.gz UOKPWQMDHJXOQM-CQSZACIVSA-N 0 3 351.406 3.309 20 30 FGEDHN N#Cc1cccc2c1CCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000421965164 500186081 /nfs/dbraw/zinc/18/60/81/500186081.db2.gz JKBZIBXJOKWPHK-SFHVURJKSA-N 0 3 363.436 3.499 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000425834884 500203414 /nfs/dbraw/zinc/20/34/14/500203414.db2.gz PRCATXCKULARDG-PMACEKPBSA-N 0 3 354.498 3.068 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@@H](c2ccccc2)N(C)C1=O)C(C)C ZINC000430905980 500304926 /nfs/dbraw/zinc/30/49/26/500304926.db2.gz HCZBKKZBAXFXEX-RBUKOAKNSA-N 0 3 355.482 3.320 20 30 FGEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@@H](Cc2ccccc2)N(C)C1=O)C(C)C ZINC000430906187 500304968 /nfs/dbraw/zinc/30/49/68/500304968.db2.gz JABLXIQXOOACRF-WOJBJXKFSA-N 0 3 369.509 3.190 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419374639 500358500 /nfs/dbraw/zinc/35/85/00/500358500.db2.gz QDIOPSVWRDPJQP-MOPGFXCFSA-N 0 3 353.853 3.275 20 30 FGEDHN C=CC[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000427261596 500375222 /nfs/dbraw/zinc/37/52/22/500375222.db2.gz ZFDGWEHUVDRSHI-GGAORHGYSA-N 0 3 364.489 3.100 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)[C@H](C(F)(F)F)C1 ZINC000431721367 500414511 /nfs/dbraw/zinc/41/45/11/500414511.db2.gz HDOMZINPDHIWMR-KFWWJZLASA-N 0 3 371.378 3.415 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000424060076 500445558 /nfs/dbraw/zinc/44/55/58/500445558.db2.gz GVEIJLDYKGANDQ-SECBINFHSA-N 0 3 358.345 3.155 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000424100009 500452669 /nfs/dbraw/zinc/45/26/69/500452669.db2.gz KDFJWPBVDSIFJT-HNNXBMFYSA-N 0 3 364.287 3.008 20 30 FGEDHN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424104322 500453824 /nfs/dbraw/zinc/45/38/24/500453824.db2.gz UITSAQIONWKYOJ-QGZVFWFLSA-N 0 3 350.422 3.207 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3cscc3C#N)c(C)c2)CC1 ZINC000432031832 500457831 /nfs/dbraw/zinc/45/78/31/500457831.db2.gz LRDWZRSIPQXAMV-UHFFFAOYSA-N 0 3 354.479 3.322 20 30 FGEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(C(F)(F)F)c1 ZINC000424128193 500458116 /nfs/dbraw/zinc/45/81/16/500458116.db2.gz WHRSDMAFORGWDM-ZFWWWQNUSA-N 0 3 357.376 3.000 20 30 FGEDHN Cc1cc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)ccc1Br ZINC000424179232 500463924 /nfs/dbraw/zinc/46/39/24/500463924.db2.gz YLTAHVSNIGIBSF-CVEARBPZSA-N 0 3 364.287 3.442 20 30 FGEDHN CN(Cc1cccc(F)c1C#N)C1CCN(CCc2ccccn2)CC1 ZINC000428241336 500485614 /nfs/dbraw/zinc/48/56/14/500485614.db2.gz FHEFDABSPAAKBU-UHFFFAOYSA-N 0 3 352.457 3.231 20 30 FGEDHN C=CCC1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000424666801 500538689 /nfs/dbraw/zinc/53/86/89/500538689.db2.gz OMJXDOZHQAUGOW-UHFFFAOYSA-N 0 3 356.510 3.482 20 30 FGEDHN CCc1nc(C)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000432618026 500539365 /nfs/dbraw/zinc/53/93/65/500539365.db2.gz NRNXCFFQUQAICV-UHFFFAOYSA-N 0 3 371.510 3.481 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)OCC ZINC000573478529 506201674 /nfs/dbraw/zinc/20/16/74/506201674.db2.gz PRKIXLFYMCPCHK-QZTJIDSGSA-N 0 3 350.528 3.499 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@H]1CCCN1C ZINC000421016513 500554804 /nfs/dbraw/zinc/55/48/04/500554804.db2.gz YFAOCCFCWBBGSG-JKSUJKDBSA-N 0 3 360.527 3.045 20 30 FGEDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000421023406 500557008 /nfs/dbraw/zinc/55/70/08/500557008.db2.gz PRUAJEGBKCGBCE-RDJZCZTQSA-N 0 3 371.481 3.187 20 30 FGEDHN CN(CC(C)(C)C#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000432770602 500560815 /nfs/dbraw/zinc/56/08/15/500560815.db2.gz XAHZCGAJJHGYIF-UHFFFAOYSA-N 0 3 360.527 3.291 20 30 FGEDHN CN1CCN(c2ccc(C(F)(F)F)cc2CN[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781558 500625398 /nfs/dbraw/zinc/62/53/98/500625398.db2.gz MYEYMJZWWUVJAG-PBHICJAKSA-N 0 3 366.431 3.239 20 30 FGEDHN COc1cc(CN2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N ZINC000442883120 500639451 /nfs/dbraw/zinc/63/94/51/500639451.db2.gz UIJAGSCJQJTROB-QZTJIDSGSA-N 0 3 371.525 3.278 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000433231001 500651019 /nfs/dbraw/zinc/65/10/19/500651019.db2.gz IZKLQBWUKVSHKK-FQEVSTJZSA-N 0 3 358.445 3.304 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433299796 500665605 /nfs/dbraw/zinc/66/56/05/500665605.db2.gz RMHQYLIAILYRPH-UKRRQHHQSA-N 0 3 351.288 3.004 20 30 FGEDHN C[C@H](c1cccnc1)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433350457 500677961 /nfs/dbraw/zinc/67/79/61/500677961.db2.gz FQUKKZXLVZDPMA-QUCCMNQESA-N 0 3 362.477 3.059 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000433372228 500683575 /nfs/dbraw/zinc/68/35/75/500683575.db2.gz OEPSYZOSIUHGHO-IAGOWNOFSA-N 0 3 369.415 3.432 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000437787795 500695865 /nfs/dbraw/zinc/69/58/65/500695865.db2.gz LZWVPYCWFLGIFY-RZUBCFFCSA-N 0 3 371.525 3.322 20 30 FGEDHN Cc1cc(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)ccc1C#N ZINC000443906256 500776612 /nfs/dbraw/zinc/77/66/12/500776612.db2.gz IZAGRHAYPNROAZ-INIZCTEOSA-N 0 3 371.506 3.274 20 30 FGEDHN CCN(C(=O)c1cc(C#N)[nH]c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000448766621 500828037 /nfs/dbraw/zinc/82/80/37/500828037.db2.gz COCUBBQGKJZPQE-QFBILLFUSA-N 0 3 350.466 3.492 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000448768602 500828450 /nfs/dbraw/zinc/82/84/50/500828450.db2.gz QQKFYNNZGMWKGK-FQEVSTJZSA-N 0 3 350.466 3.398 20 30 FGEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc(C#N)c1Br ZINC000448798532 500837704 /nfs/dbraw/zinc/83/77/04/500837704.db2.gz HZCZZFIJTUEVEZ-ZDUSSCGKSA-N 0 3 352.276 3.027 20 30 FGEDHN COc1ccc(OC(F)F)c(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602570178 506220304 /nfs/dbraw/zinc/22/03/04/506220304.db2.gz WEWUOHASYWSBCM-ZDUSSCGKSA-N 0 3 354.397 3.485 20 30 FGEDHN N#CC1CCC(NCc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000602572772 506220374 /nfs/dbraw/zinc/22/03/74/506220374.db2.gz NAAUPVVLGJZKIN-UHFFFAOYSA-N 0 3 354.479 3.245 20 30 FGEDHN CCO[C@@H]1C[C@](CO)(NCC#Cc2ccc(OC(F)(F)F)cc2)C1(C)C ZINC000444798156 500902822 /nfs/dbraw/zinc/90/28/22/500902822.db2.gz FVNJPMBZJWHFLY-SJLPKXTDSA-N 0 3 371.399 3.092 20 30 FGEDHN CCO[C@H]1C[C@](CO)(NCC#Cc2ccc(OC(F)(F)F)cc2)C1(C)C ZINC000444798155 500902971 /nfs/dbraw/zinc/90/29/71/500902971.db2.gz FVNJPMBZJWHFLY-FUHWJXTLSA-N 0 3 371.399 3.092 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc(OC)c1OC ZINC000440138124 500980003 /nfs/dbraw/zinc/98/00/03/500980003.db2.gz VLLSZOJTZVJHLS-LJQANCHMSA-N 0 3 372.509 3.456 20 30 FGEDHN N#CCCCn1cc(C(=O)NC2CCN(C3CC3)CC2)c2ccccc21 ZINC000435495151 500985119 /nfs/dbraw/zinc/98/51/19/500985119.db2.gz ZKSMISFMIDGALK-UHFFFAOYSA-N 0 3 350.466 3.302 20 30 FGEDHN COc1cc(CNC[C@H](c2cccc(C)c2)N2CCOCC2)ccc1C#N ZINC000440806366 501050599 /nfs/dbraw/zinc/05/05/99/501050599.db2.gz LMTBKCXLDXYTGY-OAQYLSRUSA-N 0 3 365.477 3.038 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000446048909 501066759 /nfs/dbraw/zinc/06/67/59/501066759.db2.gz YZVJKQGTVQPBMR-UHFFFAOYSA-N 0 3 371.525 3.324 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cccnc2s1 ZINC000449756433 501077187 /nfs/dbraw/zinc/07/71/87/501077187.db2.gz QRHPNGATQUHZCO-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)n2C)CCN1Cc1ccccc1 ZINC000449907878 501123174 /nfs/dbraw/zinc/12/31/74/501123174.db2.gz QLDXFRGLSVVURC-SJLPKXTDSA-N 0 3 350.466 3.022 20 30 FGEDHN Cc1nsc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000436484806 501137327 /nfs/dbraw/zinc/13/73/27/501137327.db2.gz FLMLHNQCAHBLTM-AWEZNQCLSA-N 0 3 369.494 3.452 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442052900 501193764 /nfs/dbraw/zinc/19/37/64/501193764.db2.gz HIIKSQCGMUHXDB-GFCCVEGCSA-N 0 3 370.375 3.453 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1F ZINC000582469234 506240702 /nfs/dbraw/zinc/24/07/02/506240702.db2.gz LEOYTKCDWAIJGG-IBGZPJMESA-N 0 3 366.440 3.161 20 30 FGEDHN CC(=O)Nc1ccc(CN2CCC(Nc3c(C#N)cccc3C#N)CC2)cc1 ZINC000450785956 501209107 /nfs/dbraw/zinc/20/91/07/501209107.db2.gz PCHZGEWCJKXVGE-UHFFFAOYSA-N 0 3 373.460 3.465 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000450275727 501224101 /nfs/dbraw/zinc/22/41/01/501224101.db2.gz KMWJPBRGFKIHRU-UNMCSNQZSA-N 0 3 350.462 3.356 20 30 FGEDHN CC(C)(CC#N)CS(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000451003986 501238297 /nfs/dbraw/zinc/23/82/97/501238297.db2.gz VPKVGODHYVMDIX-UHFFFAOYSA-N 0 3 363.527 3.032 20 30 FGEDHN COc1c(C)cnc(CN(C)CCC(=O)Nc2sccc2C#N)c1C ZINC000451364885 501275673 /nfs/dbraw/zinc/27/56/73/501275673.db2.gz FCARAIKASYBRAB-UHFFFAOYSA-N 0 3 358.467 3.101 20 30 FGEDHN CC[C@@H](NCCn1cc(Br)ccc1=O)c1ccc(C#N)cc1 ZINC000453250215 501299249 /nfs/dbraw/zinc/29/92/49/501299249.db2.gz MMCDLIJOXYEHBX-MRXNPFEDSA-N 0 3 360.255 3.223 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](OCC)[C@@H](C)C1)C(C)C ZINC000457763024 501303792 /nfs/dbraw/zinc/30/37/92/501303792.db2.gz YWGFAUPZAFLXBL-OTWHNJEPSA-N 0 3 351.535 3.142 20 30 FGEDHN CO[C@H]1C[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC000451504010 501308099 /nfs/dbraw/zinc/30/80/99/501308099.db2.gz QOKXHOBXHNCWGA-ROUUACIJSA-N 0 3 372.513 3.433 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451503631 501308276 /nfs/dbraw/zinc/30/82/76/501308276.db2.gz QZFPGMXBKKANIX-WFXMLNOXSA-N 0 3 357.498 3.014 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000453359839 501319686 /nfs/dbraw/zinc/31/96/86/501319686.db2.gz PKFNUSKYHDSALN-IPELMVKDSA-N 0 3 366.527 3.101 20 30 FGEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453424400 501328461 /nfs/dbraw/zinc/32/84/61/501328461.db2.gz JEFHDQPELKSSAV-ZHALLVOQSA-N 0 3 369.513 3.009 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453423231 501328515 /nfs/dbraw/zinc/32/85/15/501328515.db2.gz CLTFSWMQSXIVBW-SFHVURJKSA-N 0 3 369.513 3.005 20 30 FGEDHN C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000453423265 501328570 /nfs/dbraw/zinc/32/85/70/501328570.db2.gz CRCBHXVAVHIHCF-GOSISDBHSA-N 0 3 359.518 3.160 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453427349 501329816 /nfs/dbraw/zinc/32/98/16/501329816.db2.gz VUPBOTGKRKURFE-SFHVURJKSA-N 0 3 369.513 3.272 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453468201 501340491 /nfs/dbraw/zinc/34/04/91/501340491.db2.gz XIXAZBAAYNEOEA-SPOLIRPYSA-N 0 3 373.545 3.261 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000451672021 501348011 /nfs/dbraw/zinc/34/80/11/501348011.db2.gz GYQUIBYTYYJTGY-MOPGFXCFSA-N 0 3 360.473 3.077 20 30 FGEDHN CN(C)[C@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)c1ccccc1 ZINC000596088184 506250406 /nfs/dbraw/zinc/25/04/06/506250406.db2.gz HXLKSFIMFMQGQC-LJQANCHMSA-N 0 3 350.466 3.395 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455919865 501415735 /nfs/dbraw/zinc/41/57/35/501415735.db2.gz MVBLTKFFZQRGED-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000452014652 501418839 /nfs/dbraw/zinc/41/88/39/501418839.db2.gz LEPNSOSWJYSUBM-ZMSDIMECSA-N 0 3 361.511 3.424 20 30 FGEDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000452112722 501437488 /nfs/dbraw/zinc/43/74/88/501437488.db2.gz GWABJMZXIMLRIL-IRXDYDNUSA-N 0 3 374.554 3.434 20 30 FGEDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000452122841 501440542 /nfs/dbraw/zinc/44/05/42/501440542.db2.gz UWJZIFLCJCJGMM-SJORKVTESA-N 0 3 374.554 3.291 20 30 FGEDHN C=CCCSCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000596093154 506253873 /nfs/dbraw/zinc/25/38/73/506253873.db2.gz SRTQNCZIWBUDQM-HNNXBMFYSA-N 0 3 353.557 3.494 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000454273935 501498914 /nfs/dbraw/zinc/49/89/14/501498914.db2.gz LNSOSTHJKHVLPA-GOSISDBHSA-N 0 3 362.477 3.222 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000454550696 501575463 /nfs/dbraw/zinc/57/54/63/501575463.db2.gz RJYLCLWXQAAICV-UHFFFAOYSA-N 0 3 351.853 3.197 20 30 FGEDHN C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000582506064 506261892 /nfs/dbraw/zinc/26/18/92/506261892.db2.gz LDJZINBPEGCHDH-LAUBAEHRSA-N 0 3 362.477 3.363 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598986669 506261980 /nfs/dbraw/zinc/26/19/80/506261980.db2.gz KFSGJMQBYLQBMG-LJQANCHMSA-N 0 3 354.498 3.085 20 30 FGEDHN Cn1c(C#N)ccc1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456786917 501598088 /nfs/dbraw/zinc/59/80/88/501598088.db2.gz FLXAVFZHSXMDNZ-UHFFFAOYSA-N 0 3 372.856 3.275 20 30 FGEDHN CN(C(=O)C(C#N)CCc1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC000456938104 501622762 /nfs/dbraw/zinc/62/27/62/501622762.db2.gz PHUJQAFMDLNAFY-MRXNPFEDSA-N 0 3 367.415 3.244 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1C#N ZINC000459572290 501678991 /nfs/dbraw/zinc/67/89/91/501678991.db2.gz UCHAKUQKIOHIJF-CZUORRHYSA-N 0 3 357.483 3.445 20 30 FGEDHN C=CCC[C@@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000457476957 501706247 /nfs/dbraw/zinc/70/62/47/501706247.db2.gz IJGQKQDNIADZFX-DLBZAZTESA-N 0 3 365.543 3.147 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000459774367 501712198 /nfs/dbraw/zinc/71/21/98/501712198.db2.gz JAEOTVHUXINYJZ-HHXXYDBFSA-N 0 3 366.465 3.335 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(C#N)cc1F)N(C)C ZINC000588339628 506273100 /nfs/dbraw/zinc/27/31/00/506273100.db2.gz IBYACCRSMOKDIJ-MGPUTAFESA-N 0 3 368.456 3.496 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2OC(F)(F)F)cc1 ZINC000470743949 501789719 /nfs/dbraw/zinc/78/97/19/501789719.db2.gz DWRBYIIUGGKYKN-MRXNPFEDSA-N 0 3 373.334 3.456 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CN1Cc1ccccc1 ZINC000467465302 501801000 /nfs/dbraw/zinc/80/10/00/501801000.db2.gz FLZCSULLYMFVSZ-KBXCAEBGSA-N 0 3 352.413 3.482 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460391079 501812642 /nfs/dbraw/zinc/81/26/42/501812642.db2.gz UPTHXKSVFMBSFI-IRXDYDNUSA-N 0 3 354.502 3.144 20 30 FGEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)c2cccc(Br)c2)C1=O ZINC000467512881 501813148 /nfs/dbraw/zinc/81/31/48/501813148.db2.gz JUVVLNFHUALSAL-CJNGLKHVSA-N 0 3 351.288 3.271 20 30 FGEDHN COc1ccc(Cl)cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470834289 501823130 /nfs/dbraw/zinc/82/31/30/501823130.db2.gz WLBZHHCEOCPIPW-HNNXBMFYSA-N 0 3 353.809 3.219 20 30 FGEDHN N#Cc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000481710307 501858838 /nfs/dbraw/zinc/85/88/38/501858838.db2.gz GWKICEDSRIBURU-SFHVURJKSA-N 0 3 352.413 3.483 20 30 FGEDHN CC[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000471040239 501900012 /nfs/dbraw/zinc/90/00/12/501900012.db2.gz SGJBQNZADGSGCX-HKUYNNGSSA-N 0 3 365.408 3.353 20 30 FGEDHN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000485698745 501905549 /nfs/dbraw/zinc/90/55/49/501905549.db2.gz VZEVDLHMLXBQBX-MRXNPFEDSA-N 0 3 369.490 3.291 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cc(F)c(F)c(F)c2)cc1 ZINC000471093543 501916792 /nfs/dbraw/zinc/91/67/92/501916792.db2.gz BEEPCIOAHUJMGI-HNNXBMFYSA-N 0 3 357.335 3.017 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(c3ccc(F)cc3F)CC2)cc1 ZINC000471090580 501916806 /nfs/dbraw/zinc/91/68/06/501916806.db2.gz JUOMIDPBLHFLJN-MRXNPFEDSA-N 0 3 365.383 3.367 20 30 FGEDHN COc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccc1OCCO ZINC000481915567 501917537 /nfs/dbraw/zinc/91/75/37/501917537.db2.gz MIVYXPBIOSJQEB-HXUWFJFHSA-N 0 3 366.461 3.495 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460808030 501926019 /nfs/dbraw/zinc/92/60/19/501926019.db2.gz WDPGOGRVWXDRCC-SJORKVTESA-N 0 3 364.497 3.312 20 30 FGEDHN C=CCOc1cccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000468108333 501959983 /nfs/dbraw/zinc/95/99/83/501959983.db2.gz CXIMWNNSQUXIRU-UHFFFAOYSA-N 0 3 365.477 3.402 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccco1 ZINC000461028042 501993199 /nfs/dbraw/zinc/99/31/99/501993199.db2.gz XPEIHLIOGHEKTR-RHSMWYFYSA-N 0 3 370.453 3.088 20 30 FGEDHN C[C@@H](CCN1CCN(c2ccc(C#N)cn2)CC1)OCc1ccccc1 ZINC000475046218 502034452 /nfs/dbraw/zinc/03/44/52/502034452.db2.gz HNGPSGYEKPLKMB-SFHVURJKSA-N 0 3 350.466 3.071 20 30 FGEDHN COc1cc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000461227687 502045672 /nfs/dbraw/zinc/04/56/72/502045672.db2.gz SDLYAUMMEUXRPJ-QRWLVFNGSA-N 0 3 366.465 3.057 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468507141 502085684 /nfs/dbraw/zinc/08/56/84/502085684.db2.gz WCPHDWXNYFUCDC-UHFFFAOYSA-N 0 3 374.444 3.417 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCN(C)[C@@H](C)CC ZINC000475266548 502111411 /nfs/dbraw/zinc/11/14/11/502111411.db2.gz SBAHETJEPVNNJQ-INIZCTEOSA-N 0 3 359.514 3.324 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000461443203 502116620 /nfs/dbraw/zinc/11/66/20/502116620.db2.gz GRSBVHOFCKQTFS-NHCUHLMSSA-N 0 3 359.473 3.461 20 30 FGEDHN C=C(C)COc1cc(CN(CCO)[C@@H]2CCCSC2)ccc1OC ZINC000475497547 502191949 /nfs/dbraw/zinc/19/19/49/502191949.db2.gz WVIVULQOVQBZNX-QGZVFWFLSA-N 0 3 351.512 3.340 20 30 FGEDHN C[C@@H](NCC(C)(C)c1c(F)cccc1Cl)C(=O)NC1(C#N)CCC1 ZINC000468850258 502206533 /nfs/dbraw/zinc/20/65/33/502206533.db2.gz DGNQHVZSLJMLEA-GFCCVEGCSA-N 0 3 351.853 3.297 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000468899612 502223240 /nfs/dbraw/zinc/22/32/40/502223240.db2.gz HTEQZIGFEPTLMG-QHAWAJNXSA-N 0 3 356.510 3.167 20 30 FGEDHN Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc(C#N)c(C)c3)CC2)no1 ZINC000475641836 502240927 /nfs/dbraw/zinc/24/09/27/502240927.db2.gz UTAGQECNCYTLKJ-LJQANCHMSA-N 0 3 353.470 3.045 20 30 FGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ncc(Br)cn1 ZINC000486787439 502261103 /nfs/dbraw/zinc/26/11/03/502261103.db2.gz PEPJXSHZPQAZHW-GXTWGEPZSA-N 0 3 373.254 3.189 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C#N)s3)cc2)CC1 ZINC000486798052 502266363 /nfs/dbraw/zinc/26/63/63/502266363.db2.gz FWTLLGJURYNYNF-UHFFFAOYSA-N 0 3 354.479 3.010 20 30 FGEDHN N#Cc1ccc(CNCCc2ccc(OCC(F)(F)F)nc2)c(F)c1 ZINC000479585343 502305789 /nfs/dbraw/zinc/30/57/89/502305789.db2.gz ASQNAJWJYKQFRK-UHFFFAOYSA-N 0 3 353.319 3.366 20 30 FGEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(OC)c1OC ZINC000483244164 502324765 /nfs/dbraw/zinc/32/47/65/502324765.db2.gz WNFUFNWNNAWRTB-ZDUSSCGKSA-N 0 3 363.373 3.146 20 30 FGEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CC1CC1)CC1CCC1 ZINC000483283132 502339295 /nfs/dbraw/zinc/33/92/95/502339295.db2.gz RLVNVLPJEGZCSA-UHFFFAOYSA-N 0 3 363.465 3.195 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C(C)(C)C)C2)cc1 ZINC000483603643 502441213 /nfs/dbraw/zinc/44/12/13/502441213.db2.gz TVOZXSCLTAYWPT-KBPBESRZSA-N 0 3 363.483 3.272 20 30 FGEDHN N#CC[C@H](CC(=O)N1CC[C@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000476329435 502458840 /nfs/dbraw/zinc/45/88/40/502458840.db2.gz CERJNFALZCTKLK-RTWAWAEBSA-N 0 3 369.509 3.177 20 30 FGEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000483685670 502463053 /nfs/dbraw/zinc/46/30/53/502463053.db2.gz PICXGPGBYLSMOU-QZTJIDSGSA-N 0 3 363.889 3.442 20 30 FGEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000483714376 502472446 /nfs/dbraw/zinc/47/24/46/502472446.db2.gz UYZKWSPIYXHYQU-ZMSDIMECSA-N 0 3 361.511 3.424 20 30 FGEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000483714369 502472583 /nfs/dbraw/zinc/47/25/83/502472583.db2.gz UYZKWSPIYXHYQU-HLLBOEOZSA-N 0 3 361.511 3.424 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C)(OCC)CC1)C(C)C ZINC000487832953 502541778 /nfs/dbraw/zinc/54/17/78/502541778.db2.gz IHFSWHDKRYLWPL-GOSISDBHSA-N 0 3 351.535 3.286 20 30 FGEDHN CCN(CC)CCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)C ZINC000484439609 502643302 /nfs/dbraw/zinc/64/33/02/502643302.db2.gz FTDIYQITWHXQSL-UHFFFAOYSA-N 0 3 364.921 3.450 20 30 FGEDHN N#Cc1ccc(C2(C(=O)N3CCN(CC4CCCCC4)CC3)CC2)cc1 ZINC000473663506 502671820 /nfs/dbraw/zinc/67/18/20/502671820.db2.gz XLPBNHMMJOUPFD-UHFFFAOYSA-N 0 3 351.494 3.314 20 30 FGEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000484646105 502695003 /nfs/dbraw/zinc/69/50/03/502695003.db2.gz ODWXGLBZVHCIOT-FBBABVLZSA-N 0 3 355.482 3.083 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484648214 502695809 /nfs/dbraw/zinc/69/58/09/502695809.db2.gz CXPZXSOWBHQEJB-RLLQIKCJSA-N 0 3 357.498 3.283 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000484652576 502697239 /nfs/dbraw/zinc/69/72/39/502697239.db2.gz PHBGLJJFCIENEO-SFHLNBCPSA-N 0 3 357.498 3.329 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000484652574 502697247 /nfs/dbraw/zinc/69/72/47/502697247.db2.gz PHBGLJJFCIENEO-SBHAEUEKSA-N 0 3 357.498 3.329 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccccn1 ZINC000588766014 506330743 /nfs/dbraw/zinc/33/07/43/506330743.db2.gz XVCACSBZCQJENS-UHFFFAOYSA-N 0 3 357.527 3.222 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@H]3COc4ccc(F)cc43)CC2)cc1 ZINC000463281741 502744337 /nfs/dbraw/zinc/74/43/37/502744337.db2.gz QIVKCWFBARKOOO-FQEVSTJZSA-N 0 3 351.425 3.385 20 30 FGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000481146689 502765349 /nfs/dbraw/zinc/76/53/49/502765349.db2.gz XQECWPYPYOQYEU-BBWFWOEESA-N 0 3 357.498 3.198 20 30 FGEDHN C=CCn1cccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000488731914 502794813 /nfs/dbraw/zinc/79/48/13/502794813.db2.gz JYLRMVNPYAIRIP-HDICACEKSA-N 0 3 359.514 3.026 20 30 FGEDHN C=CCn1cccc1C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000488930414 502841162 /nfs/dbraw/zinc/84/11/62/502841162.db2.gz FPBFICGCBLQFEK-GOSISDBHSA-N 0 3 367.493 3.304 20 30 FGEDHN C=CCN1CC[C@H](N(C)c2ccnc3cc(OCC)c(OCC)cc32)C1=O ZINC000513060606 502841940 /nfs/dbraw/zinc/84/19/40/502841940.db2.gz YHQPDBAKQFHVAZ-SFHVURJKSA-N 0 3 369.465 3.255 20 30 FGEDHN C=CCOc1cccc(CN[C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)c1 ZINC000513074845 502845689 /nfs/dbraw/zinc/84/56/89/502845689.db2.gz JDRAIEYJZAZLOY-UONOGXRCSA-N 0 3 374.510 3.418 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C1=Cc2cccc(OC)c2OC1)C(C)C ZINC000496016119 502869838 /nfs/dbraw/zinc/86/98/38/502869838.db2.gz YWAUWZGRYZLRDO-LJQANCHMSA-N 0 3 370.493 3.286 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889525 506339949 /nfs/dbraw/zinc/33/99/49/506339949.db2.gz WLLCZNWRRBZBQZ-GOSISDBHSA-N 0 3 374.444 3.378 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 ZINC000509545199 502931172 /nfs/dbraw/zinc/93/11/72/502931172.db2.gz RGFWMTKPEAHTNZ-UHFFFAOYSA-N 0 3 367.424 3.308 20 30 FGEDHN Cn1c2ccccc2cc(CN2CCC(Nc3ccccc3C#N)CC2)c1=O ZINC000602897725 506342679 /nfs/dbraw/zinc/34/26/79/506342679.db2.gz DGRKGGZRYBOFAS-UHFFFAOYSA-N 0 3 372.472 3.487 20 30 FGEDHN C=C[C@@H]1CCCCN1CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000489406083 502949613 /nfs/dbraw/zinc/94/96/13/502949613.db2.gz REMAJDLNYQOIBQ-OAQYLSRUSA-N 0 3 355.526 3.070 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000501227782 502962317 /nfs/dbraw/zinc/96/23/17/502962317.db2.gz NLPDAVBOXCMBIJ-QGZVFWFLSA-N 0 3 357.498 3.296 20 30 FGEDHN N#CC(C(=O)c1cnnn1Cc1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000513732156 503011439 /nfs/dbraw/zinc/01/14/39/503011439.db2.gz BNUASOHSQANXBA-CQSZACIVSA-N 0 3 371.322 3.230 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(F)c1C#N ZINC000489699579 503014071 /nfs/dbraw/zinc/01/40/71/503014071.db2.gz HDUMLGHAHPATKJ-MGPUTAFESA-N 0 3 351.425 3.338 20 30 FGEDHN CN(C)Cc1ccccc1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000506004599 503028233 /nfs/dbraw/zinc/02/82/33/503028233.db2.gz CSYKJKBUEXMMON-UHFFFAOYSA-N 0 3 353.441 3.353 20 30 FGEDHN C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCCC[C@@H]1C ZINC000501522672 503028730 /nfs/dbraw/zinc/02/87/30/503028730.db2.gz QODJNWQQVFCFJI-IRXDYDNUSA-N 0 3 374.554 3.354 20 30 FGEDHN COc1cccc(NC(=O)CCN2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602909110 506347757 /nfs/dbraw/zinc/34/77/57/506347757.db2.gz YDEPZEBQUJGCIA-UHFFFAOYSA-N 0 3 364.449 3.170 20 30 FGEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(OC)c(OC)c1 ZINC000506638269 503147357 /nfs/dbraw/zinc/14/73/57/503147357.db2.gz BWDXABOOEUMIPT-RDJZCZTQSA-N 0 3 373.497 3.476 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000498285573 503150473 /nfs/dbraw/zinc/15/04/73/503150473.db2.gz NOKKDYOBSXTHAC-WOJBJXKFSA-N 0 3 353.466 3.465 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502162172 503153412 /nfs/dbraw/zinc/15/34/12/503153412.db2.gz CGUBCOLPZNCUOC-MSOLQXFVSA-N 0 3 366.509 3.477 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506676136 503155088 /nfs/dbraw/zinc/15/50/88/503155088.db2.gz KDPVEKVOFFJXKW-UHFFFAOYSA-N 0 3 359.514 3.313 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000502172495 503155899 /nfs/dbraw/zinc/15/58/99/503155899.db2.gz IZBZKVFQLSMKBW-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(-c2cccc(C)c2)nn1)C(C)C ZINC000498371087 503171040 /nfs/dbraw/zinc/17/10/40/503171040.db2.gz DIPFEMCGOCXWQV-FQEVSTJZSA-N 0 3 367.497 3.004 20 30 FGEDHN CC[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000511014400 503235814 /nfs/dbraw/zinc/23/58/14/503235814.db2.gz KDTKNZGHBNKWPV-TZIWHRDSSA-N 0 3 363.461 3.279 20 30 FGEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2n[nH]cc2c1 ZINC000507214220 503252100 /nfs/dbraw/zinc/25/21/00/503252100.db2.gz QEMYCPQLGWURIA-JLTOFOAXSA-N 0 3 359.433 3.281 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000593053913 506362387 /nfs/dbraw/zinc/36/23/87/506362387.db2.gz CRXMUQFCSNQCQR-UHFFFAOYSA-N 0 3 355.335 3.253 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000511443097 503323307 /nfs/dbraw/zinc/32/33/07/503323307.db2.gz UPSMCAYWNAQWRP-GOSISDBHSA-N 0 3 361.461 3.161 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000507563077 503323608 /nfs/dbraw/zinc/32/36/08/503323608.db2.gz FJXOYMHCUIIUKJ-CQSZACIVSA-N 0 3 371.506 3.312 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H]2CCC2(C)C)c1C#N ZINC000515494970 503351193 /nfs/dbraw/zinc/35/11/93/503351193.db2.gz BDVMLMNQOWRIAP-KRWDZBQOSA-N 0 3 354.454 3.335 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000499211824 503356039 /nfs/dbraw/zinc/35/60/39/503356039.db2.gz IPLNVFYEHPYFQB-VQIMIIECSA-N 0 3 359.518 3.034 20 30 FGEDHN CC[C@@H]1C[C@@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000507816055 503372877 /nfs/dbraw/zinc/37/28/77/503372877.db2.gz YQLCAILWSPWCRJ-PKOBYXMFSA-N 0 3 364.493 3.434 20 30 FGEDHN CC[C@H]1C[C@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000507816054 503373374 /nfs/dbraw/zinc/37/33/74/503373374.db2.gz YQLCAILWSPWCRJ-MJGOQNOKSA-N 0 3 364.493 3.434 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000611937935 506368924 /nfs/dbraw/zinc/36/89/24/506368924.db2.gz BCIFZWVAWBQINU-OAQYLSRUSA-N 0 3 362.477 3.314 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000493261494 503416127 /nfs/dbraw/zinc/41/61/27/503416127.db2.gz UCDFGKDQRMBQOP-VAMGGRTRSA-N 0 3 360.498 3.176 20 30 FGEDHN C=CCN1CC[C@@H](N(C)[C@H](CC)Cc2ccccc2Br)C1=O ZINC000499637515 503447624 /nfs/dbraw/zinc/44/76/24/503447624.db2.gz QASCFQMLPHTZCM-NVXWUHKLSA-N 0 3 365.315 3.489 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)C1 ZINC000512103667 503457573 /nfs/dbraw/zinc/45/75/73/503457573.db2.gz FEINMYITIWMQIZ-LAUBAEHRSA-N 0 3 365.452 3.312 20 30 FGEDHN C=CCN1CC[C@@H](N(Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000499707848 503463253 /nfs/dbraw/zinc/46/32/53/503463253.db2.gz JPTAOTFWSIUAQU-QGZVFWFLSA-N 0 3 363.299 3.448 20 30 FGEDHN CN1C(=O)C[C@H](NCCOc2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000494205848 503502256 /nfs/dbraw/zinc/50/22/56/503502256.db2.gz SPHJOWJYZCQKAW-FXAWDEMLSA-N 0 3 369.852 3.152 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000494256409 503513636 /nfs/dbraw/zinc/51/36/36/503513636.db2.gz IZNPXLBKBWKZJO-QUCCMNQESA-N 0 3 353.853 3.468 20 30 FGEDHN CN1C(=O)C[C@H](NCCOc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000494270788 503517360 /nfs/dbraw/zinc/51/73/60/503517360.db2.gz KIINQPGBBPSUED-ICSRJNTNSA-N 0 3 369.852 3.152 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000508569134 503521340 /nfs/dbraw/zinc/52/13/40/503521340.db2.gz MUONTBLBQUCERT-DLBZAZTESA-N 0 3 367.415 3.427 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc(N2CCOCC2)s1 ZINC000494514429 503555063 /nfs/dbraw/zinc/55/50/63/503555063.db2.gz NZODELHQIHWAOL-GOSISDBHSA-N 0 3 354.479 3.019 20 30 FGEDHN CCC[C@@H](C)[C@H](CO)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000516654602 503561970 /nfs/dbraw/zinc/56/19/70/503561970.db2.gz OWVFOPQAPCJYSF-KDOFPFPSSA-N 0 3 365.905 3.282 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000504365590 503563346 /nfs/dbraw/zinc/56/33/46/503563346.db2.gz UQHPGVSHORIAKL-IBGZPJMESA-N 0 3 369.509 3.221 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508845575 503575383 /nfs/dbraw/zinc/57/53/83/503575383.db2.gz OILYJDMDDBJCLL-LJQANCHMSA-N 0 3 369.513 3.128 20 30 FGEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000500232510 503584409 /nfs/dbraw/zinc/58/44/09/503584409.db2.gz WOZBNIOSNSGADT-LLVKDONJSA-N 0 3 356.348 3.015 20 30 FGEDHN CC(C)(C)c1n[nH]cc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512604698 503593636 /nfs/dbraw/zinc/59/36/36/503593636.db2.gz OKXMMVYIPXYZJO-UHFFFAOYSA-N 0 3 365.481 3.430 20 30 FGEDHN C[C@@H](NCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512618559 503596589 /nfs/dbraw/zinc/59/65/89/503596589.db2.gz IYGYONCZWZUYKT-GOSISDBHSA-N 0 3 366.484 3.166 20 30 FGEDHN C[C@H](N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(C#N)cc1F ZINC000512647711 503602041 /nfs/dbraw/zinc/60/20/41/503602041.db2.gz JHHLRDBVAQOKAI-FXAWDEMLSA-N 0 3 367.468 3.291 20 30 FGEDHN Cc1ccc([C@H](CN[C@H](C)c2ccc(C#N)cc2F)N2CCOCC2)o1 ZINC000512655134 503605037 /nfs/dbraw/zinc/60/50/37/503605037.db2.gz RTWUEQOSJSTOMO-BEFAXECRSA-N 0 3 357.429 3.323 20 30 FGEDHN CCc1nn(C)c(CC)c1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000529682029 503653900 /nfs/dbraw/zinc/65/39/00/503653900.db2.gz ZMCUSAFNNPIIKC-UHFFFAOYSA-N 0 3 352.482 3.212 20 30 FGEDHN Cc1ccnc(NCCCOC2CCN(Cc3ccccc3)CC2)c1C#N ZINC000543208576 503680977 /nfs/dbraw/zinc/68/09/77/503680977.db2.gz SAYCQKWRUSWHNA-UHFFFAOYSA-N 0 3 364.493 3.167 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000527128363 503690715 /nfs/dbraw/zinc/69/07/15/503690715.db2.gz HXVCXFNPZPGZRJ-JKSUJKDBSA-N 0 3 365.399 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2OCc2ccncc2)CC1 ZINC000517304585 503709930 /nfs/dbraw/zinc/70/99/30/503709930.db2.gz MRSHMONZHCQAPI-UHFFFAOYSA-N 0 3 365.477 3.431 20 30 FGEDHN N#CCCCN[C@@H]1CCCOc2ccc(I)cc21 ZINC000543428370 503766467 /nfs/dbraw/zinc/76/64/67/503766467.db2.gz AHFFQPKLOKTDSL-CYBMUJFWSA-N 0 3 356.207 3.398 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](COc3ccccc3)C2)cc1 ZINC000527463213 503797773 /nfs/dbraw/zinc/79/77/73/503797773.db2.gz FYPWBMOJDYBJNS-VQTJNVASSA-N 0 3 359.429 3.168 20 30 FGEDHN N#Cc1ccc(CNCC2CCN(C(=O)c3ccccc3)CC2)c(F)c1 ZINC000533308915 503802234 /nfs/dbraw/zinc/80/22/34/503802234.db2.gz NUHLREOTQQWUSP-UHFFFAOYSA-N 0 3 351.425 3.339 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000546707841 503846885 /nfs/dbraw/zinc/84/68/85/503846885.db2.gz YLNYIXWOJQDEAJ-SFHVURJKSA-N 0 3 352.438 3.300 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000517994616 503883840 /nfs/dbraw/zinc/88/38/40/503883840.db2.gz VANGNPDLLHPOFF-UHFFFAOYSA-N 0 3 351.878 3.059 20 30 FGEDHN COc1cc(C[C@@H](CO)CN[C@H](C)c2ccc(C#N)c(F)c2)cc(OC)c1 ZINC000537408330 503905334 /nfs/dbraw/zinc/90/53/34/503905334.db2.gz VFBWTJFRJKKKTD-GDBMZVCRSA-N 0 3 372.440 3.216 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC000527767855 503933801 /nfs/dbraw/zinc/93/38/01/503933801.db2.gz BUSBLOXRWNUVAH-UHFFFAOYSA-N 0 3 367.415 3.424 20 30 FGEDHN C=C(C)COc1cc(CN[C@]2(CO)COc3ccccc3C2)ccc1OC ZINC000527769360 503934868 /nfs/dbraw/zinc/93/48/68/503934868.db2.gz MGMTUWNAHLTTSZ-JOCHJYFZSA-N 0 3 369.461 3.106 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3cccc(OC)c3)C(C)(C)C2)CC1 ZINC000527769147 503935556 /nfs/dbraw/zinc/93/55/56/503935556.db2.gz WYPYUVQYZARRHD-FQEVSTJZSA-N 0 3 371.525 3.481 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000530391397 503947604 /nfs/dbraw/zinc/94/76/04/503947604.db2.gz DSEWCMXKYCAUCE-GOSISDBHSA-N 0 3 369.509 3.174 20 30 FGEDHN C=C(C)COc1cc(CNCC(C)(C)C(=O)N2CCCC2)ccc1OC ZINC000527811105 503956251 /nfs/dbraw/zinc/95/62/51/503956251.db2.gz PDZOGSSGZPDASJ-UHFFFAOYSA-N 0 3 360.498 3.388 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000530525268 503997898 /nfs/dbraw/zinc/99/78/98/503997898.db2.gz OGBHJWFBOQDRFK-MOPGFXCFSA-N 0 3 366.427 3.290 20 30 FGEDHN CSc1cccc(F)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000518584618 504021011 /nfs/dbraw/zinc/02/10/11/504021011.db2.gz INCQAGOCUJOZEO-HNNXBMFYSA-N 0 3 353.422 3.418 20 30 FGEDHN Cc1c(Cl)cnc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1C#N ZINC000544143284 504025678 /nfs/dbraw/zinc/02/56/78/504025678.db2.gz VBAFBCQRZZYRTH-APWZRJJASA-N 0 3 370.884 3.210 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1cccc(N(C)C)c1 ZINC000534106400 504041489 /nfs/dbraw/zinc/04/14/89/504041489.db2.gz MNGPZKBXJDBXFX-OAQYLSRUSA-N 0 3 354.494 3.353 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000530676127 504050399 /nfs/dbraw/zinc/05/03/99/504050399.db2.gz YLSRGDFZRPGHQG-XLIONFOSSA-N 0 3 353.491 3.362 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000530721953 504065011 /nfs/dbraw/zinc/06/50/11/504065011.db2.gz RVCBGLXOIQVMBG-GOSISDBHSA-N 0 3 352.413 3.483 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)NCc3cccc(C#N)c3)cc2)CC1 ZINC000518892124 504086690 /nfs/dbraw/zinc/08/66/90/504086690.db2.gz KLESHDJAGHAALS-UHFFFAOYSA-N 0 3 362.477 3.019 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CC#N)CC1 ZINC000547387109 504086776 /nfs/dbraw/zinc/08/67/76/504086776.db2.gz TZQZTFBJAACMKH-FQEVSTJZSA-N 0 3 356.514 3.478 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518926022 504095391 /nfs/dbraw/zinc/09/53/91/504095391.db2.gz UIIJNIDKCCDSKK-INIZCTEOSA-N 0 3 364.449 3.350 20 30 FGEDHN COC[C@@]1(CN[C@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000519036814 504124678 /nfs/dbraw/zinc/12/46/78/504124678.db2.gz HXIWAYRPZGUCOQ-QVKFZJNVSA-N 0 3 354.425 3.463 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000538275352 504185172 /nfs/dbraw/zinc/18/51/72/504185172.db2.gz DMPONQWNLVTRRT-QUCCMNQESA-N 0 3 357.498 3.265 20 30 FGEDHN COc1ccccc1[C@H]1CCCN1C[C@@H](O)COc1ccccc1C#N ZINC000528370160 504192036 /nfs/dbraw/zinc/19/20/36/504192036.db2.gz AIZJNNBQGQFSCK-IEBWSBKVSA-N 0 3 352.434 3.144 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1OC ZINC000541760976 504245231 /nfs/dbraw/zinc/24/52/31/504245231.db2.gz NBPRPYFFUFAQCM-KRWDZBQOSA-N 0 3 356.470 3.456 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)ccc1OC ZINC000541760976 504245236 /nfs/dbraw/zinc/24/52/36/504245236.db2.gz NBPRPYFFUFAQCM-KRWDZBQOSA-N 0 3 356.470 3.456 20 30 FGEDHN Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)n(C2CCN(C)CC2)n1 ZINC000531427406 504302590 /nfs/dbraw/zinc/30/25/90/504302590.db2.gz ZAGPPZJBQSHURD-OAHLLOKOSA-N 0 3 366.469 3.213 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)Cc3cccc(C#N)c3)c2)CC1 ZINC000535062062 504330999 /nfs/dbraw/zinc/33/09/99/504330999.db2.gz YWXGESMUBYOKBT-UHFFFAOYSA-N 0 3 362.477 3.270 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC[C@@H]3[C@H]3CCC[C@H]3O)C2=O)cc1 ZINC000519806219 504346664 /nfs/dbraw/zinc/34/66/64/504346664.db2.gz DDDJJVVWHYIWLV-MXEMCNAFSA-N 0 3 367.493 3.069 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000545193889 504391768 /nfs/dbraw/zinc/39/17/68/504391768.db2.gz SZJSLVZVQYKUPE-UWJYYQICSA-N 0 3 359.473 3.227 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000545296825 504433829 /nfs/dbraw/zinc/43/38/29/504433829.db2.gz XWUONUIAPPVOSO-MAUKXSAKSA-N 0 3 364.449 3.351 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000520214091 504437609 /nfs/dbraw/zinc/43/76/09/504437609.db2.gz MBIUCRHXXRFVJY-QGZVFWFLSA-N 0 3 365.437 3.303 20 30 FGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528922396 504451466 /nfs/dbraw/zinc/45/14/66/504451466.db2.gz WMJDJDGLSSUHSE-KCITZHQASA-N 0 3 364.832 3.251 20 30 FGEDHN N#CC(=C([O-])c1ccc(-c2csnn2)cc1)c1nnc2n1CCCCC2 ZINC000528927216 504454058 /nfs/dbraw/zinc/45/40/58/504454058.db2.gz IVAXAIWBDRBVNV-AWEZNQCLSA-N 0 3 364.434 3.013 20 30 FGEDHN N#CC(C(=O)c1ccc(-c2csnn2)cc1)c1nnc2n1CCCCC2 ZINC000528927216 504454062 /nfs/dbraw/zinc/45/40/62/504454062.db2.gz IVAXAIWBDRBVNV-AWEZNQCLSA-N 0 3 364.434 3.013 20 30 FGEDHN COc1ccc2c(c1)CCN(CCOc1ccc(C#N)cc1OC)CC2 ZINC000535552705 504467708 /nfs/dbraw/zinc/46/77/08/504467708.db2.gz CPAWPBSUYDIPEH-UHFFFAOYSA-N 0 3 352.434 3.055 20 30 FGEDHN C[C@@]1(CNC(=O)N2CCC(CC#N)CC2)CCCN1Cc1ccccc1 ZINC000548617677 504498666 /nfs/dbraw/zinc/49/86/66/504498666.db2.gz UUIJBYYTEGNTCO-NRFANRHFSA-N 0 3 354.498 3.376 20 30 FGEDHN CC[C@@H](CC#N)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529035308 504503375 /nfs/dbraw/zinc/50/33/75/504503375.db2.gz IAGQQNXLFDZOLL-RCCFBDPRSA-N 0 3 368.506 3.167 20 30 FGEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000539241549 504509730 /nfs/dbraw/zinc/50/97/30/504509730.db2.gz XAMFPUNTVUAVLU-LEWJYISDSA-N 0 3 370.541 3.152 20 30 FGEDHN COc1ccccc1C[C@@H](NCC(=O)NCc1cccc(C#N)c1)C(C)C ZINC000542562445 504540858 /nfs/dbraw/zinc/54/08/58/504540858.db2.gz GHFRWSLTOGVPQY-HXUWFJFHSA-N 0 3 365.477 3.040 20 30 FGEDHN COCc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1C#N ZINC000529212899 504586832 /nfs/dbraw/zinc/58/68/32/504586832.db2.gz WUKKVLIGOBYPOI-UHFFFAOYSA-N 0 3 358.486 3.290 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)CC1 ZINC000536053497 504619388 /nfs/dbraw/zinc/61/93/88/504619388.db2.gz FYFNKECTWAIABN-UHFFFAOYSA-N 0 3 352.482 3.464 20 30 FGEDHN Cc1ccnc(OC2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000542974585 504679500 /nfs/dbraw/zinc/67/95/00/504679500.db2.gz POMAZBNVDXPZLI-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN CC(C)(C)c1ncc2c(n1)CCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000529679103 504759946 /nfs/dbraw/zinc/75/99/46/504759946.db2.gz ZCHCAQIWIPELNA-QGZVFWFLSA-N 0 3 362.477 3.431 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2Cc2cccc(OC)c2)CC1 ZINC000521585254 504760479 /nfs/dbraw/zinc/76/04/79/504760479.db2.gz YWGQQJARBROJLM-HXUWFJFHSA-N 0 3 371.525 3.452 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(Cc3ccccc3)CCC2)cc1 ZINC000521612616 504764517 /nfs/dbraw/zinc/76/45/17/504764517.db2.gz OIVCCUUQUMOIPL-UHFFFAOYSA-N 0 3 368.502 3.335 20 30 FGEDHN CC(C)N1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000553207303 504851886 /nfs/dbraw/zinc/85/18/86/504851886.db2.gz CQXYWJAAGBONNV-LJQANCHMSA-N 0 3 373.472 3.330 20 30 FGEDHN C=CCC1(c2nc(-c3ccc(N4CCCN(C)CC4)nc3)no2)CCC1 ZINC000565328248 504855051 /nfs/dbraw/zinc/85/50/51/504855051.db2.gz CPQCNLSJLIMERU-UHFFFAOYSA-N 0 3 353.470 3.271 20 30 FGEDHN C[C@@]1(NC(=O)NCCc2cccc(C#N)c2)CCN(Cc2ccccc2)C1 ZINC000565429171 504884810 /nfs/dbraw/zinc/88/48/10/504884810.db2.gz WACRQAOWKOAHRW-JOCHJYFZSA-N 0 3 362.477 3.065 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000549797990 504900376 /nfs/dbraw/zinc/90/03/76/504900376.db2.gz YDUPNHGWMZCVAP-QGZVFWFLSA-N 0 3 362.489 3.320 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N[C@@H]3C[C@@H](C)N(C4CC4)C3)c2c1 ZINC000553448393 504917942 /nfs/dbraw/zinc/91/79/42/504917942.db2.gz YGQXTGSXKJNSRZ-TZMCWYRMSA-N 0 3 352.438 3.161 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CCCCN3C3CC3)CC2)cc1 ZINC000556682108 504938519 /nfs/dbraw/zinc/93/85/19/504938519.db2.gz MXFPQKQFMDMBGJ-OAQYLSRUSA-N 0 3 364.493 3.374 20 30 FGEDHN CC[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1cccc(C)c1 ZINC000562989749 505011761 /nfs/dbraw/zinc/01/17/61/505011761.db2.gz RKGDODFTNPRRNT-GOSISDBHSA-N 0 3 372.490 3.088 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000553815601 505017783 /nfs/dbraw/zinc/01/77/83/505017783.db2.gz YDMUNHXZMXVGJF-YALNPMBYSA-N 0 3 350.528 3.300 20 30 FGEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000553914862 505042168 /nfs/dbraw/zinc/04/21/68/505042168.db2.gz VIDNDSVATXJKMB-UHFFFAOYSA-N 0 3 369.918 3.098 20 30 FGEDHN Cc1ccc(CNC[C@@H](O)CN(C)CCC#N)c(Oc2ccccc2)c1 ZINC000566112866 505085025 /nfs/dbraw/zinc/08/50/25/505085025.db2.gz UDIYBYMOZVCZSM-LJQANCHMSA-N 0 3 353.466 3.083 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC3CCC2CC3)cc1 ZINC000554321703 505144790 /nfs/dbraw/zinc/14/47/90/505144790.db2.gz ZCYXNMFPIPXDMF-QROZZAMVSA-N 0 3 361.467 3.073 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000560646807 505152236 /nfs/dbraw/zinc/15/22/36/505152236.db2.gz ZEIDDOXDCSRQCQ-IBGZPJMESA-N 0 3 366.465 3.082 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000561265456 505298458 /nfs/dbraw/zinc/29/84/58/505298458.db2.gz BCOIAYVJDNHUCX-UHFFFAOYSA-N 0 3 357.473 3.453 20 30 FGEDHN CN(C)C[C@H](NC(=O)NCC#Cc1ccccc1)c1ccc(Cl)cc1 ZINC000555113533 505352969 /nfs/dbraw/zinc/35/29/69/505352969.db2.gz RETLDPNLRGFEHC-IBGZPJMESA-N 0 3 355.869 3.294 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCC#Cc1cccc(F)c1 ZINC000555212382 505381549 /nfs/dbraw/zinc/38/15/49/505381549.db2.gz WCPIVEZBIGOCAF-UHFFFAOYSA-N 0 3 371.431 3.090 20 30 FGEDHN COc1ccc(CN2CCC[C@H](CCNC(C)=O)C2)cc1OCCCC#N ZINC000558422647 505385888 /nfs/dbraw/zinc/38/58/88/505385888.db2.gz DGDYKYYUJKSDSS-GOSISDBHSA-N 0 3 373.497 3.116 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccco1 ZINC000561611065 505390511 /nfs/dbraw/zinc/39/05/11/505390511.db2.gz RICAPLFUVIRNOY-IPELMVKDSA-N 0 3 364.449 3.079 20 30 FGEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C(F)(F)F)c1 ZINC000558566537 505425178 /nfs/dbraw/zinc/42/51/78/505425178.db2.gz PPLBJXHJGSEUCK-ZBFHGGJFSA-N 0 3 351.372 3.068 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000564571991 505457193 /nfs/dbraw/zinc/45/71/93/505457193.db2.gz ZDMMUAIFEDHBPC-HNNXBMFYSA-N 0 3 357.479 3.365 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cn2cc(C)ccc2n1)C(C)C ZINC000555860876 505528890 /nfs/dbraw/zinc/52/88/90/505528890.db2.gz QBNACIHFTQJRIY-LJQANCHMSA-N 0 3 369.513 3.141 20 30 FGEDHN CO[C@H](CNC[C@H](O)COc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000567683122 505535322 /nfs/dbraw/zinc/53/53/22/505535322.db2.gz HXQOETWXKRWBQL-AZUAARDMSA-N 0 3 374.868 3.123 20 30 FGEDHN CC(C)(CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000564844813 505536708 /nfs/dbraw/zinc/53/67/08/505536708.db2.gz QKJCYMUHOXXQHO-UHFFFAOYSA-N 0 3 360.454 3.038 20 30 FGEDHN COc1cc(CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)ccc1C#N ZINC000564869064 505544268 /nfs/dbraw/zinc/54/42/68/505544268.db2.gz NXKXSPIZAGPASV-AUUYWEPGSA-N 0 3 374.868 3.449 20 30 FGEDHN Cc1nn(-c2ccncc2)cc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000582718453 506383972 /nfs/dbraw/zinc/38/39/72/506383972.db2.gz LXRLZFAFLWCDCY-UHFFFAOYSA-N 0 3 374.492 3.011 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN[C@H]1CCCn3nccc31)CCCC2 ZINC000603027669 506386502 /nfs/dbraw/zinc/38/65/02/506386502.db2.gz MJBWXMCGCDKZGD-HNNXBMFYSA-N 0 3 369.494 3.148 20 30 FGEDHN COc1ccccc1[C@@H]1CCCCN1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599290725 506398288 /nfs/dbraw/zinc/39/82/88/506398288.db2.gz ZLKFTAMGDLMXAU-MJGOQNOKSA-N 0 3 358.482 3.294 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NCc3ccc(CN4CC[C@H](O)C4)cc3)c2c1 ZINC000596425284 506400275 /nfs/dbraw/zinc/40/02/75/506400275.db2.gz XOLQQNYUMJOKHH-FQEVSTJZSA-N 0 3 372.472 3.016 20 30 FGEDHN COc1cccc(C=C2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599310653 506407825 /nfs/dbraw/zinc/40/78/25/506407825.db2.gz YUKMUAKNVFBLJX-FQEVSTJZSA-N 0 3 370.493 3.246 20 30 FGEDHN CCc1ccc(C2=CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000599346121 506420717 /nfs/dbraw/zinc/42/07/17/506420717.db2.gz YJAVWQIJYAGZBR-NRFANRHFSA-N 0 3 354.494 3.409 20 30 FGEDHN CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)COc2ccccc2C#N)c1 ZINC000599350440 506422125 /nfs/dbraw/zinc/42/21/25/506422125.db2.gz SHTUWHIEOGDZTI-VQIMIIECSA-N 0 3 354.450 3.436 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(OC(F)F)cc1 ZINC000599351543 506424693 /nfs/dbraw/zinc/42/46/93/506424693.db2.gz ZUIDSZGLLHGJSY-CJNGLKHVSA-N 0 3 362.376 3.250 20 30 FGEDHN CCC[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000599353845 506424801 /nfs/dbraw/zinc/42/48/01/506424801.db2.gz KQJZFCZQWWZBCZ-CRAIPNDOSA-N 0 3 352.425 3.467 20 30 FGEDHN CC(C)(C)c1ccc2c(c1)CN(C[C@@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599357858 506426392 /nfs/dbraw/zinc/42/63/92/506426392.db2.gz XILUJKITENBHKY-FQEVSTJZSA-N 0 3 356.510 3.414 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccnc(C#N)c1 ZINC000603132851 506431518 /nfs/dbraw/zinc/43/15/18/506431518.db2.gz YWUHXXXFUHGFLU-GOSISDBHSA-N 0 3 363.465 3.329 20 30 FGEDHN N#CC1(CCCN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CCOCC1 ZINC000603146361 506437394 /nfs/dbraw/zinc/43/73/94/506437394.db2.gz RBYBYKQRSXDBMM-SJORKVTESA-N 0 3 370.415 3.211 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000612117071 506445075 /nfs/dbraw/zinc/44/50/75/506445075.db2.gz QBAWIPPOJYYYAQ-APWZRJJASA-N 0 3 360.527 3.295 20 30 FGEDHN CC(C)(NC[C@@H](O)CC1(C#N)CCOCC1)c1nc2ccccc2s1 ZINC000599534481 506490204 /nfs/dbraw/zinc/49/02/04/506490204.db2.gz ZQOZZYGXOVVWOP-AWEZNQCLSA-N 0 3 359.495 3.192 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C2 ZINC000593297251 506521635 /nfs/dbraw/zinc/52/16/35/506521635.db2.gz XRENERZQHJAENQ-GOSISDBHSA-N 0 3 366.490 3.482 20 30 FGEDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)c(OC)c1 ZINC000599600286 506524830 /nfs/dbraw/zinc/52/48/30/506524830.db2.gz KIDKOFKYMBQYAM-AWEZNQCLSA-N 0 3 353.422 3.255 20 30 FGEDHN CC(C)(CNC(=O)N1Cc2cccc(C#N)c2C1)N1CCc2ccccc2C1 ZINC000593313815 506533264 /nfs/dbraw/zinc/53/32/64/506533264.db2.gz UFPIQBMHLXPGHP-UHFFFAOYSA-N 0 3 374.488 3.420 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000596706672 506550890 /nfs/dbraw/zinc/55/08/90/506550890.db2.gz FCKNKQOZXLNRAW-UHFFFAOYSA-N 0 3 363.465 3.295 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000599657695 506557439 /nfs/dbraw/zinc/55/74/39/506557439.db2.gz KRUMVPNGKVMDDQ-SFHVURJKSA-N 0 3 370.541 3.301 20 30 FGEDHN Cc1ccc(NC(=O)NCCc2ccc(C#N)cc2)c(OCCN(C)C)c1 ZINC000596751357 506579964 /nfs/dbraw/zinc/57/99/64/506579964.db2.gz WFIRNBCHYLYIJA-UHFFFAOYSA-N 0 3 366.465 3.171 20 30 FGEDHN COc1ccc([C@H](NCCC(=O)Nc2ccc(C#N)cc2)C2CC2)cn1 ZINC000599696689 506587964 /nfs/dbraw/zinc/58/79/64/506587964.db2.gz FGLZYBDODIDIPL-HXUWFJFHSA-N 0 3 350.422 3.031 20 30 FGEDHN CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000603689360 506595401 /nfs/dbraw/zinc/59/54/01/506595401.db2.gz ITPFBTZIMTUHTI-UHFFFAOYSA-N 0 3 365.437 3.351 20 30 FGEDHN CSc1cc(C)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000596829307 506623498 /nfs/dbraw/zinc/62/34/98/506623498.db2.gz SDVXAYUVJPVWQG-UHFFFAOYSA-N 0 3 357.479 3.386 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000603840547 506630005 /nfs/dbraw/zinc/63/00/05/506630005.db2.gz SUTJRLIZOTVKHG-LEWJYISDSA-N 0 3 368.452 3.339 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)NCC3(C#N)CCCCC3)c2)CC1 ZINC000596843868 506632466 /nfs/dbraw/zinc/63/24/66/506632466.db2.gz LJVCITUMHHYYEW-UHFFFAOYSA-N 0 3 369.513 3.424 20 30 FGEDHN COc1cc(NC(=O)N2CCN(CC3CCCCC3)CC2)c(F)cc1C#N ZINC000599817375 506653617 /nfs/dbraw/zinc/65/36/17/506653617.db2.gz LJWIAWHOTCQCRR-UHFFFAOYSA-N 0 3 374.460 3.436 20 30 FGEDHN COc1cc(NC(=O)NCc2cccc(CN(C)C)c2)c(F)cc1C#N ZINC000599819555 506654712 /nfs/dbraw/zinc/65/47/12/506654712.db2.gz LFKKPWGWSHDWKG-UHFFFAOYSA-N 0 3 356.401 3.089 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CN(C)C ZINC000604147734 506728144 /nfs/dbraw/zinc/72/81/44/506728144.db2.gz CYRQEXMHAALLOT-OAQYLSRUSA-N 0 3 365.477 3.340 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](C#N)CCC#N ZINC000608866773 506731378 /nfs/dbraw/zinc/73/13/78/506731378.db2.gz TZRKWDWZRPTLQP-INIZCTEOSA-N 0 3 358.515 3.028 20 30 FGEDHN C=C(C)COc1cc(CN2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)ccc1OC ZINC000593698184 506738397 /nfs/dbraw/zinc/73/83/97/506738397.db2.gz ZCRIVLWYOCMFQO-ZWKOTPCHSA-N 0 3 359.466 3.281 20 30 FGEDHN C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)N1CCC[C@H](C)C1 ZINC000609083016 506772007 /nfs/dbraw/zinc/77/20/07/506772007.db2.gz KZZVTGFSUUYCLL-STQMWFEESA-N 0 3 366.412 3.402 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1 ZINC000609168732 506801406 /nfs/dbraw/zinc/80/14/06/506801406.db2.gz DUOQNNZYVATHGX-UHFFFAOYSA-N 0 3 362.433 3.358 20 30 FGEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC000590444340 506824144 /nfs/dbraw/zinc/82/41/44/506824144.db2.gz KTGAWPAQMQMFTG-QUCCMNQESA-N 0 3 361.445 3.435 20 30 FGEDHN C=CCc1cc(CNCc2ccc(CC(=O)OC)cc2)cc(OC)c1O ZINC000600188075 506831278 /nfs/dbraw/zinc/83/12/78/506831278.db2.gz UPELUWJNHNCAHN-UHFFFAOYSA-N 0 3 355.434 3.135 20 30 FGEDHN CCOc1ccc(OC[C@H](O)CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594031159 506895534 /nfs/dbraw/zinc/89/55/34/506895534.db2.gz XFVNCMNSBFTQCR-LJQANCHMSA-N 0 3 366.461 3.366 20 30 FGEDHN CS(=O)(=O)c1cccc(OCCNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594031467 506895585 /nfs/dbraw/zinc/89/55/85/506895585.db2.gz GVGIBDMGNFPECT-UHFFFAOYSA-N 0 3 370.474 3.010 20 30 FGEDHN CC(C)OC(=O)C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000594047801 506905206 /nfs/dbraw/zinc/90/52/06/506905206.db2.gz ZJFBAJJXMNAFHN-RBUKOAKNSA-N 0 3 371.481 3.010 20 30 FGEDHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1Cl ZINC000609595883 506937971 /nfs/dbraw/zinc/93/79/71/506937971.db2.gz LMOYFLZWDHWMOU-VQIMIIECSA-N 0 3 368.868 3.328 20 30 FGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000590829754 506986239 /nfs/dbraw/zinc/98/62/39/506986239.db2.gz UUMXKMAHGKXXBY-ICSRJNTNSA-N 0 3 354.498 3.355 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)Cc3c(F)cccc3C#N)c2)CC1 ZINC000583828846 506997508 /nfs/dbraw/zinc/99/75/08/506997508.db2.gz ZTABROYZTBVRTJ-UHFFFAOYSA-N 0 3 366.440 3.020 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594202876 507006085 /nfs/dbraw/zinc/00/60/85/507006085.db2.gz UGYFVXJYUJOIPC-NSHGMRRFSA-N 0 3 355.482 3.095 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594216242 507016007 /nfs/dbraw/zinc/01/60/07/507016007.db2.gz NXPDYBXWSMLTDC-UHFFFAOYSA-N 0 3 362.477 3.498 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000609854877 507024968 /nfs/dbraw/zinc/02/49/68/507024968.db2.gz NBGSQNDAINKPOP-UHFFFAOYSA-N 0 3 369.509 3.330 20 30 FGEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000597605693 507027765 /nfs/dbraw/zinc/02/77/65/507027765.db2.gz ROLBWLNYIBSOTL-QGZVFWFLSA-N 0 3 367.449 3.287 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594248065 507042098 /nfs/dbraw/zinc/04/20/98/507042098.db2.gz JKSAGBGBKXVZEW-ZCNNSNEGSA-N 0 3 352.482 3.252 20 30 FGEDHN Cc1nsc(NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1C#N ZINC000590966573 507064904 /nfs/dbraw/zinc/06/49/04/507064904.db2.gz RYJAFONHORJSCN-HNNXBMFYSA-N 0 3 355.467 3.061 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3ccco3)C2)c(OC)c1 ZINC000600684389 507065194 /nfs/dbraw/zinc/06/51/94/507065194.db2.gz FQTCLGIDCLPIQF-MSOLQXFVSA-N 0 3 357.450 3.246 20 30 FGEDHN CCOc1ccccc1Oc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cn1 ZINC000600714613 507078149 /nfs/dbraw/zinc/07/81/49/507078149.db2.gz ATQNSEXTLOGXND-KRWDZBQOSA-N 0 3 367.449 3.417 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000600732140 507089063 /nfs/dbraw/zinc/08/90/63/507089063.db2.gz XKCMZPKJERCRHK-IBGZPJMESA-N 0 3 367.424 3.222 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2csc(C(F)(F)F)c2)cc1 ZINC000600757846 507104081 /nfs/dbraw/zinc/10/40/81/507104081.db2.gz MLKJDJNGWDKESA-AWEZNQCLSA-N 0 3 370.396 3.362 20 30 FGEDHN CC(C)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C(=O)OC(C)(C)C ZINC000594392241 507109281 /nfs/dbraw/zinc/10/92/81/507109281.db2.gz GPZMBMGAYSQINR-ZWKOTPCHSA-N 0 3 358.482 3.489 20 30 FGEDHN COc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1Br ZINC000594424917 507125517 /nfs/dbraw/zinc/12/55/17/507125517.db2.gz DQQKSHBUNFDFKB-RISCZKNCSA-N 0 3 368.275 3.046 20 30 FGEDHN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@H](N)CCCCC#N ZINC000594430915 507129753 /nfs/dbraw/zinc/12/97/53/507129753.db2.gz DCKZQMRYFDLQHG-RTBURBONSA-N 0 3 365.481 3.467 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000594434802 507130752 /nfs/dbraw/zinc/13/07/52/507130752.db2.gz TWNVJKRCUXJJPG-HNNXBMFYSA-N 0 3 365.359 3.241 20 30 FGEDHN CCOc1cc(Br)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594433059 507130852 /nfs/dbraw/zinc/13/08/52/507130852.db2.gz KJIHEWDSIAGTQS-LBPRGKRZSA-N 0 3 354.248 3.198 20 30 FGEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594437107 507132615 /nfs/dbraw/zinc/13/26/15/507132615.db2.gz IATVBAXOWNUHEL-YJBOKZPZSA-N 0 3 353.470 3.131 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC000594440803 507134839 /nfs/dbraw/zinc/13/48/39/507134839.db2.gz ZPUFYIWDEIVQBJ-ZDUSSCGKSA-N 0 3 356.451 3.350 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000594445510 507137497 /nfs/dbraw/zinc/13/74/97/507137497.db2.gz GUMVUQZKPFXNGA-CYBMUJFWSA-N 0 3 361.243 3.347 20 30 FGEDHN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594447566 507139244 /nfs/dbraw/zinc/13/92/44/507139244.db2.gz YTUVAXMOXSSOHU-BXUZGUMPSA-N 0 3 368.275 3.046 20 30 FGEDHN Cc1ccccc1[C@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000584108912 507156891 /nfs/dbraw/zinc/15/68/91/507156891.db2.gz ZQDWMSWUWHILNS-IYARVYRRSA-N 0 3 354.475 3.176 20 30 FGEDHN N#CCCn1cc(CNC[C@H]2CCC3(CCCC3)O2)c(-c2ccncc2)n1 ZINC000594522917 507170578 /nfs/dbraw/zinc/17/05/78/507170578.db2.gz LSSIKJFASJNVAM-LJQANCHMSA-N 0 3 365.481 3.440 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000597926047 507177703 /nfs/dbraw/zinc/17/77/03/507177703.db2.gz ZVEHOWPAZVBMAZ-KRWDZBQOSA-N 0 3 365.481 3.066 20 30 FGEDHN CC(C)OCCN1CCC(Nc2c(C#N)cnc3c(F)ccc(F)c32)CC1 ZINC000610479294 507254968 /nfs/dbraw/zinc/25/49/68/507254968.db2.gz HDCVSTFTJGPXSM-UHFFFAOYSA-N 0 3 374.435 3.108 20 30 FGEDHN COCc1csc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000594731366 507257655 /nfs/dbraw/zinc/25/76/55/507257655.db2.gz RSYZWFBRAFLSGD-GOSISDBHSA-N 0 3 355.463 3.051 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(C)n1 ZINC000605904569 507302769 /nfs/dbraw/zinc/30/27/69/507302769.db2.gz ZGOQYOSLSOECIY-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000598239581 507337042 /nfs/dbraw/zinc/33/70/42/507337042.db2.gz VRFFWCYZMVXXQT-UFYCRDLUSA-N 0 3 350.466 3.020 20 30 FGEDHN COc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cc2c1OCO2 ZINC000594984719 507341814 /nfs/dbraw/zinc/34/18/14/507341814.db2.gz SANNOBORKJRHPB-UHFFFAOYSA-N 0 3 366.417 3.091 20 30 FGEDHN Cc1ccccc1C(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000591730022 507341870 /nfs/dbraw/zinc/34/18/70/507341870.db2.gz SBZSUCGMUJEVTO-UHFFFAOYSA-N 0 3 356.491 3.208 20 30 FGEDHN CC[C@H]1CN(C)c2ccccc2CN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000610676669 507342247 /nfs/dbraw/zinc/34/22/47/507342247.db2.gz URBINYPFAQPOAU-VQTJNVASSA-N 0 3 365.477 3.029 20 30 FGEDHN CSc1cc(Br)ccc1CNC1CCN(CC#N)CC1 ZINC000610677545 507344976 /nfs/dbraw/zinc/34/49/76/507344976.db2.gz ZPXDVTQJILVVCB-UHFFFAOYSA-N 0 3 354.317 3.249 20 30 FGEDHN CC[C@H](CSc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000591757039 507348596 /nfs/dbraw/zinc/34/85/96/507348596.db2.gz SJZBTTMBKCMHTJ-QGZVFWFLSA-N 0 3 374.531 3.492 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000591768317 507354302 /nfs/dbraw/zinc/35/43/02/507354302.db2.gz XHTWDDFHEQBSCD-HRAATJIYSA-N 0 3 372.415 3.438 20 30 FGEDHN C=CC[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595030758 507360101 /nfs/dbraw/zinc/36/01/01/507360101.db2.gz AJWQTMPZVOOHPV-PBHICJAKSA-N 0 3 352.456 3.093 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3ccccc3CC#N)cc2)CC1 ZINC000601555911 507386858 /nfs/dbraw/zinc/38/68/58/507386858.db2.gz BVYOXTPUAKTYCG-UHFFFAOYSA-N 0 3 363.461 3.156 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCN1C[C@H]2CCCCN2C1=O ZINC000595102146 507392742 /nfs/dbraw/zinc/39/27/42/507392742.db2.gz KLKSJIJXIKGCQB-QUCCMNQESA-N 0 3 352.482 3.205 20 30 FGEDHN N#Cc1ccc(CCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000595359671 507470819 /nfs/dbraw/zinc/47/08/19/507470819.db2.gz SDUDWTSBNCSSEK-UHFFFAOYSA-N 0 3 365.452 3.268 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@](C)(C#N)C2)c2cccs2)CC1 ZINC000595426524 507491147 /nfs/dbraw/zinc/49/11/47/507491147.db2.gz YEACSQMTUAQZSV-VQIMIIECSA-N 0 3 360.527 3.466 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(c3ccsc3)CC2)cc1 ZINC000614419246 507505081 /nfs/dbraw/zinc/50/50/81/507505081.db2.gz SAEFNODSVSIINE-LJQANCHMSA-N 0 3 356.491 3.433 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000595475553 507518538 /nfs/dbraw/zinc/51/85/38/507518538.db2.gz KJYPAXITRBZXET-WOJBJXKFSA-N 0 3 354.498 3.234 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN(CC)C1CC1 ZINC000606841897 507527498 /nfs/dbraw/zinc/52/74/98/507527498.db2.gz KTJSWEWVRWFFCQ-UHFFFAOYSA-N 0 3 356.388 3.484 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592185431 507527903 /nfs/dbraw/zinc/52/79/03/507527903.db2.gz ZEZQOFRGFLZWEU-IOBOIYPZSA-N 0 3 361.530 3.197 20 30 FGEDHN CC(C)N1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000584846958 507538921 /nfs/dbraw/zinc/53/89/21/507538921.db2.gz OQUWOWPOQDNNQR-HXUWFJFHSA-N 0 3 355.482 3.191 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000595535700 507549453 /nfs/dbraw/zinc/54/94/53/507549453.db2.gz JGCBCDICSKPCSE-IRXDYDNUSA-N 0 3 374.554 3.293 20 30 FGEDHN N#Cc1cccc(NC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000592263427 507569437 /nfs/dbraw/zinc/56/94/37/507569437.db2.gz RVMMYBFYHIRIOA-OAQYLSRUSA-N 0 3 361.449 3.083 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](CO)C2CCC2)c1C#N ZINC000595615914 507593722 /nfs/dbraw/zinc/59/37/22/507593722.db2.gz JVRQLGGFEMFDFO-LJQANCHMSA-N 0 3 372.513 3.171 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000592302008 507602194 /nfs/dbraw/zinc/60/21/94/507602194.db2.gz PQGWJLWCMXGOHN-SFHVURJKSA-N 0 3 361.461 3.379 20 30 FGEDHN CC(C)(NCCC(=O)NC(=O)Nc1ccccc1)c1cccc(C#N)c1 ZINC000595636584 507608100 /nfs/dbraw/zinc/60/81/00/507608100.db2.gz RIKHOVOXAVZPOP-UHFFFAOYSA-N 0 3 350.422 3.121 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCCc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000595685903 507627464 /nfs/dbraw/zinc/62/74/64/507627464.db2.gz KDEJMZOGYGAAIY-UTKZUKDTSA-N 0 3 362.477 3.063 20 30 FGEDHN CNC(=O)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Cc1ccc(F)cc1C ZINC000592391597 507634971 /nfs/dbraw/zinc/63/49/71/507634971.db2.gz GHWFMNCVTCYDTH-WMLDXEAASA-N 0 3 371.431 3.400 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000611386640 507655134 /nfs/dbraw/zinc/65/51/34/507655134.db2.gz QDTBTJXQVGIDMZ-JXFKEZNVSA-N 0 3 366.461 3.386 20 30 FGEDHN CS(=O)(=O)c1ccc(OCCN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611392509 507659475 /nfs/dbraw/zinc/65/94/75/507659475.db2.gz YWLNZMFTUMKWGE-HXUWFJFHSA-N 0 3 370.474 3.008 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000586795066 507674181 /nfs/dbraw/zinc/67/41/81/507674181.db2.gz LWUHRZSLZDTXDR-ICSRJNTNSA-N 0 3 352.482 3.205 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(Oc3ccccc3)c2)CC1 ZINC000592485688 507675343 /nfs/dbraw/zinc/67/53/43/507675343.db2.gz XECWUENFZCLVNW-UHFFFAOYSA-N 0 3 366.465 3.324 20 30 FGEDHN Cn1c2ccccc2cc(CNC2(c3cccc(C#N)c3)CCOCC2)c1=O ZINC000595768674 507676322 /nfs/dbraw/zinc/67/63/22/507676322.db2.gz KJMVMCKKLAPZGP-UHFFFAOYSA-N 0 3 373.456 3.206 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OCC)c(OC)c2)CC1 ZINC000592496048 507679659 /nfs/dbraw/zinc/67/96/59/507679659.db2.gz RIXIKUOEZNZZCB-HNNXBMFYSA-N 0 3 361.486 3.105 20 30 FGEDHN N#Cc1cnn2cc(CN3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cnc12 ZINC000592498456 507681217 /nfs/dbraw/zinc/68/12/17/507681217.db2.gz ZYUCINWSXRCOPX-QGZVFWFLSA-N 0 3 356.433 3.462 20 30 FGEDHN N#Cc1cnn2cc(CN3CCC[C@H](c4cc5ccccc5[nH]4)C3)cnc12 ZINC000592498435 507681735 /nfs/dbraw/zinc/68/17/35/507681735.db2.gz ZYUCINWSXRCOPX-KRWDZBQOSA-N 0 3 356.433 3.462 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3nc4c(s3)CCCC4)CC2)nc1 ZINC000611447498 507686716 /nfs/dbraw/zinc/68/67/16/507686716.db2.gz GMNITTNJZFWSCY-UHFFFAOYSA-N 0 3 353.495 3.047 20 30 FGEDHN CCO[C@H](C)c1nc(CN2CCN(C[C@H](C)CCC#N)CC2)cs1 ZINC000602480780 507720361 /nfs/dbraw/zinc/72/03/61/507720361.db2.gz BVBBQLNPEAZODP-HZPDHXFCSA-N 0 3 350.532 3.298 20 30 FGEDHN CCOC(=O)CC1(NCC#Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000595873784 507722347 /nfs/dbraw/zinc/72/23/47/507722347.db2.gz FNPIHKSPBXSZEE-UHFFFAOYSA-N 0 3 369.383 3.149 20 30 FGEDHN CCN(CCOc1ccccc1OC)CCC(=O)Nc1sccc1C#N ZINC000595876994 507723867 /nfs/dbraw/zinc/72/38/67/507723867.db2.gz GJURHKMTCFSVIF-UHFFFAOYSA-N 0 3 373.478 3.358 20 30 FGEDHN COCCN1CCC[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000479978378 561200438 /nfs/dbraw/zinc/20/04/38/561200438.db2.gz XCCLXPWRKKYKCO-MRXNPFEDSA-N 0 3 367.497 3.007 20 30 FGEDHN C[C@@H](CC[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000827412922 601348357 /nfs/dbraw/zinc/34/83/57/601348357.db2.gz VCOSWXAXXOEXSV-JXFKEZNVSA-N 0 3 351.450 3.184 20 30 FGEDHN Cc1csc(C(C#N)C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)n1 ZINC000076763815 700239693 /nfs/dbraw/zinc/23/96/93/700239693.db2.gz XHUJISOWGBXEKY-JKSUJKDBSA-N 0 3 353.447 3.127 20 30 FGEDHN N#CC(C(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000127878035 700767812 /nfs/dbraw/zinc/76/78/12/700767812.db2.gz IVLUNRFAEYLGJB-OAHLLOKOSA-N 0 3 355.375 3.034 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CC[C@H](C)O2)cc1Cl ZINC000173979987 705480820 /nfs/dbraw/zinc/48/08/20/705480820.db2.gz HYZUQUGQOJZLNA-FPMFFAJLSA-N 0 3 364.829 3.344 20 30 FGEDHN N#CC(C(=O)CCCc1ccc(Br)s1)C(=O)N1CCCC1 ZINC000177592613 705629189 /nfs/dbraw/zinc/62/91/89/705629189.db2.gz HJDFMTZROPGEHH-GFCCVEGCSA-N 0 3 369.284 3.165 20 30 FGEDHN CCc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181253469 705780421 /nfs/dbraw/zinc/78/04/21/705780421.db2.gz YDZURVSAQPPZEL-JTQLQIEISA-N 0 3 365.220 3.250 20 30 FGEDHN CCC[C@H](NCc1cccc(C#N)c1)C(=O)N1CCc2sccc2C1 ZINC000237034505 713587423 /nfs/dbraw/zinc/58/74/23/713587423.db2.gz FFHKRSBFGCFGTN-SFHVURJKSA-N 0 3 353.491 3.463 20 30 FGEDHN N#Cc1cc(Cl)cc(Br)c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804396173 724511622 /nfs/dbraw/zinc/51/16/22/724511622.db2.gz CWPLAAUUHMXSLJ-STQMWFEESA-N 0 3 370.678 3.249 20 30 FGEDHN C=CCOCCNCc1cn(-c2ccccc2Br)nc1C ZINC000655758057 719335856 /nfs/dbraw/zinc/33/58/56/719335856.db2.gz PIWSXCUXLCNPOG-UHFFFAOYSA-N 0 3 350.260 3.235 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Br)c2F)CC1 ZINC000667924319 721198134 /nfs/dbraw/zinc/19/81/34/721198134.db2.gz MGTXSBKUYDEASM-UHFFFAOYSA-N 0 3 356.239 3.360 20 30 FGEDHN C#CCN(C[C@@H]1CCOC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195305 722493704 /nfs/dbraw/zinc/49/37/04/722493704.db2.gz JJMJOUTYQMWODQ-BBRMVZONSA-N 0 3 350.256 3.244 20 30 FGEDHN CCCCCCCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000743579445 722569094 /nfs/dbraw/zinc/56/90/94/722569094.db2.gz HVTKOHMAHUSPMK-CQSZACIVSA-N 0 3 361.939 3.265 20 30 FGEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000747018178 722627308 /nfs/dbraw/zinc/62/73/08/722627308.db2.gz ATPOVMHBQKCDPJ-KRWDZBQOSA-N 0 3 356.809 3.247 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000753733210 722910872 /nfs/dbraw/zinc/91/08/72/722910872.db2.gz QTFOOTZYKMYCDH-PBHICJAKSA-N 0 3 357.903 3.436 20 30 FGEDHN Cc1cnc(CCN(C)CC(=O)C(C#N)c2nc3ccccc3s2)s1 ZINC000755052199 722949747 /nfs/dbraw/zinc/94/97/47/722949747.db2.gz COBBOAWAGNHBHR-ZDUSSCGKSA-N 0 3 370.503 3.412 20 30 FGEDHN C#C[C@H](CCC)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000791744962 723277084 /nfs/dbraw/zinc/27/70/84/723277084.db2.gz FBZIMSBSJBBYRK-SJLPKXTDSA-N 0 3 352.400 3.359 20 30 FGEDHN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000793127814 723402643 /nfs/dbraw/zinc/40/26/43/723402643.db2.gz YGWSFVTXIBPEHS-SWLSCSKDSA-N 0 3 352.356 3.262 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000767325623 723614847 /nfs/dbraw/zinc/61/48/47/723614847.db2.gz BIROJTRWNFDXNE-KRWDZBQOSA-N 0 3 352.400 3.450 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000796383906 723635709 /nfs/dbraw/zinc/63/57/09/723635709.db2.gz LKGOJMOMBQNJNX-UHFFFAOYSA-N 0 3 350.459 3.017 20 30 FGEDHN N#CC(C(=O)CCc1cnccn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000796634502 723647582 /nfs/dbraw/zinc/64/75/82/723647582.db2.gz INZLVQVOXAIRHF-GFCCVEGCSA-N 0 3 363.204 3.064 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)[C@H]1OCCc2sccc21 ZINC000796746298 723653125 /nfs/dbraw/zinc/65/31/25/723653125.db2.gz JSOIVIUAFIYNTQ-HNJNHCNJSA-N 0 3 360.479 3.156 20 30 FGEDHN N#Cc1cccc(C2(NC[C@@H](O)COCc3ccccc3Cl)CC2)c1 ZINC000775429612 723990842 /nfs/dbraw/zinc/99/08/42/723990842.db2.gz IXUGFMWFRYRBGB-GOSISDBHSA-N 0 3 356.853 3.368 20 30 FGEDHN CC(C)N1C(=O)C[C@H](NCCO[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801951639 724349456 /nfs/dbraw/zinc/34/94/56/724349456.db2.gz XWMMNESPCOXUAP-PUECVXPYSA-N 0 3 367.852 3.048 20 30 FGEDHN N#Cc1ncc(Br)cc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000787889939 725040157 /nfs/dbraw/zinc/04/01/57/725040157.db2.gz UOFYDZPVLUNYEC-OAHLLOKOSA-N 0 3 357.255 3.402 20 30 FGEDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000809967969 725279199 /nfs/dbraw/zinc/27/91/99/725279199.db2.gz XSUMESVRSAWODO-IBGZPJMESA-N 0 3 363.502 3.120 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1Cl ZINC000810533716 725313056 /nfs/dbraw/zinc/31/30/56/725313056.db2.gz UKXQQWXWLZZUPK-JQWIXIFHSA-N 0 3 352.843 3.139 20 30 FGEDHN C#Cc1ccccc1CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000810614325 725317992 /nfs/dbraw/zinc/31/79/92/725317992.db2.gz GJHDRMSMMZRWRM-UHFFFAOYSA-N 0 3 354.881 3.454 20 30 FGEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000813250907 726855292 /nfs/dbraw/zinc/85/52/92/726855292.db2.gz VPMCFAYHYSMYRT-MRXNPFEDSA-N 0 3 368.250 3.472 20 30 FGEDHN C#CCNC(=O)CCN(Cc1ccccc1Br)C1CCCC1 ZINC000815075414 727032478 /nfs/dbraw/zinc/03/24/78/727032478.db2.gz ZLFQGNFIAMOEFM-UHFFFAOYSA-N 0 3 363.299 3.333 20 30 FGEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000815909282 727106529 /nfs/dbraw/zinc/10/65/29/727106529.db2.gz WIGMMMYOYSILCV-UHTWSYAYSA-N 0 3 352.793 3.332 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000822475483 729179274 /nfs/dbraw/zinc/17/92/74/729179274.db2.gz GMLQVTJBPVJOPD-MRXNPFEDSA-N 0 3 368.308 3.422 20 30 FGEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC2(CCC2)O1 ZINC000830734248 729590076 /nfs/dbraw/zinc/59/00/76/729590076.db2.gz JMLPLJFJYAFJJP-UONOGXRCSA-N 0 3 355.463 3.116 20 30 FGEDHN CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)[N+](=O)[O-] ZINC000835064732 729854952 /nfs/dbraw/zinc/85/49/52/729854952.db2.gz HJRLRYOPKKKKCF-JTQLQIEISA-N 0 3 372.208 3.476 20 30 FGEDHN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000835340607 729880217 /nfs/dbraw/zinc/88/02/17/729880217.db2.gz NPEUHCWYYJTMCV-CABZTGNLSA-N 0 3 362.298 3.268 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000836425108 729955152 /nfs/dbraw/zinc/95/51/52/729955152.db2.gz SRFGWLNSWDAUIG-CQSZACIVSA-N 0 3 370.280 3.071 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000836487289 729957461 /nfs/dbraw/zinc/95/74/61/729957461.db2.gz CMTFJGIIHURNQR-AWEZNQCLSA-N 0 3 366.303 3.107 20 30 FGEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000838624090 730131732 /nfs/dbraw/zinc/13/17/32/730131732.db2.gz GSLOYVIRODCBSP-INIZCTEOSA-N 0 3 356.495 3.098 20 30 FGEDHN CC[C@H]1COC(C)(C)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000844388117 730711289 /nfs/dbraw/zinc/71/12/89/730711289.db2.gz WUDZUECXGOVPSQ-KBPBESRZSA-N 0 3 357.479 3.362 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2scc3c2OCCO3)cc1 ZINC000847624423 731071565 /nfs/dbraw/zinc/07/15/65/731071565.db2.gz VASSZSXRJCQRDE-ZDUSSCGKSA-N 0 3 356.403 3.043 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(S(C)(=O)=O)CCCCC2)c([O-])c1 ZINC000849172167 731233624 /nfs/dbraw/zinc/23/36/24/731233624.db2.gz NGDINDHLYWITJJ-XSFVSMFZSA-N 0 3 366.527 3.405 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000856153175 731988008 /nfs/dbraw/zinc/98/80/08/731988008.db2.gz NLTFVMAQQRLVNL-UHFFFAOYSA-N 0 3 357.198 3.011 20 30 FGEDHN COC1CC(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000860467650 732518341 /nfs/dbraw/zinc/51/83/41/732518341.db2.gz NEWDCLMNPMQLBS-OCTTZUBCSA-N 0 3 354.378 3.074 20 30 FGEDHN CCn1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1 ZINC000860473753 732519629 /nfs/dbraw/zinc/51/96/29/732519629.db2.gz RKBCZSAXUKUYPD-ZDUSSCGKSA-N 0 3 365.220 3.479 20 30 FGEDHN CC(C)[C@H](NC=O)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000860475430 732519690 /nfs/dbraw/zinc/51/96/90/732519690.db2.gz PHSXHWYQIUYKSI-ZFWWWQNUSA-N 0 3 361.854 3.410 20 30 FGEDHN C=CCN1CC(=O)N([C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000863530845 732974684 /nfs/dbraw/zinc/97/46/84/732974684.db2.gz JDXHFZFFFGAQJK-CQSZACIVSA-N 0 3 356.253 3.046 20 30 FGEDHN CC1(C)C[C@H](NCCNC(=O)C2N=CC=CC2=O)c2ccccc2S1 ZINC000872045498 735581306 /nfs/dbraw/zinc/58/13/06/735581306.db2.gz MZLLJSUTYYMQFL-YWMAMYRUSA-N 0 3 357.479 3.118 20 30 FGEDHN C=CCn1c(-c2ccco2)nn(CN2CCN(C)[C@@H](C(C)C)C2)c1=S ZINC000872738398 735668947 /nfs/dbraw/zinc/66/89/47/735668947.db2.gz KANGXDMCLMDDPS-OAHLLOKOSA-N 0 3 361.515 3.090 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000876550820 736112526 /nfs/dbraw/zinc/11/25/26/736112526.db2.gz LKUYKKXZAXTLJO-NSHDSACASA-N 0 3 367.858 3.236 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000876552836 736112960 /nfs/dbraw/zinc/11/29/60/736112960.db2.gz GNJXSOIKZUCJHA-HNNXBMFYSA-N 0 3 359.861 3.080 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000876606751 736120009 /nfs/dbraw/zinc/12/00/09/736120009.db2.gz JSPJZGRIPPKBEG-QGZVFWFLSA-N 0 3 363.889 3.292 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000876609687 736120596 /nfs/dbraw/zinc/12/05/96/736120596.db2.gz REDONLZDROCANQ-INIZCTEOSA-N 0 3 363.889 3.500 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000876614343 736121533 /nfs/dbraw/zinc/12/15/33/736121533.db2.gz KYHUWRGCOOWREC-INIZCTEOSA-N 0 3 364.852 3.077 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000876718726 736136330 /nfs/dbraw/zinc/13/63/30/736136330.db2.gz ZQMVAPYJTQKXTI-CQSZACIVSA-N 0 3 362.886 3.114 20 30 FGEDHN C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)[C@H](N)CCCC#N ZINC000877256098 736201675 /nfs/dbraw/zinc/20/16/75/736201675.db2.gz NHMKAOZIIZPPDN-AEFFLSMTSA-N 0 3 351.853 3.424 20 30 FGEDHN C[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCN1C(=O)OC(C)(C)C ZINC000877483139 736226384 /nfs/dbraw/zinc/22/63/84/736226384.db2.gz KILYSXHGZDWOCC-IUODEOHRSA-N 0 3 364.877 3.484 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880711426 737208790 /nfs/dbraw/zinc/20/87/90/737208790.db2.gz KKSBWLRGHCTQDR-UHFFFAOYSA-N 0 3 364.421 3.494 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Nc1cccc(CC#N)n1)c1ccsc1 ZINC000881155477 737295800 /nfs/dbraw/zinc/29/58/00/737295800.db2.gz YIVKUVLNBGCIFZ-MRXNPFEDSA-N 0 3 357.483 3.414 20 30 FGEDHN CC(C)COc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1Cl ZINC000884075025 737631018 /nfs/dbraw/zinc/63/10/18/737631018.db2.gz KIRFMWDBOGAEPK-SHYRYGCCSA-N 0 3 361.873 3.453 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC=C(c3ccc(Cl)cc3)CC1)C2 ZINC000884380902 737659607 /nfs/dbraw/zinc/65/96/07/737659607.db2.gz PGRARIJDHDNPGW-OHTSDLOESA-N 0 3 355.869 3.095 20 30 FGEDHN C[C@](CO)(NC[C@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1 ZINC000886236995 739234811 /nfs/dbraw/zinc/23/48/11/739234811.db2.gz SPBAEDGVSMSDPR-HZPDHXFCSA-N 0 3 357.281 3.235 20 30 FGEDHN C#CCN(C(=O)c1cc(Cl)cc2ccc(C)nc21)C1CCN(C)CC1 ZINC000886574815 739271147 /nfs/dbraw/zinc/27/11/47/739271147.db2.gz UYWHBPQDJJURML-UHFFFAOYSA-N 0 3 355.869 3.366 20 30 FGEDHN C#CCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)C1CCN(C)CC1 ZINC000886581022 739271585 /nfs/dbraw/zinc/27/15/85/739271585.db2.gz HAQTUACHVRUQIF-AWEZNQCLSA-N 0 3 352.400 3.365 20 30 FGEDHN CSc1ccc(CN[C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1C#N ZINC000886690054 739284727 /nfs/dbraw/zinc/28/47/27/739284727.db2.gz NPBFJSYFAWZBMZ-GFCCVEGCSA-N 0 3 353.447 3.462 20 30 FGEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 ZINC000887124549 739331152 /nfs/dbraw/zinc/33/11/52/739331152.db2.gz IZKVDHQJSCVKLI-UHFFFAOYSA-N 0 3 374.790 3.459 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(Cl)c2OC)CC1 ZINC000892851725 740050722 /nfs/dbraw/zinc/05/07/22/740050722.db2.gz PAZUNNUEDUYUGC-UHFFFAOYSA-N 0 3 351.878 3.188 20 30 FGEDHN COC(=O)COc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1 ZINC000895776483 742453222 /nfs/dbraw/zinc/45/32/22/742453222.db2.gz FXAIUEASEZOFBR-UHFFFAOYSA-N 0 3 356.447 3.122 20 30 FGEDHN C=CCC[C@@H](NCc1ccccc1S(C)(=O)=O)[C@]1(C)CCCCO1 ZINC000903019304 743798119 /nfs/dbraw/zinc/79/81/19/743798119.db2.gz MUPHTNWNXLDGQN-MOPGFXCFSA-N 0 3 351.512 3.474 20 30 FGEDHN CCCNC(=S)NN=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000916357220 758074320 /nfs/dbraw/zinc/07/43/20/758074320.db2.gz FVOHDYNPXDSYHS-UHFFFAOYSA-N 0 3 362.543 3.279 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ncccn1 ZINC000916409624 758079482 /nfs/dbraw/zinc/07/94/82/758079482.db2.gz KEMYPJSKSAROKH-HNNXBMFYSA-N 0 3 358.515 3.136 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000916875146 758148174 /nfs/dbraw/zinc/14/81/74/758148174.db2.gz SYFLISWRAHENLS-UKRRQHHQSA-N 0 3 350.846 3.431 20 30 FGEDHN COc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000916905444 758152185 /nfs/dbraw/zinc/15/21/85/758152185.db2.gz KQOXXWKIBYLVFC-CQSZACIVSA-N 0 3 358.781 3.075 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)COC1CCCC1 ZINC000916903168 758152775 /nfs/dbraw/zinc/15/27/75/758152775.db2.gz PCZTVOZLVCSSTR-CYBMUJFWSA-N 0 3 364.829 3.264 20 30 FGEDHN C#CCN(C(=O)NCC1(Sc2ccccc2)CC1)C1CCN(C)CC1 ZINC000917822152 758272014 /nfs/dbraw/zinc/27/20/14/758272014.db2.gz LFUBTBTZPPSSNU-UHFFFAOYSA-N 0 3 357.523 3.050 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSCCC(C)C)cc1OC ZINC000920110736 758513149 /nfs/dbraw/zinc/51/31/49/758513149.db2.gz UTQVRWPATDZRMO-CQSZACIVSA-N 0 3 364.467 3.130 20 30 FGEDHN CC(C)C(=O)N1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921526324 758734797 /nfs/dbraw/zinc/73/47/97/758734797.db2.gz RTJNSSVAZIKZRK-UHFFFAOYSA-N 0 3 364.287 3.057 20 30 FGEDHN C[C@H](NCc1csc(C#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000921689424 758770854 /nfs/dbraw/zinc/77/08/54/758770854.db2.gz IQJRMXNRTHSFNN-AWEZNQCLSA-N 0 3 358.486 3.361 20 30 FGEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cc(C#N)ccc2Br)C1 ZINC000921814450 758801837 /nfs/dbraw/zinc/80/18/37/758801837.db2.gz AWMBCKXPEDNIFG-PZPWOCDFSA-N 0 3 369.328 3.490 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCN(C)[C@H]2C)s1 ZINC000928433081 760186185 /nfs/dbraw/zinc/18/61/85/760186185.db2.gz SJIQFAABWCWSPB-NWDGAFQWSA-N 0 3 359.948 3.047 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](OC)c2ccccc2C(F)(F)F)CC1 ZINC000932140863 761066026 /nfs/dbraw/zinc/06/60/26/761066026.db2.gz LCMGMTHSFIBMMA-MRXNPFEDSA-N 0 3 356.388 3.160 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(c3nc4c(s3)CCC4)CC2)cc1 ZINC000932618908 761202680 /nfs/dbraw/zinc/20/26/80/761202680.db2.gz DPPLUQJWQMBNHM-GOSISDBHSA-N 0 3 353.491 3.416 20 30 FGEDHN C=CCC[C@H](O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941217 761280745 /nfs/dbraw/zinc/28/07/45/761280745.db2.gz JTIXDLVCSIYJQB-IVZWLZJFSA-N 0 3 367.280 3.416 20 30 FGEDHN C[C@H]1CSCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934302384 761591779 /nfs/dbraw/zinc/59/17/79/761591779.db2.gz YQLSQVHNZAWYOK-DZGCQCFKSA-N 0 3 352.463 3.051 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCCN1CCC(F)(F)F ZINC000968861157 762842664 /nfs/dbraw/zinc/84/26/64/762842664.db2.gz HPITWPLJGXRAET-OAGGEKHMSA-N 0 3 362.436 3.281 20 30 FGEDHN CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1NCc1ccc(C#N)s1 ZINC000996396948 765008205 /nfs/dbraw/zinc/00/82/05/765008205.db2.gz YANZTNHSBSLZGN-KSZLIROESA-N 0 3 357.523 3.383 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC000997348161 765058199 /nfs/dbraw/zinc/05/81/99/765058199.db2.gz KNOGBJPLMBDFJV-KBMXLJTQSA-N 0 3 362.436 3.137 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016867760 765825204 /nfs/dbraw/zinc/82/52/04/765825204.db2.gz NCINOIIWXTZLKQ-TYNQKIBBSA-N 0 3 352.906 3.081 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2cccc(Cl)c2F)C1 ZINC001020604743 765882122 /nfs/dbraw/zinc/88/21/22/765882122.db2.gz MLDUDLWQXTZNHF-WVXQGFRLSA-N 0 3 366.864 3.368 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021404943 765936764 /nfs/dbraw/zinc/93/67/64/765936764.db2.gz QUOUKPVZIZXTSZ-OZIQPODJSA-N 0 3 352.906 3.222 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001023640904 766045602 /nfs/dbraw/zinc/04/56/02/766045602.db2.gz ORLOEZKSXVRZIE-NEWSRXKRSA-N 0 3 362.539 3.448 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(C)cc2Cl)C1 ZINC001028810001 766133493 /nfs/dbraw/zinc/13/34/93/766133493.db2.gz SULILDRXIDECCS-WDYCEAGBSA-N 0 3 362.901 3.178 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001049778477 766811522 /nfs/dbraw/zinc/81/15/22/766811522.db2.gz OLBRGPCOYZUQHA-VJANTYMQSA-N 0 3 360.523 3.295 20 30 FGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)CC1 ZINC001050633790 766850721 /nfs/dbraw/zinc/85/07/21/766850721.db2.gz VJGLCUZSISEWIO-HUUCEWRRSA-N 0 3 362.926 3.453 20 30 FGEDHN CN(C)C[C@@H](NC(=O)Cc1ccccc1CC#N)c1ccc(Cl)cc1 ZINC000802381752 724380635 /nfs/dbraw/zinc/38/06/35/724380635.db2.gz POHLHVYEMKZVBN-LJQANCHMSA-N 0 3 355.869 3.368 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)C1CCCC1 ZINC000047966802 208384627 /nfs/dbraw/zinc/38/46/27/208384627.db2.gz UNUJTNBLWNPEOC-UHFFFAOYSA-N 0 3 360.502 3.216 20 30 FGEDHN CC1(C#N)CCC(Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000570786840 505580862 /nfs/dbraw/zinc/58/08/62/505580862.db2.gz DKWHCKYEHXUPNC-UHFFFAOYSA-N 0 3 354.498 3.268 20 30 FGEDHN COc1ccccc1-c1ccc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)cc1 ZINC000579702591 505604936 /nfs/dbraw/zinc/60/49/36/505604936.db2.gz YELLOHHSAFRGLV-YLJYHZDGSA-N 0 3 367.493 3.219 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000568122238 505622529 /nfs/dbraw/zinc/62/25/29/505622529.db2.gz ZTNWUJPDFTZRSN-LAUBAEHRSA-N 0 3 369.509 3.294 20 30 FGEDHN N#CCCCCN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000057644204 493782163 /nfs/dbraw/zinc/78/21/63/493782163.db2.gz ASKJSJGAANHBJU-UHFFFAOYSA-N 0 3 359.499 3.042 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](c3ncc[nH]3)C1)CCC2 ZINC000080960221 493799777 /nfs/dbraw/zinc/79/97/77/493799777.db2.gz UOTUYVDWKAKSOW-ZDUSSCGKSA-N 0 3 369.494 3.040 20 30 FGEDHN Cc1cc(N2CCC(N(C)Cc3ccc(C#N)cc3F)CC2)nc(C)n1 ZINC000080968060 493804413 /nfs/dbraw/zinc/80/44/13/493804413.db2.gz ZWYMODGPQSWWKM-UHFFFAOYSA-N 0 3 353.445 3.205 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(C)CC1 ZINC000081024422 493815518 /nfs/dbraw/zinc/81/55/18/493815518.db2.gz FCSUJCRNFJZPPJ-UHFFFAOYSA-N 0 3 369.278 3.445 20 30 FGEDHN N#Cc1ccc(OCc2ccc(C(=O)NC3CCN(C4CC4)CC3)o2)cc1 ZINC000076196409 493841195 /nfs/dbraw/zinc/84/11/95/493841195.db2.gz VPSSLABLKHNNHC-UHFFFAOYSA-N 0 3 365.433 3.087 20 30 FGEDHN Cc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(=O)[nH]1 ZINC000068723679 493863836 /nfs/dbraw/zinc/86/38/36/493863836.db2.gz WRWJVHAJDSXAPP-HNNXBMFYSA-N 0 3 360.398 3.169 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)C3(C#N)CCCC3)CC2)cc1 ZINC000068801314 493876260 /nfs/dbraw/zinc/87/62/60/493876260.db2.gz GRYNWXWETZWJLS-UHFFFAOYSA-N 0 3 355.482 3.107 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCN(CC3CCCCC3)CC2)cc1 ZINC000049981975 493889852 /nfs/dbraw/zinc/88/98/52/493889852.db2.gz IRVXVMOPLYUBEQ-UHFFFAOYSA-N 0 3 354.498 3.085 20 30 FGEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000058959289 493897284 /nfs/dbraw/zinc/89/72/84/493897284.db2.gz RGIWVLUGKLLYOX-UXHICEINSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2cc(OC)ccc21)C(C)C ZINC000060546580 493943601 /nfs/dbraw/zinc/94/36/01/493943601.db2.gz IKTFYHWAGOSAFP-FQEVSTJZSA-N 0 3 357.498 3.466 20 30 FGEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000069359674 493963215 /nfs/dbraw/zinc/96/32/15/493963215.db2.gz DPGRJOBRXMNDOK-QGZVFWFLSA-N 0 3 357.498 3.138 20 30 FGEDHN CCN(Cc1ccc(OC)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000051406190 493967591 /nfs/dbraw/zinc/96/75/91/493967591.db2.gz HHODLSKJYFKXII-LJQANCHMSA-N 0 3 354.450 3.023 20 30 FGEDHN COC(=O)[C@H](NC1CCN(Cc2ccsc2)CC1)c1cccc(C#N)c1 ZINC000083031703 493991740 /nfs/dbraw/zinc/99/17/40/493991740.db2.gz PRZUBTGGDNUERY-LJQANCHMSA-N 0 3 369.490 3.088 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000083030955 493991767 /nfs/dbraw/zinc/99/17/67/493991767.db2.gz GWANJRYWELJKTN-KRWDZBQOSA-N 0 3 369.490 3.301 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCCCO1 ZINC000052485667 494029896 /nfs/dbraw/zinc/02/98/96/494029896.db2.gz GTYYMHFYWJMCHA-MRXNPFEDSA-N 0 3 350.532 3.154 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000063262538 494037339 /nfs/dbraw/zinc/03/73/39/494037339.db2.gz NFPWCLKLKKDFPW-KRWDZBQOSA-N 0 3 360.498 3.005 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C(C)C)C2CCOCC2)cc1 ZINC000077356658 494066381 /nfs/dbraw/zinc/06/63/81/494066381.db2.gz TXRDNORGYJHFQA-UHFFFAOYSA-N 0 3 373.497 3.221 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000063722536 494079878 /nfs/dbraw/zinc/07/98/78/494079878.db2.gz IFZXPZPBMRFXIM-UHFFFAOYSA-N 0 3 373.497 3.059 20 30 FGEDHN C=CCc1cc(C(=O)N2CCCN(C(C)(C)C)CC2)cc(OC)c1OC ZINC000063724510 494080256 /nfs/dbraw/zinc/08/02/56/494080256.db2.gz CIBUIWBCVHZGPN-UHFFFAOYSA-N 0 3 360.498 3.379 20 30 FGEDHN COc1ccc(CNC[C@@](C)(O)c2ccsc2)cc1OCCCC#N ZINC000077461188 494088775 /nfs/dbraw/zinc/08/87/75/494088775.db2.gz ZPYXSAODGRXPSL-LJQANCHMSA-N 0 3 360.479 3.437 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064550881 494134005 /nfs/dbraw/zinc/13/40/05/494134005.db2.gz AGAKNZCIMFANHN-CYBMUJFWSA-N 0 3 357.439 3.247 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ccccn1 ZINC000087133283 494175774 /nfs/dbraw/zinc/17/57/74/494175774.db2.gz LQLNXYXMLGCVMM-UHFFFAOYSA-N 0 3 368.506 3.026 20 30 FGEDHN N#CCOc1cccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000065411945 494194151 /nfs/dbraw/zinc/19/41/51/494194151.db2.gz MJBYCKJVOGLCGX-UHFFFAOYSA-N 0 3 356.470 3.319 20 30 FGEDHN CC(C)(CNC(=O)NCc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000042321569 494215869 /nfs/dbraw/zinc/21/58/69/494215869.db2.gz KGLPANCXSFQJTD-UHFFFAOYSA-N 0 3 362.477 3.194 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000042564137 494225978 /nfs/dbraw/zinc/22/59/78/494225978.db2.gz QNJSJSJJTBQBAX-ROUUACIJSA-N 0 3 357.498 3.150 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn(C)c2ccccc12 ZINC000065851328 494247058 /nfs/dbraw/zinc/24/70/58/494247058.db2.gz JJBJZKHFQTUOCC-UHFFFAOYSA-N 0 3 374.488 3.183 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1ccccc1 ZINC000042997731 494256389 /nfs/dbraw/zinc/25/63/89/494256389.db2.gz QHCGWFLJLLBFKC-UHFFFAOYSA-N 0 3 364.493 3.264 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ccccc2n1 ZINC000065931215 494256981 /nfs/dbraw/zinc/25/69/81/494256981.db2.gz GCJVIFKTSMZBTM-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1F ZINC000065987100 494265495 /nfs/dbraw/zinc/26/54/95/494265495.db2.gz RJNZEUZLLJLFSS-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN CCOc1ccc([C@@H]2C[C@H]2NC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000568502281 505710640 /nfs/dbraw/zinc/71/06/40/505710640.db2.gz MAYWJIKWXVTQIK-BVYCBKJFSA-N 0 3 366.461 3.037 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000078637989 494334852 /nfs/dbraw/zinc/33/48/52/494334852.db2.gz OCWUDKCDADYTLR-GOSISDBHSA-N 0 3 367.449 3.334 20 30 FGEDHN N#Cc1cc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nc2ccccc12 ZINC000089644958 494337714 /nfs/dbraw/zinc/33/77/14/494337714.db2.gz YTDRUJASBUZXKL-MOPGFXCFSA-N 0 3 358.445 3.154 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000073665228 494409546 /nfs/dbraw/zinc/40/95/46/494409546.db2.gz QLGHKHXGTOKTCJ-HOJAQTOUSA-N 0 3 354.498 3.342 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](CO)C2CCCC2)ccc1Cl ZINC000574202362 505719063 /nfs/dbraw/zinc/71/90/63/505719063.db2.gz GCVRUWVYBHPUSX-GOSISDBHSA-N 0 3 363.889 3.036 20 30 FGEDHN Cc1cc(SCC(=O)NC[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000577395144 505719905 /nfs/dbraw/zinc/71/99/05/505719905.db2.gz JQJAMJSWVGAAEB-LJQANCHMSA-N 0 3 353.491 3.378 20 30 FGEDHN C=CCCOCCN[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000090883759 494501212 /nfs/dbraw/zinc/50/12/12/494501212.db2.gz LOFHBRKMTNXGDI-QGZVFWFLSA-N 0 3 366.527 3.105 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)CNc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000079945038 494553885 /nfs/dbraw/zinc/55/38/85/494553885.db2.gz ZFOHFZQPWRFBEJ-LAUBAEHRSA-N 0 3 362.477 3.139 20 30 FGEDHN C=CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000574243457 505728559 /nfs/dbraw/zinc/72/85/59/505728559.db2.gz QWGWUWWMWGZLCO-IBGZPJMESA-N 0 3 374.492 3.237 20 30 FGEDHN CC1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000056818929 494569615 /nfs/dbraw/zinc/56/96/15/494569615.db2.gz ZOICWGRJMPSKCE-UHFFFAOYSA-N 0 3 356.514 3.458 20 30 FGEDHN C[C@H](OCc1ccccc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011846 494617574 /nfs/dbraw/zinc/61/75/74/494617574.db2.gz ZTHYTOMACWZSEJ-SFHVURJKSA-N 0 3 365.477 3.054 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)nc1 ZINC000080230862 494643726 /nfs/dbraw/zinc/64/37/26/494643726.db2.gz BBXJHCQVTLRORS-XLIONFOSSA-N 0 3 364.493 3.462 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)NCCCC)C2)cc1OC ZINC000092710351 494724202 /nfs/dbraw/zinc/72/42/02/494724202.db2.gz MGOJMDOWSUXQKF-GOSISDBHSA-N 0 3 360.498 3.388 20 30 FGEDHN CN(CCC#N)C(=O)CCNC(C)(C)c1ccc(Br)cc1 ZINC000092802927 494752879 /nfs/dbraw/zinc/75/28/79/494752879.db2.gz YUYFNUNPQWGVRM-UHFFFAOYSA-N 0 3 352.276 3.036 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3nc4c(s3)CCC4)CC2)nc1 ZINC000093112116 494825774 /nfs/dbraw/zinc/82/57/74/494825774.db2.gz ZIIJZVYZOOJXEJ-UHFFFAOYSA-N 0 3 354.479 3.378 20 30 FGEDHN CCC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000121804561 494863618 /nfs/dbraw/zinc/86/36/18/494863618.db2.gz UEVGQYJSMFCJAQ-IBGZPJMESA-N 0 3 368.443 3.490 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)c(OC)c1 ZINC000126964033 494870041 /nfs/dbraw/zinc/87/00/41/494870041.db2.gz HBCIEEWOPBDYPA-UXHICEINSA-N 0 3 352.434 3.446 20 30 FGEDHN COCCOC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093339359 494873918 /nfs/dbraw/zinc/87/39/18/494873918.db2.gz ASYLYWPNRHZZAO-UHFFFAOYSA-N 0 3 368.481 3.091 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000109537165 494886681 /nfs/dbraw/zinc/88/66/81/494886681.db2.gz FJYICTCSRVDQDR-OAQYLSRUSA-N 0 3 362.477 3.232 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000093505222 494895848 /nfs/dbraw/zinc/89/58/48/494895848.db2.gz DDBKAIPJROJPIN-QUCCMNQESA-N 0 3 350.466 3.465 20 30 FGEDHN C=CCC(CC=C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000132982052 494952511 /nfs/dbraw/zinc/95/25/11/494952511.db2.gz QSTQRHGVYSWWIA-UHFFFAOYSA-N 0 3 355.482 3.219 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)CCCCOc2cccc(C#N)c2)c1 ZINC000110619599 494995167 /nfs/dbraw/zinc/99/51/67/494995167.db2.gz RXCLQPLRSOHIBQ-UHFFFAOYSA-N 0 3 365.477 3.485 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110694714 495001803 /nfs/dbraw/zinc/00/18/03/495001803.db2.gz UVLGVQBKSXWACN-UHFFFAOYSA-N 0 3 365.477 3.242 20 30 FGEDHN COc1cccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1OC ZINC000122822681 495035949 /nfs/dbraw/zinc/03/59/49/495035949.db2.gz CPJJUVLBQXJLCT-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN N#Cc1cccc(OC2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)c1 ZINC000111226361 495049810 /nfs/dbraw/zinc/04/98/10/495049810.db2.gz ZQJFUILSMHDXDP-UHFFFAOYSA-N 0 3 359.429 3.443 20 30 FGEDHN CN(C)c1cccc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000118867701 495050454 /nfs/dbraw/zinc/05/04/54/495050454.db2.gz RFKVVSCBUUMXHR-UNMCSNQZSA-N 0 3 365.477 3.201 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000111444243 495075616 /nfs/dbraw/zinc/07/56/16/495075616.db2.gz GAQFTKBKINUPDO-UHFFFAOYSA-N 0 3 353.466 3.312 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101916765 495108054 /nfs/dbraw/zinc/10/80/54/495108054.db2.gz JCIGESQYNFCYEX-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN Cc1c(Cl)cccc1NC(=O)CCNCc1cnc2ccc(C#N)cn12 ZINC000123540637 495149073 /nfs/dbraw/zinc/14/90/73/495149073.db2.gz XSKXDMGWTMAKQN-UHFFFAOYSA-N 0 3 367.840 3.286 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccco2)C1)C(C)C ZINC000128828698 495156037 /nfs/dbraw/zinc/15/60/37/495156037.db2.gz SRDQLOSEHOKTHG-PKOBYXMFSA-N 0 3 361.486 3.061 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2c(cc1F)NC(=O)CC2)C(C)C ZINC000134916380 495223025 /nfs/dbraw/zinc/22/30/25/495223025.db2.gz JOBKZYNLALMAGI-IBGZPJMESA-N 0 3 373.472 3.139 20 30 FGEDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000103451314 495233905 /nfs/dbraw/zinc/23/39/05/495233905.db2.gz LIRYHGVOYRHAPB-UHFFFAOYSA-N 0 3 367.449 3.144 20 30 FGEDHN CO/N=C/c1ccc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000113208153 495283792 /nfs/dbraw/zinc/28/37/92/495283792.db2.gz JBKJKNRCVOQEEI-XQNSMLJCSA-N 0 3 365.477 3.404 20 30 FGEDHN Cc1ccc(OC[C@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104713445 495300406 /nfs/dbraw/zinc/30/04/06/495300406.db2.gz YDCDZTHCPZHOJU-LJQANCHMSA-N 0 3 366.461 3.150 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2ccncc2)on1)C(C)C ZINC000120087606 495304068 /nfs/dbraw/zinc/30/40/68/495304068.db2.gz NZUGLFDVBFXFJI-GOSISDBHSA-N 0 3 354.454 3.165 20 30 FGEDHN C=C[C@H](CC(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1)c1ccccc1 ZINC000124619251 495317423 /nfs/dbraw/zinc/31/74/23/495317423.db2.gz RQZQSBSJGNDPJO-XLIONFOSSA-N 0 3 368.477 3.286 20 30 FGEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COCc3cccs3)CC2)c1 ZINC000104963142 495319617 /nfs/dbraw/zinc/31/96/17/495319617.db2.gz PFZCUWFGKPNJSJ-QGZVFWFLSA-N 0 3 372.490 3.041 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3ccccc3)nn2)CC1 ZINC000120289701 495344136 /nfs/dbraw/zinc/34/41/36/495344136.db2.gz CKXDDMOPIXDEBN-UHFFFAOYSA-N 0 3 351.454 3.306 20 30 FGEDHN C#CCCCCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000120305026 495347941 /nfs/dbraw/zinc/34/79/41/495347941.db2.gz DIBGLEKTUOIXAS-LJQANCHMSA-N 0 3 350.466 3.462 20 30 FGEDHN Cc1ccc(C)c(C(=O)C(C(=S)[N-]C[C@@H]2CCOC2)[n+]2ccccc2)c1 ZINC000136530493 495384850 /nfs/dbraw/zinc/38/48/50/495384850.db2.gz LJNLEOGROUQYRH-KRWDZBQOSA-O 0 3 369.510 3.156 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC000106035580 495405848 /nfs/dbraw/zinc/40/58/48/495405848.db2.gz YPRYYDNONKQHKM-SFHVURJKSA-N 0 3 372.509 3.132 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)ccc2F)CC1 ZINC000106040789 495407033 /nfs/dbraw/zinc/40/70/33/495407033.db2.gz MZNTWTCSONABRK-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000106038668 495407155 /nfs/dbraw/zinc/40/71/55/495407155.db2.gz VMVPBHVSCLHYES-UHFFFAOYSA-N 0 3 352.482 3.259 20 30 FGEDHN COc1ccc(C(C)(C)CN[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000114750877 495421310 /nfs/dbraw/zinc/42/13/10/495421310.db2.gz ZSXRZWONHUILGU-HXUWFJFHSA-N 0 3 363.461 3.240 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC[C@@H](C)O)cc1OCC ZINC000114771820 495423868 /nfs/dbraw/zinc/42/38/68/495423868.db2.gz KGQHGOSZFLBHJH-GFCCVEGCSA-N 0 3 358.276 3.273 20 30 FGEDHN C=C(C)CN1CCC(NCc2cc3c(cc2Br)OCO3)CC1 ZINC000106245607 495440144 /nfs/dbraw/zinc/44/01/44/495440144.db2.gz SSJIZXCWMZZJSZ-UHFFFAOYSA-N 0 3 367.287 3.308 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000106324498 495444814 /nfs/dbraw/zinc/44/48/14/495444814.db2.gz OYWATDBUHLCQEM-UHFFFAOYSA-N 0 3 370.497 3.148 20 30 FGEDHN CCN1CCN(c2ccc(CNCc3ccc(C#N)cc3)cc2F)CC1 ZINC000106487337 495459007 /nfs/dbraw/zinc/45/90/07/495459007.db2.gz XZCFAFHNDZMTCA-UHFFFAOYSA-N 0 3 352.457 3.129 20 30 FGEDHN CCN1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115376537 495497376 /nfs/dbraw/zinc/49/73/76/495497376.db2.gz ANUNTYBMARGMLF-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN CN1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106902395 495509066 /nfs/dbraw/zinc/50/90/66/495509066.db2.gz PJCHSHLCZGRFPC-UHFFFAOYSA-N 0 3 353.397 3.314 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)COc2ccccc2C#N)N2CCCC2)cc1 ZINC000143258474 495532066 /nfs/dbraw/zinc/53/20/66/495532066.db2.gz SKENFLDTACFFMQ-FQEVSTJZSA-N 0 3 363.461 3.199 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)C1CC1 ZINC000185350505 495542463 /nfs/dbraw/zinc/54/24/63/495542463.db2.gz KWLQYZMFNONHDB-LJQANCHMSA-N 0 3 369.415 3.477 20 30 FGEDHN C[C@H](C#N)CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000182418729 495556730 /nfs/dbraw/zinc/55/67/30/495556730.db2.gz DLEBXNXXTDWJDJ-MRXNPFEDSA-N 0 3 350.466 3.374 20 30 FGEDHN COc1ccc([C@@H](O)CNCc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000147143644 495573060 /nfs/dbraw/zinc/57/30/60/495573060.db2.gz OLKCBOARIDVRDY-IBGZPJMESA-N 0 3 370.449 3.210 20 30 FGEDHN COc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OCCCC#N ZINC000147225554 495573521 /nfs/dbraw/zinc/57/35/21/495573521.db2.gz DIKLZRPGEWXLSK-KRWDZBQOSA-N 0 3 367.449 3.233 20 30 FGEDHN COC(=O)c1ccc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c(C#N)n1 ZINC000571701641 505794169 /nfs/dbraw/zinc/79/41/69/505794169.db2.gz QBHUTLVIDGYIIR-ACJLOTCBSA-N 0 3 370.478 3.296 20 30 FGEDHN CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCCCCC1 ZINC000182617075 495637744 /nfs/dbraw/zinc/63/77/44/495637744.db2.gz CZVQTVRJGSHOBY-SFHVURJKSA-N 0 3 374.554 3.112 20 30 FGEDHN C=C(C)COc1cc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)ccc1OC ZINC000574532797 505794890 /nfs/dbraw/zinc/79/48/90/505794890.db2.gz RXAGAOSQSQGYOH-HXUWFJFHSA-N 0 3 372.509 3.387 20 30 FGEDHN CCOc1ccccc1[C@H](CC)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000179748979 495716845 /nfs/dbraw/zinc/71/68/45/495716845.db2.gz JJPYVOYQXPSWFC-XLIONFOSSA-N 0 3 354.450 3.438 20 30 FGEDHN CCOc1ccccc1[C@H](CC)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000179748952 495717300 /nfs/dbraw/zinc/71/73/00/495717300.db2.gz JJPYVOYQXPSWFC-PXNSSMCTSA-N 0 3 354.450 3.438 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000179753604 495719498 /nfs/dbraw/zinc/71/94/98/495719498.db2.gz IZXOEYBZECRXGK-AWEZNQCLSA-N 0 3 365.315 3.394 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000179807279 495741782 /nfs/dbraw/zinc/74/17/82/495741782.db2.gz RYCSFOMFBUPDMO-CYBMUJFWSA-N 0 3 351.288 3.319 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)C1CCOCC1 ZINC000179858291 495761168 /nfs/dbraw/zinc/76/11/68/495761168.db2.gz OOKXYEJIJHXBII-CABCVRRESA-N 0 3 361.511 3.282 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1 ZINC000173974854 495771901 /nfs/dbraw/zinc/77/19/01/495771901.db2.gz NPWXLVNVWUJYFA-UHFFFAOYSA-N 0 3 367.424 3.083 20 30 FGEDHN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(OCCN(C)C)c1 ZINC000151357053 495814037 /nfs/dbraw/zinc/81/40/37/495814037.db2.gz YPAUIHNKJJHGKV-MRXNPFEDSA-N 0 3 367.449 3.213 20 30 FGEDHN C=C(C)COCCN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186114088 495860605 /nfs/dbraw/zinc/86/06/05/495860605.db2.gz VKGMDLMHUVVLGD-OALUTQOASA-N 0 3 351.512 3.262 20 30 FGEDHN Cc1cc(C[C@H](C)NCc2cnc3ccc(C#N)cn23)n(-c2ccccc2)n1 ZINC000180296695 495940554 /nfs/dbraw/zinc/94/05/54/495940554.db2.gz MQSGZKIVNHRLAD-INIZCTEOSA-N 0 3 370.460 3.421 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000171604422 495945439 /nfs/dbraw/zinc/94/54/39/495945439.db2.gz QUYVLBLUNFDIRE-VQTJNVASSA-N 0 3 357.498 3.246 20 30 FGEDHN CCOC(=O)c1ccc(N2CC(N[C@@H](CC)c3ccc(C#N)cc3)C2)nc1 ZINC000568954280 505816295 /nfs/dbraw/zinc/81/62/95/505816295.db2.gz FXZTVNVBSURUDC-IBGZPJMESA-N 0 3 364.449 3.059 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000171708801 495999570 /nfs/dbraw/zinc/99/95/70/495999570.db2.gz IPPFWDXRXJQQPY-UHFFFAOYSA-N 0 3 359.367 3.294 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000171719639 496006269 /nfs/dbraw/zinc/00/62/69/496006269.db2.gz LUTUPCGADXQCJD-UHFFFAOYSA-N 0 3 373.497 3.343 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000171725270 496008760 /nfs/dbraw/zinc/00/87/60/496008760.db2.gz SMCABMJBOIBVAB-ICSRJNTNSA-N 0 3 357.498 3.104 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)CC1 ZINC000171737168 496013687 /nfs/dbraw/zinc/01/36/87/496013687.db2.gz KZRHPESYSQTUEE-GOSISDBHSA-N 0 3 373.497 3.325 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OCC(F)(F)F)CC1 ZINC000171740181 496015706 /nfs/dbraw/zinc/01/57/06/496015706.db2.gz XLCMKSPBUBEGFU-UHFFFAOYSA-N 0 3 357.376 3.400 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000580703655 505818933 /nfs/dbraw/zinc/81/89/33/505818933.db2.gz HHTHVMUASJSGOG-QUCCMNQESA-N 0 3 352.482 3.252 20 30 FGEDHN COC(=O)[C@H](C)[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000152046571 496031948 /nfs/dbraw/zinc/03/19/48/496031948.db2.gz VAECKOWDHJEWSB-DYVFJYSZSA-N 0 3 371.462 3.088 20 30 FGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177391424 496042475 /nfs/dbraw/zinc/04/24/75/496042475.db2.gz WBQDFLNQRPRUTB-CABCVRRESA-N 0 3 357.479 3.220 20 30 FGEDHN Cc1ccc(CSCCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000574632622 505819811 /nfs/dbraw/zinc/81/98/11/505819811.db2.gz YOXQPAORVZNURR-UHFFFAOYSA-N 0 3 374.531 3.163 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000180618518 496070893 /nfs/dbraw/zinc/07/08/93/496070893.db2.gz DSGCKDYHBJWLED-UHFFFAOYSA-N 0 3 355.404 3.286 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](CCO)C(C)(C)C)ccc1Cl ZINC000183697469 496085952 /nfs/dbraw/zinc/08/59/52/496085952.db2.gz FUSRIFMZKJGZQS-QGZVFWFLSA-N 0 3 365.905 3.282 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)CC1 ZINC000180675258 496099634 /nfs/dbraw/zinc/09/96/34/496099634.db2.gz ZDFXXMFOEIGHAV-UHFFFAOYSA-N 0 3 356.445 3.090 20 30 FGEDHN Cn1cc(CN2CCCN(c3ccccn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000183819062 496126211 /nfs/dbraw/zinc/12/62/11/496126211.db2.gz PRKRGBWKZJGELU-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCN(C)C1CC1 ZINC000186744214 496132411 /nfs/dbraw/zinc/13/24/11/496132411.db2.gz DALNNWINBAYJAN-OAHLLOKOSA-N 0 3 360.527 3.045 20 30 FGEDHN CC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[C@@H]1c1ccccc1 ZINC000174884883 496149090 /nfs/dbraw/zinc/14/90/90/496149090.db2.gz FIHZAIBPYSFHMP-QUCCMNQESA-N 0 3 352.482 3.158 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000152503312 496171259 /nfs/dbraw/zinc/17/12/59/496171259.db2.gz DEFRZHIYMSRLCL-UHFFFAOYSA-N 0 3 373.241 3.498 20 30 FGEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000177731063 496176394 /nfs/dbraw/zinc/17/63/94/496176394.db2.gz JJKLVMKMRJRSEM-WZQKQDCOSA-N 0 3 369.490 3.317 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC1 ZINC000172135022 496179180 /nfs/dbraw/zinc/17/91/80/496179180.db2.gz ZPMAZIVLDHAHQT-UHFFFAOYSA-N 0 3 357.498 3.198 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2csc(-c3ccccc3)n2)CC1 ZINC000172150871 496185503 /nfs/dbraw/zinc/18/55/03/496185503.db2.gz ILRBKYKXSAENKW-UHFFFAOYSA-N 0 3 356.495 3.260 20 30 FGEDHN Cc1noc(C)c1C(=O)C(C(=S)[N-]C1CCCCC1)[n+]1ccccc1 ZINC000186961518 496231053 /nfs/dbraw/zinc/23/10/53/496231053.db2.gz GCKGKMMWHAMEBO-UHFFFAOYSA-O 0 3 358.487 3.440 20 30 FGEDHN CN(C)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000152759472 496247861 /nfs/dbraw/zinc/24/78/61/496247861.db2.gz BTSCZBVZVJPBAK-LJQANCHMSA-N 0 3 351.450 3.135 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)CC1 ZINC000181034363 496247924 /nfs/dbraw/zinc/24/79/24/496247924.db2.gz QFKNGNCEWYRTEL-MOPGFXCFSA-N 0 3 351.535 3.310 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(C#N)cc2)c1 ZINC000172307990 496248684 /nfs/dbraw/zinc/24/86/84/496248684.db2.gz GVIALEYCHWOVKI-UHFFFAOYSA-N 0 3 350.466 3.140 20 30 FGEDHN CCOC(=O)CC[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000161849099 496248887 /nfs/dbraw/zinc/24/88/87/496248887.db2.gz WTAZFZMXYZUQHN-CQSZACIVSA-N 0 3 363.483 3.004 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2O)CC1 ZINC000172408631 496285269 /nfs/dbraw/zinc/28/52/69/496285269.db2.gz NFUCPYJLDWEITN-UHFFFAOYSA-N 0 3 366.461 3.351 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CNc1cccc(C#N)c1 ZINC000162107249 496296987 /nfs/dbraw/zinc/29/69/87/496296987.db2.gz AQWUCANAXKGRGS-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](CO)CC=C)cc1OC ZINC000184281014 496318307 /nfs/dbraw/zinc/31/83/07/496318307.db2.gz CRAJBDYBDPZNCY-CYBMUJFWSA-N 0 3 356.260 3.049 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000153012646 496324645 /nfs/dbraw/zinc/32/46/45/496324645.db2.gz ZSHAKHNLBTXHLU-PKOBYXMFSA-N 0 3 368.481 3.250 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000184345650 496343675 /nfs/dbraw/zinc/34/36/75/496343675.db2.gz YWZORAQFNQWPTK-UTKZUKDTSA-N 0 3 362.477 3.220 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H](c2ccccc2)C2CCC2)c1 ZINC000156898317 496359617 /nfs/dbraw/zinc/35/96/17/496359617.db2.gz HGZNMFUAXKAOKQ-FQEVSTJZSA-N 0 3 354.475 3.463 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)[C@@H]2CCOC2)c1C#N ZINC000162805253 496415860 /nfs/dbraw/zinc/41/58/60/496415860.db2.gz GGUUXIAQOUMJOD-GOEBONIOSA-N 0 3 358.486 3.045 20 30 FGEDHN C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(OCC#N)cc1 ZINC000181510172 496426409 /nfs/dbraw/zinc/42/64/09/496426409.db2.gz IGZALKAPXYIIBZ-SJORKVTESA-N 0 3 366.465 3.060 20 30 FGEDHN COc1cc(CN2CC[C@H](NCc3cc(C#N)cs3)C2)cc(OC)c1 ZINC000153350744 496428751 /nfs/dbraw/zinc/42/87/51/496428751.db2.gz YYVWFQRGFIDWEH-INIZCTEOSA-N 0 3 357.479 3.001 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](C)[C@H]2CCOC2)c1C#N ZINC000162924554 496434161 /nfs/dbraw/zinc/43/41/61/496434161.db2.gz YRZOBZGDWZGBEQ-WBVHZDCISA-N 0 3 372.513 3.435 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(OCCC)CCCCC2)CC1 ZINC000175740070 496523835 /nfs/dbraw/zinc/52/38/35/496523835.db2.gz MXSLXLPBLDTUQN-UHFFFAOYSA-N 0 3 351.535 3.456 20 30 FGEDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(SCC#N)c2)C1 ZINC000175782063 496542826 /nfs/dbraw/zinc/54/28/26/496542826.db2.gz ZJJMPVTVFHEYJE-KRWDZBQOSA-N 0 3 351.475 3.435 20 30 FGEDHN CC1CCN([C@H](CNC(=O)c2cc(C#N)cn2C)c2ccccc2)CC1 ZINC000175847124 496571265 /nfs/dbraw/zinc/57/12/65/496571265.db2.gz MLUCEHYIQGYWMA-HXUWFJFHSA-N 0 3 350.466 3.100 20 30 FGEDHN COc1cc(CNC[C@H](O)COc2ccccc2C(C)C)ccc1C#N ZINC000578065168 505853391 /nfs/dbraw/zinc/85/33/91/505853391.db2.gz MPKCXJXGWLFKQI-SFHVURJKSA-N 0 3 354.450 3.220 20 30 FGEDHN N#CCc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000175901438 496594517 /nfs/dbraw/zinc/59/45/17/496594517.db2.gz WESHRKYGUNMKFL-UHFFFAOYSA-N 0 3 363.461 3.209 20 30 FGEDHN C[C@](C#N)(NC(=O)CN[C@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000184980009 496609078 /nfs/dbraw/zinc/60/90/78/496609078.db2.gz XTDOHVRAMSNUIT-YLJYHZDGSA-N 0 3 353.491 3.430 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184984846 496611688 /nfs/dbraw/zinc/61/16/88/496611688.db2.gz LYKCPXWJUGSQCZ-CABCVRRESA-N 0 3 352.400 3.364 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H]3CCN(c4ccc(Cl)c(F)c4)C3)n2c1 ZINC000181994506 496628122 /nfs/dbraw/zinc/62/81/22/496628122.db2.gz DVGJBJLYEZSVJS-AWEZNQCLSA-N 0 3 369.831 3.367 20 30 FGEDHN NC(=O)C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000182006005 496632355 /nfs/dbraw/zinc/63/23/55/496632355.db2.gz UIKNHSCGJNMYKF-KRWDZBQOSA-N 0 3 352.400 3.471 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173345085 496651043 /nfs/dbraw/zinc/65/10/43/496651043.db2.gz CONFICRLGPTFIW-INIZCTEOSA-N 0 3 366.469 3.144 20 30 FGEDHN N#Cc1ccc(CN[C@H](CO)Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000578101935 505861644 /nfs/dbraw/zinc/86/16/44/505861644.db2.gz IAVWUKJZDSKVEL-INIZCTEOSA-N 0 3 352.331 3.409 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000268610205 496745707 /nfs/dbraw/zinc/74/57/07/496745707.db2.gz KMZQYIZLHGLXEB-HXUWFJFHSA-N 0 3 367.424 3.081 20 30 FGEDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000191507634 496790006 /nfs/dbraw/zinc/79/00/06/496790006.db2.gz XCACCXFMLQYTAW-OAHLLOKOSA-N 0 3 371.485 3.266 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)CC1 ZINC000264354160 496880022 /nfs/dbraw/zinc/88/00/22/496880022.db2.gz QTLDTSDAEOLYTA-HNNXBMFYSA-N 0 3 350.249 3.019 20 30 FGEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1CCN(C2CC2)CC1 ZINC000195328888 496890644 /nfs/dbraw/zinc/89/06/44/496890644.db2.gz QZIDHEXYYQPGMP-UHFFFAOYSA-N 0 3 350.384 3.048 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000264432117 496899202 /nfs/dbraw/zinc/89/92/02/496899202.db2.gz LBYGKFYYRXMXDS-OAHLLOKOSA-N 0 3 353.491 3.333 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000264432114 496899251 /nfs/dbraw/zinc/89/92/51/496899251.db2.gz LBYGKFYYRXMXDS-HNNXBMFYSA-N 0 3 353.491 3.333 20 30 FGEDHN N#Cc1ccc(Br)c(CN[C@H](CC(N)=O)C2CCCCC2)c1 ZINC000191825208 496901458 /nfs/dbraw/zinc/90/14/58/496901458.db2.gz QJJMGPOLJLXNIP-MRXNPFEDSA-N 0 3 364.287 3.235 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188860885 496929857 /nfs/dbraw/zinc/92/98/57/496929857.db2.gz UDMPTZPUBIESDO-QGZVFWFLSA-N 0 3 374.488 3.327 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000248093835 496953758 /nfs/dbraw/zinc/95/37/58/496953758.db2.gz CRHUAOAYRMCZPE-MRXNPFEDSA-N 0 3 367.449 3.042 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CC2(CO)CC2)cc1OC ZINC000188951653 496958479 /nfs/dbraw/zinc/95/84/79/496958479.db2.gz KZPZESLGIVYFSG-UHFFFAOYSA-N 0 3 370.287 3.227 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1OC ZINC000248138205 496961846 /nfs/dbraw/zinc/96/18/46/496961846.db2.gz XZJNEMYZJLVMNV-GHTZIAJQSA-N 0 3 366.461 3.435 20 30 FGEDHN COc1cccc([C@H](O)CNCc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000264717119 496970792 /nfs/dbraw/zinc/97/07/92/496970792.db2.gz DITGANHPYSLLST-LJQANCHMSA-N 0 3 370.449 3.210 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192070635 496985351 /nfs/dbraw/zinc/98/53/51/496985351.db2.gz ZQGUTJXOYUFDNR-UHFFFAOYSA-N 0 3 373.241 3.498 20 30 FGEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000569223279 505882802 /nfs/dbraw/zinc/88/28/02/505882802.db2.gz WEQBSSXMRJLZIM-YVEFUNNKSA-N 0 3 355.829 3.120 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000192133727 497006619 /nfs/dbraw/zinc/00/66/19/497006619.db2.gz NCKMBQPWEQXGNW-AZUAARDMSA-N 0 3 371.387 3.285 20 30 FGEDHN C=C(C)COc1cc(CN[C@H](CO)C[C@@H](O)c2ccccc2)ccc1OC ZINC000269898786 497020752 /nfs/dbraw/zinc/02/07/52/497020752.db2.gz FASNRVONWIQAHR-VQTJNVASSA-N 0 3 371.477 3.224 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000227419821 497089668 /nfs/dbraw/zinc/08/96/68/497089668.db2.gz OFBSTQGKMGGYJH-HLIPFELVSA-N 0 3 357.498 3.198 20 30 FGEDHN CN1CC[C@@H](NC(=O)Nc2cccc(OCC#N)c2)[C@@H]1c1ccccc1 ZINC000270491780 497138930 /nfs/dbraw/zinc/13/89/30/497138930.db2.gz JLGAUPCGZYLXRK-MOPGFXCFSA-N 0 3 350.422 3.156 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(CC)CC ZINC000249053578 497155566 /nfs/dbraw/zinc/15/55/66/497155566.db2.gz ONXSWTPBNGASKM-SLFFLAALSA-N 0 3 369.509 3.233 20 30 FGEDHN CC(C)N1CCN(C2CCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000270900168 497223024 /nfs/dbraw/zinc/22/30/24/497223024.db2.gz MJYNZFNZDAVFCR-UHFFFAOYSA-N 0 3 359.945 3.182 20 30 FGEDHN Cc1cc(NC(=O)C2(C)CCN(Cc3ccccc3)CC2)nn1CCC#N ZINC000275114385 497238594 /nfs/dbraw/zinc/23/85/94/497238594.db2.gz LYHAVZHFVUOEAJ-UHFFFAOYSA-N 0 3 365.481 3.346 20 30 FGEDHN N#CCOc1cccc(NC(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000271432742 497347518 /nfs/dbraw/zinc/34/75/18/497347518.db2.gz AZQLPWJKZFSSNB-UHFFFAOYSA-N 0 3 365.437 3.022 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)c1 ZINC000275678302 497401587 /nfs/dbraw/zinc/40/15/87/497401587.db2.gz YMIIDLNSLNMBTK-UHFFFAOYSA-N 0 3 368.368 3.213 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3CN3CCCCC3)on2)c1 ZINC000279335787 497410672 /nfs/dbraw/zinc/41/06/72/497410672.db2.gz YPFUGBQFELBFRF-SFHVURJKSA-N 0 3 364.449 3.304 20 30 FGEDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000271666905 497412863 /nfs/dbraw/zinc/41/28/63/497412863.db2.gz MKAXWAXMBQHSBK-ZDUSSCGKSA-N 0 3 368.393 3.154 20 30 FGEDHN C=CCc1ccc(OCC(=O)Nc2ccc3c(c2F)CCNC3)c(OC)c1 ZINC000261707582 497437149 /nfs/dbraw/zinc/43/71/49/497437149.db2.gz KFKVIOMGQANUOC-UHFFFAOYSA-N 0 3 370.424 3.226 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000275832019 497442684 /nfs/dbraw/zinc/44/26/84/497442684.db2.gz SOCGLSBHOLXTDA-QFBILLFUSA-N 0 3 350.528 3.305 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1O ZINC000245570515 497460769 /nfs/dbraw/zinc/46/07/69/497460769.db2.gz XCSGLZFFIOJHPR-FUHIMQAGSA-N 0 3 374.525 3.203 20 30 FGEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000271827604 497462146 /nfs/dbraw/zinc/46/21/46/497462146.db2.gz WPCDWRXCLOMOTC-KRWDZBQOSA-N 0 3 366.465 3.073 20 30 FGEDHN C[C@@H](Cc1cccs1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193799983 497486632 /nfs/dbraw/zinc/48/66/32/497486632.db2.gz XKBOKBGJHKDEDG-INIZCTEOSA-N 0 3 370.522 3.324 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC([C@H]2CCCO2)CC1)C(C)C ZINC000190535410 497519785 /nfs/dbraw/zinc/51/97/85/497519785.db2.gz LYDQYCUKMWHBRA-WOJBJXKFSA-N 0 3 363.546 3.286 20 30 FGEDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1O2 ZINC000193956892 497532189 /nfs/dbraw/zinc/53/21/89/497532189.db2.gz ZFUXPMBRKIPETO-LJQANCHMSA-N 0 3 361.445 3.276 20 30 FGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190615322 497546748 /nfs/dbraw/zinc/54/67/48/497546748.db2.gz BVDJSUHDSUELDM-VGSWGCGISA-N 0 3 373.456 3.022 20 30 FGEDHN COc1ccc(OC)c([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000245997522 497593662 /nfs/dbraw/zinc/59/36/62/497593662.db2.gz JHXGWPCQKRRACD-VQTJNVASSA-N 0 3 352.434 3.446 20 30 FGEDHN Cc1cc(-n2cncn2)ccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190900864 497639013 /nfs/dbraw/zinc/63/90/13/497639013.db2.gz OAAQYWZSIGOBSZ-INIZCTEOSA-N 0 3 354.373 3.009 20 30 FGEDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cc(C#N)n(C)c1 ZINC000190925224 497647735 /nfs/dbraw/zinc/64/77/35/497647735.db2.gz RFJKVMYKDKKKSY-INIZCTEOSA-N 0 3 365.481 3.004 20 30 FGEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000280185504 497674176 /nfs/dbraw/zinc/67/41/76/497674176.db2.gz DDJHXFRBVBARCP-MJGOQNOKSA-N 0 3 367.836 3.398 20 30 FGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000272596230 497675005 /nfs/dbraw/zinc/67/50/05/497675005.db2.gz XXUGWZCEGRKOTJ-RDJZCZTQSA-N 0 3 359.470 3.324 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000246291621 497686190 /nfs/dbraw/zinc/68/61/90/497686190.db2.gz IMIWGFLHFJQRBE-UXHICEINSA-N 0 3 369.509 3.342 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](n2ccnc2CC)C1 ZINC000246296978 497687256 /nfs/dbraw/zinc/68/72/56/497687256.db2.gz IWGHLJNONLWOSJ-WOJBJXKFSA-N 0 3 369.509 3.251 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000246296966 497687463 /nfs/dbraw/zinc/68/74/63/497687463.db2.gz IWGHLJNONLWOSJ-VQTJNVASSA-N 0 3 369.509 3.251 20 30 FGEDHN C[C@@H]1SCCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000246410569 497723775 /nfs/dbraw/zinc/72/37/75/497723775.db2.gz QJUWLNHJVNXKAP-LDQXTDLNSA-N 0 3 368.502 3.477 20 30 FGEDHN C[C@@H]1CC(O)C[C@@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000191266189 497761572 /nfs/dbraw/zinc/76/15/72/497761572.db2.gz LYWFSGMKXORSOC-CHWSQXEVSA-N 0 3 361.511 3.061 20 30 FGEDHN C=C(C)CN1CCC(NCc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000272985063 497778780 /nfs/dbraw/zinc/77/87/80/497778780.db2.gz VQCNMVLYUJISFC-UHFFFAOYSA-N 0 3 350.816 3.222 20 30 FGEDHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@]34CCOC4)c2)CC1 ZINC000329667026 497861773 /nfs/dbraw/zinc/86/17/73/497861773.db2.gz QLJIFSQCZRSBMJ-PXNSSMCTSA-N 0 3 357.454 3.448 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CCN1C ZINC000329727380 497881780 /nfs/dbraw/zinc/88/17/80/497881780.db2.gz OTFJVEMJYKERJX-XLIONFOSSA-N 0 3 371.525 3.297 20 30 FGEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329732939 497882731 /nfs/dbraw/zinc/88/27/31/497882731.db2.gz QOAIYYRLOWWADK-YZLZLFLDSA-N 0 3 350.466 3.449 20 30 FGEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329732939 497882738 /nfs/dbraw/zinc/88/27/38/497882738.db2.gz QOAIYYRLOWWADK-YZLZLFLDSA-N 0 3 350.466 3.449 20 30 FGEDHN CN1CCN(C[C@H]2CCCN(c3cc(C#N)ccc3C(F)(F)F)C2)CC1 ZINC000364294143 497883332 /nfs/dbraw/zinc/88/33/32/497883332.db2.gz SEULHANFDCDKCT-MRXNPFEDSA-N 0 3 366.431 3.041 20 30 FGEDHN COC[C@@H]1CCN([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000329779241 497898426 /nfs/dbraw/zinc/89/84/26/497898426.db2.gz LTUKZFXXDQWGQR-GQYGNMKRSA-N 0 3 363.502 3.183 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@H](CCO)C2)c2ccccc2)CC1 ZINC000329807446 497908201 /nfs/dbraw/zinc/90/82/01/497908201.db2.gz LPWFBGQEUDCEMQ-UYAOXDASSA-N 0 3 359.514 3.078 20 30 FGEDHN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 ZINC000572355587 505948533 /nfs/dbraw/zinc/94/85/33/505948533.db2.gz ITASZRXVZVEWLW-UHFFFAOYSA-N 0 3 366.513 3.393 20 30 FGEDHN Cc1ccc(-n2cc(NC(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)cn2)c(C)c1 ZINC000329847918 497924777 /nfs/dbraw/zinc/92/47/77/497924777.db2.gz RGQCMBAZFOIUHF-LPHOPBHVSA-N 0 3 353.470 3.061 20 30 FGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1OCC#N ZINC000292251010 497940501 /nfs/dbraw/zinc/94/05/01/497940501.db2.gz KAAUFLWBQOIBKX-QUCCMNQESA-N 0 3 361.445 3.346 20 30 FGEDHN CO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1(C)C ZINC000296198265 497952547 /nfs/dbraw/zinc/95/25/47/497952547.db2.gz VXTVWWCVAAJONP-INIZCTEOSA-N 0 3 361.511 3.184 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000285057378 497983312 /nfs/dbraw/zinc/98/33/12/497983312.db2.gz IBIZSBZEDKIVJB-ZJUUUORDSA-N 0 3 350.267 3.160 20 30 FGEDHN C=C(C)CN1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 ZINC000301173215 497984653 /nfs/dbraw/zinc/98/46/53/497984653.db2.gz KVKDALWVLWXSQF-UHFFFAOYSA-N 0 3 372.900 3.397 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000296443948 498046466 /nfs/dbraw/zinc/04/64/66/498046466.db2.gz UPCDCLSAEWLKDU-ULQDDVLXSA-N 0 3 360.527 3.342 20 30 FGEDHN C#CCNC(=O)c1ccc(NC2CCN([C@@H](C)c3ccccc3)CC2)nc1 ZINC000301312689 498051103 /nfs/dbraw/zinc/05/11/03/498051103.db2.gz JDHFOVAMYPIPOS-KRWDZBQOSA-N 0 3 362.477 3.082 20 30 FGEDHN C#CCOc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000364723028 498113033 /nfs/dbraw/zinc/11/30/33/498113033.db2.gz MLEGQILGHNXVTB-NRFANRHFSA-N 0 3 366.505 3.313 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1C[C@H](N2CCCC2)C[C@H]1C ZINC000285547794 498125365 /nfs/dbraw/zinc/12/53/65/498125365.db2.gz MAFXCASAGAOHOV-IAGOWNOFSA-N 0 3 359.539 3.462 20 30 FGEDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C2)C1 ZINC000296632670 498129943 /nfs/dbraw/zinc/12/99/43/498129943.db2.gz CODDBCMYRSQOKQ-MRXNPFEDSA-N 0 3 368.359 3.016 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(N3CCC(CN4CCOCC4)CC3)c2c1 ZINC000301520163 498145242 /nfs/dbraw/zinc/14/52/42/498145242.db2.gz LBDROMAVBSHJGA-UHFFFAOYSA-N 0 3 364.493 3.272 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3ccc(Cl)c(C#N)n3)CC2)C[C@H](C)O1 ZINC000301521876 498147306 /nfs/dbraw/zinc/14/73/06/498147306.db2.gz DMYYYOJWKUCXFF-GJZGRUSLSA-N 0 3 362.905 3.322 20 30 FGEDHN Cn1cc(CN2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1C#N ZINC000364829817 498162967 /nfs/dbraw/zinc/16/29/67/498162967.db2.gz GOFLOBMXNDPQCJ-SZMVWBNQSA-N 0 3 358.486 3.022 20 30 FGEDHN CC(C)[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000572546473 505994393 /nfs/dbraw/zinc/99/43/93/505994393.db2.gz NFUQPJGAGRALKX-FQEVSTJZSA-N 0 3 356.491 3.361 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000292938352 498202052 /nfs/dbraw/zinc/20/20/52/498202052.db2.gz HOZIICKSUAZOKK-KRWDZBQOSA-N 0 3 360.473 3.096 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C)C2(CCCCC2)C1 ZINC000569705633 505997889 /nfs/dbraw/zinc/99/78/89/505997889.db2.gz BEZOHNAAUIKNDM-IBGZPJMESA-N 0 3 368.525 3.272 20 30 FGEDHN COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000330999134 498233120 /nfs/dbraw/zinc/23/31/20/498233120.db2.gz ZEGJTPMLBKYDOY-HNNXBMFYSA-N 0 3 361.486 3.416 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000572574727 506000953 /nfs/dbraw/zinc/00/09/53/506000953.db2.gz KOBZUUCXXGKYAB-IAGOWNOFSA-N 0 3 365.399 3.469 20 30 FGEDHN C=CCc1cc(CN2CCC(c3nncn3CC)CC2)cc(OC)c1O ZINC000360075049 498243795 /nfs/dbraw/zinc/24/37/95/498243795.db2.gz KSDAESCEQHMEIC-UHFFFAOYSA-N 0 3 356.470 3.120 20 30 FGEDHN CC(C)[C@]1(CO)CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000293034173 498244528 /nfs/dbraw/zinc/24/45/28/498244528.db2.gz LNURIXCBABERAX-OAQYLSRUSA-N 0 3 352.482 3.189 20 30 FGEDHN N#Cc1cccc(OCCN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000360278194 498262712 /nfs/dbraw/zinc/26/27/12/498262712.db2.gz FKKMEVCVTQPCOA-OAQYLSRUSA-N 0 3 361.445 3.385 20 30 FGEDHN Cc1ccc(Br)cc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000331222425 498278785 /nfs/dbraw/zinc/27/87/85/498278785.db2.gz VQTLAFSKXZIUDJ-OAHLLOKOSA-N 0 3 369.303 3.155 20 30 FGEDHN N#Cc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)c2ccccc2n1 ZINC000301837984 498287775 /nfs/dbraw/zinc/28/77/75/498287775.db2.gz YQIGYFLOHVIQII-GOSISDBHSA-N 0 3 350.466 3.188 20 30 FGEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000289898623 498342757 /nfs/dbraw/zinc/34/27/57/498342757.db2.gz QWHYQBQQAUDYPE-KOLCDFICSA-N 0 3 350.768 3.212 20 30 FGEDHN N#Cc1ccc(CNCCn2cc(Br)cn2)c(C(F)(F)F)c1 ZINC000575911009 506031163 /nfs/dbraw/zinc/03/11/63/506031163.db2.gz REAHFNBJPZJXCV-UHFFFAOYSA-N 0 3 373.176 3.326 20 30 FGEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599395830 506441407 /nfs/dbraw/zinc/44/14/07/506441407.db2.gz LOEVQILRGYDCGU-QZTJIDSGSA-N 0 3 366.889 3.031 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000282236938 498435404 /nfs/dbraw/zinc/43/54/04/498435404.db2.gz JUWNCRWYLKYYAW-QGZVFWFLSA-N 0 3 367.497 3.204 20 30 FGEDHN N#C[C@]1(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCc2ccccc2C1 ZINC000575933645 506035750 /nfs/dbraw/zinc/03/57/50/506035750.db2.gz RIRIJZGQESLFNK-GGAORHGYSA-N 0 3 359.473 3.076 20 30 FGEDHN CCCCCCCCOCC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365538157 498520703 /nfs/dbraw/zinc/52/07/03/498520703.db2.gz URAFJQSPPZDYRY-UHFFFAOYSA-N 0 3 354.535 3.077 20 30 FGEDHN C[C@H]1[C@@H](N2CCCC2)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000286893737 498543843 /nfs/dbraw/zinc/54/38/43/498543843.db2.gz LGYHKOMNNLBLON-PXNSSMCTSA-N 0 3 364.493 3.296 20 30 FGEDHN COc1c(C)cnc(CN2CCC(N(C)Cc3ccc(C#N)o3)CC2)c1C ZINC000290480036 498567784 /nfs/dbraw/zinc/56/77/84/498567784.db2.gz NYUZTADOQPRFPS-UHFFFAOYSA-N 0 3 368.481 3.268 20 30 FGEDHN Cc1ccccc1NC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000362907009 498577556 /nfs/dbraw/zinc/57/75/56/498577556.db2.gz RKMVJJVQUCHUFM-HXUWFJFHSA-N 0 3 365.477 3.183 20 30 FGEDHN N#Cc1csc(C(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000365741844 498620385 /nfs/dbraw/zinc/62/03/85/498620385.db2.gz IFORZEXGDCEPBA-QZTJIDSGSA-N 0 3 351.475 3.214 20 30 FGEDHN N#CCc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000365774860 498634258 /nfs/dbraw/zinc/63/42/58/498634258.db2.gz VIDIPAQTRWJAGW-VXKWHMMOSA-N 0 3 359.473 3.347 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000578981241 506067230 /nfs/dbraw/zinc/06/72/30/506067230.db2.gz ITWCCRXHIKCYBP-JCKWVBRZSA-N 0 3 360.816 3.236 20 30 FGEDHN C=CCS(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294322260 498657203 /nfs/dbraw/zinc/65/72/03/498657203.db2.gz OLMWPFFYKPAAEW-LJQANCHMSA-N 0 3 359.491 3.257 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000332353299 498659839 /nfs/dbraw/zinc/65/98/39/498659839.db2.gz ZUJWTAQTPKNZLO-RHSMWYFYSA-N 0 3 360.889 3.099 20 30 FGEDHN N#Cc1ccc(NCc2ccccc2CN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000290732589 498661365 /nfs/dbraw/zinc/66/13/65/498661365.db2.gz GCHGVVOULJRJHS-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000332537468 498717703 /nfs/dbraw/zinc/71/77/03/498717703.db2.gz JCLPUGFLLUNWLQ-CALCHBBNSA-N 0 3 370.497 3.220 20 30 FGEDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000366107624 498778933 /nfs/dbraw/zinc/77/89/33/498778933.db2.gz IDHRQVVBHNFFIV-WBVHZDCISA-N 0 3 354.475 3.311 20 30 FGEDHN C=CCn1c(N2CCCN(Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC000576150908 506089053 /nfs/dbraw/zinc/08/90/53/506089053.db2.gz NPVPQKRXDXTSQD-UHFFFAOYSA-N 0 3 353.514 3.474 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291118017 498802468 /nfs/dbraw/zinc/80/24/68/498802468.db2.gz AQKMWXNQGUIFSZ-DLBZAZTESA-N 0 3 372.513 3.070 20 30 FGEDHN N#Cc1cc(F)c(NCCCNCc2cccnc2)cc1Br ZINC000320368925 498807796 /nfs/dbraw/zinc/80/77/96/498807796.db2.gz QIPJMPVNAQELDF-UHFFFAOYSA-N 0 3 363.234 3.447 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000366341912 498881907 /nfs/dbraw/zinc/88/19/07/498881907.db2.gz MEUVLXAXQCEPPH-PMACEKPBSA-N 0 3 369.428 3.064 20 30 FGEDHN Cc1ccc2c(c1)nc(CNC(=O)N1CCC[C@@H]1CN1CCCCC1)n2C ZINC000328720578 498914363 /nfs/dbraw/zinc/91/43/63/498914363.db2.gz WGGUIMQVHGECFY-QGZVFWFLSA-N 0 3 369.513 3.246 20 30 FGEDHN CN1CCC[C@@]2(CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)C1 ZINC000328721390 498915428 /nfs/dbraw/zinc/91/54/28/498915428.db2.gz WUZPWGDPQZHSAD-JOCHJYFZSA-N 0 3 363.509 3.406 20 30 FGEDHN COC1(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CCOCC1 ZINC000328823609 498951222 /nfs/dbraw/zinc/95/12/22/498951222.db2.gz RESAEXZUEZCIJD-UHFFFAOYSA-N 0 3 361.486 3.001 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C2CCOCC2)C1 ZINC000328831602 498953676 /nfs/dbraw/zinc/95/36/76/498953676.db2.gz LCCSMARBXSWMJT-MJGOQNOKSA-N 0 3 355.482 3.070 20 30 FGEDHN N#Cc1cccnc1N1CCCN(CCCOCc2ccccc2)CC1 ZINC000363781531 498988694 /nfs/dbraw/zinc/98/86/94/498988694.db2.gz SADFSGFREWAOSL-UHFFFAOYSA-N 0 3 350.466 3.072 20 30 FGEDHN O=C(NCCNC(=O)[C@@H]1CCCN1C1CCCC1)NC1CCCCC1 ZINC000328941575 498992998 /nfs/dbraw/zinc/99/29/98/498992998.db2.gz SYSKFBREJBZLQE-KRWDZBQOSA-N 0 3 350.507 3.186 20 30 FGEDHN C[C@@H](NCCCN1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363797163 498996618 /nfs/dbraw/zinc/99/66/18/498996618.db2.gz UFMQJQQJSSMVPO-OAHLLOKOSA-N 0 3 356.495 3.055 20 30 FGEDHN C#CCC(CC#C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000288338291 498998337 /nfs/dbraw/zinc/99/83/37/498998337.db2.gz VRDZOKLCABWZGQ-NRFANRHFSA-N 0 3 374.488 3.240 20 30 FGEDHN CN1CCN(CC2(C)CCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000363797495 498998824 /nfs/dbraw/zinc/99/88/24/498998824.db2.gz PCMFQWIVPFUSTG-UHFFFAOYSA-N 0 3 359.945 3.041 20 30 FGEDHN N#Cc1ccc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000582065827 506125271 /nfs/dbraw/zinc/12/52/71/506125271.db2.gz GHDZLLSVTQVARJ-VAMGGRTRSA-N 0 3 363.417 3.471 20 30 FGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000329104655 499043932 /nfs/dbraw/zinc/04/39/32/499043932.db2.gz GTZVNARFEQFJGM-ATZDWAIDSA-N 0 3 371.481 3.152 20 30 FGEDHN Cc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)nnn1-c1ccc(C)cc1 ZINC000329203521 499071769 /nfs/dbraw/zinc/07/17/69/499071769.db2.gz YMYFXXOYDCBZRM-MRXNPFEDSA-N 0 3 353.470 3.206 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000329250252 499083854 /nfs/dbraw/zinc/08/38/54/499083854.db2.gz UEXJURLELQAOEG-DNVCBOLYSA-N 0 3 373.497 3.256 20 30 FGEDHN C[C@@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)N1CCC(C)CC1 ZINC000329267088 499087303 /nfs/dbraw/zinc/08/73/03/499087303.db2.gz HQQZDJQASZBKFF-ZMSDIMECSA-N 0 3 352.523 3.144 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000366872960 499101819 /nfs/dbraw/zinc/10/18/19/499101819.db2.gz GZABOPGSNJTWSM-MJGOQNOKSA-N 0 3 354.498 3.375 20 30 FGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCCC#N ZINC000291955358 499110051 /nfs/dbraw/zinc/11/00/51/499110051.db2.gz QUVUFIPCFGZIDS-GOSISDBHSA-N 0 3 351.454 3.271 20 30 FGEDHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000329369380 499110457 /nfs/dbraw/zinc/11/04/57/499110457.db2.gz LOZKAFLSHIQAFD-HKUYNNGSSA-N 0 3 371.529 3.219 20 30 FGEDHN NC(=O)c1ccc(NC(=O)CCN2CCOCC3(CC3)C2)cc1Cl ZINC000329425668 499119678 /nfs/dbraw/zinc/11/96/78/499119678.db2.gz FYQJBTKGNFOMBS-UHFFFAOYSA-N 0 3 351.834 3.314 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC000284520228 499119960 /nfs/dbraw/zinc/11/99/60/499119960.db2.gz OMQFJOQZIRERMV-UHFFFAOYSA-N 0 3 363.461 3.156 20 30 FGEDHN C=CCN(C(=O)NCc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364166970 499126739 /nfs/dbraw/zinc/12/67/39/499126739.db2.gz RFCYDJOITVOOCQ-HXUWFJFHSA-N 0 3 350.466 3.054 20 30 FGEDHN C=CCC[C@H](C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000372503630 499135628 /nfs/dbraw/zinc/13/56/28/499135628.db2.gz NYYBOOWPMBCPHS-BAGYTPMASA-N 0 3 369.553 3.221 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cncnc2)cc1 ZINC000369891092 499146307 /nfs/dbraw/zinc/14/63/07/499146307.db2.gz FWTBSYKDAFZJRH-DLBZAZTESA-N 0 3 350.466 3.383 20 30 FGEDHN CCC(CC)CN(CCC#N)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000369937184 499154296 /nfs/dbraw/zinc/15/42/96/499154296.db2.gz SWIYAIWIHRHJJH-UHFFFAOYSA-N 0 3 359.518 3.161 20 30 FGEDHN N#CC1CCC(CNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000370184787 499194688 /nfs/dbraw/zinc/19/46/88/499194688.db2.gz OWEFOBDSVYEBCX-AFMYVXGZSA-N 0 3 354.498 3.138 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000370331095 499210360 /nfs/dbraw/zinc/21/03/60/499210360.db2.gz CLOMLAZERSQQOK-INIZCTEOSA-N 0 3 369.415 3.478 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)c2ccccc2O1 ZINC000370503201 499226872 /nfs/dbraw/zinc/22/68/72/499226872.db2.gz PSACNLYFPUOBOK-INIZCTEOSA-N 0 3 367.474 3.006 20 30 FGEDHN N#CCCCOc1cccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000367956287 499249448 /nfs/dbraw/zinc/24/94/48/499249448.db2.gz MITZLSPRZAVGLW-WOJBJXKFSA-N 0 3 358.482 3.169 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)C2(C#N)CCCCC2)C1 ZINC000368253571 499278391 /nfs/dbraw/zinc/27/83/91/499278391.db2.gz IFXXFCYDVMSDBN-UHFFFAOYSA-N 0 3 355.482 3.228 20 30 FGEDHN COCCN(C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000368373635 499290145 /nfs/dbraw/zinc/29/01/45/499290145.db2.gz FPIYBEWDQDLDOI-PMACEKPBSA-N 0 3 351.450 3.013 20 30 FGEDHN Cn1cc(CN2CCCN(c3ncccc3C#N)CC2)c(-c2ccccc2)n1 ZINC000371427706 499325507 /nfs/dbraw/zinc/32/55/07/499325507.db2.gz YMBIABUDASXRMH-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CCOCC2)[C@H]1C ZINC000368835975 499338089 /nfs/dbraw/zinc/33/80/89/499338089.db2.gz VYGMVLSTNRIPAL-DLBZAZTESA-N 0 3 373.472 3.352 20 30 FGEDHN Cc1noc(C)c1CO[C@@H]1CCN(CCCOc2ccc(C#N)cc2)C1 ZINC000368857212 499340172 /nfs/dbraw/zinc/34/01/72/499340172.db2.gz ZJKPIUKNYVSCIW-LJQANCHMSA-N 0 3 355.438 3.223 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc(-c3ccc(F)cc3)c[nH]2)cc1 ZINC000369292047 499388339 /nfs/dbraw/zinc/38/83/39/499388339.db2.gz CIEMAYMMJSUSGV-QGZVFWFLSA-N 0 3 373.391 3.086 20 30 FGEDHN C#CCOc1ccccc1CN1CCC[C@@H](c2ccnc(COC)n2)C1 ZINC000369428954 499402528 /nfs/dbraw/zinc/40/25/28/499402528.db2.gz UUCBILPKZSUHSG-QGZVFWFLSA-N 0 3 351.450 3.015 20 30 FGEDHN Cc1nc(C2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)no1 ZINC000373129543 499452896 /nfs/dbraw/zinc/45/28/96/499452896.db2.gz ZHKGXEOUOQDAFM-UHFFFAOYSA-N 0 3 362.437 3.030 20 30 FGEDHN C=CCC[C@H](C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccccc1 ZINC000373285964 499461570 /nfs/dbraw/zinc/46/15/70/499461570.db2.gz QFLQRVPLDQBLFJ-IBGZPJMESA-N 0 3 352.482 3.260 20 30 FGEDHN C[C@@H](CN1CCC(n2cnc(C#N)n2)CC1)c1cccc(Br)c1 ZINC000373485395 499472581 /nfs/dbraw/zinc/47/25/81/499472581.db2.gz NPJODZFDZFDCMI-ZDUSSCGKSA-N 0 3 374.286 3.353 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3ccnc(OC(F)F)c3)CC2)cc1 ZINC000375312340 499506229 /nfs/dbraw/zinc/50/62/29/499506229.db2.gz BKGVAHGFQWTLNB-UHFFFAOYSA-N 0 3 372.419 3.309 20 30 FGEDHN CC(C)N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000375689515 499545415 /nfs/dbraw/zinc/54/54/15/499545415.db2.gz HXMVCMXPUUPXRN-NRFANRHFSA-N 0 3 372.472 3.498 20 30 FGEDHN CN(C(=O)c1cc(C#N)ccc1Cl)C1CCN(c2ccncc2)CC1 ZINC000375691151 499545853 /nfs/dbraw/zinc/54/58/53/499545853.db2.gz WDZALWHXTLJTHO-UHFFFAOYSA-N 0 3 354.841 3.348 20 30 FGEDHN N#Cc1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000391041407 499556713 /nfs/dbraw/zinc/55/67/13/499556713.db2.gz CEKVOBFTYRSJFK-IBGZPJMESA-N 0 3 366.421 3.169 20 30 FGEDHN C[C@]1(CNC(=O)COc2ccc(C#N)cc2)CCCN1Cc1ccccc1 ZINC000397987617 499565425 /nfs/dbraw/zinc/56/54/25/499565425.db2.gz KWCNXFIWEXAKLH-JOCHJYFZSA-N 0 3 363.461 3.108 20 30 FGEDHN Cc1nc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c2n1CCCC2 ZINC000376161296 499587528 /nfs/dbraw/zinc/58/75/28/499587528.db2.gz HKOLKRDRPPBGEO-UHFFFAOYSA-N 0 3 363.509 3.154 20 30 FGEDHN C[C@]1(c2ccccc2)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000376245769 499594283 /nfs/dbraw/zinc/59/42/83/499594283.db2.gz UPPOXONUCOGHKD-DENIHFKCSA-N 0 3 359.429 3.015 20 30 FGEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000376301217 499598987 /nfs/dbraw/zinc/59/89/87/499598987.db2.gz GTTFSOYMQZYUQU-HXUWFJFHSA-N 0 3 374.529 3.176 20 30 FGEDHN N#Cc1nc(NCC2CCN(c3ccncc3)CC2)ccc1C(F)(F)F ZINC000409725873 499618099 /nfs/dbraw/zinc/61/80/99/499618099.db2.gz FEFIHGVXGUWEJZ-UHFFFAOYSA-N 0 3 361.371 3.117 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CCCCC[C@H]32)cc1 ZINC000376586968 499620868 /nfs/dbraw/zinc/62/08/68/499620868.db2.gz HGNCYPAWGDVIAT-CKEIUWERSA-N 0 3 361.467 3.169 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000376714498 499631129 /nfs/dbraw/zinc/63/11/29/499631129.db2.gz CHSLKBCRHRDFEZ-SFHVURJKSA-N 0 3 365.383 3.220 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3cn[nH]c3)CC2)cc1Cl ZINC000377533785 499701335 /nfs/dbraw/zinc/70/13/35/499701335.db2.gz MJCBMCWMBBQHDZ-UHFFFAOYSA-N 0 3 357.845 3.143 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000377755353 499728816 /nfs/dbraw/zinc/72/88/16/499728816.db2.gz FVKLIPDEPACWSE-GUYCJALGSA-N 0 3 373.478 3.169 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000411877092 499798957 /nfs/dbraw/zinc/79/89/57/499798957.db2.gz QIKHNZSKQIBUJK-LJQANCHMSA-N 0 3 369.490 3.442 20 30 FGEDHN N#Cc1ccc(CNC2(CO)C3CC4CC(C3)CC2C4)c(OC(F)F)c1 ZINC000412003901 499811956 /nfs/dbraw/zinc/81/19/56/499811956.db2.gz QVXYYRGIAOXTAY-UHFFFAOYSA-N 0 3 362.420 3.436 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412006563 499812135 /nfs/dbraw/zinc/81/21/35/499812135.db2.gz HRQKIINXRLVHMD-HXUWFJFHSA-N 0 3 357.498 3.022 20 30 FGEDHN N#Cc1cccc(OCCN[C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000412011324 499812806 /nfs/dbraw/zinc/81/28/06/499812806.db2.gz NUPDFSFQNAXVQI-OAQYLSRUSA-N 0 3 366.461 3.057 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415008363 499854524 /nfs/dbraw/zinc/85/45/24/499854524.db2.gz SKXOZKUTVDQQGA-LJQANCHMSA-N 0 3 364.449 3.354 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1C#N ZINC000415301344 499884856 /nfs/dbraw/zinc/88/48/56/499884856.db2.gz ADBDTDJJLONYFB-RBUKOAKNSA-N 0 3 364.449 3.304 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415805925 499919741 /nfs/dbraw/zinc/91/97/41/499919741.db2.gz OIQDNDWTUGWADY-RYUDHWBXSA-N 0 3 368.275 3.228 20 30 FGEDHN C[C@@H]1CN(CCCCNc2cc(C(F)(F)F)cnc2C#N)C[C@@H](C)O1 ZINC000413190632 499924557 /nfs/dbraw/zinc/92/45/57/499924557.db2.gz XGZBAYBUYAKAOU-CHWSQXEVSA-N 0 3 356.392 3.273 20 30 FGEDHN CNCc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000415925791 499929049 /nfs/dbraw/zinc/92/90/49/499929049.db2.gz UGSGPZRZRUUEPC-UHFFFAOYSA-N 0 3 364.449 3.353 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415974760 499935861 /nfs/dbraw/zinc/93/58/61/499935861.db2.gz SDPBWHIYHRGOJQ-DOMZBBRYSA-N 0 3 357.376 3.267 20 30 FGEDHN N#C[C@@H](NC(=O)CCN1CCc2ccccc2C1)c1ccccc1Cl ZINC000416158817 499963324 /nfs/dbraw/zinc/96/33/24/499963324.db2.gz LLRVZKZEUQCBQP-LJQANCHMSA-N 0 3 353.853 3.469 20 30 FGEDHN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(C)CC1 ZINC000425085048 500014899 /nfs/dbraw/zinc/01/48/99/500014899.db2.gz KYRNSZXQMDWZHE-CYBMUJFWSA-N 0 3 353.388 3.288 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000413826149 500067843 /nfs/dbraw/zinc/06/78/43/500067843.db2.gz HLIRVUMHWPJGIN-ICSRJNTNSA-N 0 3 371.525 3.069 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000413991107 500118261 /nfs/dbraw/zinc/11/82/61/500118261.db2.gz VHMUUZZFTMVFTJ-HXUWFJFHSA-N 0 3 356.510 3.325 20 30 FGEDHN C=CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000425532968 500134882 /nfs/dbraw/zinc/13/48/82/500134882.db2.gz PCKVJWJLRIADGV-UYAOXDASSA-N 0 3 356.510 3.386 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCC#Cc2cccc(F)c2)cc1 ZINC000418152437 500238361 /nfs/dbraw/zinc/23/83/61/500238361.db2.gz HJBKPFNQFKLENG-FQEVSTJZSA-N 0 3 353.441 3.300 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000426154939 500242175 /nfs/dbraw/zinc/24/21/75/500242175.db2.gz XQHJCJNWIOVKRK-UHFFFAOYSA-N 0 3 372.856 3.474 20 30 FGEDHN C[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000430715668 500274182 /nfs/dbraw/zinc/27/41/82/500274182.db2.gz QJUUBMOXTDEBKY-BULFRSBZSA-N 0 3 361.489 3.498 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3n[nH]c(C)n3)ccc2C)CC1 ZINC000426551422 500288017 /nfs/dbraw/zinc/28/80/17/500288017.db2.gz FTMJJFRTKGPRAJ-UHFFFAOYSA-N 0 3 368.485 3.251 20 30 FGEDHN C=C(C)COc1cc(CN2CCN(C3CCOCC3)C[C@@H]2C)ccc1OC ZINC000426572159 500290436 /nfs/dbraw/zinc/29/04/36/500290436.db2.gz ZFPUNQXNJHHTST-SFHVURJKSA-N 0 3 374.525 3.335 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3cc(C#N)ccc3F)CC2)C[C@@H](C)O1 ZINC000426814909 500324111 /nfs/dbraw/zinc/32/41/11/500324111.db2.gz IUZVVRJFNCCLFN-IAGOWNOFSA-N 0 3 359.489 3.409 20 30 FGEDHN N#Cc1ccc([C@@H](NCC[C@H](c2ccccc2)C(F)(F)F)C(N)=O)cc1 ZINC000419164572 500342060 /nfs/dbraw/zinc/34/20/60/500342060.db2.gz AABPYBGOLLEWMU-IAGOWNOFSA-N 0 3 361.367 3.410 20 30 FGEDHN Cc1ncccc1OC[C@H]1CCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000419400630 500361622 /nfs/dbraw/zinc/36/16/22/500361622.db2.gz MWGSGYBYYDSEBR-LJQANCHMSA-N 0 3 364.449 3.134 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000427942327 500447861 /nfs/dbraw/zinc/44/78/61/500447861.db2.gz UJYUKPHCRWTINB-DENIHFKCSA-N 0 3 369.553 3.363 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427961504 500451576 /nfs/dbraw/zinc/45/15/76/500451576.db2.gz CRIRJSOHDIAQLU-MRXNPFEDSA-N 0 3 365.389 3.088 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000424107569 500454539 /nfs/dbraw/zinc/45/45/39/500454539.db2.gz ZEPPXQHWUAWQJO-OAHLLOKOSA-N 0 3 368.250 3.100 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](N)CCCC#N ZINC000424109633 500455085 /nfs/dbraw/zinc/45/50/85/500455085.db2.gz ASDISFRUEABLDH-HNNXBMFYSA-N 0 3 368.250 3.124 20 30 FGEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000424125823 500457694 /nfs/dbraw/zinc/45/76/94/500457694.db2.gz OHYFAXQWVYZZAJ-NXOAAHMSSA-N 0 3 361.559 3.199 20 30 FGEDHN N#Cc1cnc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c(Cl)c1 ZINC000428034239 500460754 /nfs/dbraw/zinc/46/07/54/500460754.db2.gz SJIVLVRILYTTKW-CYBMUJFWSA-N 0 3 374.897 3.310 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000424155040 500461330 /nfs/dbraw/zinc/46/13/30/500461330.db2.gz PDMBVRZWOQCFRL-CJNGLKHVSA-N 0 3 370.280 3.384 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000424181610 500464782 /nfs/dbraw/zinc/46/47/82/500464782.db2.gz CYRNEPIBRAJOSC-ZBFHGGJFSA-N 0 3 357.351 3.124 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000424182747 500464854 /nfs/dbraw/zinc/46/48/54/500464854.db2.gz AAUJASSRKYHUCV-MRXNPFEDSA-N 0 3 351.853 3.428 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000424186977 500465373 /nfs/dbraw/zinc/46/53/73/500465373.db2.gz IJMQNISDYPEKEW-IRXDYDNUSA-N 0 3 367.453 3.201 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000432083411 500465462 /nfs/dbraw/zinc/46/54/62/500465462.db2.gz ZIOQGYUIRVORQL-UHFFFAOYSA-N 0 3 372.557 3.226 20 30 FGEDHN N#C[C@H](c1ccccc1)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000570586906 506200372 /nfs/dbraw/zinc/20/03/72/506200372.db2.gz FASGBZOMBAGAKZ-XZOQPEGZSA-N 0 3 360.505 3.143 20 30 FGEDHN C=CCC1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCOCC1 ZINC000424586357 500521939 /nfs/dbraw/zinc/52/19/39/500521939.db2.gz RSBYYQJTUZRXGL-UHFFFAOYSA-N 0 3 356.510 3.183 20 30 FGEDHN CC(C)(C#N)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000428552454 500526041 /nfs/dbraw/zinc/52/60/41/500526041.db2.gz VHSKZDZXPRCUAP-HXUWFJFHSA-N 0 3 363.461 3.307 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1cscc1C#N)c1cccc(OC)c1 ZINC000432555214 500531902 /nfs/dbraw/zinc/53/19/02/500531902.db2.gz MFDTVFHNEARZDC-GOSISDBHSA-N 0 3 357.479 3.441 20 30 FGEDHN N#Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc2ccccc12 ZINC000428672664 500541577 /nfs/dbraw/zinc/54/15/77/500541577.db2.gz COJCZYVAGFEOCG-FQEVSTJZSA-N 0 3 372.472 3.231 20 30 FGEDHN C[C@@H]1CN(CCCNc2c(C#N)cnc3c(F)cc(F)cc32)CCCO1 ZINC000432845249 500576282 /nfs/dbraw/zinc/57/62/82/500576282.db2.gz HXIRYIWBUMHJMJ-CYBMUJFWSA-N 0 3 360.408 3.297 20 30 FGEDHN CN(C)S(=O)(=O)c1cccc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433011130 500606126 /nfs/dbraw/zinc/60/61/26/500606126.db2.gz DRTMCNNLGAESGB-FQEVSTJZSA-N 0 3 371.506 3.462 20 30 FGEDHN COc1cccc(CNC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433022515 500607542 /nfs/dbraw/zinc/60/75/42/500607542.db2.gz VVYRGWZSWSPDPR-HXUWFJFHSA-N 0 3 351.450 3.336 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000576669793 506207799 /nfs/dbraw/zinc/20/77/99/506207799.db2.gz GAKAAYGEXWKKRU-QGZVFWFLSA-N 0 3 357.889 3.457 20 30 FGEDHN COC[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCO1 ZINC000433207897 500647904 /nfs/dbraw/zinc/64/79/04/500647904.db2.gz LKJCMCICSVVSPP-FGZHOGPDSA-N 0 3 366.461 3.421 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000433340982 500675874 /nfs/dbraw/zinc/67/58/74/500675874.db2.gz GTPKHFAINSFKAA-GOSISDBHSA-N 0 3 350.418 3.237 20 30 FGEDHN CN(C)C(=O)Nc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433363896 500681314 /nfs/dbraw/zinc/68/13/14/500681314.db2.gz IKJOXHZEOHZKJN-GOSISDBHSA-N 0 3 364.449 3.169 20 30 FGEDHN CCC[C@@]1(COC)CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447880593 500684510 /nfs/dbraw/zinc/68/45/10/500684510.db2.gz VPXSFVGRSVBUNS-CTNGQTDRSA-N 0 3 355.482 3.335 20 30 FGEDHN C=CCN(CC=C)[C@H](CNCc1c(Br)c(C)nn1C)C(C)C ZINC000447945128 500694099 /nfs/dbraw/zinc/69/40/99/500694099.db2.gz VHAGUVBSRNLKJW-OAHLLOKOSA-N 0 3 369.351 3.279 20 30 FGEDHN C[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)N1CCc2ccccc2C1 ZINC000443515463 500733610 /nfs/dbraw/zinc/73/36/10/500733610.db2.gz CQOISCWAZGWBOH-ZDUSSCGKSA-N 0 3 360.383 3.253 20 30 FGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC(C)(C)CN1CCOCC1 ZINC000443656735 500750548 /nfs/dbraw/zinc/75/05/48/500750548.db2.gz MGPUHNLQWVBSDU-UHFFFAOYSA-N 0 3 368.443 3.347 20 30 FGEDHN CCN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000448768680 500828672 /nfs/dbraw/zinc/82/86/72/500828672.db2.gz RGKNYFIFSHFPTA-VQIMIIECSA-N 0 3 350.466 3.194 20 30 FGEDHN CC1(C)CCCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)[C@H]1C#N ZINC000434444433 500843385 /nfs/dbraw/zinc/84/33/85/500843385.db2.gz CRYZXFXLOQYTSB-FQEVSTJZSA-N 0 3 369.509 3.045 20 30 FGEDHN C=CCOc1ccc(CN(C[C@H]2CCS(=O)(=O)C2)C(C)(C)C)cc1 ZINC000434470314 500848644 /nfs/dbraw/zinc/84/86/44/500848644.db2.gz MYVALYJUNBHAHB-QGZVFWFLSA-N 0 3 351.512 3.287 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 ZINC000448912807 500867532 /nfs/dbraw/zinc/86/75/32/500867532.db2.gz RSYIJCPVZILYJC-KNQAVFIVSA-N 0 3 369.509 3.286 20 30 FGEDHN N#CC(C(=O)c1ccnn1CC(F)F)c1nc2ccccc2n1C(F)F ZINC000434620381 500867690 /nfs/dbraw/zinc/86/76/90/500867690.db2.gz JLIUUXJOBWOPEI-VIFPVBQESA-N 0 3 365.290 3.383 20 30 FGEDHN CC(C)(COc1ncccc1C(F)(F)F)NCc1cccc(C#N)n1 ZINC000602574023 506221706 /nfs/dbraw/zinc/22/17/06/506221706.db2.gz DMBDGQOQLFWLQN-UHFFFAOYSA-N 0 3 350.344 3.314 20 30 FGEDHN C=CC[C@H]1N(C(=O)NCCCCN2CCN(CC)CC2)CCCC1(C)C ZINC000444845114 500910167 /nfs/dbraw/zinc/91/01/67/500910167.db2.gz DVEVXZOHZRZRGB-LJQANCHMSA-N 0 3 364.578 3.180 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000435134011 500937426 /nfs/dbraw/zinc/93/74/26/500937426.db2.gz VDPJYPZKTJAWBW-UHFFFAOYSA-N 0 3 361.449 3.249 20 30 FGEDHN C=CCCCCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449246336 500956769 /nfs/dbraw/zinc/95/67/69/500956769.db2.gz AZBSBBZVHGBMJW-ZDUSSCGKSA-N 0 3 369.303 3.408 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000435872363 501039538 /nfs/dbraw/zinc/03/95/38/501039538.db2.gz XUFIWZQAKVQRBL-QGZVFWFLSA-N 0 3 352.482 3.407 20 30 FGEDHN C=CC1CCN(CCNC(=O)NC(C)(C)COCc2ccccc2)CC1 ZINC000440716772 501042451 /nfs/dbraw/zinc/04/24/51/501042451.db2.gz ZFXFHPMDUAANRS-UHFFFAOYSA-N 0 3 359.514 3.179 20 30 FGEDHN N#Cc1ccc(CNC(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000441023314 501076417 /nfs/dbraw/zinc/07/64/17/501076417.db2.gz OAGDSDHAKWOHRD-UHFFFAOYSA-N 0 3 354.498 3.404 20 30 FGEDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000449757375 501077381 /nfs/dbraw/zinc/07/73/81/501077381.db2.gz SODSUOVFUSNRRL-UHFFFAOYSA-N 0 3 353.491 3.484 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(CCCO)Cc1cccc(Cl)c1 ZINC000441116067 501090110 /nfs/dbraw/zinc/09/01/10/501090110.db2.gz PDIGAWQWJHHRCC-UHFFFAOYSA-N 0 3 374.868 3.484 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000441349877 501125436 /nfs/dbraw/zinc/12/54/36/501125436.db2.gz GNAUAYBLWFPILO-QFBILLFUSA-N 0 3 354.498 3.351 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@H]1CCOC1 ZINC000450749125 501200196 /nfs/dbraw/zinc/20/01/96/501200196.db2.gz YKNARBLMFHFTGH-MRXNPFEDSA-N 0 3 350.532 3.011 20 30 FGEDHN CC1(C)C[C@]1(CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000596069367 506240532 /nfs/dbraw/zinc/24/05/32/506240532.db2.gz FGXZLDQJGJNNQB-NRFANRHFSA-N 0 3 368.502 3.289 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1C ZINC000442189798 501206438 /nfs/dbraw/zinc/20/64/38/501206438.db2.gz CNQQFGDZDDXDBM-ZWNOBZJWSA-N 0 3 356.348 3.061 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)NCC#Cc2ccccc2)N(C)C)cc1 ZINC000457606354 501267052 /nfs/dbraw/zinc/26/70/52/501267052.db2.gz ZGWLSVWGAXVUEH-FQEVSTJZSA-N 0 3 367.518 3.362 20 30 FGEDHN O=C(CN[C@H]1CCC12CCCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451461324 501297774 /nfs/dbraw/zinc/29/77/74/501297774.db2.gz TYFXVNVAQPZHPG-KRWDZBQOSA-N 0 3 364.411 3.486 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1)C(C)C ZINC000457752632 501301251 /nfs/dbraw/zinc/30/12/51/501301251.db2.gz PUNGRAGQTQYVDI-SVFBPWRDSA-N 0 3 361.530 3.038 20 30 FGEDHN CO[C@H]1C[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC000451504005 501308071 /nfs/dbraw/zinc/30/80/71/501308071.db2.gz QOKXHOBXHNCWGA-MSOLQXFVSA-N 0 3 372.513 3.433 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1CCCN(C(C)C)CC1 ZINC000453427383 501329612 /nfs/dbraw/zinc/32/96/12/501329612.db2.gz WAZSEDOGKTZNSI-UHFFFAOYSA-N 0 3 369.513 3.272 20 30 FGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000451587289 501330757 /nfs/dbraw/zinc/33/07/57/501330757.db2.gz BMJFIJFXQPNGJH-CABCVRRESA-N 0 3 352.381 3.371 20 30 FGEDHN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000453436467 501331851 /nfs/dbraw/zinc/33/18/51/501331851.db2.gz IHKCDKMVZVJOLE-ACBHZAAOSA-N 0 3 373.545 3.406 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000451679933 501349310 /nfs/dbraw/zinc/34/93/10/501349310.db2.gz IGTKXMXXGNKUNH-OCCSQVGLSA-N 0 3 372.368 3.071 20 30 FGEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2C1 ZINC000451702440 501355159 /nfs/dbraw/zinc/35/51/59/501355159.db2.gz SMEBSVAOQNOVOS-BRWVUGGUSA-N 0 3 353.384 3.420 20 30 FGEDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000451836072 501382857 /nfs/dbraw/zinc/38/28/57/501382857.db2.gz GPSLWLFVTGUFSZ-SJORKVTESA-N 0 3 374.554 3.293 20 30 FGEDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000451841542 501383917 /nfs/dbraw/zinc/38/39/17/501383917.db2.gz LUDNWFLKWDUBNB-PMACEKPBSA-N 0 3 370.541 3.355 20 30 FGEDHN CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000452021164 501420113 /nfs/dbraw/zinc/42/01/13/501420113.db2.gz SMMCHWUQQFHWSF-HXUWFJFHSA-N 0 3 362.477 3.461 20 30 FGEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC[C@@H](C)C1 ZINC000452057358 501426174 /nfs/dbraw/zinc/42/61/74/501426174.db2.gz GFXASZUYEKWOQS-IXDOHACOSA-N 0 3 365.481 3.487 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000452112720 501437067 /nfs/dbraw/zinc/43/70/67/501437067.db2.gz GWABJMZXIMLRIL-DLBZAZTESA-N 0 3 374.554 3.434 20 30 FGEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000456061776 501446603 /nfs/dbraw/zinc/44/66/03/501446603.db2.gz KOGBGYYJFYTTKH-QKLQHJQFSA-N 0 3 353.510 3.316 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000454238785 501489459 /nfs/dbraw/zinc/48/94/59/501489459.db2.gz MXTCBTPUNIYULS-HXUWFJFHSA-N 0 3 366.440 3.334 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000454305535 501508524 /nfs/dbraw/zinc/50/85/24/501508524.db2.gz BEFWXFDWWOTRDY-SFHVURJKSA-N 0 3 362.477 3.222 20 30 FGEDHN C=C(C)CCNC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000454327964 501514949 /nfs/dbraw/zinc/51/49/49/501514949.db2.gz PIOXTNYNIASEOS-UHFFFAOYSA-N 0 3 358.530 3.163 20 30 FGEDHN CC1(C)CN(C(=O)CSCC#N)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000452855979 501575197 /nfs/dbraw/zinc/57/51/97/501575197.db2.gz XXOXVDLNEFHQMK-FQEVSTJZSA-N 0 3 371.550 3.392 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000459125166 501598736 /nfs/dbraw/zinc/59/87/36/501598736.db2.gz QKALNJCHWXTZRN-GOSISDBHSA-N 0 3 374.847 3.453 20 30 FGEDHN N#Cc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1F ZINC000456824885 501605960 /nfs/dbraw/zinc/60/59/60/501605960.db2.gz AYCRFYVBCUEQPJ-UHFFFAOYSA-N 0 3 351.425 3.226 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(C#N)c(F)c2)[C@H](C(F)(F)F)C1 ZINC000456841056 501608754 /nfs/dbraw/zinc/60/87/54/501608754.db2.gz QBWCGJBIQIDAPJ-ZIAGYGMSSA-N 0 3 371.378 3.222 20 30 FGEDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000457059062 501642752 /nfs/dbraw/zinc/64/27/52/501642752.db2.gz WONCYRRSASUWPC-UHFFFAOYSA-N 0 3 367.449 3.334 20 30 FGEDHN CC(C)(CC#N)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000459379770 501642939 /nfs/dbraw/zinc/64/29/39/501642939.db2.gz BCEXXFMHFRYAGJ-UHFFFAOYSA-N 0 3 360.527 3.339 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000454879313 501648359 /nfs/dbraw/zinc/64/83/59/501648359.db2.gz YLNZMWPIQIIEJO-GOSISDBHSA-N 0 3 366.440 3.019 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000454957169 501661838 /nfs/dbraw/zinc/66/18/38/501661838.db2.gz KBDNXTYNIMFPHI-SFHVURJKSA-N 0 3 356.514 3.480 20 30 FGEDHN C=CCC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000457476963 501706520 /nfs/dbraw/zinc/70/65/20/501706520.db2.gz IJGQKQDNIADZFX-SJORKVTESA-N 0 3 365.543 3.147 20 30 FGEDHN CCN(CCC#N)C(=O)CN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000474270094 501768760 /nfs/dbraw/zinc/76/87/60/501768760.db2.gz WZXPCPYPIUJCRP-UHFFFAOYSA-N 0 3 371.481 3.312 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2OC(F)F)cc1 ZINC000470729849 501784309 /nfs/dbraw/zinc/78/43/09/501784309.db2.gz LVSNIUQYFMHVME-MRXNPFEDSA-N 0 3 355.344 3.158 20 30 FGEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000467422324 501790218 /nfs/dbraw/zinc/79/02/18/501790218.db2.gz AGNCGPKCUZOJIE-UHFFFAOYSA-N 0 3 359.433 3.366 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H]3CCN(c4ccc(Cl)cc4F)C3)n2c1 ZINC000599008811 506274540 /nfs/dbraw/zinc/27/45/40/506274540.db2.gz IHLWXAQXOXGBMJ-HNNXBMFYSA-N 0 3 369.831 3.367 20 30 FGEDHN COc1ccc(F)cc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470830216 501821127 /nfs/dbraw/zinc/82/11/27/501821127.db2.gz HFKAUHOPZPJJFK-BBRMVZONSA-N 0 3 351.381 3.266 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H](COC)C1)C(C)C ZINC000467804480 501878687 /nfs/dbraw/zinc/87/86/87/501878687.db2.gz GVITZEOJAMXSDP-RTBURBONSA-N 0 3 351.535 3.143 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(F)c(F)c2F)cc1 ZINC000471083381 501913983 /nfs/dbraw/zinc/91/39/83/501913983.db2.gz RMIRKQIBEGTSEY-OAHLLOKOSA-N 0 3 357.335 3.017 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H](O)COc1ccc(F)cc1 ZINC000481922124 501920162 /nfs/dbraw/zinc/92/01/62/501920162.db2.gz MKWVBQBXPHTJIJ-WIYYLYMNSA-N 0 3 354.425 3.494 20 30 FGEDHN CN(CCNCc1cccc(OCc2cccc(C#N)c2)c1)CC(F)F ZINC000599021602 506281772 /nfs/dbraw/zinc/28/17/72/506281772.db2.gz BVTIBVSREPEBHT-UHFFFAOYSA-N 0 3 359.420 3.424 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000478476806 501995619 /nfs/dbraw/zinc/99/56/19/501995619.db2.gz RGFYWJUHFDTINA-UHFFFAOYSA-N 0 3 369.490 3.331 20 30 FGEDHN C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCC[C@@H](C)C1 ZINC000468251993 502005957 /nfs/dbraw/zinc/00/59/57/502005957.db2.gz LNBYHIRQHDRCNO-CABCVRRESA-N 0 3 352.438 3.063 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000582550837 506289177 /nfs/dbraw/zinc/28/91/77/506289177.db2.gz XSZHJNMPIIOKND-OAQYLSRUSA-N 0 3 364.449 3.353 20 30 FGEDHN N#Cc1ccnc(N2CCN(CC3CCC(C(F)(F)F)CC3)CC2)c1 ZINC000468395402 502045453 /nfs/dbraw/zinc/04/54/53/502045453.db2.gz MGCIGEZRFKBKJJ-UHFFFAOYSA-N 0 3 352.404 3.444 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000475263627 502110625 /nfs/dbraw/zinc/11/06/25/502110625.db2.gz IRZHPENBPBJENE-KRWDZBQOSA-N 0 3 357.498 3.030 20 30 FGEDHN Cc1nc(NCc2ccc(CN3CCN(C)CC3)cc2)c(Cl)cc1C#N ZINC000461781798 502199358 /nfs/dbraw/zinc/19/93/58/502199358.db2.gz ZAZCJXLLLWAWSQ-UHFFFAOYSA-N 0 3 369.900 3.275 20 30 FGEDHN N#CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000461801670 502207269 /nfs/dbraw/zinc/20/72/69/502207269.db2.gz ODKSTHVLRDEQFW-GFCCVEGCSA-N 0 3 366.255 3.134 20 30 FGEDHN N#Cc1cccc(OCCN2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000482904377 502212693 /nfs/dbraw/zinc/21/26/93/502212693.db2.gz MEYCPFZWNMBNPW-IBGZPJMESA-N 0 3 363.461 3.079 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](N(C)Cc3noc(C)n3)CC2)cc1 ZINC000475620414 502231254 /nfs/dbraw/zinc/23/12/54/502231254.db2.gz FSPMMWRHVINKHC-IBGZPJMESA-N 0 3 370.497 3.429 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)cc1 ZINC000475620421 502231450 /nfs/dbraw/zinc/23/14/50/502231450.db2.gz FSPMMWRHVINKHC-LJQANCHMSA-N 0 3 370.497 3.429 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000479352736 502232705 /nfs/dbraw/zinc/23/27/05/502232705.db2.gz YDQLCLAMZMEVSZ-SJORKVTESA-N 0 3 363.502 3.123 20 30 FGEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCCCC2 ZINC000472198717 502266925 /nfs/dbraw/zinc/26/69/25/502266925.db2.gz BXNCLWUOGFMLTN-XUVXKRRUSA-N 0 3 365.477 3.485 20 30 FGEDHN CC1CCN(CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000465530645 502291742 /nfs/dbraw/zinc/29/17/42/502291742.db2.gz UTJWSJBUKPAQPP-WOJBJXKFSA-N 0 3 354.498 3.200 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1c1ccccc1)C(C)C ZINC000465537723 502297149 /nfs/dbraw/zinc/29/71/49/502297149.db2.gz DJFYAEFQRVPQPE-NHCUHLMSSA-N 0 3 371.525 3.468 20 30 FGEDHN COc1cc(OC)c(C(=O)C(C#N)c2cnc3ccccc3n2)cc1OC ZINC000483231942 502320776 /nfs/dbraw/zinc/32/07/76/502320776.db2.gz RXCFGCPZEYVMLJ-CYBMUJFWSA-N 0 3 363.373 3.146 20 30 FGEDHN CC[C@H](C)[C@H](NC(=O)C(C)C#N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000469201814 502334707 /nfs/dbraw/zinc/33/47/07/502334707.db2.gz KPROWYOEHKFUIU-ZWOKBUDYSA-N 0 3 369.509 3.158 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(CC1CC1)C1CCC1 ZINC000483295177 502342213 /nfs/dbraw/zinc/34/22/13/502342213.db2.gz PMCQNJSMGGGMPK-UHFFFAOYSA-N 0 3 372.513 3.216 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000483529611 502423014 /nfs/dbraw/zinc/42/30/14/502423014.db2.gz IPUGLEZTZFRNDY-YCPHGPKFSA-N 0 3 363.483 3.415 20 30 FGEDHN CN(C)[C@]1(CNC(=O)c2cn(CCCC#N)c3ccccc23)CCSC1 ZINC000469541085 502457059 /nfs/dbraw/zinc/45/70/59/502457059.db2.gz YWZYQXNHRURENX-FQEVSTJZSA-N 0 3 370.522 3.112 20 30 FGEDHN CCN(CC)[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CC(C)C ZINC000476423893 502485410 /nfs/dbraw/zinc/48/54/10/502485410.db2.gz NABKFEBTSZYCKQ-KRWDZBQOSA-N 0 3 357.564 3.136 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC=C(c3c(F)cccc3F)CC2)CC1 ZINC000472974755 502489360 /nfs/dbraw/zinc/48/93/60/502489360.db2.gz CJTBCYRKRAMYAR-UHFFFAOYSA-N 0 3 361.436 3.414 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nccc2ccsc21 ZINC000599088989 506317922 /nfs/dbraw/zinc/31/79/22/506317922.db2.gz VRDWEZOOECHYRZ-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000473496151 502611059 /nfs/dbraw/zinc/61/10/59/502611059.db2.gz MMCPADGSYHLHBH-KNQAVFIVSA-N 0 3 356.510 3.482 20 30 FGEDHN CN(C)CC1(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCC1 ZINC000466582045 502615793 /nfs/dbraw/zinc/61/57/93/502615793.db2.gz UABFGYLRUSSEEP-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000480643238 502630689 /nfs/dbraw/zinc/63/06/89/502630689.db2.gz ZJHVNPQEWKXREX-MRXNPFEDSA-N 0 3 357.498 3.342 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488436489 502713693 /nfs/dbraw/zinc/71/36/93/502713693.db2.gz CBDPOHBNXXUBFN-KRWDZBQOSA-N 0 3 367.415 3.490 20 30 FGEDHN COc1cnccc1N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000481055955 502742658 /nfs/dbraw/zinc/74/26/58/502742658.db2.gz UQXRAJYDGINFQL-UHFFFAOYSA-N 0 3 373.254 3.051 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467115786 502790631 /nfs/dbraw/zinc/79/06/31/502790631.db2.gz IXIXBGMBHCVHFH-QAPCUYQASA-N 0 3 364.449 3.351 20 30 FGEDHN COc1cc(CN2CC[C@@H](CO)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000488755983 502803522 /nfs/dbraw/zinc/80/35/22/502803522.db2.gz VAZGLGYVNNTJDU-UZLBHIALSA-N 0 3 366.461 3.349 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@H](c2ccc(C)o2)N2CCCC2)nc1 ZINC000495305382 502821190 /nfs/dbraw/zinc/82/11/90/502821190.db2.gz RPEPXBLANKFKAM-QGZVFWFLSA-N 0 3 354.454 3.148 20 30 FGEDHN C=CCOc1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1Cl ZINC000513021253 502831944 /nfs/dbraw/zinc/83/19/44/502831944.db2.gz ABQSBKDPNXSJTF-UHFFFAOYSA-N 0 3 357.903 3.352 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000505004468 502838596 /nfs/dbraw/zinc/83/85/96/502838596.db2.gz CVVJSBPAOBNJTH-WIYYLYMNSA-N 0 3 370.541 3.295 20 30 FGEDHN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc(C#N)c(C)c2)s1 ZINC000513049972 502839750 /nfs/dbraw/zinc/83/97/50/502839750.db2.gz CLIKKZLKXGVZLA-STQMWFEESA-N 0 3 357.483 3.034 20 30 FGEDHN C=CCOc1ccccc1CN[C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 ZINC000513059691 502842371 /nfs/dbraw/zinc/84/23/71/502842371.db2.gz XCYJHHRGVZLAEG-KGLIPLIRSA-N 0 3 374.510 3.418 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)OCCCO2)C(C)C ZINC000495964770 502868054 /nfs/dbraw/zinc/86/80/54/502868054.db2.gz FWUMLMHWIDUQEY-GOSISDBHSA-N 0 3 358.482 3.276 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Br)cn1C)C(C)C ZINC000495999398 502869095 /nfs/dbraw/zinc/86/90/95/502869095.db2.gz JHECSSLNJBXXJH-INIZCTEOSA-N 0 3 368.319 3.216 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)c1cccc(C#N)c1C)c1ccccc1 ZINC000509518144 502924177 /nfs/dbraw/zinc/92/41/77/502924177.db2.gz WNRDKLGSRVJYOI-OAQYLSRUSA-N 0 3 365.477 3.306 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccco1 ZINC000509602198 502945266 /nfs/dbraw/zinc/94/52/66/502945266.db2.gz NDXPVOPUAVDFIW-QAPCUYQASA-N 0 3 354.454 3.422 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000505652369 502959584 /nfs/dbraw/zinc/95/95/84/502959584.db2.gz SVLOSIXOSMTTLC-QGZVFWFLSA-N 0 3 357.498 3.124 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000505833684 502996114 /nfs/dbraw/zinc/99/61/14/502996114.db2.gz UTGZRWYIPXROLN-DLBZAZTESA-N 0 3 357.498 3.123 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000510130909 503055733 /nfs/dbraw/zinc/05/57/33/503055733.db2.gz ZQQVCOYBRFABER-MRXNPFEDSA-N 0 3 352.519 3.101 20 30 FGEDHN COc1ccc(Cl)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497886187 503061310 /nfs/dbraw/zinc/06/13/10/503061310.db2.gz XFQABHDAEGCFHO-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000514211932 503114420 /nfs/dbraw/zinc/11/44/20/503114420.db2.gz ZYSHZFOWBDTBON-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1COc2ccc(OC)cc2C1)C(C)C ZINC000498355668 503166286 /nfs/dbraw/zinc/16/62/86/503166286.db2.gz QREZKKNAURBCCA-ICSRJNTNSA-N 0 3 372.509 3.061 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H]1CC(C)C)C(C)C ZINC000506912926 503193964 /nfs/dbraw/zinc/19/39/64/503193964.db2.gz CVZRAYBXRXSOLD-RTBURBONSA-N 0 3 351.535 3.142 20 30 FGEDHN CCOC(=O)C(C)(C)C1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000510967309 503227000 /nfs/dbraw/zinc/22/70/00/503227000.db2.gz KTTQTASPIMYDGX-UHFFFAOYSA-N 0 3 374.481 3.247 20 30 FGEDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000502712240 503256324 /nfs/dbraw/zinc/25/63/24/503256324.db2.gz LGRNANAXZIVOCO-OAHLLOKOSA-N 0 3 369.918 3.145 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(C#N)c2ccccc2n1 ZINC000491171556 503282370 /nfs/dbraw/zinc/28/23/70/503282370.db2.gz KUEUFZMFATZFGP-HSZRJFAPSA-N 0 3 372.472 3.180 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000491293415 503294831 /nfs/dbraw/zinc/29/48/31/503294831.db2.gz DSIQWZFPPLQRIO-QFIPXVFZSA-N 0 3 359.473 3.328 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000515267752 503304821 /nfs/dbraw/zinc/30/48/21/503304821.db2.gz NPAMFJXYLQFVAU-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000515335119 503317365 /nfs/dbraw/zinc/31/73/65/503317365.db2.gz VLYNCLRTHOWMDF-DLBZAZTESA-N 0 3 364.371 3.320 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccsc2Br)CC1 ZINC000511439067 503321930 /nfs/dbraw/zinc/32/19/30/503321930.db2.gz OJTHLLQNYYDMHU-UHFFFAOYSA-N 0 3 372.332 3.350 20 30 FGEDHN C=CCN1CC[C@@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1=O ZINC000511621211 503356072 /nfs/dbraw/zinc/35/60/72/503356072.db2.gz BRWGUOHGXJMXRO-CVEARBPZSA-N 0 3 354.372 3.413 20 30 FGEDHN C=CCN1CC[C@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1=O ZINC000511621212 503356383 /nfs/dbraw/zinc/35/63/83/503356383.db2.gz BRWGUOHGXJMXRO-HOTGVXAUSA-N 0 3 354.372 3.413 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000499211822 503356369 /nfs/dbraw/zinc/35/63/69/503356369.db2.gz IPLNVFYEHPYFQB-QFBILLFUSA-N 0 3 359.518 3.034 20 30 FGEDHN CC(C)c1nnc(CCNCc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000492334378 503365262 /nfs/dbraw/zinc/36/52/62/503365262.db2.gz NZIPZYIDJWYQTQ-UHFFFAOYSA-N 0 3 366.494 3.266 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2)N2CCCC2)nc1 ZINC000492910191 503393317 /nfs/dbraw/zinc/39/33/17/503393317.db2.gz GLTCDWPOJKPAMI-LJQANCHMSA-N 0 3 350.466 3.246 20 30 FGEDHN C[C@@H]1C[C@@]1(NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000503404264 503401795 /nfs/dbraw/zinc/40/17/95/503401795.db2.gz FZVAHYXPNFYTJJ-WNYOCNMUSA-N 0 3 356.853 3.476 20 30 FGEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000516148417 503455744 /nfs/dbraw/zinc/45/57/44/503455744.db2.gz ZTVZLLJXBCSAQY-KSZLIROESA-N 0 3 352.438 3.124 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000494256410 503513617 /nfs/dbraw/zinc/51/36/17/503513617.db2.gz IZNPXLBKBWKZJO-UYAOXDASSA-N 0 3 353.853 3.468 20 30 FGEDHN C[C@@H](CN(C)C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000512413991 503543090 /nfs/dbraw/zinc/54/30/90/503543090.db2.gz BXKWDGPQKXDPKW-INIZCTEOSA-N 0 3 368.456 3.359 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000494669574 503589017 /nfs/dbraw/zinc/58/90/17/503589017.db2.gz CEWJSHLNOGCUAL-OAQYLSRUSA-N 0 3 370.541 3.074 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000494684112 503591558 /nfs/dbraw/zinc/59/15/58/503591558.db2.gz HTQGZRLTFZSPOO-NHCUHLMSSA-N 0 3 370.541 3.115 20 30 FGEDHN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508907218 503597201 /nfs/dbraw/zinc/59/72/01/503597201.db2.gz LJGGGFJOTWQQJB-GOSISDBHSA-N 0 3 373.932 3.485 20 30 FGEDHN C=CCn1c(-c2cccn2C)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000508921295 503600769 /nfs/dbraw/zinc/60/07/69/503600769.db2.gz LHSIZWOTUUUSJC-UHFFFAOYSA-N 0 3 368.529 3.172 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508931871 503603023 /nfs/dbraw/zinc/60/30/23/503603023.db2.gz QONIWCGSOFYOIA-HXUWFJFHSA-N 0 3 365.525 3.428 20 30 FGEDHN C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668878 503608300 /nfs/dbraw/zinc/60/83/00/503608300.db2.gz WZIJRBYJNMCFTH-BPXKWBHBSA-N 0 3 367.468 3.231 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2ccc(C#N)cn2)N(CC)CC)cc1 ZINC000582717540 506382005 /nfs/dbraw/zinc/38/20/05/506382005.db2.gz YCCWJGKPIPMWAX-FQEVSTJZSA-N 0 3 350.466 3.329 20 30 FGEDHN C=C(CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000512680557 503610829 /nfs/dbraw/zinc/61/08/29/503610829.db2.gz CIUYJNZTVKWPNW-UHFFFAOYSA-N 0 3 362.477 3.345 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)N3CCC(CCC#N)CC3)CC2)c1 ZINC000517031719 503648199 /nfs/dbraw/zinc/64/81/99/503648199.db2.gz IIJVQVFJKYWMIU-UHFFFAOYSA-N 0 3 368.525 3.050 20 30 FGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(C)c(OC)c(C)c2)n1 ZINC000536932986 503765064 /nfs/dbraw/zinc/76/50/64/503765064.db2.gz FEHZYIDLCGAZHP-ZDUSSCGKSA-N 0 3 358.419 3.435 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](COc1ccccc1F)C(C)(C)C ZINC000540590150 503825736 /nfs/dbraw/zinc/82/57/36/503825736.db2.gz BZOZUDDXCKYHGC-CRAIPNDOSA-N 0 3 363.477 3.217 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000533440398 503845710 /nfs/dbraw/zinc/84/57/10/503845710.db2.gz SDJSKIRMWNHOGB-DOTOQJQBSA-N 0 3 372.538 3.188 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2)CC1 ZINC000546723801 503853015 /nfs/dbraw/zinc/85/30/15/503853015.db2.gz FRSPTIDOAUKTDP-UHFFFAOYSA-N 0 3 374.488 3.370 20 30 FGEDHN C[C@H](NCCNc1ccc(-c2ccccc2)nn1)c1ccc(C#N)c(F)c1 ZINC000540707471 503862751 /nfs/dbraw/zinc/86/27/51/503862751.db2.gz CPCCMBNFMDNWRX-HNNXBMFYSA-N 0 3 361.424 3.339 20 30 FGEDHN C=CCN1C(=O)N(C[C@H]2CCN2C2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000530206668 503875882 /nfs/dbraw/zinc/87/58/82/503875882.db2.gz DJZLPYCVBFKBKL-UXHICEINSA-N 0 3 367.493 3.065 20 30 FGEDHN C=C(C)CN(CC)C(=O)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000517982802 503881383 /nfs/dbraw/zinc/88/13/83/503881383.db2.gz NSVMVZXBEDVPIU-SFHVURJKSA-N 0 3 371.525 3.191 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCOc2c(Cl)cccc21 ZINC000530231013 503883308 /nfs/dbraw/zinc/88/33/08/503883308.db2.gz LOYKUBQJKZOOEA-YOEHRIQHSA-N 0 3 358.825 3.065 20 30 FGEDHN C[C@H](NCCC(=O)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543871275 503923327 /nfs/dbraw/zinc/92/33/27/503923327.db2.gz ZZBPJCJQCCOPMF-KRWDZBQOSA-N 0 3 363.461 3.125 20 30 FGEDHN C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000540989119 503966577 /nfs/dbraw/zinc/96/65/77/503966577.db2.gz VQVYQWOCXNVONY-HNAYVOBHSA-N 0 3 353.441 3.115 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](CO)C2CCCCC2)c1C ZINC000541055389 503988653 /nfs/dbraw/zinc/98/86/53/503988653.db2.gz YKMLLMSYCOGAGI-LJQANCHMSA-N 0 3 357.498 3.081 20 30 FGEDHN C=C[C@@H](CC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000533987624 504009759 /nfs/dbraw/zinc/00/97/59/504009759.db2.gz OUULJTOWAYYNEB-PZJWPPBQSA-N 0 3 356.510 3.450 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1Cl ZINC000530669720 504047372 /nfs/dbraw/zinc/04/73/72/504047372.db2.gz PRWQHTMKJUDDTH-UHFFFAOYSA-N 0 3 357.841 3.333 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C#N)c1 ZINC000530670758 504047599 /nfs/dbraw/zinc/04/75/99/504047599.db2.gz MBSVHLRPWJQMMZ-UHFFFAOYSA-N 0 3 355.869 3.345 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000530756688 504078172 /nfs/dbraw/zinc/07/81/72/504078172.db2.gz HIBIKGAPOZMCBH-NHCUHLMSSA-N 0 3 367.489 3.480 20 30 FGEDHN Cc1cc(C(F)(F)F)nc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000544395544 504117185 /nfs/dbraw/zinc/11/71/85/504117185.db2.gz ZGGRGMVYFVNHEX-UHFFFAOYSA-N 0 3 363.387 3.244 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(CC[C@H]2CCCCO2)CC1 ZINC000544410047 504122453 /nfs/dbraw/zinc/12/24/53/504122453.db2.gz RPJORCKFPRCAPA-GOSISDBHSA-N 0 3 350.466 3.188 20 30 FGEDHN C[C@H]1CN(CCC2CCN(Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000530939624 504136830 /nfs/dbraw/zinc/13/68/30/504136830.db2.gz HGNJSPOLCZMIAX-IRXDYDNUSA-N 0 3 359.489 3.409 20 30 FGEDHN C=CCCC[C@H](C)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000538148083 504146451 /nfs/dbraw/zinc/14/64/51/504146451.db2.gz TVJQKTVOCSYDFL-ZDUSSCGKSA-N 0 3 369.307 3.115 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528293682 504153142 /nfs/dbraw/zinc/15/31/42/504153142.db2.gz INAWSXFSPOSDOL-ICSRJNTNSA-N 0 3 352.482 3.252 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528293684 504153433 /nfs/dbraw/zinc/15/34/33/504153433.db2.gz INAWSXFSPOSDOL-QUCCMNQESA-N 0 3 352.482 3.252 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000538190907 504156208 /nfs/dbraw/zinc/15/62/08/504156208.db2.gz KBEDUCXHILEAKT-GOSISDBHSA-N 0 3 351.450 3.041 20 30 FGEDHN COc1cccc([C@H]2CCCN2C[C@H](O)COc2ccccc2C#N)c1 ZINC000528335689 504174839 /nfs/dbraw/zinc/17/48/39/504174839.db2.gz DAABOWHQMIRFHB-AZUAARDMSA-N 0 3 352.434 3.144 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000538270281 504182667 /nfs/dbraw/zinc/18/26/67/504182667.db2.gz PJMJTSVZQFWOCT-SJLPKXTDSA-N 0 3 351.450 3.039 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(COc2ccccc2)CC1 ZINC000528359910 504186901 /nfs/dbraw/zinc/18/69/01/504186901.db2.gz TYXBTIBDRDWHTR-HXUWFJFHSA-N 0 3 366.461 3.089 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(OCC2CCCCC2)CC1 ZINC000528390040 504202194 /nfs/dbraw/zinc/20/21/94/504202194.db2.gz NIYALXNMWACZST-FQEVSTJZSA-N 0 3 372.509 3.359 20 30 FGEDHN C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000544688450 504218923 /nfs/dbraw/zinc/21/89/23/504218923.db2.gz SKTKCFGCMPBFDX-UWVAXJGDSA-N 0 3 356.514 3.456 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Br)cc1Cl)c1ccncn1 ZINC000544694114 504221404 /nfs/dbraw/zinc/22/14/04/504221404.db2.gz CQPLQVAFWNPHOY-VIFPVBQESA-N 0 3 351.591 3.138 20 30 FGEDHN CN(CCC(=O)N[C@@H](C#N)c1cccc(Br)c1)c1ccncc1 ZINC000519449296 504222586 /nfs/dbraw/zinc/22/25/86/504222586.db2.gz QIMJJIWATPICOR-INIZCTEOSA-N 0 3 373.254 3.051 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(F)(c2ccccc2)CC1 ZINC000528484696 504242876 /nfs/dbraw/zinc/24/28/76/504242876.db2.gz KWPGEXYMPRVWKN-IBGZPJMESA-N 0 3 354.425 3.259 20 30 FGEDHN CC[C@H]1CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1O ZINC000534863999 504264058 /nfs/dbraw/zinc/26/40/58/504264058.db2.gz QGRPLEPHXTVGTL-VQTJNVASSA-N 0 3 366.461 3.349 20 30 FGEDHN CN(C)[C@@]1(CNC(=O)c2ccccc2-c2ccccc2C#N)CCSC1 ZINC000531363550 504279478 /nfs/dbraw/zinc/27/94/78/504279478.db2.gz PNKKFWREZGHOJH-OAQYLSRUSA-N 0 3 365.502 3.392 20 30 FGEDHN N#Cc1cnc2c(Cl)cccc2c1N1CCN(C2CCOCC2)CC1 ZINC000519645604 504287707 /nfs/dbraw/zinc/28/77/07/504287707.db2.gz VKKLRTNIVKPYJK-UHFFFAOYSA-N 0 3 356.857 3.061 20 30 FGEDHN COCCc1noc(CC2CCN([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000528626108 504300502 /nfs/dbraw/zinc/30/05/02/504300502.db2.gz IUTRREGDFMEJTB-OAHLLOKOSA-N 0 3 354.454 3.146 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC000541921497 504302467 /nfs/dbraw/zinc/30/24/67/504302467.db2.gz JVQDDDIODVBFMI-XLIONFOSSA-N 0 3 354.498 3.375 20 30 FGEDHN N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1C1CCOCC1 ZINC000538627522 504308148 /nfs/dbraw/zinc/30/81/48/504308148.db2.gz ISSIMYGWKXNYRI-KRWDZBQOSA-N 0 3 359.495 3.132 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C)N(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]2C ZINC000541988896 504326467 /nfs/dbraw/zinc/32/64/67/504326467.db2.gz CCDFDHRXFYCAKO-FRQCXROJSA-N 0 3 366.461 3.314 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1C#N ZINC000528770339 504372864 /nfs/dbraw/zinc/37/28/64/504372864.db2.gz YZBIXXPHFRXCJF-NEVJAFOQSA-N 0 3 372.513 3.432 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCNc1ccncc1 ZINC000535261342 504387167 /nfs/dbraw/zinc/38/71/67/504387167.db2.gz NCBUYLMMWVIPCB-AWEZNQCLSA-N 0 3 355.467 3.131 20 30 FGEDHN C=CCOc1ccc(CNC[C@H]2CN(CC(C)C)CCO2)cc1Cl ZINC000520208413 504435799 /nfs/dbraw/zinc/43/57/99/504435799.db2.gz SPQWEVREINRDSA-KRWDZBQOSA-N 0 3 352.906 3.351 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1ccccc1O ZINC000542322390 504450482 /nfs/dbraw/zinc/45/04/82/504450482.db2.gz IIZCZYQZSXBTSN-UHFFFAOYSA-N 0 3 369.490 3.317 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CC=CCC2)cc1 ZINC000529081922 504525087 /nfs/dbraw/zinc/52/50/87/504525087.db2.gz NLRPAMVUWYAFDB-CABCVRRESA-N 0 3 361.467 3.240 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC(=O)NC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000539329380 504531342 /nfs/dbraw/zinc/53/13/42/504531342.db2.gz HNXUMRPUMUANCB-HNNXBMFYSA-N 0 3 369.387 3.291 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccc(COC)c(C#N)c1 ZINC000529205980 504582444 /nfs/dbraw/zinc/58/24/44/504582444.db2.gz KXYIYDZKJNEOGL-UHFFFAOYSA-N 0 3 358.486 3.434 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccccc2OC2CCC2)cc1 ZINC000520798645 504585090 /nfs/dbraw/zinc/58/50/90/504585090.db2.gz YYKSXCHPHDTGLI-SFHVURJKSA-N 0 3 352.434 3.019 20 30 FGEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1OC(F)F ZINC000539483899 504585863 /nfs/dbraw/zinc/58/58/63/504585863.db2.gz WZMQVKVUQWSEFJ-KDOFPFPSSA-N 0 3 352.381 3.371 20 30 FGEDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(C#N)c(F)c3)cn2)CC1 ZINC000539608590 504625201 /nfs/dbraw/zinc/62/52/01/504625201.db2.gz SYBRRWXOUBAYOL-MRXNPFEDSA-N 0 3 367.472 3.085 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1c1ccnn1C)C(C)C ZINC000539713465 504663073 /nfs/dbraw/zinc/66/30/73/504663073.db2.gz ZNQXTEZIPYFSSL-PMACEKPBSA-N 0 3 373.545 3.355 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H](OCC)[C@@]23CCCO3)ccc1OC ZINC000546056739 504692227 /nfs/dbraw/zinc/69/22/27/504692227.db2.gz RIHKXWPVXIHPKE-QHAWAJNXSA-N 0 3 361.482 3.466 20 30 FGEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000532568752 504694352 /nfs/dbraw/zinc/69/43/52/504694352.db2.gz VQBKOYSGBXSFCK-FGZHOGPDSA-N 0 3 367.468 3.467 20 30 FGEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549126161 504695328 /nfs/dbraw/zinc/69/53/28/504695328.db2.gz LZBQOOZKCBYQCK-JRGCBEDISA-N 0 3 362.477 3.113 20 30 FGEDHN N#Cc1ccc(CNCCCNc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000532588047 504702436 /nfs/dbraw/zinc/70/24/36/504702436.db2.gz HFSCGCLFLJGTHM-UHFFFAOYSA-N 0 3 352.335 3.125 20 30 FGEDHN N#CC1(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000549205546 504723809 /nfs/dbraw/zinc/72/38/09/504723809.db2.gz AJLKAVSGRQGCCT-LEWJYISDSA-N 0 3 374.488 3.258 20 30 FGEDHN N#CC(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccncn1 ZINC000546153703 504727891 /nfs/dbraw/zinc/72/78/91/504727891.db2.gz QLOXFVUQDGHDME-MRXNPFEDSA-N 0 3 373.372 3.487 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H](O)C1 ZINC000539882040 504727886 /nfs/dbraw/zinc/72/78/86/504727886.db2.gz HWUOLCKMQABZRL-CYGODWOOSA-N 0 3 374.488 3.231 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)C(C)C ZINC000556127385 504802266 /nfs/dbraw/zinc/80/22/66/504802266.db2.gz LWOGWWMLOJTLEA-LJQANCHMSA-N 0 3 369.509 3.345 20 30 FGEDHN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCN1Cc1ccccc1 ZINC000553044012 504812967 /nfs/dbraw/zinc/81/29/67/504812967.db2.gz QYHBELNGAZVZCD-UHFFFAOYSA-N 0 3 365.437 3.149 20 30 FGEDHN N#Cc1cccc(OC2CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)c1 ZINC000549409827 504814877 /nfs/dbraw/zinc/81/48/77/504814877.db2.gz ZIQZVXDFWLQLBV-LJQANCHMSA-N 0 3 354.425 3.144 20 30 FGEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000553054504 504815057 /nfs/dbraw/zinc/81/50/57/504815057.db2.gz JVLIVFBOOIHZFA-PZJWPPBQSA-N 0 3 367.449 3.019 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C#N)cn2)CC1 ZINC000559290142 504821527 /nfs/dbraw/zinc/82/15/27/504821527.db2.gz KBJJVCYHRQMPLF-INIZCTEOSA-N 0 3 367.472 3.085 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCN(C)c1ccncc1 ZINC000553121330 504832207 /nfs/dbraw/zinc/83/22/07/504832207.db2.gz SQNIGIYGGQJPLL-UHFFFAOYSA-N 0 3 355.486 3.290 20 30 FGEDHN C=CCCC1(C(=O)N2CCC[C@@H](c3n[nH]cc3CN3CCCC3)C2)CC1 ZINC000553180022 504846118 /nfs/dbraw/zinc/84/61/18/504846118.db2.gz MUWIPKDGMHJDRQ-QGZVFWFLSA-N 0 3 356.514 3.458 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCC#Cc2cccc(F)c2)c1 ZINC000549589316 504855334 /nfs/dbraw/zinc/85/53/34/504855334.db2.gz QFXCIZDDDJFOBQ-UHFFFAOYSA-N 0 3 367.468 3.259 20 30 FGEDHN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC000549692881 504874886 /nfs/dbraw/zinc/87/48/86/504874886.db2.gz KVZVDCXVSCGENB-UHFFFAOYSA-N 0 3 369.488 3.116 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1C[C@@H](C)O)C(C)C ZINC000562622405 504883790 /nfs/dbraw/zinc/88/37/90/504883790.db2.gz MUMSCNAQPMEDEQ-CEXWTWQISA-N 0 3 351.535 3.020 20 30 FGEDHN COc1ccc([C@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 ZINC000562703549 504914616 /nfs/dbraw/zinc/91/46/16/504914616.db2.gz KIKXVYCWBZEMPA-NHCUHLMSSA-N 0 3 361.445 3.413 20 30 FGEDHN CN(C)C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000556616072 504921943 /nfs/dbraw/zinc/92/19/43/504921943.db2.gz QBDLVWSPXSQBRR-GOSISDBHSA-N 0 3 353.857 3.252 20 30 FGEDHN Cc1cnccc1OC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000562903318 504981214 /nfs/dbraw/zinc/98/12/14/504981214.db2.gz AQPZTOCCCNGNHO-UHFFFAOYSA-N 0 3 364.449 3.134 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000550167415 504983150 /nfs/dbraw/zinc/98/31/50/504983150.db2.gz NCRHVSZAGYIMCE-RTBURBONSA-N 0 3 373.460 3.208 20 30 FGEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000565828501 504999848 /nfs/dbraw/zinc/99/98/48/504999848.db2.gz RXJANBHUPZKULA-UHFFFAOYSA-N 0 3 360.454 3.038 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000553783821 505009221 /nfs/dbraw/zinc/00/92/21/505009221.db2.gz UBYDFCMLMVMUGU-FRQCXROJSA-N 0 3 358.482 3.062 20 30 FGEDHN Cc1cccc(COc2ccc([C@H](C)NCCn3cnc(C#N)n3)cc2)c1 ZINC000556921858 505017733 /nfs/dbraw/zinc/01/77/33/505017733.db2.gz YFAABQMQXNMBBL-KRWDZBQOSA-N 0 3 361.449 3.388 20 30 FGEDHN CN1C(=O)NCC12CCN(Cc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000563025533 505024670 /nfs/dbraw/zinc/02/46/70/505024670.db2.gz HQMDTGPZDDLFEA-UHFFFAOYSA-N 0 3 360.461 3.215 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000553865527 505028992 /nfs/dbraw/zinc/02/89/92/505028992.db2.gz PHOMSQCQRLYSMU-HXUWFJFHSA-N 0 3 358.869 3.264 20 30 FGEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000560256924 505030765 /nfs/dbraw/zinc/03/07/65/505030765.db2.gz KBGKPGCESMNYOK-JLTOFOAXSA-N 0 3 350.422 3.080 20 30 FGEDHN C[C@H](CO)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCC1 ZINC000553909602 505039640 /nfs/dbraw/zinc/03/96/40/505039640.db2.gz MOUHUPZYAJPXOX-OAHLLOKOSA-N 0 3 363.889 3.212 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc4c(n3)CCC4)C2)c(F)c1 ZINC000563099409 505047686 /nfs/dbraw/zinc/04/76/86/505047686.db2.gz WCKMQXLZXXFQQU-GOSISDBHSA-N 0 3 350.441 3.340 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)c1ccccc1 ZINC000557122481 505071873 /nfs/dbraw/zinc/07/18/73/505071873.db2.gz SGAPOJLSDQNVFC-QUCCMNQESA-N 0 3 371.525 3.047 20 30 FGEDHN CN(C(=O)NCc1ccc(C#N)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000566085011 505075978 /nfs/dbraw/zinc/07/59/78/505075978.db2.gz BROAPLLJNYUQOW-MRXNPFEDSA-N 0 3 354.479 3.036 20 30 FGEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000550830874 505111027 /nfs/dbraw/zinc/11/10/27/505111027.db2.gz JPZAXMKAVLLUON-KXBFYZLASA-N 0 3 357.479 3.420 20 30 FGEDHN CN(CCCN(C)Cc1ccco1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000560536718 505117910 /nfs/dbraw/zinc/11/79/10/505117910.db2.gz PVXJIPOCAJBCOO-UHFFFAOYSA-N 0 3 374.872 3.197 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H](N1CCOCC1)C(F)(F)F ZINC000560583924 505134333 /nfs/dbraw/zinc/13/43/33/505134333.db2.gz DAPLUVJNUUGSED-MSOLQXFVSA-N 0 3 367.415 3.178 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(C#N)cc1OC)c1ccco1 ZINC000554299464 505138939 /nfs/dbraw/zinc/13/89/39/505138939.db2.gz WQHLBEIMLXYFRD-CJNGLKHVSA-N 0 3 356.426 3.411 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cncc(OC)c1 ZINC000554680398 505238441 /nfs/dbraw/zinc/23/84/41/505238441.db2.gz UOMVTXRRYPMJPC-UHFFFAOYSA-N 0 3 373.526 3.188 20 30 FGEDHN CCC(CC)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000554737771 505253133 /nfs/dbraw/zinc/25/31/33/505253133.db2.gz RWLULTLEJNUWAH-HXUWFJFHSA-N 0 3 371.506 3.494 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](CC2CCC2)c2ccccc2)nc1 ZINC000554739474 505254007 /nfs/dbraw/zinc/25/40/07/505254007.db2.gz ZARGKOPPHXWSMP-LJQANCHMSA-N 0 3 369.490 3.248 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000554776453 505261860 /nfs/dbraw/zinc/26/18/60/505261860.db2.gz YJCRAYSGKXMJFC-HXUWFJFHSA-N 0 3 362.521 3.369 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000551854461 505326739 /nfs/dbraw/zinc/32/67/39/505326739.db2.gz NKJNFBZUEAJENE-KRWDZBQOSA-N 0 3 364.367 3.301 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@H]2c3ccccc3CCN2C1=O)C(C)C ZINC000558227542 505339237 /nfs/dbraw/zinc/33/92/37/505339237.db2.gz OOVBZWGQZAHZAK-VQTJNVASSA-N 0 3 367.493 3.247 20 30 FGEDHN N#Cc1ccc(CN(CC[C@H]2CCNC2=O)Cc2cccc(F)c2)cc1 ZINC000567109765 505366123 /nfs/dbraw/zinc/36/61/23/505366123.db2.gz OQNFGFQVSDIFFT-LJQANCHMSA-N 0 3 351.425 3.226 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000561535305 505371553 /nfs/dbraw/zinc/37/15/53/505371553.db2.gz ZBJCIHPJCXUAMZ-MRXNPFEDSA-N 0 3 358.482 3.206 20 30 FGEDHN C[C@H]1CCCc2ccccc2[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564321454 505384134 /nfs/dbraw/zinc/38/41/34/505384134.db2.gz CVUIJOCNVNWUKZ-MGPUTAFESA-N 0 3 369.490 3.030 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(CC2CC2)CC1 ZINC000555247062 505390066 /nfs/dbraw/zinc/39/00/66/505390066.db2.gz DSPWOCCCNFOWSD-UHFFFAOYSA-N 0 3 357.527 3.039 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(C#N)s2)N(C)C)cc1 ZINC000561653166 505400884 /nfs/dbraw/zinc/40/08/84/505400884.db2.gz VLHRYZKTWSACKR-QGZVFWFLSA-N 0 3 357.479 3.440 20 30 FGEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C(F)(F)F)c1 ZINC000558566534 505425195 /nfs/dbraw/zinc/42/51/95/505425195.db2.gz PPLBJXHJGSEUCK-HOCLYGCPSA-N 0 3 351.372 3.068 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000567431576 505460481 /nfs/dbraw/zinc/46/04/81/505460481.db2.gz RDXHUFQOICJSNJ-JVPBZIDWSA-N 0 3 365.468 3.113 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C(C)C)C2(CO)CCC2)c1C ZINC000555728306 505502592 /nfs/dbraw/zinc/50/25/92/505502592.db2.gz JMWBSGWKCGNUBE-NRFANRHFSA-N 0 3 371.525 3.327 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CCN1Cc1ccccc1 ZINC000552538150 505509999 /nfs/dbraw/zinc/50/99/99/505509999.db2.gz MBDLVMSUWCLKDI-KKSFZXQISA-N 0 3 362.477 3.017 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000562175867 505532866 /nfs/dbraw/zinc/53/28/66/505532866.db2.gz SSETWFSVCXRULN-HXUWFJFHSA-N 0 3 367.493 3.224 20 30 FGEDHN CN1CCC[C@H](NC[C@@H](O)COc2ccc(CC#N)cc2)c2ccccc21 ZINC000567686758 505536960 /nfs/dbraw/zinc/53/69/60/505536960.db2.gz BRZOVRLIIYTWQN-NQIIRXRSSA-N 0 3 365.477 3.053 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCCC2)CC1 ZINC000559004314 505549852 /nfs/dbraw/zinc/54/98/52/505549852.db2.gz VBGQPGPWNVXXBT-UHFFFAOYSA-N 0 3 355.486 3.487 20 30 FGEDHN C[C@@](C#N)(NC(=O)CS[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000564965688 505564139 /nfs/dbraw/zinc/56/41/39/505564139.db2.gz JUDJHTLQOAURNZ-ICSRJNTNSA-N 0 3 357.523 3.193 20 30 FGEDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599251195 506385885 /nfs/dbraw/zinc/38/58/85/506385885.db2.gz GGJDRBJGNKURQP-INIZCTEOSA-N 0 3 356.388 3.209 20 30 FGEDHN Cc1ccc(CN2CCC(C(=O)NCCCOC(C)C)CC2)cc1C#N ZINC000599265551 506389382 /nfs/dbraw/zinc/38/93/82/506389382.db2.gz XZFLQKNKPUVXFS-UHFFFAOYSA-N 0 3 357.498 3.010 20 30 FGEDHN COCCN(C[C@@H](O)COc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC000599271052 506392678 /nfs/dbraw/zinc/39/26/78/506392678.db2.gz HIKDXTINBLXJPR-YLJYHZDGSA-N 0 3 354.450 3.008 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N3CCC[C@](C)(C#N)C3)c(C)c2)CC1 ZINC000612036790 506402908 /nfs/dbraw/zinc/40/29/08/506402908.db2.gz PTIANLZZJHTQDL-OAQYLSRUSA-N 0 3 369.513 3.295 20 30 FGEDHN N#Cc1ccc(NCC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000596435978 506404303 /nfs/dbraw/zinc/40/43/03/506404303.db2.gz GMSIVXRDSZBZEP-UHFFFAOYSA-N 0 3 351.410 3.186 20 30 FGEDHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)CC1(C#N)CCOCC1)CCC2 ZINC000599330468 506414539 /nfs/dbraw/zinc/41/45/39/506414539.db2.gz ADANPYOZQAOGNJ-GDBMZVCRSA-N 0 3 363.527 3.086 20 30 FGEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000599350257 506422671 /nfs/dbraw/zinc/42/26/71/506422671.db2.gz PIEXDPMBHZHINQ-GOEBONIOSA-N 0 3 368.424 3.400 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000612100060 506434594 /nfs/dbraw/zinc/43/45/94/506434594.db2.gz PULDEBVLBAEZAE-OAQYLSRUSA-N 0 3 354.498 3.029 20 30 FGEDHN CCN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCN(C)C1 ZINC000596534670 506451630 /nfs/dbraw/zinc/45/16/30/506451630.db2.gz PQVLYQRMWOCICU-FQEVSTJZSA-N 0 3 362.477 3.461 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@](C)(C#N)C2)CCN1Cc1ccccc1 ZINC000612135344 506454554 /nfs/dbraw/zinc/45/45/54/506454554.db2.gz FIIBMAMPKMDYSJ-LMNJBCLMSA-N 0 3 354.498 3.375 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(-c2cccc(F)c2)n1)C(C)C ZINC000603287913 506476799 /nfs/dbraw/zinc/47/67/99/506476799.db2.gz WEXYHJRFUJGFKW-FQEVSTJZSA-N 0 3 370.472 3.440 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000593319398 506537475 /nfs/dbraw/zinc/53/74/75/506537475.db2.gz IDAGKDKRYNAQMX-JXFKEZNVSA-N 0 3 360.461 3.419 20 30 FGEDHN C/C=C\c1ccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)c(OC)c1 ZINC000583019861 506543220 /nfs/dbraw/zinc/54/32/20/506543220.db2.gz OROJVULJURTMGD-LLHWWHOWSA-N 0 3 352.434 3.129 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000596707696 506552783 /nfs/dbraw/zinc/55/27/83/506552783.db2.gz JINDLBTWOFPCCW-SFHVURJKSA-N 0 3 372.538 3.435 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1OCCc2ccccc21)C(C)C ZINC000603589063 506567355 /nfs/dbraw/zinc/56/73/55/506567355.db2.gz OXMCTQRUQHLMMA-SFTDATJTSA-N 0 3 371.525 3.298 20 30 FGEDHN C[C@@]1(C#N)CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000596797483 506604335 /nfs/dbraw/zinc/60/43/35/506604335.db2.gz UDSOTZZBDNOEOV-FQEVSTJZSA-N 0 3 356.470 3.319 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000583199840 506645779 /nfs/dbraw/zinc/64/57/79/506645779.db2.gz KMTPGMAMWDYTDV-YLJYHZDGSA-N 0 3 370.424 3.135 20 30 FGEDHN C=CCNC(=O)[C@H](C)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000603892365 506650261 /nfs/dbraw/zinc/65/02/61/506650261.db2.gz OCHNEASPKVRHKG-PXNSSMCTSA-N 0 3 372.509 3.126 20 30 FGEDHN COc1cc(NC(=O)N2CCN(C3CCCCC3)CC2)c(F)cc1C#N ZINC000599816652 506653506 /nfs/dbraw/zinc/65/35/06/506653506.db2.gz NNBUEPZCWSITPZ-UHFFFAOYSA-N 0 3 360.433 3.188 20 30 FGEDHN COc1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(F)cc1C#N ZINC000599819596 506656265 /nfs/dbraw/zinc/65/62/65/506656265.db2.gz MJCDQPMLYHFHOI-INIZCTEOSA-N 0 3 368.412 3.102 20 30 FGEDHN CN(C[C@H](O)COc1ccccc1Oc1ccc(C#N)cc1F)C1CC1 ZINC000583236757 506665241 /nfs/dbraw/zinc/66/52/41/506665241.db2.gz XFVUQCMPXLFXTA-INIZCTEOSA-N 0 3 356.397 3.324 20 30 FGEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H](O)Cc3ccc4ccccc4c3)C2)nc1 ZINC000590004518 506703771 /nfs/dbraw/zinc/70/37/71/506703771.db2.gz DZSSPGWVOCCXPR-FGZHOGPDSA-N 0 3 373.456 3.163 20 30 FGEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980587 506710373 /nfs/dbraw/zinc/71/03/73/506710373.db2.gz QZFJXPYPIBTASR-HNNXBMFYSA-N 0 3 369.490 3.082 20 30 FGEDHN CCCN1CCN(c2ccc(NC(=O)[C@@H](C#N)CC)c(OCC)c2)CC1 ZINC000593640170 506711331 /nfs/dbraw/zinc/71/13/31/506711331.db2.gz VZMWFWYFOCBLRS-MRXNPFEDSA-N 0 3 358.486 3.106 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000593688413 506733290 /nfs/dbraw/zinc/73/32/90/506733290.db2.gz QWLVOBQOURLUBY-UHFFFAOYSA-N 0 3 350.422 3.221 20 30 FGEDHN CN(C)CCn1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cn1 ZINC000590121149 506742199 /nfs/dbraw/zinc/74/21/99/506742199.db2.gz KNGYGGYYMHNPBD-GOSISDBHSA-N 0 3 354.458 3.001 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604193967 506745591 /nfs/dbraw/zinc/74/55/91/506745591.db2.gz MNBUUUTXRHPJJJ-NRFANRHFSA-N 0 3 370.541 3.163 20 30 FGEDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597127406 506790838 /nfs/dbraw/zinc/79/08/38/506790838.db2.gz SXKLSVUMFQAZNX-NRFANRHFSA-N 0 3 356.466 3.033 20 30 FGEDHN Cc1cnn(CCCCCN2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000609157837 506797076 /nfs/dbraw/zinc/79/70/76/506797076.db2.gz HHFATBKSBNJJLI-UHFFFAOYSA-N 0 3 351.498 3.051 20 30 FGEDHN CN(C)CCOc1ccc(-c2noc(CNc3ccc(C#N)cc3)n2)cc1 ZINC000612897479 506806356 /nfs/dbraw/zinc/80/63/56/506806356.db2.gz RLZWLTRLUVCTRC-UHFFFAOYSA-N 0 3 363.421 3.161 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000597166063 506808358 /nfs/dbraw/zinc/80/83/58/506808358.db2.gz BOPRSQSBKQJILN-INIZCTEOSA-N 0 3 352.519 3.147 20 30 FGEDHN COc1cccc([C@H](CNC(=O)C(C#N)CCc2ccccc2)OC)c1 ZINC000600166085 506816207 /nfs/dbraw/zinc/81/62/07/506816207.db2.gz VPNNVFZUMGITBW-QUCCMNQESA-N 0 3 352.434 3.271 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3cnc4ccccc4n3)CC2)c1 ZINC000600175837 506822788 /nfs/dbraw/zinc/82/27/88/506822788.db2.gz JBOHLDCOYQVMKJ-UHFFFAOYSA-N 0 3 357.461 3.256 20 30 FGEDHN CC(C)(C)Oc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000604436930 506831816 /nfs/dbraw/zinc/83/18/16/506831816.db2.gz XLWJUTHQYJNLJN-SFHVURJKSA-N 0 3 354.450 3.265 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000609338450 506857910 /nfs/dbraw/zinc/85/79/10/506857910.db2.gz IIDLSVNMZQQSKE-MSOLQXFVSA-N 0 3 354.425 3.121 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000609346734 506861596 /nfs/dbraw/zinc/86/15/96/506861596.db2.gz OFKUFMLVCITNRD-QKLQHJQFSA-N 0 3 357.498 3.341 20 30 FGEDHN N#CC1(CC(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCCCC1 ZINC000597345133 506907763 /nfs/dbraw/zinc/90/77/63/506907763.db2.gz GFVBCLWGGKVFDE-UHFFFAOYSA-N 0 3 355.482 3.446 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000594052017 506908531 /nfs/dbraw/zinc/90/85/31/506908531.db2.gz XPYPWMHJOFEUII-OFAXGOBFSA-N 0 3 373.500 3.470 20 30 FGEDHN N#C[C@]1(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)CC12CCCC2 ZINC000590699458 506915972 /nfs/dbraw/zinc/91/59/72/506915972.db2.gz UHPTYAMBJLYSKK-NRFANRHFSA-N 0 3 353.466 3.056 20 30 FGEDHN C[C@@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000609546512 506918201 /nfs/dbraw/zinc/91/82/01/506918201.db2.gz TVYVOVXQZJZOCC-IAGOWNOFSA-N 0 3 350.466 3.439 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594070435 506922252 /nfs/dbraw/zinc/92/22/52/506922252.db2.gz ZDVTVCPSLPSEAK-WMZOPIPTSA-N 0 3 356.470 3.484 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@H](O)C2CC2)cc1OCC ZINC000604764481 506932646 /nfs/dbraw/zinc/93/26/46/506932646.db2.gz QPYDDLTVMUIFGJ-HNNXBMFYSA-N 0 3 370.287 3.273 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C2 ZINC000594209833 507011842 /nfs/dbraw/zinc/01/18/42/507011842.db2.gz WLDJAFKMMVBPOL-NRFANRHFSA-N 0 3 360.461 3.421 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594216778 507017081 /nfs/dbraw/zinc/01/70/81/507017081.db2.gz NEWZBEGVSMFXJO-IERDGZPVSA-N 0 3 360.461 3.419 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000597616646 507032077 /nfs/dbraw/zinc/03/20/77/507032077.db2.gz IESMVIJAPGDCCS-LJQANCHMSA-N 0 3 371.525 3.200 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000609997448 507065459 /nfs/dbraw/zinc/06/54/59/507065459.db2.gz PQZKHUITTGFCCF-OAQYLSRUSA-N 0 3 366.509 3.004 20 30 FGEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN3CC[C@H]2C3)cc1 ZINC000597708357 507070071 /nfs/dbraw/zinc/07/00/71/507070071.db2.gz KMRSEMGHZLXQNZ-HNNXBMFYSA-N 0 3 351.381 3.020 20 30 FGEDHN Cc1ccc(NC(=O)NCc2ccc(C#N)cc2F)c(OCCN(C)C)c1 ZINC000610019696 507075498 /nfs/dbraw/zinc/07/54/98/507075498.db2.gz MEGAZHAUOVZJCI-UHFFFAOYSA-N 0 3 370.428 3.268 20 30 FGEDHN COC[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000591015698 507079308 /nfs/dbraw/zinc/07/93/08/507079308.db2.gz CPNAOWGXBKZCOF-KBPBESRZSA-N 0 3 361.511 3.184 20 30 FGEDHN COc1cccc(C(NC[C@H](O)CC2(C#N)CC2)c2cccc(OC)c2)c1 ZINC000600725428 507085576 /nfs/dbraw/zinc/08/55/76/507085576.db2.gz BTMXEDKYVTVJSX-GOSISDBHSA-N 0 3 366.461 3.438 20 30 FGEDHN Cc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)nc1 ZINC000591039555 507089218 /nfs/dbraw/zinc/08/92/18/507089218.db2.gz GGTSJHLSOZGAGU-UHFFFAOYSA-N 0 3 354.479 3.273 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2ccc(-c3ccco3)cc2F)CCOCC1 ZINC000600734122 507089945 /nfs/dbraw/zinc/08/99/45/507089945.db2.gz DRIMINWVLMWASD-KRWDZBQOSA-N 0 3 358.413 3.247 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594356119 507091538 /nfs/dbraw/zinc/09/15/38/507091538.db2.gz GYIRTGLUICBELI-HRAATJIYSA-N 0 3 365.477 3.165 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000594368645 507095930 /nfs/dbraw/zinc/09/59/30/507095930.db2.gz MDLMSYFHPZIJDD-HNNXBMFYSA-N 0 3 369.440 3.455 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000591065880 507097651 /nfs/dbraw/zinc/09/76/51/507097651.db2.gz FSTUASXWVAPAOC-BHIFYINESA-N 0 3 359.473 3.395 20 30 FGEDHN C[C@]1(NC(=O)c2cc(F)c(C#N)c(F)c2)CCN(Cc2ccccc2)C1 ZINC000597826390 507122375 /nfs/dbraw/zinc/12/23/75/507122375.db2.gz YEWRAOYSSCAMTG-FQEVSTJZSA-N 0 3 355.388 3.231 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594420397 507124766 /nfs/dbraw/zinc/12/47/66/507124766.db2.gz STUCEJYPUYPBLS-SJLPKXTDSA-N 0 3 370.522 3.299 20 30 FGEDHN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594426800 507127049 /nfs/dbraw/zinc/12/70/49/507127049.db2.gz HEIMEXGSRXQNNN-CRAIPNDOSA-N 0 3 356.470 3.051 20 30 FGEDHN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594430184 507129230 /nfs/dbraw/zinc/12/92/30/507129230.db2.gz ZZNSUMKQIBSYMC-JFIYKMOQSA-N 0 3 370.497 3.154 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000594430954 507129623 /nfs/dbraw/zinc/12/96/23/507129623.db2.gz DVIFQQCUZCXRNQ-QGZVFWFLSA-N 0 3 371.481 3.145 20 30 FGEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000597857382 507136486 /nfs/dbraw/zinc/13/64/86/507136486.db2.gz FXDWYNXPVAIZSV-KRWDZBQOSA-N 0 3 364.449 3.348 20 30 FGEDHN COc1ccc(-c2csc(CNC(=O)[C@@H](N)CCCCC#N)c2)cc1 ZINC000594446453 507137724 /nfs/dbraw/zinc/13/77/24/507137724.db2.gz TWQJLWLULNGTMD-SFHVURJKSA-N 0 3 357.479 3.451 20 30 FGEDHN COc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccc1OCCO ZINC000594495106 507153620 /nfs/dbraw/zinc/15/36/20/507153620.db2.gz MCGODVQRPNLKKS-UHFFFAOYSA-N 0 3 354.450 3.157 20 30 FGEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000594505949 507159718 /nfs/dbraw/zinc/15/97/18/507159718.db2.gz GGOGPNIQYXDZFK-IBGZPJMESA-N 0 3 354.498 3.258 20 30 FGEDHN CCn1nc(C(=O)C(C#N)c2ccc3ccccc3n2)c(=O)c2ccccc21 ZINC000605362704 507161511 /nfs/dbraw/zinc/16/15/11/507161511.db2.gz PNKMQEULOGEQKF-MRXNPFEDSA-N 0 3 368.396 3.455 20 30 FGEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594514174 507165293 /nfs/dbraw/zinc/16/52/93/507165293.db2.gz RIGSSDXCVKMQFI-NRFANRHFSA-N 0 3 374.488 3.416 20 30 FGEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000597923110 507175751 /nfs/dbraw/zinc/17/57/51/507175751.db2.gz LJHAZLYXNMMBSQ-QGZVFWFLSA-N 0 3 364.449 3.348 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000584151520 507179757 /nfs/dbraw/zinc/17/97/57/507179757.db2.gz YEOZETWVKFRQSM-PIKADFDJSA-N 0 3 373.472 3.254 20 30 FGEDHN C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551843 507182025 /nfs/dbraw/zinc/18/20/25/507182025.db2.gz SFFSOKQUMUQUHO-MORSLUCNSA-N 0 3 360.889 3.145 20 30 FGEDHN CN(CC(=O)N(C)C1CCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000597948344 507193507 /nfs/dbraw/zinc/19/35/07/507193507.db2.gz MXXZOZBOXYRJJW-GOSISDBHSA-N 0 3 355.482 3.008 20 30 FGEDHN N#Cc1ccccc1OCc1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000594650656 507221371 /nfs/dbraw/zinc/22/13/71/507221371.db2.gz ZJBNCLMDWCJLTR-HXUWFJFHSA-N 0 3 359.433 3.176 20 30 FGEDHN N#Cc1ccc(CNCCC2(O)CCN(c3ccccc3)CC2)c(F)c1 ZINC000601150141 507279213 /nfs/dbraw/zinc/27/92/13/507279213.db2.gz WRLPICUQEKLYDJ-UHFFFAOYSA-N 0 3 353.441 3.209 20 30 FGEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000598173294 507295230 /nfs/dbraw/zinc/29/52/30/507295230.db2.gz BLNXPLBMRPORCY-VNTMZGSJSA-N 0 3 368.477 3.339 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000610676970 507342874 /nfs/dbraw/zinc/34/28/74/507342874.db2.gz KRLYUUUWYSLCEP-UYAOXDASSA-N 0 3 354.425 3.121 20 30 FGEDHN COc1cc(-c2noc(C3(C#N)CC4(CC4)C3)n2)ccc1OCCN(C)C ZINC000601357454 507343213 /nfs/dbraw/zinc/34/32/13/507343213.db2.gz CLWRYULQFGFFHH-UHFFFAOYSA-N 0 3 368.437 3.021 20 30 FGEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591759609 507351349 /nfs/dbraw/zinc/35/13/49/507351349.db2.gz PQTAMYSKCPOKCT-VGOFRKELSA-N 0 3 362.477 3.082 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000591770839 507354424 /nfs/dbraw/zinc/35/44/24/507354424.db2.gz PTHBKAHCSKOCQZ-IBGZPJMESA-N 0 3 354.475 3.109 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000598298019 507363708 /nfs/dbraw/zinc/36/37/08/507363708.db2.gz WWJAHSQEMSXBDU-GUDVDZBRSA-N 0 3 365.477 3.483 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000598300375 507364551 /nfs/dbraw/zinc/36/45/51/507364551.db2.gz FXFNMGLTBAFOCM-PMACEKPBSA-N 0 3 351.450 3.048 20 30 FGEDHN CC(C)[C@H](O)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000598350356 507389895 /nfs/dbraw/zinc/38/98/95/507389895.db2.gz IFOWCLKVVFPZRH-HBMCJLEFSA-N 0 3 361.445 3.115 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614179366 507396562 /nfs/dbraw/zinc/39/65/62/507396562.db2.gz PYFFNDXSQKSAQV-HNNXBMFYSA-N 0 3 371.506 3.247 20 30 FGEDHN N#CC1(CC(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)CCOCC1 ZINC000601728232 507440792 /nfs/dbraw/zinc/44/07/92/507440792.db2.gz PYZWGTFBKLCJPG-HXUWFJFHSA-N 0 3 369.509 3.258 20 30 FGEDHN COc1cc(NC(=O)[C@@H](N)CCCC#N)c(Cl)cc1Br ZINC000595259151 507443167 /nfs/dbraw/zinc/44/31/67/507443167.db2.gz IEPNCEWVHRYPAL-JTQLQIEISA-N 0 3 360.639 3.071 20 30 FGEDHN CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295199 507450467 /nfs/dbraw/zinc/45/04/67/507450467.db2.gz HYPWAFGQKOUZPG-HNNXBMFYSA-N 0 3 357.479 3.049 20 30 FGEDHN CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295200 507451804 /nfs/dbraw/zinc/45/18/04/507451804.db2.gz HYPWAFGQKOUZPG-OAHLLOKOSA-N 0 3 357.479 3.049 20 30 FGEDHN CCOC(=O)CCC1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000610996199 507472929 /nfs/dbraw/zinc/47/29/29/507472929.db2.gz RARDAAVCYMCCKP-UHFFFAOYSA-N 0 3 360.454 3.001 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2OCc2cscn2)CC1 ZINC000592069410 507474374 /nfs/dbraw/zinc/47/43/74/507474374.db2.gz ISROBKOVVRLAPO-UHFFFAOYSA-N 0 3 357.479 3.102 20 30 FGEDHN CC[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)N1 ZINC000598531276 507475128 /nfs/dbraw/zinc/47/51/28/507475128.db2.gz HTTNHSGNVZICEN-OXJNMPFZSA-N 0 3 363.461 3.350 20 30 FGEDHN CSCC[C@H](NCCc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000595430750 507492994 /nfs/dbraw/zinc/49/29/94/507492994.db2.gz KWNADFXVLCOIGK-KRWDZBQOSA-N 0 3 351.479 3.227 20 30 FGEDHN Cc1cc(C)c2c(c1)CN(C[C@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000614415989 507502755 /nfs/dbraw/zinc/50/27/55/507502755.db2.gz HCHNNHTYSHRIHC-FQEVSTJZSA-N 0 3 350.462 3.168 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000611092214 507513779 /nfs/dbraw/zinc/51/37/79/507513779.db2.gz LQBCADONEURUOX-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2-c2nc(C(C)C)no2)CC1 ZINC000595469860 507515036 /nfs/dbraw/zinc/51/50/36/507515036.db2.gz LDYVTMPFBBVEAD-UHFFFAOYSA-N 0 3 354.454 3.240 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592182513 507527046 /nfs/dbraw/zinc/52/70/46/507527046.db2.gz CCAHYQMHEDICNY-ROUUACIJSA-N 0 3 355.482 3.213 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000595542811 507552522 /nfs/dbraw/zinc/55/25/22/507552522.db2.gz OWNLGAULUCVWCS-HOJAQTOUSA-N 0 3 354.498 3.375 20 30 FGEDHN CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)(C)C1 ZINC000611236354 507573586 /nfs/dbraw/zinc/57/35/86/507573586.db2.gz QDZHPEPYXVKKIQ-UHFFFAOYSA-N 0 3 374.554 3.243 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000592297041 507598732 /nfs/dbraw/zinc/59/87/32/507598732.db2.gz UNPOQIDDAMCJKF-MRXNPFEDSA-N 0 3 373.497 3.076 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000598806716 507610855 /nfs/dbraw/zinc/61/08/55/507610855.db2.gz CRIWSYMWEQJZQP-CHWSQXEVSA-N 0 3 373.375 3.037 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000598806718 507611270 /nfs/dbraw/zinc/61/12/70/507611270.db2.gz CRIWSYMWEQJZQP-QWHCGFSZSA-N 0 3 373.375 3.037 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccncc1C#N ZINC000592345775 507611816 /nfs/dbraw/zinc/61/18/16/507611816.db2.gz XDDYHPXWNJNYKJ-UHFFFAOYSA-N 0 3 368.510 3.051 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000595692278 507630736 /nfs/dbraw/zinc/63/07/36/507630736.db2.gz MZDPMRVQDDJRDX-GBESFXJTSA-N 0 3 354.498 3.341 20 30 FGEDHN CCNC(=O)COc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611391048 507659641 /nfs/dbraw/zinc/65/96/41/507659641.db2.gz NVMZBWPURIZEAQ-OAQYLSRUSA-N 0 3 363.461 3.240 20 30 FGEDHN CN(C)C(=O)COc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390901 507659733 /nfs/dbraw/zinc/65/97/33/507659733.db2.gz JXQLCXMKGQSAHS-OAQYLSRUSA-N 0 3 363.461 3.192 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000611394559 507660847 /nfs/dbraw/zinc/66/08/47/507660847.db2.gz PZZSJUWHTVLWPA-CVEARBPZSA-N 0 3 351.372 3.079 20 30 FGEDHN N#Cc1cccc(C2(NCCc3nc(-c4ccccc4)no3)CCOCC2)c1 ZINC000595764180 507674231 /nfs/dbraw/zinc/67/42/31/507674231.db2.gz GJQJZMHDSXQJFT-UHFFFAOYSA-N 0 3 374.444 3.446 20 30 FGEDHN COc1ccc([C@@H](C)NC2CCN(CC#N)CC2)c(Br)c1 ZINC000611438406 507682989 /nfs/dbraw/zinc/68/29/89/507682989.db2.gz FGHCIRMSXMZVEH-GFCCVEGCSA-N 0 3 352.276 3.096 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000592504841 507684002 /nfs/dbraw/zinc/68/40/02/507684002.db2.gz AFKGLXGMJDONBX-SJCJKPOMSA-N 0 3 355.829 3.120 20 30 FGEDHN Cn1cc(CNCCN2Cc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000611497723 507707714 /nfs/dbraw/zinc/70/77/14/507707714.db2.gz BZVMLWZNJWWDBR-UHFFFAOYSA-N 0 3 357.461 3.064 20 30 FGEDHN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C[C@H](C)CCC#N ZINC000602435469 507711558 /nfs/dbraw/zinc/71/15/58/507711558.db2.gz UDNMSJXBOJQHOW-RHSMWYFYSA-N 0 3 360.454 3.106 20 30 FGEDHN C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@H](N)c1ccccc1 ZINC000595967095 507752187 /nfs/dbraw/zinc/75/21/87/507752187.db2.gz DDNOISYSGHRQED-UZLBHIALSA-N 0 3 363.461 3.016 20 30 FGEDHN CC(C)N(C(=O)c1cc(C#N)cn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592695356 507766789 /nfs/dbraw/zinc/76/67/89/507766789.db2.gz ZZFCJYZKPBUCSB-LJQANCHMSA-N 0 3 350.466 3.022 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)N[C@@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000328635416 521614283 /nfs/dbraw/zinc/61/42/83/521614283.db2.gz URTTXIVQPJWTFI-QXAKKESOSA-N 0 3 359.518 3.148 20 30 FGEDHN C=CC[N@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)CC1CCCCC1 ZINC000735418956 598755910 /nfs/dbraw/zinc/75/59/10/598755910.db2.gz MTTGIVHGHZFQAE-UHFFFAOYSA-N 0 3 374.514 3.325 20 30 FGEDHN C=CC[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)CC1CCCCC1 ZINC000735418956 598755911 /nfs/dbraw/zinc/75/59/11/598755911.db2.gz MTTGIVHGHZFQAE-UHFFFAOYSA-N 0 3 374.514 3.325 20 30 FGEDHN C=CC[N@H+](CCC(=O)Nc1sccc1-c1nn[n-]n1)CC1CCCCC1 ZINC000735418956 598755912 /nfs/dbraw/zinc/75/59/12/598755912.db2.gz MTTGIVHGHZFQAE-UHFFFAOYSA-N 0 3 374.514 3.325 20 30 FGEDHN C=CC[N@@H+](CCC(=O)Nc1sccc1-c1nn[n-]n1)CC1CCCCC1 ZINC000735418956 598755913 /nfs/dbraw/zinc/75/59/13/598755913.db2.gz MTTGIVHGHZFQAE-UHFFFAOYSA-N 0 3 374.514 3.325 20 30 FGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823888444 608287332 /nfs/dbraw/zinc/28/73/32/608287332.db2.gz MMHNDOYYOQMFME-VBJONLRCSA-N 0 3 356.474 3.142 20 30 FGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823888444 608287333 /nfs/dbraw/zinc/28/73/33/608287333.db2.gz MMHNDOYYOQMFME-VBJONLRCSA-N 0 3 356.474 3.142 20 30 FGEDHN C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(OCC#N)cc1 ZINC000824548420 608519651 /nfs/dbraw/zinc/51/96/51/608519651.db2.gz XFASQSZZJATPSH-VLIAUNLRSA-N 0 3 374.448 3.497 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000069244295 695948396 /nfs/dbraw/zinc/94/83/96/695948396.db2.gz MKCMIGROKZJWDQ-HNNXBMFYSA-N 0 3 352.276 3.031 20 30 FGEDHN N#CC(C(=O)Cc1ccccc1C(F)(F)F)C(=O)NC1CCCCC1 ZINC000105756673 700504422 /nfs/dbraw/zinc/50/44/22/700504422.db2.gz BTMRDSPVMKNDQM-CQSZACIVSA-N 0 3 352.356 3.406 20 30 FGEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000111945284 700551844 /nfs/dbraw/zinc/55/18/44/700551844.db2.gz SEZGLDVONWDOJL-QWHCGFSZSA-N 0 3 352.793 3.476 20 30 FGEDHN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000112222374 700556701 /nfs/dbraw/zinc/55/67/01/700556701.db2.gz JYOWYLRKDGAYFU-HZPDHXFCSA-N 0 3 355.463 3.155 20 30 FGEDHN N#CC(C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)N1CCCC1 ZINC000119554016 700632713 /nfs/dbraw/zinc/63/27/13/700632713.db2.gz JPLKKKMATMGBMH-LBPRGKRZSA-N 0 3 369.248 3.484 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCSC ZINC000131007210 700809089 /nfs/dbraw/zinc/80/90/89/700809089.db2.gz DBPIGDZOGJGXAK-LLVKDONJSA-N 0 3 354.859 3.448 20 30 FGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000133384428 700837684 /nfs/dbraw/zinc/83/76/84/700837684.db2.gz IJJLVZFMGIWPPC-ZDUSSCGKSA-N 0 3 372.837 3.117 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 ZINC000149870418 704897626 /nfs/dbraw/zinc/89/76/26/704897626.db2.gz GZOCPBTVCDJKRV-UHFFFAOYSA-N 0 3 351.328 3.130 20 30 FGEDHN C[C@@]1(NCC(=O)N(CCC#N)c2cccc(Cl)c2)CCO[C@H]1C1CC1 ZINC000374596186 713933132 /nfs/dbraw/zinc/93/31/32/713933132.db2.gz QCHDCBDGSSAOCS-RBUKOAKNSA-N 0 3 361.873 3.134 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000573437458 714451051 /nfs/dbraw/zinc/45/10/51/714451051.db2.gz BHHMILDODJOMIZ-WOJBJXKFSA-N 0 3 357.885 3.225 20 30 FGEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(NS(C)(=O)=O)c1 ZINC000618805695 714779974 /nfs/dbraw/zinc/77/99/74/714779974.db2.gz OZKLEJHQKIATJJ-BFUOFWGJSA-N 0 3 355.463 3.268 20 30 FGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000802800773 724407987 /nfs/dbraw/zinc/40/79/87/724407987.db2.gz VBSXZJSNGOENOU-QLFBSQMISA-N 0 3 352.356 3.332 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780310289 724457237 /nfs/dbraw/zinc/45/72/37/724457237.db2.gz XEWAQASXDLJOOE-UKTARXLSSA-N 0 3 353.205 3.066 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646920814 718321881 /nfs/dbraw/zinc/32/18/81/718321881.db2.gz VKDAABHGSULFBT-WFASDCNBSA-N 0 3 354.372 3.046 20 30 FGEDHN C=C(C)CN1CCC(Nc2cc(C(F)(F)F)c(C(=O)OC)cn2)CC1 ZINC000804437702 724517315 /nfs/dbraw/zinc/51/73/15/724517315.db2.gz FTMLXGCDCZYAKE-UHFFFAOYSA-N 0 3 357.376 3.339 20 30 FGEDHN C=CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000661759911 720315210 /nfs/dbraw/zinc/31/52/10/720315210.db2.gz MDMILLROZHTLJV-UHFFFAOYSA-N 0 3 352.400 3.460 20 30 FGEDHN N#CC(C(=O)c1cnc2ncc(Br)cc2c1)c1ccccn1 ZINC000682012791 722231280 /nfs/dbraw/zinc/23/12/80/722231280.db2.gz QZFOUHUAEKOBDW-ZDUSSCGKSA-N 0 3 353.179 3.277 20 30 FGEDHN CC[C@H](O)[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733997922 722503245 /nfs/dbraw/zinc/50/32/45/722503245.db2.gz WKEYNLLTJVBCKB-IMJJTQAJSA-N 0 3 357.479 3.098 20 30 FGEDHN CCCCCCCCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000740873720 722538842 /nfs/dbraw/zinc/53/88/42/722538842.db2.gz XXMGTWASUCOPPP-UHFFFAOYSA-N 0 3 362.543 3.234 20 30 FGEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[O-] ZINC000741465306 722546147 /nfs/dbraw/zinc/54/61/47/722546147.db2.gz UESPHFFCQFMEEJ-CYEMMQIZSA-N 0 3 359.495 3.151 20 30 FGEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[O-] ZINC000741465306 722546148 /nfs/dbraw/zinc/54/61/48/722546148.db2.gz UESPHFFCQFMEEJ-CYEMMQIZSA-N 0 3 359.495 3.151 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790745970 723172500 /nfs/dbraw/zinc/17/25/00/723172500.db2.gz FTTWRCOUEMFVQK-SJORKVTESA-N 0 3 350.384 3.142 20 30 FGEDHN COCC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000773722019 723816888 /nfs/dbraw/zinc/81/68/88/723816888.db2.gz SOZHOELSJAHPLT-CQSZACIVSA-N 0 3 357.479 3.221 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)OC)CC1 ZINC000797579268 723837320 /nfs/dbraw/zinc/83/73/20/723837320.db2.gz CHUBDXJJTSGVIA-UHFFFAOYSA-N 0 3 369.248 3.064 20 30 FGEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800409479 724193419 /nfs/dbraw/zinc/19/34/19/724193419.db2.gz MVJVHWQSSYIOBX-JSGCOSHPSA-N 0 3 354.784 3.491 20 30 FGEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)NCc2cccc(C)c2)cs1 ZINC000786551926 724988405 /nfs/dbraw/zinc/98/84/05/724988405.db2.gz HVZPVVHTCUPOLE-KRWDZBQOSA-N 0 3 355.463 3.108 20 30 FGEDHN CCn1cnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000806306192 725123142 /nfs/dbraw/zinc/12/31/42/725123142.db2.gz ITTSYZIBAQOBLD-ZDUSSCGKSA-N 0 3 369.475 3.390 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCOCC(F)(F)F ZINC000808018680 725179969 /nfs/dbraw/zinc/17/99/69/725179969.db2.gz NZCUBNMDMJDSKA-UHFFFAOYSA-N 0 3 364.437 3.121 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(CCF)c1 ZINC000808979985 725222092 /nfs/dbraw/zinc/22/20/92/725222092.db2.gz QJVZSNQLIIKZJT-ZDUSSCGKSA-N 0 3 369.183 3.121 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000809903014 725275188 /nfs/dbraw/zinc/27/51/88/725275188.db2.gz WNNKBQMFLZOGSJ-ZIAGYGMSSA-N 0 3 360.893 3.098 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810530177 725312782 /nfs/dbraw/zinc/31/27/82/725312782.db2.gz XOPVOYKSAAWGBZ-NSHDSACASA-N 0 3 352.793 3.444 20 30 FGEDHN N#CC(C(=O)COc1cc(F)cc(F)c1)C(=O)Nc1ccccc1Cl ZINC000810529954 725312819 /nfs/dbraw/zinc/31/28/19/725312819.db2.gz RTQDXUTXTJSNAA-ZDUSSCGKSA-N 0 3 364.735 3.345 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000818595958 727315862 /nfs/dbraw/zinc/31/58/62/727315862.db2.gz WEEAQUCPEONLRC-ZDUSSCGKSA-N 0 3 369.328 3.001 20 30 FGEDHN C#C[C@@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(Br)cc1 ZINC000820616227 729010875 /nfs/dbraw/zinc/01/08/75/729010875.db2.gz GYIAVDVVXYLNHJ-MRXNPFEDSA-N 0 3 366.303 3.105 20 30 FGEDHN C#C[C@@H](NC(=O)N(CCC)[C@H]1CCN(C)C1)c1ccc(Cl)cc1F ZINC000820756223 729027266 /nfs/dbraw/zinc/02/72/66/729027266.db2.gz ZXKMBLXEDOQTMB-WMLDXEAASA-N 0 3 351.853 3.279 20 30 FGEDHN C#CCCOc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000826764407 729414423 /nfs/dbraw/zinc/41/44/23/729414423.db2.gz ONEWHZSXLRVILV-UHFFFAOYSA-N 0 3 356.491 3.354 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000835056948 729854157 /nfs/dbraw/zinc/85/41/57/729854157.db2.gz JHKBJRBQOBQRQG-BBWFWOEESA-N 0 3 362.857 3.084 20 30 FGEDHN N#CC(C(=O)COCC1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835064016 729854772 /nfs/dbraw/zinc/85/47/72/729854772.db2.gz AESSVUSCWKLXBM-CYBMUJFWSA-N 0 3 352.793 3.333 20 30 FGEDHN N#CC(C(=O)CCCC(=O)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835064018 729854810 /nfs/dbraw/zinc/85/48/10/729854810.db2.gz AGQZBCHGVZYNRT-GFCCVEGCSA-N 0 3 350.777 3.276 20 30 FGEDHN C#Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000837356536 730021146 /nfs/dbraw/zinc/02/11/46/730021146.db2.gz FIHFRZSBUUQLQL-SFHVURJKSA-N 0 3 353.491 3.366 20 30 FGEDHN C#Cc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000837356617 730021211 /nfs/dbraw/zinc/02/12/11/730021211.db2.gz GYMHFZPFPPOKCT-GOSISDBHSA-N 0 3 353.491 3.366 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H](CC(C)C)OC ZINC000842288059 730480634 /nfs/dbraw/zinc/48/06/34/730480634.db2.gz GOHQDHNXQMOPCN-MLGOLLRUSA-N 0 3 366.845 3.366 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cn2c(n1)CCC2 ZINC000842685572 730530929 /nfs/dbraw/zinc/53/09/29/730530929.db2.gz VQQXAUTWGITGAD-JTQLQIEISA-N 0 3 363.204 3.097 20 30 FGEDHN COCCN(C(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000844356103 730706752 /nfs/dbraw/zinc/70/67/52/730706752.db2.gz RAUMMJXWZRZDHV-DOTOQJQBSA-N 0 3 351.491 3.027 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1ccnc1 ZINC000845442560 730850330 /nfs/dbraw/zinc/85/03/30/730850330.db2.gz MREKNXAADJMQSN-CMPLNLGQSA-N 0 3 365.220 3.489 20 30 FGEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)C1CC2(CC2(F)F)C1 ZINC000850976757 731408412 /nfs/dbraw/zinc/40/84/12/731408412.db2.gz IDVLYWZTZPJCPC-RYCVTPFZSA-N 0 3 352.768 3.100 20 30 FGEDHN COc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000854387240 731823101 /nfs/dbraw/zinc/82/31/01/731823101.db2.gz WJQGWZFUXOCGBX-KRWDZBQOSA-N 0 3 357.841 3.253 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2F)N(C)C)cc1 ZINC000854671153 731851774 /nfs/dbraw/zinc/85/17/74/731851774.db2.gz CUDSSHHAHJRHCX-GOSISDBHSA-N 0 3 357.454 3.452 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CCCN(C(=O)OC)C2)cc1OC ZINC000858122231 732182865 /nfs/dbraw/zinc/18/28/65/732182865.db2.gz FCVWUADYDPNHDG-CQSZACIVSA-N 0 3 368.861 3.234 20 30 FGEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000870158194 733817579 /nfs/dbraw/zinc/81/75/79/733817579.db2.gz DSMMYWPAPXVJMR-WDEREUQCSA-N 0 3 369.368 3.406 20 30 FGEDHN N#Cc1ccc2[nH]c(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000871071661 733912457 /nfs/dbraw/zinc/91/24/57/733912457.db2.gz DMCOUBXZPYOKLE-GHMZBOCLSA-N 0 3 352.316 3.121 20 30 FGEDHN N#Cc1ccc2[nH]c(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000871071674 733912566 /nfs/dbraw/zinc/91/25/66/733912566.db2.gz DMCOUBXZPYOKLE-MNOVXSKESA-N 0 3 352.316 3.121 20 30 FGEDHN COC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Br)c1 ZINC000872236266 735606563 /nfs/dbraw/zinc/60/65/63/735606563.db2.gz LODHQFOHKRCQMC-HUUCEWRRSA-N 0 3 355.276 3.027 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C ZINC000876581889 736116730 /nfs/dbraw/zinc/11/67/30/736116730.db2.gz GTSBUKBJXSLUEX-MRXNPFEDSA-N 0 3 363.889 3.466 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000876645075 736126172 /nfs/dbraw/zinc/12/61/72/736126172.db2.gz KOFGPQRCPTVQPG-LSDHHAIUSA-N 0 3 360.845 3.260 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000876660182 736127854 /nfs/dbraw/zinc/12/78/54/736127854.db2.gz PDHNPBGTYJIETD-HNNXBMFYSA-N 0 3 352.862 3.103 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000876695621 736132762 /nfs/dbraw/zinc/13/27/62/736132762.db2.gz CUNCKOYYIGWMQV-NOZJJQNGSA-N 0 3 363.658 3.105 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000876704173 736134531 /nfs/dbraw/zinc/13/45/31/736134531.db2.gz VAPACBGGFPGFKR-IRXDYDNUSA-N 0 3 364.898 3.280 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnn(-c2ccccc2Cl)c1CC ZINC000876909739 736161230 /nfs/dbraw/zinc/16/12/30/736161230.db2.gz GSUPDUQVLAKKQY-GFCCVEGCSA-N 0 3 353.253 3.497 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000876905548 736161352 /nfs/dbraw/zinc/16/13/52/736161352.db2.gz ISUDAWRAPUQBCB-GXSJLCMTSA-N 0 3 372.721 3.478 20 30 FGEDHN N#Cc1cnc(Cl)c(CNCCCCn2cc(Br)cn2)c1 ZINC000877486726 736226858 /nfs/dbraw/zinc/22/68/58/736226858.db2.gz MFVSOFMQBPQGMX-UHFFFAOYSA-N 0 3 368.666 3.136 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)CC1 ZINC000880435265 737173617 /nfs/dbraw/zinc/17/36/17/737173617.db2.gz MPFCVOMIFJHVHD-UHFFFAOYSA-N 0 3 355.360 3.204 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000880930388 737262313 /nfs/dbraw/zinc/26/23/13/737262313.db2.gz VUFJHEHBHSRQOX-HNNXBMFYSA-N 0 3 356.392 3.143 20 30 FGEDHN C=CCCC[C@H](NCCS(=O)(=O)C1CCOCC1)c1ccccc1 ZINC000883227087 737538372 /nfs/dbraw/zinc/53/83/72/737538372.db2.gz LCTNDKGDNHIMPW-IBGZPJMESA-N 0 3 351.512 3.267 20 30 FGEDHN Cc1ccc(-c2csc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)n2)cc1 ZINC000884048528 737628133 /nfs/dbraw/zinc/62/81/33/737628133.db2.gz NNWJVLBWRGQGGE-HVEKOLDVSA-N 0 3 352.463 3.196 20 30 FGEDHN CCc1cc(Br)ccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884084956 737631939 /nfs/dbraw/zinc/63/19/39/737631939.db2.gz HCYHKUVSYOGGJG-JZLYGMAVSA-N 0 3 362.271 3.089 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3c(Cl)cc(Cl)cc3C1)C2 ZINC000884321741 737655474 /nfs/dbraw/zinc/65/54/74/737655474.db2.gz XHWNDNXBKFTRKR-YNAXMUEKSA-N 0 3 364.276 3.017 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000884463453 737665810 /nfs/dbraw/zinc/66/58/10/737665810.db2.gz HPTOUWRFHDREKN-BGMSHATGSA-N 0 3 371.790 3.114 20 30 FGEDHN C#CCN(C(=O)c1ccc(Br)c(C)c1F)C1CCN(C)CC1 ZINC000886577299 739271531 /nfs/dbraw/zinc/27/15/31/739271531.db2.gz CSXXXTFQSBTIOT-UHFFFAOYSA-N 0 3 367.262 3.066 20 30 FGEDHN C=CCC1(O)CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000886757618 739292178 /nfs/dbraw/zinc/29/21/78/739292178.db2.gz MGYCJVMWUPUFKT-AWEZNQCLSA-N 0 3 360.281 3.136 20 30 FGEDHN C[C@H]1CC[C@H](c2nc(CC(=O)C(C#N)C(=O)N3CCCC3)cs2)CC1 ZINC000892457718 740002619 /nfs/dbraw/zinc/00/26/19/740002619.db2.gz MPDSZYFTBGBBMP-DZKIICNBSA-N 0 3 359.495 3.311 20 30 FGEDHN C#CCSCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000892485108 740005397 /nfs/dbraw/zinc/00/53/97/740005397.db2.gz UXHMUBXWMSHPTC-LBPRGKRZSA-N 0 3 354.403 3.015 20 30 FGEDHN C#C[C@@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000894869636 742344852 /nfs/dbraw/zinc/34/48/52/742344852.db2.gz ATEMYXMZUSPZPD-IAGOWNOFSA-N 0 3 364.283 3.441 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC/C=C(\C)COC ZINC000901425991 743276681 /nfs/dbraw/zinc/27/66/81/743276681.db2.gz YJMJEFRNITZQCA-CXUHLZMHSA-N 0 3 350.532 3.177 20 30 FGEDHN C[C@@H](NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C#N)ccn1 ZINC000902782691 743774985 /nfs/dbraw/zinc/77/49/85/743774985.db2.gz MUCVIALYHLTQPQ-BDJLRTHQSA-N 0 3 351.328 3.236 20 30 FGEDHN C[C@@H](NC[C@H]1CSCCN1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902972130 743794621 /nfs/dbraw/zinc/79/46/21/743794621.db2.gz ABKONHJWQDHBEB-APWZRJJASA-N 0 3 352.507 3.221 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cnc(CC)o1 ZINC000916409414 758079765 /nfs/dbraw/zinc/07/97/65/758079765.db2.gz IFHFQIRPMWRDFA-UHFFFAOYSA-N 0 3 361.515 3.335 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000916878499 758150011 /nfs/dbraw/zinc/15/00/11/758150011.db2.gz YWQVPRLQACPHRI-ZFWWWQNUSA-N 0 3 350.846 3.431 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCOCC(C)C ZINC000916900628 758152887 /nfs/dbraw/zinc/15/28/87/758152887.db2.gz QVJYRXDTELBLGU-CYBMUJFWSA-N 0 3 366.845 3.367 20 30 FGEDHN COc1cccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000916909994 758153925 /nfs/dbraw/zinc/15/39/25/758153925.db2.gz MRBUOYSGGDWLDW-AWEZNQCLSA-N 0 3 358.781 3.075 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000916917340 758153971 /nfs/dbraw/zinc/15/39/71/758153971.db2.gz IVBCFTUQSIXRNG-LBPRGKRZSA-N 0 3 355.221 3.163 20 30 FGEDHN Cc1ncc2c(n1)CC[C@@H](NCc1cc(C#N)ccc1Br)C2 ZINC000921524679 758734887 /nfs/dbraw/zinc/73/48/87/758734887.db2.gz GLRMWJYFBBSAIR-OAHLLOKOSA-N 0 3 357.255 3.066 20 30 FGEDHN N#Cc1cc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)cs1 ZINC000922175982 758864027 /nfs/dbraw/zinc/86/40/27/758864027.db2.gz ZJHANAQDHYZVGQ-UHFFFAOYSA-N 0 3 354.479 3.057 20 30 FGEDHN C[C@@H](CC(C)(C)C#N)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000925626096 759513508 /nfs/dbraw/zinc/51/35/08/759513508.db2.gz OBEDUMSOEODBHT-INIZCTEOSA-N 0 3 363.527 3.030 20 30 FGEDHN N#CCCc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000928400755 760184950 /nfs/dbraw/zinc/18/49/50/760184950.db2.gz HDZZGHUCKFYGGQ-HUUCEWRRSA-N 0 3 356.344 3.065 20 30 FGEDHN Cc1cc(C#N)cc(C)c1CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000929227549 760342281 /nfs/dbraw/zinc/34/22/81/760342281.db2.gz HVTLYIYJVICMSW-OAHLLOKOSA-N 0 3 357.479 3.016 20 30 FGEDHN CC[C@H](NCc1c(C)cc(C#N)cc1C)c1cccc(S(N)(=O)=O)c1 ZINC000930216589 760556037 /nfs/dbraw/zinc/55/60/37/760556037.db2.gz LHWLEPZNMSZAHR-IBGZPJMESA-N 0 3 357.479 3.063 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917426 761005199 /nfs/dbraw/zinc/00/51/99/761005199.db2.gz YWEXYMBRJPAZJT-OAHLLOKOSA-N 0 3 358.335 3.312 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000932144406 761067812 /nfs/dbraw/zinc/06/78/12/761067812.db2.gz QPQNABHYXQENPY-UHFFFAOYSA-N 0 3 359.214 3.108 20 30 FGEDHN N#CC1(CCN2CCC(S(=O)(=O)N3CCCCC3)CC2)CCCCC1 ZINC000933089190 761315288 /nfs/dbraw/zinc/31/52/88/761315288.db2.gz YQHJYDFZSAWLTR-UHFFFAOYSA-N 0 3 367.559 3.131 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(Cl)c1 ZINC000960884444 762741072 /nfs/dbraw/zinc/74/10/72/762741072.db2.gz PXEKGFHYUWWIOR-QRVBRYPASA-N 0 3 362.901 3.354 20 30 FGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001004489506 765434102 /nfs/dbraw/zinc/43/41/02/765434102.db2.gz MEZPBNVUTTVUIP-CADBVGFASA-N 0 3 366.933 3.257 20 30 FGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001004495745 765435169 /nfs/dbraw/zinc/43/51/69/765435169.db2.gz VWDOWOYUHOPPKR-SQNIBIBYSA-N 0 3 354.922 3.257 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(Cc2cc(C)sc2C)CC1 ZINC001006022003 765499833 /nfs/dbraw/zinc/49/98/33/765499833.db2.gz KSTJBTPRSAFXJC-MOPGFXCFSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001015819493 765807846 /nfs/dbraw/zinc/80/78/46/765807846.db2.gz JEUPNKFJAFYLAD-FHWLQOOXSA-N 0 3 362.539 3.243 20 30 FGEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001023550564 766039844 /nfs/dbraw/zinc/03/98/44/766039844.db2.gz GERFLRGPNRZDAU-RRFJBIMHSA-N 0 3 350.915 3.357 20 30 FGEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC001040263229 766301853 /nfs/dbraw/zinc/30/18/53/766301853.db2.gz CPZVLPNTPAOLOV-SOLBZPMBSA-N 0 3 356.432 3.303 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccsc1 ZINC001049485359 766788012 /nfs/dbraw/zinc/78/80/12/766788012.db2.gz MVUWRPPSJFDPHG-HCXYKTFWSA-N 0 3 360.523 3.295 20 30 FGEDHN CN(C)CCOc1ccccc1CNc1nc2cc(Cl)ccn2c1C#N ZINC000576752222 505585596 /nfs/dbraw/zinc/58/55/96/505585596.db2.gz SKOIFQQHXBCTAB-UHFFFAOYSA-N 0 3 369.856 3.412 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2C[C@@H](O)C2(C)C)c1C#N ZINC000576766588 505590028 /nfs/dbraw/zinc/59/00/28/505590028.db2.gz ZTKVSSMRWOOMNR-ZWKOTPCHSA-N 0 3 372.513 3.169 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000570830837 505590651 /nfs/dbraw/zinc/59/06/51/505590651.db2.gz QPXBFVGUFJVAMM-GFCCVEGCSA-N 0 3 374.322 3.399 20 30 FGEDHN CC(C)(C)OCc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000579703165 505604460 /nfs/dbraw/zinc/60/44/60/505604460.db2.gz CIDBQPNFYUGXGQ-FQEVSTJZSA-N 0 3 368.477 3.403 20 30 FGEDHN CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000576844039 505607723 /nfs/dbraw/zinc/60/77/23/505607723.db2.gz QIWDIRLYKNNKPG-LJQANCHMSA-N 0 3 351.425 3.434 20 30 FGEDHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000579957401 505653445 /nfs/dbraw/zinc/65/34/45/505653445.db2.gz AUVTYHAQSPZVOM-BBRMVZONSA-N 0 3 363.527 3.214 20 30 FGEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)c2ccc(Br)cc21 ZINC000602553391 507748178 /nfs/dbraw/zinc/74/81/78/507748178.db2.gz BXBQGUPGLDJHGE-ZDUSSCGKSA-N 0 3 350.260 3.094 20 30 FGEDHN CSCc1cc(F)ccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000574032654 505677347 /nfs/dbraw/zinc/67/73/47/505677347.db2.gz NEYFLVMSNDYLLN-GOSISDBHSA-N 0 3 360.454 3.090 20 30 FGEDHN CN(CCC#N)c1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000028315217 493784674 /nfs/dbraw/zinc/78/46/74/493784674.db2.gz XRRQHGODNMORDG-UHFFFAOYSA-N 0 3 362.477 3.453 20 30 FGEDHN CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C(C)C ZINC000577190591 505683273 /nfs/dbraw/zinc/68/32/73/505683273.db2.gz UXIBCCGICXVEPF-UHFFFAOYSA-N 0 3 352.486 3.005 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@](C)(CO)C(C)C)c1C#N ZINC000580131441 505683559 /nfs/dbraw/zinc/68/35/59/505683559.db2.gz PXMMRFSDKURKIO-FQEVSTJZSA-N 0 3 360.502 3.027 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000069047648 493912501 /nfs/dbraw/zinc/91/25/01/493912501.db2.gz XPNVSOWWPHHIQV-LJQANCHMSA-N 0 3 357.498 3.294 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)CC1 ZINC000081687339 493942909 /nfs/dbraw/zinc/94/29/09/493942909.db2.gz DLRZXEVRCCVMLQ-UHFFFAOYSA-N 0 3 372.494 3.147 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000580157325 505690642 /nfs/dbraw/zinc/69/06/42/505690642.db2.gz RFFATXKTOFKQBH-AQNXPRMDSA-N 0 3 358.482 3.072 20 30 FGEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000051406791 493967696 /nfs/dbraw/zinc/96/76/96/493967696.db2.gz FJJAPOIVQZVXRV-KRWDZBQOSA-N 0 3 364.367 3.449 20 30 FGEDHN N#CC(C(=O)c1ccc(C(N)=O)cc1)c1nc2ccccc2n1C(F)F ZINC000051655575 493981160 /nfs/dbraw/zinc/98/11/60/493981160.db2.gz SGNLDBBPUDYWLO-GFCCVEGCSA-N 0 3 354.316 3.020 20 30 FGEDHN N#CC(C(=O)c1ccc(C(N)=O)cc1)c1nc2ccccc2n1C(F)F ZINC000051655574 493981586 /nfs/dbraw/zinc/98/15/86/493981586.db2.gz SGNLDBBPUDYWLO-LBPRGKRZSA-N 0 3 354.316 3.020 20 30 FGEDHN COc1cc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)ccc1SC ZINC000069687673 493997304 /nfs/dbraw/zinc/99/73/04/493997304.db2.gz IZLQTWZYWVLNDA-KRWDZBQOSA-N 0 3 372.490 3.160 20 30 FGEDHN CN(c1ccc(NC(=O)c2cc(C#N)cs2)cc1)C1CCN(C)CC1 ZINC000084084876 494046905 /nfs/dbraw/zinc/04/69/05/494046905.db2.gz KDGMVQCSHYCNBZ-UHFFFAOYSA-N 0 3 354.479 3.402 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1sccc1C#N ZINC000077371666 494068861 /nfs/dbraw/zinc/06/88/61/494068861.db2.gz POWQHEYTQDPYEA-INIZCTEOSA-N 0 3 368.506 3.155 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000077442304 494083867 /nfs/dbraw/zinc/08/38/67/494083867.db2.gz BDHFVFNUQWOMRZ-UHFFFAOYSA-N 0 3 373.497 3.218 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000053398802 494125941 /nfs/dbraw/zinc/12/59/41/494125941.db2.gz JLXBXFPXFWDRJM-GHTZIAJQSA-N 0 3 352.434 3.144 20 30 FGEDHN CCCCNC(=O)C1(NCCOc2ccc(C#N)cc2OC)CCCCC1 ZINC000085907074 494141164 /nfs/dbraw/zinc/14/11/64/494141164.db2.gz DUJXDUAEXSTUNZ-UHFFFAOYSA-N 0 3 373.497 3.154 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1cccc(F)c1 ZINC000065930613 494257288 /nfs/dbraw/zinc/25/72/88/494257288.db2.gz SYLJJPSOCCNOLX-UHFFFAOYSA-N 0 3 369.440 3.057 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1ccc2ccccc21 ZINC000065931035 494257363 /nfs/dbraw/zinc/25/73/63/494257363.db2.gz YVQANNHISYWEMR-UHFFFAOYSA-N 0 3 374.488 3.493 20 30 FGEDHN C[C@@H](CCc1ccco1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000043725304 494314748 /nfs/dbraw/zinc/31/47/48/494314748.db2.gz UFUFIHUDFKMJHG-KRWDZBQOSA-N 0 3 368.481 3.246 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccsc1 ZINC000089737960 494351698 /nfs/dbraw/zinc/35/16/98/494351698.db2.gz JPWBAWYVEQCOOQ-LJQANCHMSA-N 0 3 371.506 3.392 20 30 FGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCN1CCCC1 ZINC000089898760 494395953 /nfs/dbraw/zinc/39/59/53/494395953.db2.gz RVLMHGONGVNVPN-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nc(C)c(C)s1)C(C)C ZINC000073710543 494416373 /nfs/dbraw/zinc/41/63/73/494416373.db2.gz KQNMTRKRJVLZHA-MRXNPFEDSA-N 0 3 350.532 3.258 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000079304139 494432826 /nfs/dbraw/zinc/43/28/26/494432826.db2.gz UKKLUVMNIQCAHL-HZPDHXFCSA-N 0 3 370.497 3.210 20 30 FGEDHN COc1cc([C@H](C)NCCOc2ccc(C#N)cc2)cc(OC)c1OC ZINC000090107676 494443300 /nfs/dbraw/zinc/44/33/00/494443300.db2.gz YAZTVWWJAFJWNX-AWEZNQCLSA-N 0 3 356.422 3.314 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)CCC(=O)Nc1cccc(F)c1 ZINC000577419294 505723825 /nfs/dbraw/zinc/72/38/25/505723825.db2.gz RHJODWORUPESGV-UHFFFAOYSA-N 0 3 355.413 3.175 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN(C)Cc2ccc(F)cc2)c(OC)c1 ZINC000046342794 494518479 /nfs/dbraw/zinc/51/84/79/494518479.db2.gz ARPKFFMCPKEOLQ-LJQANCHMSA-N 0 3 359.441 3.435 20 30 FGEDHN CN1CCC[C@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091218989 494564536 /nfs/dbraw/zinc/56/45/36/494564536.db2.gz SFFJHQURKFDIQH-GOSISDBHSA-N 0 3 362.477 3.366 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000046835897 494572923 /nfs/dbraw/zinc/57/29/23/494572923.db2.gz NVINILTZANZXTK-HXUWFJFHSA-N 0 3 366.461 3.167 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1ccc2c(c1)OCO2)C(C)C ZINC000046906154 494583019 /nfs/dbraw/zinc/58/30/19/494583019.db2.gz PJNTYITYHTVXPF-SFHVURJKSA-N 0 3 373.497 3.255 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccccc2n1 ZINC000047010678 494617324 /nfs/dbraw/zinc/61/73/24/494617324.db2.gz LNFJEIYYQMKSRA-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cnc2ccccc2c1 ZINC000131437892 494619233 /nfs/dbraw/zinc/61/92/33/494619233.db2.gz FTKAFCSULLLYLB-UHFFFAOYSA-N 0 3 372.472 3.239 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000080211011 494641294 /nfs/dbraw/zinc/64/12/94/494641294.db2.gz AMQYMASJUICVDH-NRFANRHFSA-N 0 3 365.477 3.340 20 30 FGEDHN COCc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000121265655 494674817 /nfs/dbraw/zinc/67/48/17/494674817.db2.gz MKOXEKIYQNBGOZ-UHFFFAOYSA-N 0 3 366.465 3.300 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000126238276 494683022 /nfs/dbraw/zinc/68/30/22/494683022.db2.gz QNLVJCKVUVCWOG-UHFFFAOYSA-N 0 3 354.429 3.487 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NCCN2CCC(C)CC2)c1C#N ZINC000057213384 494683353 /nfs/dbraw/zinc/68/33/53/494683353.db2.gz DSDGDMRTKKYHMZ-UHFFFAOYSA-N 0 3 358.511 3.014 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](N2CCCCC2)C1 ZINC000108380407 494692811 /nfs/dbraw/zinc/69/28/11/494692811.db2.gz NOKNAAIDRCNESK-FPOVZHCZSA-N 0 3 368.525 3.272 20 30 FGEDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092010918 494754783 /nfs/dbraw/zinc/75/47/83/494754783.db2.gz GNRBMAISTMGSNU-AZUAARDMSA-N 0 3 368.481 3.048 20 30 FGEDHN C=CCc1cc(CN2CCC(CC(=O)N3CCCC3)CC2)cc(OC)c1O ZINC000092056066 494771189 /nfs/dbraw/zinc/77/11/89/494771189.db2.gz DVXAUCGODBYCES-UHFFFAOYSA-N 0 3 372.509 3.354 20 30 FGEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)s1 ZINC000132047282 494806545 /nfs/dbraw/zinc/80/65/45/494806545.db2.gz DEOXXXPMTDUTQC-UHFFFAOYSA-N 0 3 362.474 3.084 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)cc2)CC1 ZINC000116804701 494854828 /nfs/dbraw/zinc/85/48/28/494854828.db2.gz MOJMATLFAAZENJ-AVRDEDQJSA-N 0 3 368.525 3.419 20 30 FGEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000109392052 494868794 /nfs/dbraw/zinc/86/87/94/494868794.db2.gz NRIDZVOYFYYHQZ-CZTZKLFOSA-N 0 3 370.541 3.198 20 30 FGEDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(OCCCC#N)c1)CC2 ZINC000093613560 494905241 /nfs/dbraw/zinc/90/52/41/494905241.db2.gz CUDYCHPWISAECJ-UXHICEINSA-N 0 3 358.482 3.121 20 30 FGEDHN Cn1ccnc1[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000127673758 494979063 /nfs/dbraw/zinc/97/90/63/494979063.db2.gz ADGZGCNBYYNVFZ-LPHOPBHVSA-N 0 3 353.445 3.141 20 30 FGEDHN CSCC[C@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000133272310 494993086 /nfs/dbraw/zinc/99/30/86/494993086.db2.gz NYKLUBPXNBQLFE-LJQANCHMSA-N 0 3 356.491 3.341 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](Cc1ccccc1)c1sccc1C ZINC000122757286 495026677 /nfs/dbraw/zinc/02/66/77/495026677.db2.gz RRDJJQWMPZQGHE-DOTOQJQBSA-N 0 3 371.506 3.330 20 30 FGEDHN COC(=O)c1ccccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122798806 495032756 /nfs/dbraw/zinc/03/27/56/495032756.db2.gz FHXYQRUTDUPIKJ-UHFFFAOYSA-N 0 3 363.461 3.053 20 30 FGEDHN Cc1ccn2c(CN3CCCN(Cc4ccc(C#N)cc4)CC3)cnc2c1 ZINC000122815707 495035271 /nfs/dbraw/zinc/03/52/71/495035271.db2.gz LGTBSEZFEHOMGQ-UHFFFAOYSA-N 0 3 359.477 3.222 20 30 FGEDHN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CCCN(C)C1 ZINC000118842700 495046661 /nfs/dbraw/zinc/04/66/61/495046661.db2.gz PTUNWQBJZFBLRO-KRWDZBQOSA-N 0 3 352.482 3.011 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)NCC1(c2ccccc2C)CCOCC1 ZINC000098123394 495059636 /nfs/dbraw/zinc/05/96/36/495059636.db2.gz NUYKPBJZJPRCCX-LJQANCHMSA-N 0 3 356.510 3.222 20 30 FGEDHN COc1c(C)cc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1C ZINC000101566284 495079508 /nfs/dbraw/zinc/07/95/08/495079508.db2.gz BCFVARBINAVWHY-LJQANCHMSA-N 0 3 354.450 3.055 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2cccnc2)on1)C(C)C ZINC000101684487 495091381 /nfs/dbraw/zinc/09/13/81/495091381.db2.gz BQGCFTLTPKRWCW-GOSISDBHSA-N 0 3 354.454 3.165 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1csc([C@H]2CCCO2)n1)C(C)C ZINC000134166851 495116444 /nfs/dbraw/zinc/11/64/44/495116444.db2.gz CLKGMSPLZJBFOI-IAGOWNOFSA-N 0 3 363.527 3.423 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000568728957 505763830 /nfs/dbraw/zinc/76/38/30/505763830.db2.gz MWCDGXMRWYGKOW-UHFFFAOYSA-N 0 3 355.413 3.358 20 30 FGEDHN N#Cc1ccc(CCC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000112186577 495152211 /nfs/dbraw/zinc/15/22/11/495152211.db2.gz MDYZJSSEXCWAJQ-UHFFFAOYSA-N 0 3 371.550 3.359 20 30 FGEDHN CN(CC1CCN(C)CC1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000103450832 495234184 /nfs/dbraw/zinc/23/41/84/495234184.db2.gz KIWWGZLDVSUEGL-UHFFFAOYSA-N 0 3 367.449 3.144 20 30 FGEDHN COc1ccc(CN2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N ZINC000135130932 495254236 /nfs/dbraw/zinc/25/42/36/495254236.db2.gz CFOFMDUETHYTPI-QZTJIDSGSA-N 0 3 371.525 3.278 20 30 FGEDHN N#CCCn1cc(CN2CCC(C3OCCO3)CC2)c(-c2ccccc2)n1 ZINC000130053032 495334359 /nfs/dbraw/zinc/33/43/59/495334359.db2.gz JVPJMSISYVXBOU-UHFFFAOYSA-N 0 3 366.465 3.049 20 30 FGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C[C@H]2CCOC2)[n+]2ccccc2)cc1C ZINC000136486870 495383303 /nfs/dbraw/zinc/38/33/03/495383303.db2.gz CYWVQERQDIBCLW-QGZVFWFLSA-O 0 3 369.510 3.156 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000130511509 495403731 /nfs/dbraw/zinc/40/37/31/495403731.db2.gz ZXUQSDYQKIWZKX-UHFFFAOYSA-N 0 3 352.482 3.276 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCOc2ccccc2C)CC1 ZINC000106276127 495441514 /nfs/dbraw/zinc/44/15/14/495441514.db2.gz VBHZKJVGKKAKQK-UHFFFAOYSA-N 0 3 359.514 3.446 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3cccc(C)c23)CC1 ZINC000106274950 495441913 /nfs/dbraw/zinc/44/19/13/495441913.db2.gz UDFHEKBSPRPNOY-UHFFFAOYSA-N 0 3 354.498 3.359 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)CC1 ZINC000106274942 495442069 /nfs/dbraw/zinc/44/20/69/495442069.db2.gz ZYCFBQBCFLZXOS-PXNSSMCTSA-N 0 3 357.498 3.199 20 30 FGEDHN COC(=O)COc1c(C)cc(CN(C)Cc2cccc(C#N)c2)cc1C ZINC000130790208 495445821 /nfs/dbraw/zinc/44/58/21/495445821.db2.gz ONFVVEULHBTZBR-UHFFFAOYSA-N 0 3 352.434 3.359 20 30 FGEDHN CN(C)[C@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115359174 495494740 /nfs/dbraw/zinc/49/47/40/495494740.db2.gz SLSCIRFPLCABBA-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@H](C3OCCO3)C2)c(-c2ccccc2)n1 ZINC000179366899 495563400 /nfs/dbraw/zinc/56/34/00/495563400.db2.gz VFAISOXQTBVGGI-SFHVURJKSA-N 0 3 366.465 3.049 20 30 FGEDHN COc1ccc(CNC[C@H](O)c2ccccc2OC)cc1OCCCC#N ZINC000147180368 495573568 /nfs/dbraw/zinc/57/35/68/495573568.db2.gz KVJPPQQCKHTAFV-SFHVURJKSA-N 0 3 370.449 3.210 20 30 FGEDHN CO[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000170820568 495614401 /nfs/dbraw/zinc/61/44/01/495614401.db2.gz FFMQLOCFMKTPBX-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000176394472 495635330 /nfs/dbraw/zinc/63/53/30/495635330.db2.gz HBJVDEYNWQKCAU-IRXDYDNUSA-N 0 3 370.497 3.301 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)c(C#N)c1C ZINC000185635002 495655999 /nfs/dbraw/zinc/65/59/99/495655999.db2.gz AACWJAWFKJEYQA-MLGOLLRUSA-N 0 3 355.463 3.329 20 30 FGEDHN CC(C)(CNC(=O)CCCC(=O)Nc1ccccc1C#N)N1CCCCC1 ZINC000154587093 495663004 /nfs/dbraw/zinc/66/30/04/495663004.db2.gz WUKBIVRZKRCZCB-UHFFFAOYSA-N 0 3 370.497 3.048 20 30 FGEDHN C=CCC[C@H](NC(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000159116565 495663414 /nfs/dbraw/zinc/66/34/14/495663414.db2.gz NZEIYADAGXJINL-CTNGQTDRSA-N 0 3 372.557 3.267 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(F)cccc2Br)CC1 ZINC000176523358 495681803 /nfs/dbraw/zinc/68/18/03/495681803.db2.gz NPTGAQBPZMLGPZ-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000151062395 495728225 /nfs/dbraw/zinc/72/82/25/495728225.db2.gz WIDFDUDGOUVKTL-SFHVURJKSA-N 0 3 350.462 3.386 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000171296243 495809413 /nfs/dbraw/zinc/80/94/13/495809413.db2.gz YXJWILVVLSFSOF-UHFFFAOYSA-N 0 3 362.477 3.494 20 30 FGEDHN C=CCC[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000180039982 495834447 /nfs/dbraw/zinc/83/44/47/495834447.db2.gz JLEKOAGREYWFCK-PMACEKPBSA-N 0 3 359.491 3.421 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000183148830 495855089 /nfs/dbraw/zinc/85/50/89/495855089.db2.gz RACREHOYDVTCED-HNNXBMFYSA-N 0 3 359.433 3.342 20 30 FGEDHN Cc1ncc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)n1 ZINC000160152372 495896869 /nfs/dbraw/zinc/89/68/69/495896869.db2.gz DTQDCUHPPFVLDB-RHSMWYFYSA-N 0 3 353.445 3.424 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000160220579 495912841 /nfs/dbraw/zinc/91/28/41/495912841.db2.gz IDZRLERYNVYGKK-DYESRHJHSA-N 0 3 362.477 3.363 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)CC1 ZINC000180287098 495937192 /nfs/dbraw/zinc/93/71/92/495937192.db2.gz GNIVFQUCGHNMDD-UHFFFAOYSA-N 0 3 372.509 3.282 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)CC1 ZINC000171714386 496002666 /nfs/dbraw/zinc/00/26/66/496002666.db2.gz GXYUQHFVHWATCR-UHFFFAOYSA-N 0 3 364.493 3.050 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000171717497 496005126 /nfs/dbraw/zinc/00/51/26/496005126.db2.gz BQPNSGRFOSTRJC-IAGOWNOFSA-N 0 3 363.299 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000171720416 496005433 /nfs/dbraw/zinc/00/54/33/496005433.db2.gz ZDCIPVCYDHIWFU-UHFFFAOYSA-N 0 3 354.429 3.345 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000171720214 496005926 /nfs/dbraw/zinc/00/59/26/496005926.db2.gz RXOPHJJPEWPWFS-UHFFFAOYSA-N 0 3 363.299 3.247 20 30 FGEDHN COc1ccc(CNCCOc2ccc(C#N)cc2)cc1Br ZINC000174558764 496010046 /nfs/dbraw/zinc/01/00/46/496010046.db2.gz TYCRUVJZGSDRJC-UHFFFAOYSA-N 0 3 361.239 3.498 20 30 FGEDHN Cn1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cc21 ZINC000183503916 496012923 /nfs/dbraw/zinc/01/29/23/496012923.db2.gz PFSNBEPDWDIGFC-LLVKDONJSA-N 0 3 366.331 3.203 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000171740937 496015946 /nfs/dbraw/zinc/01/59/46/496015946.db2.gz ZGCQIBKFGKAQBC-UHFFFAOYSA-N 0 3 357.498 3.028 20 30 FGEDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(OCC#N)cc1 ZINC000180557265 496044434 /nfs/dbraw/zinc/04/44/34/496044434.db2.gz RMSTYVOGKUYGBH-AWEZNQCLSA-N 0 3 368.393 3.004 20 30 FGEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177391450 496044518 /nfs/dbraw/zinc/04/45/18/496044518.db2.gz WBQDFLNQRPRUTB-HUUCEWRRSA-N 0 3 357.479 3.220 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000183669381 496070558 /nfs/dbraw/zinc/07/05/58/496070558.db2.gz ISWMXIBSKZTART-WMLDXEAASA-N 0 3 363.527 3.264 20 30 FGEDHN CC[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000180633884 496078908 /nfs/dbraw/zinc/07/89/08/496078908.db2.gz LIWVHANXDNCULP-GOSISDBHSA-N 0 3 365.433 3.399 20 30 FGEDHN CC(C)[C@@H](C)NC(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000155925821 496108201 /nfs/dbraw/zinc/10/82/01/496108201.db2.gz CPNPIKVYCXHMHL-QGZVFWFLSA-N 0 3 357.498 3.200 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nc(SC)ncc1Cl)C(C)C ZINC000171980466 496116131 /nfs/dbraw/zinc/11/61/31/496116131.db2.gz IAWPSHYDQILANF-AWEZNQCLSA-N 0 3 368.934 3.280 20 30 FGEDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000186713788 496118438 /nfs/dbraw/zinc/11/84/38/496118438.db2.gz JNZGQTQBAYMGQT-GOSISDBHSA-N 0 3 365.499 3.133 20 30 FGEDHN N#Cc1csc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000177690362 496160202 /nfs/dbraw/zinc/16/02/02/496160202.db2.gz AJIIUSJFJVPJCX-ZDUSSCGKSA-N 0 3 356.369 3.168 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)[N-][C@H](C)CC)cc1 ZINC000186965163 496232001 /nfs/dbraw/zinc/23/20/01/496232001.db2.gz HFHYOXFHOJCWIE-GFCCVEGCSA-O 0 3 360.503 3.468 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)[nH]1 ZINC000162309364 496333306 /nfs/dbraw/zinc/33/33/06/496333306.db2.gz XVLOOQGXAUAUCH-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181326800 496354608 /nfs/dbraw/zinc/35/46/08/496354608.db2.gz BZTIKNPQBUWFNV-HOTGVXAUSA-N 0 3 359.470 3.107 20 30 FGEDHN N#CCCn1cc(CN2CCc3ccccc3CC2)c(-c2ccncc2)n1 ZINC000578011312 505840896 /nfs/dbraw/zinc/84/08/96/505840896.db2.gz XBLJNQFSTADHAU-UHFFFAOYSA-N 0 3 357.461 3.460 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc(O)c2)c(OC)c1 ZINC000181498116 496421250 /nfs/dbraw/zinc/42/12/50/496421250.db2.gz WXAOMQWSUXJLNH-KXBFYZLASA-N 0 3 357.450 3.220 20 30 FGEDHN C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181583072 496456561 /nfs/dbraw/zinc/45/65/61/496456561.db2.gz LCLKKTLIZYPZER-GOSISDBHSA-N 0 3 365.477 3.120 20 30 FGEDHN C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000181592745 496460203 /nfs/dbraw/zinc/46/02/03/496460203.db2.gz SDXORTUZTXTZJT-KKSFZXQISA-N 0 3 353.441 3.421 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC[C@H](C#N)CCC#N)CC1 ZINC000181628913 496476092 /nfs/dbraw/zinc/47/60/92/496476092.db2.gz UUGWDSATFVPAPQ-SJORKVTESA-N 0 3 357.477 3.062 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000175766597 496535828 /nfs/dbraw/zinc/53/58/28/496535828.db2.gz DCCCVVMWHJMBSV-QZTJIDSGSA-N 0 3 351.535 3.262 20 30 FGEDHN COCCCN(C)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000173122007 496558628 /nfs/dbraw/zinc/55/86/28/496558628.db2.gz ZSIISNGHEDODOE-HNNXBMFYSA-N 0 3 364.515 3.171 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000187766375 496563284 /nfs/dbraw/zinc/56/32/84/496563284.db2.gz XVJFNJOSQFUJMD-RXVVDRJESA-N 0 3 359.514 3.010 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccccc3OC)CCC2)CC1 ZINC000184985927 496611434 /nfs/dbraw/zinc/61/14/34/496611434.db2.gz WFAIQTRWTDMUDU-UHFFFAOYSA-N 0 3 371.525 3.457 20 30 FGEDHN N#CCCCOc1cccc(CN[C@H]2CCN(c3ncccc3F)C2)c1 ZINC000153945373 496631742 /nfs/dbraw/zinc/63/17/42/496631742.db2.gz DVUHSMIIVSPNDQ-KRWDZBQOSA-N 0 3 354.429 3.272 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000187966643 496635256 /nfs/dbraw/zinc/63/52/56/496635256.db2.gz KFGIXJZRTNRVRJ-NRFANRHFSA-N 0 3 359.514 3.304 20 30 FGEDHN COCCCN(C)CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182033133 496643015 /nfs/dbraw/zinc/64/30/15/496643015.db2.gz QDDWLKCCGNGWFS-UHFFFAOYSA-N 0 3 367.449 3.049 20 30 FGEDHN CC(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)N1CCN(C)CC1 ZINC000154043965 496665005 /nfs/dbraw/zinc/66/50/05/496665005.db2.gz IBHJHYCPMNVAPY-QGZVFWFLSA-N 0 3 354.420 3.261 20 30 FGEDHN C[C@@H](CS(=O)(=O)c1ccccc1)NCCSCc1ccccc1C#N ZINC000185169832 496689348 /nfs/dbraw/zinc/68/93/48/496689348.db2.gz ILHBWPDYLGBEKI-INIZCTEOSA-N 0 3 374.531 3.243 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000167248838 496698521 /nfs/dbraw/zinc/69/85/21/496698521.db2.gz WGDDKOCCUFXGBR-SFHVURJKSA-N 0 3 371.525 3.455 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(N(C)c3ccccc3)CC2)CC1 ZINC000176154368 496706508 /nfs/dbraw/zinc/70/65/08/496706508.db2.gz CCBHJACUAAQONX-UHFFFAOYSA-N 0 3 370.541 3.337 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000179217399 496714561 /nfs/dbraw/zinc/71/45/61/496714561.db2.gz WMBSBMIVPIOPPW-UHFFFAOYSA-N 0 3 374.229 3.499 20 30 FGEDHN N#Cc1ccc(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)cc1 ZINC000182291212 496726841 /nfs/dbraw/zinc/72/68/41/496726841.db2.gz UTLYNHNOUFWGQN-UHFFFAOYSA-N 0 3 363.461 3.005 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194937397 496767362 /nfs/dbraw/zinc/76/73/62/496767362.db2.gz SYPGJUMTFKXOHC-MRXNPFEDSA-N 0 3 372.469 3.089 20 30 FGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000191456238 496768601 /nfs/dbraw/zinc/76/86/01/496768601.db2.gz ZWZUFMONAUYXGC-IERDGZPVSA-N 0 3 353.466 3.312 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000188404124 496778162 /nfs/dbraw/zinc/77/81/62/496778162.db2.gz DBXQIVFBPPSNJN-DYESRHJHSA-N 0 3 359.473 3.369 20 30 FGEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000263990183 496781854 /nfs/dbraw/zinc/78/18/54/496781854.db2.gz JNRNSZAKHCTSLD-INIZCTEOSA-N 0 3 362.477 3.406 20 30 FGEDHN COC[C@H](Cc1ccccc1)N(C)CCOc1ccc(C#N)cc1OC ZINC000191512033 496792184 /nfs/dbraw/zinc/79/21/84/496792184.db2.gz GJSIUNAOBPRXID-IBGZPJMESA-N 0 3 354.450 3.135 20 30 FGEDHN COc1cc(CNCCCCC#N)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000264077048 496806406 /nfs/dbraw/zinc/80/64/06/496806406.db2.gz TXFZYESROFQWCA-UHFFFAOYSA-N 0 3 361.320 3.328 20 30 FGEDHN CN(CCNC(=O)Nc1ncccc1OCCCC#N)Cc1ccccc1 ZINC000188778562 496906128 /nfs/dbraw/zinc/90/61/28/496906128.db2.gz AEXWNBLYZZZDFU-UHFFFAOYSA-N 0 3 367.453 3.018 20 30 FGEDHN N#CCOc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000195401677 496913453 /nfs/dbraw/zinc/91/34/53/496913453.db2.gz QXNSTXOBWJCIRG-UHFFFAOYSA-N 0 3 369.490 3.292 20 30 FGEDHN N#CCOc1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000264536785 496922706 /nfs/dbraw/zinc/92/27/06/496922706.db2.gz GKDUWLTVHKTLOE-GOSISDBHSA-N 0 3 365.481 3.286 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264554040 496927726 /nfs/dbraw/zinc/92/77/26/496927726.db2.gz DFVYWCJEWWTOJX-TZIWHRDSSA-N 0 3 368.525 3.190 20 30 FGEDHN Cc1nc(CN2CCC(CNCc3ccc(C#N)cc3F)CC2)oc1C ZINC000269412827 496941476 /nfs/dbraw/zinc/94/14/76/496941476.db2.gz JTJLBQVUAJPVGO-UHFFFAOYSA-N 0 3 356.445 3.304 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192064889 496983386 /nfs/dbraw/zinc/98/33/86/496983386.db2.gz KMFZSKGAEHPBGT-MISYRCLQSA-N 0 3 372.852 3.071 20 30 FGEDHN C#CC[C@@H](NCCCS(=O)(=O)c1ccccc1OC)c1ccccc1 ZINC000274338204 497074266 /nfs/dbraw/zinc/07/42/66/497074266.db2.gz TWVXTHPTPKEFJH-GOSISDBHSA-N 0 3 357.475 3.213 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1OC ZINC000189346138 497089647 /nfs/dbraw/zinc/08/96/47/497089647.db2.gz CSJXKLUXOZQOLP-HUUCEWRRSA-N 0 3 370.287 3.272 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H]3CN3CCCCC3)C2=O)cc1 ZINC000192567923 497152602 /nfs/dbraw/zinc/15/26/02/497152602.db2.gz JXYIYLKUSPMAKP-NHCUHLMSSA-N 0 3 366.509 3.004 20 30 FGEDHN C=C(C)CS(=O)(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000189535374 497154119 /nfs/dbraw/zinc/15/41/19/497154119.db2.gz UUDMRVYKFXTTHQ-IAGOWNOFSA-N 0 3 350.528 3.160 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H](CCCO)c3ccccc3)C2=O)cc1 ZINC000192737266 497199771 /nfs/dbraw/zinc/19/97/71/497199771.db2.gz JNBAMIRIBSWATG-LEWJYISDSA-N 0 3 363.461 3.157 20 30 FGEDHN COc1ccc([C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)cc1 ZINC000192789123 497213969 /nfs/dbraw/zinc/21/39/69/497213969.db2.gz CHXPZLDVLKXTGN-IBGZPJMESA-N 0 3 353.422 3.456 20 30 FGEDHN COc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1OCCCC#N ZINC000271175516 497281647 /nfs/dbraw/zinc/28/16/47/497281647.db2.gz FOCMFCUZLTWAJW-UHFFFAOYSA-N 0 3 354.454 3.480 20 30 FGEDHN COc1ccc([C@H](C)CCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000574982532 505897807 /nfs/dbraw/zinc/89/78/07/505897807.db2.gz AZMJWIPGQLHGIK-MRXNPFEDSA-N 0 3 372.490 3.124 20 30 FGEDHN C#CCOc1ccccc1CNC(=O)Nc1ccccc1CCN(C)C ZINC000275570167 497367020 /nfs/dbraw/zinc/36/70/20/497367020.db2.gz CHNNJUMZGQOIAJ-UHFFFAOYSA-N 0 3 351.450 3.124 20 30 FGEDHN C=CCCCCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000193415486 497374126 /nfs/dbraw/zinc/37/41/26/497374126.db2.gz SOXCQHBMXXOTKE-UHFFFAOYSA-N 0 3 354.491 3.315 20 30 FGEDHN C[C@H](NCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000271662210 497411866 /nfs/dbraw/zinc/41/18/66/497411866.db2.gz LICHOCSUJIKSEW-HNNXBMFYSA-N 0 3 358.463 3.081 20 30 FGEDHN N#Cc1cnc2ccc(Cl)cc2c1N1CCN(C2CCOCC2)CC1 ZINC000267086296 497483625 /nfs/dbraw/zinc/48/36/25/497483625.db2.gz SZZICICBQVRCFN-UHFFFAOYSA-N 0 3 356.857 3.061 20 30 FGEDHN CO[C@@H]1CCC[C@@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC000279617963 497488176 /nfs/dbraw/zinc/48/81/76/497488176.db2.gz GMJZCUTWVBSCIW-YLJYHZDGSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(C#N)cc1 ZINC000245827777 497544647 /nfs/dbraw/zinc/54/46/47/497544647.db2.gz BDUBASFCFCJONR-BRWVUGGUSA-N 0 3 350.466 3.418 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000194207454 497602270 /nfs/dbraw/zinc/60/22/70/497602270.db2.gz FZALSSFOKORGJY-GOSISDBHSA-N 0 3 366.440 3.019 20 30 FGEDHN CO[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000246098302 497620745 /nfs/dbraw/zinc/62/07/45/497620745.db2.gz JANUEPDQDPWVKV-ZIAGYGMSSA-N 0 3 361.511 3.184 20 30 FGEDHN N#CC(C(=O)c1cccc(NC(=O)NC2CC2)c1)c1cnc2ccccc2n1 ZINC000190935530 497651678 /nfs/dbraw/zinc/65/16/78/497651678.db2.gz GUAHCILRTLYRNF-INIZCTEOSA-N 0 3 371.400 3.404 20 30 FGEDHN COc1cccc(COC[C@@H](O)CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194539566 497698792 /nfs/dbraw/zinc/69/87/92/497698792.db2.gz TYWWTFGPKYVISB-NRFANRHFSA-N 0 3 366.461 3.109 20 30 FGEDHN C=CCN(CCOC)CCC(=O)Nc1ccc(Br)cc1F ZINC000191076190 497700998 /nfs/dbraw/zinc/70/09/98/497700998.db2.gz YHOGHQOYFDYFGP-UHFFFAOYSA-N 0 3 359.239 3.051 20 30 FGEDHN CC(C)[C@H]1C[C@@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272694102 497703906 /nfs/dbraw/zinc/70/39/06/497703906.db2.gz DXHNTNBILKMXGS-LEWJYISDSA-N 0 3 371.525 3.290 20 30 FGEDHN Cc1nc2c(cccc2C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)o1 ZINC000280293996 497710304 /nfs/dbraw/zinc/71/03/04/497710304.db2.gz FIAFEBZLJJWVCQ-UHFFFAOYSA-N 0 3 362.433 3.212 20 30 FGEDHN CCO[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280417243 497746777 /nfs/dbraw/zinc/74/67/77/497746777.db2.gz LUKULXMQPSDEQB-PMACEKPBSA-N 0 3 353.466 3.342 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000280417194 497747114 /nfs/dbraw/zinc/74/71/14/497747114.db2.gz LTOPYEQORARNPH-FCHUYYIVSA-N 0 3 373.456 3.306 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000280422598 497749000 /nfs/dbraw/zinc/74/90/00/497749000.db2.gz PLXBSUAPULOZQG-ZPMCFJSWSA-N 0 3 372.472 3.020 20 30 FGEDHN C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000272898947 497756584 /nfs/dbraw/zinc/75/65/84/497756584.db2.gz INHGVELTLLCIOD-HNNXBMFYSA-N 0 3 365.433 3.110 20 30 FGEDHN C=CCC1(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CCC1 ZINC000191266262 497761951 /nfs/dbraw/zinc/76/19/51/497761951.db2.gz USAYGMIAJCPWBG-UHFFFAOYSA-N 0 3 355.526 3.009 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1cccs1 ZINC000246708997 497802409 /nfs/dbraw/zinc/80/24/09/497802409.db2.gz KCPKHYCDOWDZKP-YOEHRIQHSA-N 0 3 372.498 3.063 20 30 FGEDHN CN(C)Cc1cccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000364255090 497863810 /nfs/dbraw/zinc/86/38/10/497863810.db2.gz HKAABDRDGHACLN-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000575187053 505938902 /nfs/dbraw/zinc/93/89/02/505938902.db2.gz BFXUGGSRSPEDOS-GOSISDBHSA-N 0 3 355.869 3.216 20 30 FGEDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000295982365 497878644 /nfs/dbraw/zinc/87/86/44/497878644.db2.gz JIRLVUIMHOZNEB-MOPGFXCFSA-N 0 3 356.514 3.046 20 30 FGEDHN CCN1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)CC1 ZINC000329794938 497902994 /nfs/dbraw/zinc/90/29/94/497902994.db2.gz WEAFQWNQIRVNNU-UHFFFAOYSA-N 0 3 370.501 3.375 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC000329875961 497936397 /nfs/dbraw/zinc/93/63/97/497936397.db2.gz HHBURIMDFPOBDA-NXHRZFHOSA-N 0 3 368.481 3.064 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000329899765 497944971 /nfs/dbraw/zinc/94/49/71/497944971.db2.gz FRUYDQSCLWVHQK-OFNKIYASSA-N 0 3 371.440 3.289 20 30 FGEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000280929901 497954567 /nfs/dbraw/zinc/95/45/67/497954567.db2.gz VWCLDXXKIPFCIU-VXKWHMMOSA-N 0 3 372.472 3.194 20 30 FGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1OCC#N ZINC000280995992 497979676 /nfs/dbraw/zinc/97/96/76/497979676.db2.gz KAAUFLWBQOIBKX-UYAOXDASSA-N 0 3 361.445 3.346 20 30 FGEDHN CN(C(=O)C1CCN(CCOc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000364517885 497997862 /nfs/dbraw/zinc/99/78/62/497997862.db2.gz CHSOAHHXSRVPSU-UHFFFAOYSA-N 0 3 363.461 3.312 20 30 FGEDHN CC(C(=O)NCc1ccc(C2CC2)cc1)S(=O)(=O)C1CCOCC1 ZINC000330069366 498010424 /nfs/dbraw/zinc/01/04/24/498010424.db2.gz HCJUHUIHWGINDS-ZDUSSCGKSA-N 0 3 351.468 3.003 20 30 FGEDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CCCc2c[nH]nc21 ZINC000330086435 498015767 /nfs/dbraw/zinc/01/57/67/498015767.db2.gz SCUMKIRATPNLJJ-MSOLQXFVSA-N 0 3 353.470 3.128 20 30 FGEDHN C[C@@H]1CCCCN(CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000330120120 498029029 /nfs/dbraw/zinc/02/90/29/498029029.db2.gz AZAQVDZPLQMHRH-QGZVFWFLSA-N 0 3 357.498 3.388 20 30 FGEDHN CC(C)(CNC(=O)N[C@H]1CCCc2c[nH]nc21)N1CCc2ccccc2C1 ZINC000330154702 498042044 /nfs/dbraw/zinc/04/20/44/498042044.db2.gz NQVBAYMWYMRWHM-SFHVURJKSA-N 0 3 367.497 3.128 20 30 FGEDHN Cc1ccc(CNC(=O)[C@H]2CCCN2C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000330216494 498065351 /nfs/dbraw/zinc/06/53/51/498065351.db2.gz HVOOOXIPRRMEEJ-MRXNPFEDSA-N 0 3 359.861 3.312 20 30 FGEDHN C=CCN1CC[C@H](NC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1=O ZINC000281232969 498066630 /nfs/dbraw/zinc/06/66/30/498066630.db2.gz FNAIYQQQRIJKLN-INIZCTEOSA-N 0 3 368.399 3.088 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@H](c3nc[nH]n3)c3ccccc3)CC2)cc1 ZINC000364676562 498084169 /nfs/dbraw/zinc/08/41/69/498084169.db2.gz MPDLDALDYJNWJO-NRFANRHFSA-N 0 3 372.476 3.020 20 30 FGEDHN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000330341245 498111906 /nfs/dbraw/zinc/11/19/06/498111906.db2.gz ZAJMIGMJDMHNNE-SFHVURJKSA-N 0 3 360.483 3.186 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N(C)CCCN(C)Cc2ccco2)c(C#N)c1C ZINC000285551835 498126951 /nfs/dbraw/zinc/12/69/51/498126951.db2.gz GRXPNYRKGCIZBP-OAHLLOKOSA-N 0 3 372.469 3.142 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)NCC1(SC)CCN(C)CC1 ZINC000575634084 505986731 /nfs/dbraw/zinc/98/67/31/505986731.db2.gz WTDVQFOXGAGGAX-UHFFFAOYSA-N 0 3 353.557 3.273 20 30 FGEDHN CCOC(=O)c1cc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c(F)cc1C ZINC000330577521 498154554 /nfs/dbraw/zinc/15/45/54/498154554.db2.gz RULRIIRPBWCCFC-KGLIPLIRSA-N 0 3 365.449 3.271 20 30 FGEDHN Cc1nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000364818154 498157685 /nfs/dbraw/zinc/15/76/85/498157685.db2.gz KALXPTNYRVOBPD-IERDGZPVSA-N 0 3 362.477 3.244 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000289503125 498169945 /nfs/dbraw/zinc/16/99/45/498169945.db2.gz LAMZTALRVUHASV-PBHICJAKSA-N 0 3 361.511 3.160 20 30 FGEDHN CC(C)NC(=O)Nc1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000330676183 498171783 /nfs/dbraw/zinc/17/17/83/498171783.db2.gz AACBAZOQAINFRN-INIZCTEOSA-N 0 3 360.502 3.271 20 30 FGEDHN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2=CCN(C)CC2)c1 ZINC000330691362 498174234 /nfs/dbraw/zinc/17/42/34/498174234.db2.gz QVEJPQSWNPZSEW-UHFFFAOYSA-N 0 3 350.850 3.014 20 30 FGEDHN CC(=O)NCc1ccc([C@H]2CCCN2CCOc2ccc(C#N)cc2)o1 ZINC000364920653 498211038 /nfs/dbraw/zinc/21/10/38/498211038.db2.gz UXMKUMPVFUMBTN-LJQANCHMSA-N 0 3 353.422 3.003 20 30 FGEDHN N#Cc1cc(C(=O)Nc2ncccc2CN2CCc3ccccc3CC2)c[nH]1 ZINC000364940089 498218819 /nfs/dbraw/zinc/21/88/19/498218819.db2.gz BPFAPCIOSYFCRT-UHFFFAOYSA-N 0 3 371.444 3.134 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292999097 498229764 /nfs/dbraw/zinc/22/97/64/498229764.db2.gz SOSRPRDXVSWINP-BEFAXECRSA-N 0 3 358.511 3.498 20 30 FGEDHN C=CCOc1ccc(CNCc2cccc(N3CCOCC3)c2)cc1OC ZINC000293101533 498267409 /nfs/dbraw/zinc/26/74/09/498267409.db2.gz XUFMEFJUQOQBRA-UHFFFAOYSA-N 0 3 368.477 3.386 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 ZINC000289749712 498276400 /nfs/dbraw/zinc/27/64/00/498276400.db2.gz LANHMDVURCIPAS-GASCZTMLSA-N 0 3 374.460 3.050 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3ccc(Br)o3)CC2)nc1 ZINC000365087240 498290597 /nfs/dbraw/zinc/29/05/97/498290597.db2.gz WXMITZOIJABESL-UHFFFAOYSA-N 0 3 361.243 3.067 20 30 FGEDHN N#Cc1c(F)cc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1F ZINC000572621153 506013901 /nfs/dbraw/zinc/01/39/01/506013901.db2.gz GYJQKTQKCQCVIY-UHFFFAOYSA-N 0 3 355.388 3.362 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000360809357 498312626 /nfs/dbraw/zinc/31/26/26/498312626.db2.gz JTWWEKLEUQRRIH-QUCCMNQESA-N 0 3 357.498 3.104 20 30 FGEDHN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000331410070 498322487 /nfs/dbraw/zinc/32/24/87/498322487.db2.gz JEMYJJVHUDTUQI-LZLYRXPVSA-N 0 3 365.399 3.249 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000297219480 498363461 /nfs/dbraw/zinc/36/34/61/498363461.db2.gz VZGKFIXOOWNHQU-MGPUTAFESA-N 0 3 370.497 3.220 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1CCc2ccccc2[C@H]1CN ZINC000569847459 506030857 /nfs/dbraw/zinc/03/08/57/506030857.db2.gz ZDRDSLUPUQEXBL-LJQANCHMSA-N 0 3 367.518 3.461 20 30 FGEDHN CN(C)CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CCCCC1 ZINC000293683211 498453038 /nfs/dbraw/zinc/45/30/38/498453038.db2.gz KLVKLALUKACJPS-UHFFFAOYSA-N 0 3 368.403 3.309 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000575938203 506036952 /nfs/dbraw/zinc/03/69/52/506036952.db2.gz HZNBDFRGGMGTPN-FQEVSTJZSA-N 0 3 362.477 3.465 20 30 FGEDHN Cc1ncc(CN2CC[C@@H](NCc3ccc(C#N)cc3F)[C@@H](C)C2)s1 ZINC000362217971 498477254 /nfs/dbraw/zinc/47/72/54/498477254.db2.gz HGQCJLJMDZNPDG-ORAYPTAESA-N 0 3 358.486 3.463 20 30 FGEDHN Cc1ncc(CN2CC[C@@H](NCc3ccc(C#N)cc3F)[C@H](C)C2)s1 ZINC000362217969 498477545 /nfs/dbraw/zinc/47/75/45/498477545.db2.gz HGQCJLJMDZNPDG-BFUOFWGJSA-N 0 3 358.486 3.463 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cccc(C(F)(F)F)n2)cc1 ZINC000293865761 498516725 /nfs/dbraw/zinc/51/67/25/498516725.db2.gz WJGPSVGNLMYZTO-HNNXBMFYSA-N 0 3 372.350 3.013 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(Nc2nc3c(cc2C#N)COCC3)CC1 ZINC000572810981 506057166 /nfs/dbraw/zinc/05/71/66/506057166.db2.gz DMJIEFODLGRAPX-MRXNPFEDSA-N 0 3 362.477 3.085 20 30 FGEDHN CN1CCN(CCCNc2c(C#N)cccc2C#N)[C@H](c2ccccc2)C1 ZINC000302861601 498603640 /nfs/dbraw/zinc/60/36/40/498603640.db2.gz VLIYTIJYASTFON-NRFANRHFSA-N 0 3 359.477 3.221 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000581713103 506051236 /nfs/dbraw/zinc/05/12/36/506051236.db2.gz BMIZPLWQHXCQEQ-ZIPUMODLSA-N 0 3 359.473 3.441 20 30 FGEDHN N#Cc1csc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000365741843 498620923 /nfs/dbraw/zinc/62/09/23/498620923.db2.gz IFORZEXGDCEPBA-MSOLQXFVSA-N 0 3 351.475 3.214 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)o1)Cc1ccc(Br)cc1 ZINC000570009103 506067568 /nfs/dbraw/zinc/06/75/68/506067568.db2.gz OWOBPJKRKCCPKW-UHFFFAOYSA-N 0 3 362.271 3.478 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](CO)c1ccccc1 ZINC000298171125 498684304 /nfs/dbraw/zinc/68/43/04/498684304.db2.gz QLFQRMIPZBNWQH-QGZVFWFLSA-N 0 3 369.490 3.102 20 30 FGEDHN Cc1cc(N2CCC(N[C@H](C)c3ccc(C#N)cc3F)CC2)nc(C)n1 ZINC000332528186 498713537 /nfs/dbraw/zinc/71/35/37/498713537.db2.gz UBZBOHBKKCVPMV-CQSZACIVSA-N 0 3 353.445 3.424 20 30 FGEDHN CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCCCC1 ZINC000332560713 498726193 /nfs/dbraw/zinc/72/61/93/498726193.db2.gz RCQBNMQSKOHSEB-NRFANRHFSA-N 0 3 369.509 3.439 20 30 FGEDHN CN1CCN(C[C@H]2CCCN(c3ccc(C(F)(F)F)cc3C#N)C2)CC1 ZINC000366093806 498772627 /nfs/dbraw/zinc/77/26/27/498772627.db2.gz QLDXCXDFOMCYAH-OAHLLOKOSA-N 0 3 366.431 3.041 20 30 FGEDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000366107620 498778420 /nfs/dbraw/zinc/77/84/20/498778420.db2.gz IDHRQVVBHNFFIV-NVXWUHKLSA-N 0 3 354.475 3.311 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291118019 498802707 /nfs/dbraw/zinc/80/27/07/498802707.db2.gz AQKMWXNQGUIFSZ-IRXDYDNUSA-N 0 3 372.513 3.070 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1nccn1C(F)F)C(C)C ZINC000298649234 498838972 /nfs/dbraw/zinc/83/89/72/498838972.db2.gz CHHCLQQYAFHJAC-HNNXBMFYSA-N 0 3 369.460 3.118 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000328608785 498874761 /nfs/dbraw/zinc/87/47/61/498874761.db2.gz MCYPJWTZGOQEED-AOOOYVTPSA-N 0 3 366.263 3.050 20 30 FGEDHN C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1nc2cc(Br)cnc2[n-]1 ZINC000328608785 498874765 /nfs/dbraw/zinc/87/47/65/498874765.db2.gz MCYPJWTZGOQEED-AOOOYVTPSA-N 0 3 366.263 3.050 20 30 FGEDHN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1nc2cc(Br)cnc2[n-]1 ZINC000328608785 498874768 /nfs/dbraw/zinc/87/47/68/498874768.db2.gz MCYPJWTZGOQEED-AOOOYVTPSA-N 0 3 366.263 3.050 20 30 FGEDHN N#Cc1cnn2cc(CN[C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)cnc12 ZINC000570162641 506105095 /nfs/dbraw/zinc/10/50/95/506105095.db2.gz UOQWKGZYUCZSCQ-IRXDYDNUSA-N 0 3 371.803 3.013 20 30 FGEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000328815403 498946948 /nfs/dbraw/zinc/94/69/48/498946948.db2.gz PNWQAVNYAPAXJF-ZWKOTPCHSA-N 0 3 355.482 3.009 20 30 FGEDHN N#Cc1ccccc1OCCN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000576261371 506116098 /nfs/dbraw/zinc/11/60/98/506116098.db2.gz MPTSRNACPHUHBF-OAQYLSRUSA-N 0 3 354.425 3.003 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328821625 498949689 /nfs/dbraw/zinc/94/96/89/498949689.db2.gz REYHVILKZUOYFN-QAPCUYQASA-N 0 3 369.465 3.394 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000328888836 498975243 /nfs/dbraw/zinc/97/52/43/498975243.db2.gz PXWUDLBSNGDPFM-MJKGWSOKSA-N 0 3 372.513 3.471 20 30 FGEDHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)C1 ZINC000328920032 498985978 /nfs/dbraw/zinc/98/59/78/498985978.db2.gz AXAZHDLIRVPZSL-IJXRJRJASA-N 0 3 371.525 3.325 20 30 FGEDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000328946752 498994089 /nfs/dbraw/zinc/99/40/89/498994089.db2.gz GPFMTSNXJKWGLA-CEXWTWQISA-N 0 3 357.454 3.052 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000366615059 499004609 /nfs/dbraw/zinc/00/46/09/499004609.db2.gz MMBNCAKQUQEXGC-CHWSQXEVSA-N 0 3 369.387 3.414 20 30 FGEDHN COc1ccc([C@H](O)C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000291600081 499007094 /nfs/dbraw/zinc/00/70/94/499007094.db2.gz BVTLQFNNCKWLKC-YADHBBJMSA-N 0 3 366.461 3.046 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC1=O ZINC000329008043 499013073 /nfs/dbraw/zinc/01/30/73/499013073.db2.gz YPXVVUNGWVNFEU-CVEARBPZSA-N 0 3 358.482 3.105 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)[N-]C2(C)CC2)cc1 ZINC000283924659 499013647 /nfs/dbraw/zinc/01/36/47/499013647.db2.gz DZAQXGXMHVISOH-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN N#Cc1cnc(N2CCCN(CCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000295439670 499017958 /nfs/dbraw/zinc/01/79/58/499017958.db2.gz GITMIKJOIIUCJS-UHFFFAOYSA-N 0 3 365.437 3.006 20 30 FGEDHN C[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)N1CCC(C)CC1 ZINC000329267087 499087146 /nfs/dbraw/zinc/08/71/46/499087146.db2.gz HQQZDJQASZBKFF-BFYDXBDKSA-N 0 3 352.523 3.144 20 30 FGEDHN CCN1CCC[C@H](NC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000329326284 499099802 /nfs/dbraw/zinc/09/98/02/499099802.db2.gz UAOWZRFWIJVJNQ-HNNXBMFYSA-N 0 3 361.511 3.346 20 30 FGEDHN CN(c1ccc(C#N)cc1[N+](=O)[O-])C1CCN(CCc2ccncc2)CC1 ZINC000364077746 499109955 /nfs/dbraw/zinc/10/99/55/499109955.db2.gz UFBVLXXQEDFGSC-UHFFFAOYSA-N 0 3 365.437 3.005 20 30 FGEDHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000329369382 499110288 /nfs/dbraw/zinc/11/02/88/499110288.db2.gz LOZKAFLSHIQAFD-MJGOQNOKSA-N 0 3 371.529 3.219 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)no1 ZINC000329399210 499115491 /nfs/dbraw/zinc/11/54/91/499115491.db2.gz VKRREKXWAOQLED-OLMNPRSZSA-N 0 3 369.469 3.264 20 30 FGEDHN CN(C(=O)c1ccc(NCc2cccc(C#N)c2)cc1)[C@@H]1CCCN(C)C1 ZINC000367067665 499143158 /nfs/dbraw/zinc/14/31/58/499143158.db2.gz OILRKYGVTDDWEI-OAQYLSRUSA-N 0 3 362.477 3.337 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@]3(CCCCO3)C1)CCC2 ZINC000370090358 499178913 /nfs/dbraw/zinc/17/89/13/499178913.db2.gz GCDDCQZYGUJCHH-FQEVSTJZSA-N 0 3 373.522 3.472 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000573181845 506137640 /nfs/dbraw/zinc/13/76/40/506137640.db2.gz RJEVAZOFTANJKH-GOSISDBHSA-N 0 3 365.481 3.018 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000370329715 499210295 /nfs/dbraw/zinc/21/02/95/499210295.db2.gz IUOBFIRWXFUSKX-MRXNPFEDSA-N 0 3 355.388 3.183 20 30 FGEDHN Cc1cccc(N2CCN(CCCCNCc3nc(C#N)cs3)CC2)c1 ZINC000579290810 506137782 /nfs/dbraw/zinc/13/77/82/506137782.db2.gz MJDSIHLZZHXLNX-UHFFFAOYSA-N 0 3 369.538 3.015 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc2O1 ZINC000367684093 499224372 /nfs/dbraw/zinc/22/43/72/499224372.db2.gz FGQHLGAMTUYDSN-CQSZACIVSA-N 0 3 355.825 3.181 20 30 FGEDHN C[C@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367804986 499234740 /nfs/dbraw/zinc/23/47/40/499234740.db2.gz VULMDGJICKXVBH-YWZLYKJASA-N 0 3 354.475 3.453 20 30 FGEDHN COCCN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000368373638 499290039 /nfs/dbraw/zinc/29/00/39/499290039.db2.gz FPIYBEWDQDLDOI-WOJBJXKFSA-N 0 3 351.450 3.013 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000371507535 499336084 /nfs/dbraw/zinc/33/60/84/499336084.db2.gz BBBWWBBJDJKTSP-QFIPXVFZSA-N 0 3 363.461 3.264 20 30 FGEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000369156934 499372128 /nfs/dbraw/zinc/37/21/28/499372128.db2.gz PIJKZTBXHOXRNH-QAPCUYQASA-N 0 3 353.445 3.067 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC(C)(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000369179107 499375095 /nfs/dbraw/zinc/37/50/95/499375095.db2.gz PUWAQWWOYQORHS-OAQYLSRUSA-N 0 3 354.498 3.234 20 30 FGEDHN C[C@@H](NC1(CNCc2nc(C#N)cs2)CCOCC1)c1ccccc1 ZINC000576381934 506144730 /nfs/dbraw/zinc/14/47/30/506144730.db2.gz LSBCWURXOAQNDM-OAHLLOKOSA-N 0 3 356.495 3.004 20 30 FGEDHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371999488 499388479 /nfs/dbraw/zinc/38/84/79/499388479.db2.gz SWOFCDWXMDZDIF-CZUORRHYSA-N 0 3 369.494 3.088 20 30 FGEDHN C[C@@H](NC(=O)NC1CCN(C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372005848 499388969 /nfs/dbraw/zinc/38/89/69/499388969.db2.gz DXSDLHNNRCASKY-CYBMUJFWSA-N 0 3 369.494 3.136 20 30 FGEDHN CCN([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCOC(C)(C)C1 ZINC000582150723 506144901 /nfs/dbraw/zinc/14/49/01/506144901.db2.gz OXVLJTOFQOALMK-RBUKOAKNSA-N 0 3 355.482 3.333 20 30 FGEDHN CCCn1nccc1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000369331147 499391917 /nfs/dbraw/zinc/39/19/17/499391917.db2.gz OMOINUZHZGBXQW-UHFFFAOYSA-N 0 3 371.510 3.434 20 30 FGEDHN CN1CC[C@H](CNC(=O)/C=C/c2ccccc2C#N)[C@H]1c1cccs1 ZINC000369564519 499418607 /nfs/dbraw/zinc/41/86/07/499418607.db2.gz JUOXYYLHXHDWEJ-UMURBWECSA-N 0 3 351.475 3.442 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2CCC[C@@H]2N2CCOCC2)cc1 ZINC000373188267 499456262 /nfs/dbraw/zinc/45/62/62/499456262.db2.gz SRMJAAIQJFLWEN-JBACZVJFSA-N 0 3 357.498 3.131 20 30 FGEDHN N#Cc1cccc(OCCN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000378408964 499513405 /nfs/dbraw/zinc/51/34/05/499513405.db2.gz AXSKYOXWKQFMHX-FQEVSTJZSA-N 0 3 367.493 3.052 20 30 FGEDHN COc1ccc2c(c1)[C@H](C)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000375664505 499542582 /nfs/dbraw/zinc/54/25/82/499542582.db2.gz NBGAVYNGABMGLO-OXQOHEQNSA-N 0 3 373.456 3.438 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000375682141 499544938 /nfs/dbraw/zinc/54/49/38/499544938.db2.gz CXZHXGDXRMKBFY-KRWDZBQOSA-N 0 3 354.413 3.307 20 30 FGEDHN C#CCN(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000375923267 499569028 /nfs/dbraw/zinc/56/90/28/499569028.db2.gz ZORKHVIPPJUSPB-UHFFFAOYSA-N 0 3 371.447 3.379 20 30 FGEDHN N#Cc1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000404197148 499570147 /nfs/dbraw/zinc/57/01/47/499570147.db2.gz OBGDAIXSMITRQC-FCHUYYIVSA-N 0 3 365.452 3.173 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCCCC[C@H]32)cc1 ZINC000376586973 499620943 /nfs/dbraw/zinc/62/09/43/499620943.db2.gz HGNCYPAWGDVIAT-JKIFEVAISA-N 0 3 361.467 3.169 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)N1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC000377035389 499655607 /nfs/dbraw/zinc/65/56/07/499655607.db2.gz YSKMDXOFQGXGFT-OALUTQOASA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000377091679 499661277 /nfs/dbraw/zinc/66/12/77/499661277.db2.gz VSECGEHPOSYPQY-QFBILLFUSA-N 0 3 369.428 3.304 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ncc(C#N)cc1Cl ZINC000410547318 499667296 /nfs/dbraw/zinc/66/72/96/499667296.db2.gz OMEVRGUUKDJRKG-RDTXWAMCSA-N 0 3 368.868 3.247 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377624563 499712242 /nfs/dbraw/zinc/71/22/42/499712242.db2.gz PQLJJXGAKUCLOO-PMPSAXMXSA-N 0 3 374.510 3.066 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCNC1(c2ccc(F)cc2)CCOCC1 ZINC000411369966 499730559 /nfs/dbraw/zinc/73/05/59/499730559.db2.gz RVNCONCRBFEFIR-UHFFFAOYSA-N 0 3 367.424 3.321 20 30 FGEDHN CCc1ccc([C@H](CO)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000411514408 499749919 /nfs/dbraw/zinc/74/99/19/499749919.db2.gz XMAPVOZFRMQEPT-IBGZPJMESA-N 0 3 371.868 3.426 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000414131194 499763398 /nfs/dbraw/zinc/76/33/98/499763398.db2.gz KLMKJSNFPHXGDF-CEXWTWQISA-N 0 3 369.509 3.231 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414169396 499765584 /nfs/dbraw/zinc/76/55/84/499765584.db2.gz RSPDXJZGKXZSRO-OAHLLOKOSA-N 0 3 351.516 3.308 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)Nc1cccc(C#N)c1 ZINC000414401002 499787074 /nfs/dbraw/zinc/78/70/74/499787074.db2.gz DMTKGQKJXRFRSW-UHFFFAOYSA-N 0 3 354.410 3.151 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000412063829 499819291 /nfs/dbraw/zinc/81/92/91/499819291.db2.gz DFBVUZSYVXEKCL-QLFBSQMISA-N 0 3 361.511 3.297 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCC[C@H]1OC ZINC000570415194 506162876 /nfs/dbraw/zinc/16/28/76/506162876.db2.gz WJFDDGQUYVRNNK-HZPDHXFCSA-N 0 3 350.532 3.152 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)NC[C@H]2NCCc3ccccc32)cc1C#N ZINC000415309399 499885379 /nfs/dbraw/zinc/88/53/79/499885379.db2.gz SEJIMDVXHUINFG-LJQANCHMSA-N 0 3 364.449 3.354 20 30 FGEDHN COCCN(C)CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421329272 500018060 /nfs/dbraw/zinc/01/80/60/500018060.db2.gz VBEFSLLCLWXMNE-OAQYLSRUSA-N 0 3 355.457 3.497 20 30 FGEDHN COc1cc(CN2CC[C@@H](NCc3ccc(C#N)c(F)c3)C2)cc(OC)c1 ZINC000421344589 500021706 /nfs/dbraw/zinc/02/17/06/500021706.db2.gz UJGCQRGIUYLSNP-GOSISDBHSA-N 0 3 369.440 3.079 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2c(F)cccc2Cl)cc1F ZINC000421361538 500026155 /nfs/dbraw/zinc/02/61/55/500026155.db2.gz HDWDIKBCMLRVSJ-ZDUSSCGKSA-N 0 3 350.796 3.431 20 30 FGEDHN C=CCN1CC[C@H](NC(C)(C)Cc2ccc(Br)c(C)c2)C1=O ZINC000429233591 500028382 /nfs/dbraw/zinc/02/83/82/500028382.db2.gz DYXVXRURQICBFL-INIZCTEOSA-N 0 3 365.315 3.455 20 30 FGEDHN C=CCN1CC[C@H](N[C@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000429365341 500061167 /nfs/dbraw/zinc/06/11/67/500061167.db2.gz INXGOAHKPZFPGR-HOTGVXAUSA-N 0 3 363.299 3.449 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000413902249 500091785 /nfs/dbraw/zinc/09/17/85/500091785.db2.gz OKGZZHDAPQYZOB-UHFFFAOYSA-N 0 3 367.424 3.308 20 30 FGEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429521484 500092932 /nfs/dbraw/zinc/09/29/32/500092932.db2.gz RANACMWXQBIVSV-JKSUJKDBSA-N 0 3 361.511 3.374 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429589861 500109192 /nfs/dbraw/zinc/10/91/92/500109192.db2.gz JZEHPMLSCBDHSF-WMLDXEAASA-N 0 3 360.502 3.072 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000413991105 500118247 /nfs/dbraw/zinc/11/82/47/500118247.db2.gz VHMUUZZFTMVFTJ-FQEVSTJZSA-N 0 3 356.510 3.325 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425485584 500120062 /nfs/dbraw/zinc/12/00/62/500120062.db2.gz UJALNRVXIFAXDH-LJQANCHMSA-N 0 3 361.530 3.018 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421702024 500122133 /nfs/dbraw/zinc/12/21/33/500122133.db2.gz IYCBUUBSTJGZMH-CQSZACIVSA-N 0 3 356.388 3.436 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414040371 500134310 /nfs/dbraw/zinc/13/43/10/500134310.db2.gz LYWQQGBSIGRNKU-MJGOQNOKSA-N 0 3 351.425 3.293 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000425569178 500148976 /nfs/dbraw/zinc/14/89/76/500148976.db2.gz YEDIIXRZVKTJBX-IRXDYDNUSA-N 0 3 351.535 3.120 20 30 FGEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1c(F)cc(C#N)cc1F ZINC000425600681 500158004 /nfs/dbraw/zinc/15/80/04/500158004.db2.gz DKMLSCMBBRUCJH-HNNXBMFYSA-N 0 3 355.388 3.360 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425605467 500158278 /nfs/dbraw/zinc/15/82/78/500158278.db2.gz CVYCVRGKBNJIHR-SLFFLAALSA-N 0 3 354.498 3.232 20 30 FGEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ncc(C#N)cc1Cl ZINC000425607547 500159221 /nfs/dbraw/zinc/15/92/21/500159221.db2.gz NSJLDGPORPFWMC-OAHLLOKOSA-N 0 3 354.841 3.130 20 30 FGEDHN CCOC(=O)Cn1nc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000418144804 500237107 /nfs/dbraw/zinc/23/71/07/500237107.db2.gz LRAFHDYDJYYYHO-FQEVSTJZSA-N 0 3 366.465 3.102 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000573395228 506186486 /nfs/dbraw/zinc/18/64/86/506186486.db2.gz PBQRZZZCGKXIGO-CEWLAPEOSA-N 0 3 371.525 3.287 20 30 FGEDHN CC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CC1(C)C ZINC000419319053 500352204 /nfs/dbraw/zinc/35/22/04/500352204.db2.gz ODRTVNJZKFRIAQ-SJORKVTESA-N 0 3 351.454 3.097 20 30 FGEDHN CN(C)[C@@]1(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCSC1 ZINC000431284570 500358437 /nfs/dbraw/zinc/35/84/37/500358437.db2.gz VPIHNJXHAUPMOC-PKOBYXMFSA-N 0 3 360.527 3.158 20 30 FGEDHN CN(C)[C@]1(CNC(=O)N[C@H](CCCC#N)c2ccccc2)CCSC1 ZINC000431284568 500358635 /nfs/dbraw/zinc/35/86/35/500358635.db2.gz VPIHNJXHAUPMOC-MJGOQNOKSA-N 0 3 360.527 3.158 20 30 FGEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)cc(N2CCCC2)n1 ZINC000427231538 500371518 /nfs/dbraw/zinc/37/15/18/500371518.db2.gz LNJCVVLWKGYNAT-HXUWFJFHSA-N 0 3 362.477 3.379 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](N)c1ccccc1CC ZINC000423940554 500422044 /nfs/dbraw/zinc/42/20/44/500422044.db2.gz NTTRZFROIUHKTN-LJQANCHMSA-N 0 3 354.450 3.252 20 30 FGEDHN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@H](N)CCCC#N ZINC000424110059 500455120 /nfs/dbraw/zinc/45/51/20/500455120.db2.gz CNQLGCMMDQIKOL-QZTJIDSGSA-N 0 3 351.454 3.077 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000424115635 500456448 /nfs/dbraw/zinc/45/64/48/500456448.db2.gz ARBOSYUYTMQHCN-WOJBJXKFSA-N 0 3 351.450 3.082 20 30 FGEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Sc1ccc(Br)cc1 ZINC000424142352 500459654 /nfs/dbraw/zinc/45/96/54/500459654.db2.gz PNTSVFIYJZNUNJ-BXUZGUMPSA-N 0 3 370.316 3.067 20 30 FGEDHN CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1C(F)(F)F ZINC000424156113 500461217 /nfs/dbraw/zinc/46/12/17/500461217.db2.gz QIAYOXQLRDRQKK-OCCSQVGLSA-N 0 3 357.376 3.000 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000424176991 500463852 /nfs/dbraw/zinc/46/38/52/500463852.db2.gz SRDCYNACRGYPGI-MRXNPFEDSA-N 0 3 351.903 3.444 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000424186967 500465043 /nfs/dbraw/zinc/46/50/43/500465043.db2.gz IJMQNISDYPEKEW-DLBZAZTESA-N 0 3 367.453 3.201 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCN3CCc4ccccc43)CC2)c1 ZINC000428384690 500503581 /nfs/dbraw/zinc/50/35/81/500503581.db2.gz XCIKGRVELFNBMY-UHFFFAOYSA-N 0 3 374.488 3.271 20 30 FGEDHN CC(C)[C@H](CNC(=O)c1cscc1C#N)N1CCc2ccccc2C1 ZINC000432404920 500511564 /nfs/dbraw/zinc/51/15/64/500511564.db2.gz VSSJPXYMHYBQAG-IBGZPJMESA-N 0 3 353.491 3.432 20 30 FGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2ccccc2Br)c1 ZINC000428547461 500524679 /nfs/dbraw/zinc/52/46/79/500524679.db2.gz OVVCSVMSXKWMHA-ZDUSSCGKSA-N 0 3 365.296 3.323 20 30 FGEDHN N#Cc1csc(CNC[C@H](CO)Cc2ccccc2Br)c1 ZINC000428547458 500524591 /nfs/dbraw/zinc/52/45/91/500524591.db2.gz OVVCSVMSXKWMHA-CYBMUJFWSA-N 0 3 365.296 3.323 20 30 FGEDHN N#Cc1nnc2ccccc2c1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428662643 500539951 /nfs/dbraw/zinc/53/99/51/500539951.db2.gz CNZMDAPLDCAUFG-SFHVURJKSA-N 0 3 373.460 3.204 20 30 FGEDHN C=CCCn1cc(C(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)nn1 ZINC000424721987 500550229 /nfs/dbraw/zinc/55/02/29/500550229.db2.gz MWROPTMBLFLDQO-IEBWSBKVSA-N 0 3 367.497 3.152 20 30 FGEDHN C[C@H](CCN1CC[C@H](Oc2ccc(C#N)cn2)C1)OCc1ccccc1 ZINC000428811423 500560997 /nfs/dbraw/zinc/56/09/97/500560997.db2.gz ZQBUTBTVDSQJIB-XLIONFOSSA-N 0 3 351.450 3.402 20 30 FGEDHN Cc1ccc(NC(=O)NCc2ccc(C#N)s2)c(OCCN(C)C)c1 ZINC000421057197 500567557 /nfs/dbraw/zinc/56/75/57/500567557.db2.gz LBPUPPHDRLZORY-UHFFFAOYSA-N 0 3 358.467 3.190 20 30 FGEDHN N#CCCC[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000433015258 500606970 /nfs/dbraw/zinc/60/69/70/500606970.db2.gz JSBSZIDDFSQUKM-HKUYNNGSSA-N 0 3 368.433 3.180 20 30 FGEDHN CN1CCN(c2ccc(C(F)(F)F)cc2CN[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442781568 500625566 /nfs/dbraw/zinc/62/55/66/500625566.db2.gz MYEYMJZWWUVJAG-WMLDXEAASA-N 0 3 366.431 3.239 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000433109099 500627840 /nfs/dbraw/zinc/62/78/40/500627840.db2.gz CHEYVYUFNFXOSX-GOSISDBHSA-N 0 3 351.425 3.247 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000576669785 506207678 /nfs/dbraw/zinc/20/76/78/506207678.db2.gz GAKAAYGEXWKKRU-KRWDZBQOSA-N 0 3 357.889 3.457 20 30 FGEDHN COc1cc(OC)cc(OCCCN(C)Cc2ccc(C#N)c(OC)c2)c1 ZINC000442883550 500639465 /nfs/dbraw/zinc/63/94/65/500639465.db2.gz HOOJCBFADPTCMS-UHFFFAOYSA-N 0 3 370.449 3.485 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(N(C)C(=O)NCC)c2)CC1 ZINC000433231816 500651968 /nfs/dbraw/zinc/65/19/68/500651968.db2.gz ASXQBSMWENQBEW-UHFFFAOYSA-N 0 3 373.501 3.014 20 30 FGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433317677 500670893 /nfs/dbraw/zinc/67/08/93/500670893.db2.gz JHHMLUAJEIOTIX-MISYRCLQSA-N 0 3 369.509 3.302 20 30 FGEDHN 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ZINC000448757677 500825541 /nfs/dbraw/zinc/82/55/41/500825541.db2.gz FUYGBFSWXCOXPE-FQEVSTJZSA-N 0 3 352.478 3.083 20 30 FGEDHN CCC[C@]1(CO)CCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000444765067 500895095 /nfs/dbraw/zinc/89/50/95/500895095.db2.gz DFJIPKIVGHSBOQ-OAQYLSRUSA-N 0 3 357.498 3.177 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000444789627 500900712 /nfs/dbraw/zinc/90/07/12/500900712.db2.gz FPTYQBCRIIHBSS-UHFFFAOYSA-N 0 3 350.462 3.254 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C1(CC)CC ZINC000434862283 500903276 /nfs/dbraw/zinc/90/32/76/500903276.db2.gz REOSARPBFNJAHY-OWCLPIDISA-N 0 3 361.511 3.298 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)NC1CC1 ZINC000449110580 500927584 /nfs/dbraw/zinc/92/75/84/500927584.db2.gz DZSDOUNDFIZBNJ-NSHDSACASA-N 0 3 355.251 3.243 20 30 FGEDHN C=CCOc1c(Br)cc(CN2CCCN(C)CC2)cc1OC ZINC000435231443 500946513 /nfs/dbraw/zinc/94/65/13/500946513.db2.gz VZNGJEBWWKVGNY-UHFFFAOYSA-N 0 3 369.303 3.160 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H](Nc2ccccc2)C1 ZINC000439915637 500955079 /nfs/dbraw/zinc/95/50/79/500955079.db2.gz PEDGUDPQSFIWGD-SFTDATJTSA-N 0 3 352.478 3.341 20 30 FGEDHN CN(CC#Cc1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440459065 501010118 /nfs/dbraw/zinc/01/01/18/501010118.db2.gz QEZBLVIZLRQXQB-UHFFFAOYSA-N 0 3 350.437 3.414 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000449517735 501023601 /nfs/dbraw/zinc/02/36/01/501023601.db2.gz HFWJYDNWAYXDHX-SJORKVTESA-N 0 3 351.372 3.383 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2c(C)cc(Br)cn12 ZINC000449547854 501029607 /nfs/dbraw/zinc/02/96/07/501029607.db2.gz KEYFSJVYKRHOSX-CABCVRRESA-N 0 3 350.260 3.228 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000436084822 501068325 /nfs/dbraw/zinc/06/83/25/501068325.db2.gz SNRPAYYRIPTURS-HXUWFJFHSA-N 0 3 351.450 3.272 20 30 FGEDHN C=C(CC)CNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449736823 501071524 /nfs/dbraw/zinc/07/15/24/501071524.db2.gz WNQKSLSFDSOWRN-GFCCVEGCSA-N 0 3 355.276 3.018 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000436289311 501102059 /nfs/dbraw/zinc/10/20/59/501102059.db2.gz GOQKDHRROOOMQG-MDNKFWRPSA-N 0 3 364.917 3.283 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1c[nH]nc1-c1nccs1)C(C)C ZINC000446381496 501113508 /nfs/dbraw/zinc/11/35/08/501113508.db2.gz AGJJCIYXWSCRQU-HNNXBMFYSA-N 0 3 374.514 3.353 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(CN(C)C)cc2)c1 ZINC000446668271 501149656 /nfs/dbraw/zinc/14/96/56/501149656.db2.gz SGLXFDLDNKUKSS-UHFFFAOYSA-N 0 3 367.449 3.280 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)C1CC1 ZINC000450765341 501204675 /nfs/dbraw/zinc/20/46/75/501204675.db2.gz RRWAWOZVHXDKLQ-UGKGYDQZSA-N 0 3 351.494 3.487 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1 ZINC000450287246 501226006 /nfs/dbraw/zinc/22/60/06/501226006.db2.gz PFPFRLFDTDTXLX-NHCUHLMSSA-N 0 3 350.462 3.008 20 30 FGEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)CC(C)(C)CC#N ZINC000450991156 501237307 /nfs/dbraw/zinc/23/73/07/501237307.db2.gz LNNNWJBHTKCWBN-UHFFFAOYSA-N 0 3 371.572 3.162 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100608 501245681 /nfs/dbraw/zinc/24/56/81/501245681.db2.gz VWQWHRXFBOBJNK-HNAYVOBHSA-N 0 3 356.422 3.414 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C)c(C#N)cn1 ZINC000457598059 501265760 /nfs/dbraw/zinc/26/57/60/501265760.db2.gz BJJZTPWFMFMJNW-LJQANCHMSA-N 0 3 362.477 3.246 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451416078 501287786 /nfs/dbraw/zinc/28/77/86/501287786.db2.gz GASDQNSQGVGLIS-GDAAHCPNSA-N 0 3 362.539 3.277 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H]1CCC12CCCC2 ZINC000451460347 501297061 /nfs/dbraw/zinc/29/70/61/501297061.db2.gz ROXJGTWBAGYLIG-GOSISDBHSA-N 0 3 372.513 3.264 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O)C(C)C ZINC000457763014 501304083 /nfs/dbraw/zinc/30/40/83/501304083.db2.gz YUYSHSCCGKMMKH-WTGUMLROSA-N 0 3 363.546 3.020 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C1(C)C ZINC000451492518 501305418 /nfs/dbraw/zinc/30/54/18/501305418.db2.gz JNWGMESJALLKAH-XOKHGSTOSA-N 0 3 361.511 3.280 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)c(I)c1 ZINC000453359123 501319751 /nfs/dbraw/zinc/31/97/51/501319751.db2.gz NPKHLZFNYKYZJG-FZQKWOKYSA-N 0 3 361.198 3.424 20 30 FGEDHN C=CCOc1ccc(CC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000451565968 501326159 /nfs/dbraw/zinc/32/61/59/501326159.db2.gz NDFWFAAMYBOIPU-OAQYLSRUSA-N 0 3 368.477 3.222 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453425669 501329227 /nfs/dbraw/zinc/32/92/27/501329227.db2.gz NZFOGLROHXVDHE-APWZRJJASA-N 0 3 367.497 3.061 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000451680835 501349354 /nfs/dbraw/zinc/34/93/54/501349354.db2.gz KVKIOQFMNNMZAO-UXLLHSPISA-N 0 3 359.495 3.343 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000451681286 501349804 /nfs/dbraw/zinc/34/98/04/501349804.db2.gz NYRNEWBYZGAHCM-UWVAXJGDSA-N 0 3 374.481 3.416 20 30 FGEDHN N#CCCC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000582483319 506248717 /nfs/dbraw/zinc/24/87/17/506248717.db2.gz AHFREQLWZZMOGL-UHFFFAOYSA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2COCC2(C)C)c1C#N ZINC000451806685 501376454 /nfs/dbraw/zinc/37/64/54/501376454.db2.gz FGOVLKHRGWMDTP-KRWDZBQOSA-N 0 3 358.486 3.045 20 30 FGEDHN Cc1cc(C2(NCC(=O)NCC#N)CCCCC2)ccc1Br ZINC000452085729 501432191 /nfs/dbraw/zinc/43/21/91/501432191.db2.gz WOAFPCZVABECBJ-UHFFFAOYSA-N 0 3 364.287 3.146 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](CCCO)C2)c1 ZINC000452128788 501442382 /nfs/dbraw/zinc/44/23/82/501442382.db2.gz YLUJULMMJIOQRM-OALUTQOASA-N 0 3 357.498 3.033 20 30 FGEDHN CC(C)(CC#N)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000458751911 501522758 /nfs/dbraw/zinc/52/27/58/501522758.db2.gz 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ZINC000459549183 501674574 /nfs/dbraw/zinc/67/45/74/501674574.db2.gz YTICRGMPJPVVKJ-GOSISDBHSA-N 0 3 363.889 3.317 20 30 FGEDHN C=CCNC(=O)Nc1ccc(NC(=O)C2CN(C3CCCCC3)C2)cc1 ZINC000457410038 501694485 /nfs/dbraw/zinc/69/44/85/501694485.db2.gz VTUHBHLYDMQFHS-UHFFFAOYSA-N 0 3 356.470 3.197 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1cc(C)c(C#N)cn1)c1cccc(OC)c1 ZINC000457412225 501694511 /nfs/dbraw/zinc/69/45/11/501694511.db2.gz JXOUICPPXUKDHE-HXUWFJFHSA-N 0 3 366.465 3.083 20 30 FGEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C12CCC2 ZINC000459779872 501713316 /nfs/dbraw/zinc/71/33/16/501713316.db2.gz XAAOTMUMCCPASO-MISYRCLQSA-N 0 3 369.509 3.486 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000457519107 501715269 /nfs/dbraw/zinc/71/52/69/501715269.db2.gz FFGGRUGCUJQWPH-QHAWAJNXSA-N 0 3 374.525 3.184 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C)CCCC[C@H]2C)cc1 ZINC000455248959 501716318 /nfs/dbraw/zinc/71/63/18/501716318.db2.gz HMXKNGSDKAMGGA-QWQRMKEZSA-N 0 3 363.483 3.463 20 30 FGEDHN COC(=O)[C@H](C)[C@@H](NCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000477635387 501745078 /nfs/dbraw/zinc/74/50/78/501745078.db2.gz LNRHVTUTGFUMDO-OXQOHEQNSA-N 0 3 352.434 3.467 20 30 FGEDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nc1 ZINC000463588466 501769858 /nfs/dbraw/zinc/76/98/58/501769858.db2.gz WNEZDQKJRAOOGP-UHFFFAOYSA-N 0 3 350.466 3.281 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000588340026 506273049 /nfs/dbraw/zinc/27/30/49/506273049.db2.gz ZCMJGYUYCXLVOX-LIRRHRJNSA-N 0 3 354.429 3.188 20 30 FGEDHN C=CCOCCCN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000470763417 501795161 /nfs/dbraw/zinc/79/51/61/501795161.db2.gz CBKHYELOMBDZPZ-QGZVFWFLSA-N 0 3 360.502 3.311 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000485470105 501829925 /nfs/dbraw/zinc/82/99/25/501829925.db2.gz XCSKRXCQYASSGQ-IEBWSBKVSA-N 0 3 373.566 3.063 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000485487535 501835077 /nfs/dbraw/zinc/83/50/77/501835077.db2.gz GOJMPPIIPVFBHY-KRWDZBQOSA-N 0 3 373.566 3.205 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c(OC)c1 ZINC000470946205 501865056 /nfs/dbraw/zinc/86/50/56/501865056.db2.gz FEIIURXLNCDRIJ-NUEKZKHPSA-N 0 3 373.415 3.436 20 30 FGEDHN CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474591822 501884989 /nfs/dbraw/zinc/88/49/89/501884989.db2.gz CTWDDDSCCGIEHF-SFHVURJKSA-N 0 3 352.413 3.436 20 30 FGEDHN CN1CCC(CC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000485714068 501911030 /nfs/dbraw/zinc/91/10/30/501911030.db2.gz XUTITSWVVBSNCC-UHFFFAOYSA-N 0 3 355.360 3.170 20 30 FGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)N(CC)CC ZINC000460858802 501941417 /nfs/dbraw/zinc/94/14/17/501941417.db2.gz KHERWNCBCKFGEG-LSDHHAIUSA-N 0 3 352.276 3.250 20 30 FGEDHN Cc1ccc2c(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)cn(C)c2c1 ZINC000471165174 501943075 /nfs/dbraw/zinc/94/30/75/501943075.db2.gz MMPLFOYJCDXTPH-HXUWFJFHSA-N 0 3 370.456 3.400 20 30 FGEDHN CN(C(=O)c1ccc(NC(=O)CCCCCC#N)cc1)[C@@H]1CCCN(C)C1 ZINC000588541723 506285060 /nfs/dbraw/zinc/28/50/60/506285060.db2.gz BBMNALLELWUEIY-LJQANCHMSA-N 0 3 370.497 3.265 20 30 FGEDHN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)C(C)C#N ZINC000478464231 501989797 /nfs/dbraw/zinc/98/97/97/501989797.db2.gz RCOKDBJJVFIXQL-SWLSCSKDSA-N 0 3 353.260 3.063 20 30 FGEDHN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)C(C)C#N ZINC000478464229 501989961 /nfs/dbraw/zinc/98/99/61/501989961.db2.gz RCOKDBJJVFIXQL-DOMZBBRYSA-N 0 3 353.260 3.063 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2cncn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464465135 501997198 /nfs/dbraw/zinc/99/71/98/501997198.db2.gz FQDPOJYWRVGTFE-AWEZNQCLSA-N 0 3 357.295 3.171 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000478694759 502059770 /nfs/dbraw/zinc/05/97/70/502059770.db2.gz AFHLAXVYFMRFAQ-HLIPFELVSA-N 0 3 357.498 3.341 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)C1CC1 ZINC000482478079 502081169 /nfs/dbraw/zinc/08/11/69/502081169.db2.gz NHFNXIZLABCGBR-SFHVURJKSA-N 0 3 368.868 3.247 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000461708675 502175095 /nfs/dbraw/zinc/17/50/95/502175095.db2.gz PGJFQISILQKJRB-QGZVFWFLSA-N 0 3 362.477 3.367 20 30 FGEDHN Cc1nn(C)c(N2CCN(Cc3c(C)ccc4ccccc43)CC2)c1C#N ZINC000472166855 502255335 /nfs/dbraw/zinc/25/53/35/502255335.db2.gz APEKVQOYMNCKCD-UHFFFAOYSA-N 0 3 359.477 3.384 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc(C(F)(F)F)cs2)cc1 ZINC000472207609 502270280 /nfs/dbraw/zinc/27/02/80/502270280.db2.gz QBAUWSUHFBRUOU-LBPRGKRZSA-N 0 3 364.352 3.032 20 30 FGEDHN Cc1cccc2c(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000472208645 502270383 /nfs/dbraw/zinc/27/03/83/502270383.db2.gz URHXTGUJHDMOTN-IBGZPJMESA-N 0 3 356.429 3.389 20 30 FGEDHN CN(CCNC(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1ccccc1 ZINC000469074848 502287451 /nfs/dbraw/zinc/28/74/51/502287451.db2.gz SQJQVUHDQOFYDV-UHFFFAOYSA-N 0 3 360.417 3.075 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)s1 ZINC000486874778 502290604 /nfs/dbraw/zinc/29/06/04/502290604.db2.gz PASKDRZZAQIQRE-UHFFFAOYSA-N 0 3 357.504 3.463 20 30 FGEDHN CCn1nc(C(=O)C(C#N)c2nccc3ccccc32)c(=O)c2ccccc21 ZINC000483202033 502313194 /nfs/dbraw/zinc/31/31/94/502313194.db2.gz PDSGBMNTSVVCNU-QGZVFWFLSA-N 0 3 368.396 3.455 20 30 FGEDHN COc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cnc1OC ZINC000599065950 506306656 /nfs/dbraw/zinc/30/66/56/506306656.db2.gz NRNQWPDEYRDMMS-UHFFFAOYSA-N 0 3 352.438 3.047 20 30 FGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc(C#N)c1 ZINC000462241973 502365149 /nfs/dbraw/zinc/36/51/49/502365149.db2.gz STQCDOARFZNKIE-INIZCTEOSA-N 0 3 353.441 3.391 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000483559417 502431839 /nfs/dbraw/zinc/43/18/39/502431839.db2.gz HOYJIZUMRYJGPT-YPMHNXCESA-N 0 3 371.409 3.072 20 30 FGEDHN Cn1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C(F)F)n1 ZINC000462786744 502572599 /nfs/dbraw/zinc/57/25/99/502572599.db2.gz BHQXNDQOXHXNIO-CQSZACIVSA-N 0 3 363.387 3.127 20 30 FGEDHN Cc1cc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)ccc1C#N ZINC000488094804 502626233 /nfs/dbraw/zinc/62/62/33/502626233.db2.gz ANIAHPVCGSYXHA-HXUWFJFHSA-N 0 3 351.494 3.481 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000484631442 502690038 /nfs/dbraw/zinc/69/00/38/502690038.db2.gz IGHNQFVXLOUCAL-QKNQBKEWSA-N 0 3 355.482 3.083 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCCc1cccc(C#N)c1 ZINC000466816951 502693311 /nfs/dbraw/zinc/69/33/11/502693311.db2.gz PQPBMGFPBQZFLQ-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN(C)[C@@H]2CCN(C3CC3)C2)ccc1Cl ZINC000470221758 502709524 /nfs/dbraw/zinc/70/95/24/502709524.db2.gz CSCZPDBGYXUOCJ-GOSISDBHSA-N 0 3 374.916 3.064 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000463341553 502765135 /nfs/dbraw/zinc/76/51/35/502765135.db2.gz WYLORRDSQBAWKM-MRXNPFEDSA-N 0 3 365.424 3.128 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463437315 502804211 /nfs/dbraw/zinc/80/42/11/502804211.db2.gz PDYQTXYEACMZHA-QFIPXVFZSA-N 0 3 350.462 3.254 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(O)cc1Cl)C(C)C ZINC000509155780 502835244 /nfs/dbraw/zinc/83/52/44/502835244.db2.gz TVBDTPVQKMXVEY-GOSISDBHSA-N 0 3 350.890 3.403 20 30 FGEDHN C=CCCc1ccccc1NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000505029249 502841610 /nfs/dbraw/zinc/84/16/10/502841610.db2.gz MFCYGBRPJXDTGU-SFHVURJKSA-N 0 3 358.530 3.200 20 30 FGEDHN Cc1cc(C)c(C#N)c(NCCCN2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000513106800 502853312 /nfs/dbraw/zinc/85/33/12/502853312.db2.gz AGAGVUDWBFVRSS-OAQYLSRUSA-N 0 3 363.509 3.361 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000496223395 502879441 /nfs/dbraw/zinc/87/94/41/502879441.db2.gz PVUWZOBONWOYTA-UHFFFAOYSA-N 0 3 366.575 3.367 20 30 FGEDHN Cn1cnc(-c2ccc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000505329500 502889579 /nfs/dbraw/zinc/88/95/79/502889579.db2.gz NBMBKTMBZXSVMJ-AWEZNQCLSA-N 0 3 371.322 3.386 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513416004 502932737 /nfs/dbraw/zinc/93/27/37/502932737.db2.gz LVSBPYVKXBNLPS-KXBFYZLASA-N 0 3 351.450 3.382 20 30 FGEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000489446719 502960339 /nfs/dbraw/zinc/96/03/39/502960339.db2.gz ITRISKFCFBUQRH-CABCVRRESA-N 0 3 358.251 3.368 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cccc(C#N)c2C)cc1 ZINC000513626774 502984697 /nfs/dbraw/zinc/98/46/97/502984697.db2.gz DCBRTQYBQGBEPP-NRFANRHFSA-N 0 3 363.461 3.442 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000509839884 502995727 /nfs/dbraw/zinc/99/57/27/502995727.db2.gz OFQLKKMFXWPNQP-UHFFFAOYSA-N 0 3 371.481 3.330 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000513828958 503032224 /nfs/dbraw/zinc/03/22/24/503032224.db2.gz SSHRBQOTCOYZBH-HXUWFJFHSA-N 0 3 362.477 3.388 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)Cc2c(F)cccc2C#N)N(C)C)cc1 ZINC000506029591 503032677 /nfs/dbraw/zinc/03/26/77/503032677.db2.gz DSHMNWGMTMHILO-FQEVSTJZSA-N 0 3 353.441 3.221 20 30 FGEDHN C=CCCS(=O)(=O)NCC1(CC)CCN(Cc2ccccc2)CC1 ZINC000513847203 503035490 /nfs/dbraw/zinc/03/54/90/503035490.db2.gz GIAQRFWLNMSTHW-UHFFFAOYSA-N 0 3 350.528 3.174 20 30 FGEDHN C[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000501772343 503076266 /nfs/dbraw/zinc/07/62/66/503076266.db2.gz FSORBEYEZKWPCD-CABCVRRESA-N 0 3 352.400 3.151 20 30 FGEDHN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C(C)C#N)CC2 ZINC000510337445 503094412 /nfs/dbraw/zinc/09/44/12/503094412.db2.gz ZOYNTTPOSXLJPW-VLIAUNLRSA-N 0 3 350.418 3.338 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000498361315 503167921 /nfs/dbraw/zinc/16/79/21/503167921.db2.gz FNHQBGBIKQVEFJ-HNNXBMFYSA-N 0 3 351.472 3.393 20 30 FGEDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000593045592 506356951 /nfs/dbraw/zinc/35/69/51/506356951.db2.gz JELXCBYFKXQXSI-TZIWHRDSSA-N 0 3 354.425 3.101 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@H]1CC(C)C)C(C)C ZINC000506912921 503193401 /nfs/dbraw/zinc/19/34/01/503193401.db2.gz CVZRAYBXRXSOLD-MOPGFXCFSA-N 0 3 351.535 3.142 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502552455 503223478 /nfs/dbraw/zinc/22/34/78/503223478.db2.gz PVZOGTZPNBZAPN-LJQANCHMSA-N 0 3 350.890 3.056 20 30 FGEDHN C[C@@H]1CCCN(CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000507116777 503234167 /nfs/dbraw/zinc/23/41/67/503234167.db2.gz RSXIHZHVMPBYFB-CYBMUJFWSA-N 0 3 360.408 3.274 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@](F)(c3cc(C)cc(F)c3)C2)CC1 ZINC000507175918 503243918 /nfs/dbraw/zinc/24/39/18/503243918.db2.gz ATKFWLJPCRJAIV-HXUWFJFHSA-N 0 3 363.452 3.365 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000507536044 503317060 /nfs/dbraw/zinc/31/70/60/503317060.db2.gz QKIKFHCVOLRICG-YJBOKZPZSA-N 0 3 351.425 3.192 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593057798 506365259 /nfs/dbraw/zinc/36/52/59/506365259.db2.gz BQPDUFPTCRMMIQ-OLZOCXBDSA-N 0 3 371.359 3.450 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000515510843 503354618 /nfs/dbraw/zinc/35/46/18/503354618.db2.gz YVLYXKANPIYWEA-VQTJNVASSA-N 0 3 354.425 3.144 20 30 FGEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503473343 503417129 /nfs/dbraw/zinc/41/71/29/503417129.db2.gz GMKGGLDKZZRZIA-UHFFFAOYSA-N 0 3 371.934 3.200 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(C2CC2)o1 ZINC000516256737 503484133 /nfs/dbraw/zinc/48/41/33/503484133.db2.gz HXBAEJCZANHHOO-UHFFFAOYSA-N 0 3 374.514 3.045 20 30 FGEDHN C=C(CN[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)c1ccccc1 ZINC000611963275 506375945 /nfs/dbraw/zinc/37/59/45/506375945.db2.gz CYTWCZXWPZCVMR-MRXNPFEDSA-N 0 3 352.434 3.493 20 30 FGEDHN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508740158 503554711 /nfs/dbraw/zinc/55/47/11/503554711.db2.gz ORNCGLANCFMASF-IBGZPJMESA-N 0 3 364.497 3.389 20 30 FGEDHN C[C@H]1C[C@@H]1c1noc(CC2CCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000593077668 506378784 /nfs/dbraw/zinc/37/87/84/506378784.db2.gz NXXYUEDMFYMBOZ-KXBFYZLASA-N 0 3 366.465 3.398 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccnc(C#N)c2)N(C)C)cc1 ZINC000516799371 503589843 /nfs/dbraw/zinc/58/98/43/503589843.db2.gz UZUGCIZAWIEGSE-HXUWFJFHSA-N 0 3 350.466 3.184 20 30 FGEDHN C[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512620477 503597218 /nfs/dbraw/zinc/59/72/18/503597218.db2.gz QYINUJGANUZQOV-MAUKXSAKSA-N 0 3 351.425 3.397 20 30 FGEDHN C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc(C#N)cc1F ZINC000512641385 503601299 /nfs/dbraw/zinc/60/12/99/503601299.db2.gz GQUWYPQABWFUMH-JTQLQIEISA-N 0 3 353.323 3.269 20 30 FGEDHN C=C(CNC(=O)N(CCN(C)C)Cc1cccc(OC)c1)c1ccccc1 ZINC000512672634 503609337 /nfs/dbraw/zinc/60/93/37/503609337.db2.gz LNMFAQNQRIWIOX-UHFFFAOYSA-N 0 3 367.493 3.482 20 30 FGEDHN C=CCC[C@H](NCCS(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000509023836 503623119 /nfs/dbraw/zinc/62/31/19/503623119.db2.gz YSBRCWJZPCTFMT-HNNXBMFYSA-N 0 3 364.433 3.194 20 30 FGEDHN Cc1cccc(OC[C@@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000509062913 503632981 /nfs/dbraw/zinc/63/29/81/503632981.db2.gz KGEWMMBCJMUXHM-IBGZPJMESA-N 0 3 366.461 3.150 20 30 FGEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000495046844 503651785 /nfs/dbraw/zinc/65/17/85/503651785.db2.gz KLAGJTDWRPZHFK-UWJYYQICSA-N 0 3 373.518 3.262 20 30 FGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000543185430 503666153 /nfs/dbraw/zinc/66/61/53/503666153.db2.gz LVAYBXPTMJHAMY-MRXNPFEDSA-N 0 3 363.461 3.261 20 30 FGEDHN C=CC1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000532965641 503677885 /nfs/dbraw/zinc/67/78/85/503677885.db2.gz JJBMHHGIUGNVPA-UHFFFAOYSA-N 0 3 352.360 3.418 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000533054620 503717117 /nfs/dbraw/zinc/71/71/17/503717117.db2.gz MIUBPQFNRXPUDN-NRFANRHFSA-N 0 3 351.425 3.445 20 30 FGEDHN CC(=O)c1ccc(C#N)c(NCCc2ccc(OCCN(C)C)cc2)c1 ZINC000543451300 503775536 /nfs/dbraw/zinc/77/55/36/503775536.db2.gz XDYLFKWLXBZUBL-UHFFFAOYSA-N 0 3 351.450 3.356 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000540458999 503777814 /nfs/dbraw/zinc/77/78/14/503777814.db2.gz UAPRPVAIMKPGBD-VQTJNVASSA-N 0 3 350.462 3.403 20 30 FGEDHN Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)NC1(C#N)CCC1 ZINC000527377483 503782808 /nfs/dbraw/zinc/78/28/08/503782808.db2.gz XYNIJLNJCYWKOG-QGZVFWFLSA-N 0 3 353.491 3.492 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CCC1 ZINC000527377770 503783661 /nfs/dbraw/zinc/78/36/61/503783661.db2.gz AIVRCJNVSSTMEX-GOEBONIOSA-N 0 3 365.399 3.494 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@H](COc1ccccc1F)c1ccccc1 ZINC000537068379 503793729 /nfs/dbraw/zinc/79/37/29/503793729.db2.gz AOPHIJBFLFTXGU-LJQANCHMSA-N 0 3 369.440 3.298 20 30 FGEDHN COc1c(C)cnc(CN(C)C(=O)C(C#N)CCc2ccccc2)c1C ZINC000540560844 503817184 /nfs/dbraw/zinc/81/71/84/503817184.db2.gz BYAHHQFZIAMBCU-SFHVURJKSA-N 0 3 351.450 3.438 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1CC[C@H](N2CCCCC2)C1 ZINC000533417769 503837629 /nfs/dbraw/zinc/83/76/29/503837629.db2.gz QFHMKUNXFPQQBO-KRWDZBQOSA-N 0 3 359.539 3.463 20 30 FGEDHN Cc1cc(C)c(C(=O)NC2CCN(CCOc3ccc(C#N)cc3)CC2)o1 ZINC000527577630 503839643 /nfs/dbraw/zinc/83/96/43/503839643.db2.gz ZTTLZNUJPKWHTJ-UHFFFAOYSA-N 0 3 367.449 3.041 20 30 FGEDHN C[C@H](CC(=O)N(CCC#N)CCCN(C)C)C(=O)c1ccc(Cl)cc1 ZINC000537482195 503929049 /nfs/dbraw/zinc/92/90/49/503929049.db2.gz RBFXYLPBOKWZRV-OAHLLOKOSA-N 0 3 363.889 3.243 20 30 FGEDHN COC[C@]1(NCc2cccc(OCCCC#N)c2)COc2ccccc2C1 ZINC000527800571 503949557 /nfs/dbraw/zinc/94/95/57/503949557.db2.gz OEGLMBKFKQLEEN-QFIPXVFZSA-N 0 3 366.461 3.479 20 30 FGEDHN C=CCSCCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000540959315 503954841 /nfs/dbraw/zinc/95/48/41/503954841.db2.gz HMJXFISZHVZXTJ-UHFFFAOYSA-N 0 3 361.555 3.256 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000533904219 503985726 /nfs/dbraw/zinc/98/57/26/503985726.db2.gz JRKFPGAFMORXBM-NRFANRHFSA-N 0 3 365.477 3.192 20 30 FGEDHN FC(F)(F)c1ccc(C#CCNC2CCN(c3cnccn3)CC2)cc1 ZINC000537988948 504103525 /nfs/dbraw/zinc/10/35/25/504103525.db2.gz ZQIMUHMZUMVRQT-UHFFFAOYSA-N 0 3 360.383 3.106 20 30 FGEDHN C=CCc1cc(C(=O)N(CC)C[C@@H]2CCCN2CC)cc(OC)c1OC ZINC000547477328 504120640 /nfs/dbraw/zinc/12/06/40/504120640.db2.gz GJPPUYGGBPMMHR-SFHVURJKSA-N 0 3 360.498 3.379 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)OCC ZINC000534427875 504139634 /nfs/dbraw/zinc/13/96/34/504139634.db2.gz YEIGOVZJMTVWLJ-GOSISDBHSA-N 0 3 354.441 3.226 20 30 FGEDHN C[C@H](OC[C@H](O)CNCCOc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000519142043 504148763 /nfs/dbraw/zinc/14/87/63/504148763.db2.gz WIVMKBVVJZYKRP-HNAYVOBHSA-N 0 3 374.868 3.319 20 30 FGEDHN C=CC[C@@H](CO)CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000538211800 504163659 /nfs/dbraw/zinc/16/36/59/504163659.db2.gz XLECBUCQIWUSAY-SJORKVTESA-N 0 3 365.543 3.005 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccccc2C#N)cc1 ZINC000528345539 504179633 /nfs/dbraw/zinc/17/96/33/504179633.db2.gz JUYMYROJXHKCJW-QUCCMNQESA-N 0 3 352.434 3.144 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000538275353 504185109 /nfs/dbraw/zinc/18/51/09/504185109.db2.gz DMPONQWNLVTRRT-UYAOXDASSA-N 0 3 357.498 3.265 20 30 FGEDHN CN(C)C1(CNC(=O)c2ccc(Cl)c(C#N)c2)Cc2ccccc2C1 ZINC000541580842 504186634 /nfs/dbraw/zinc/18/66/34/504186634.db2.gz APJQTNWWPGFLCM-UHFFFAOYSA-N 0 3 353.853 3.041 20 30 FGEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@@H](O)COc1ccccc1C#N ZINC000528391276 504202861 /nfs/dbraw/zinc/20/28/61/504202861.db2.gz XLKUREVXOXXFHT-XFQXTVEOSA-N 0 3 354.425 3.315 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c(C#N)c1C ZINC000541689824 504222392 /nfs/dbraw/zinc/22/23/92/504222392.db2.gz YLSFYBMJALIJNY-QUJCMNEKSA-N 0 3 353.422 3.249 20 30 FGEDHN COc1cccc([C@@H]2C[C@@H](C)CN2C[C@@H](O)COc2ccccc2C#N)c1 ZINC000528444948 504227557 /nfs/dbraw/zinc/22/75/57/504227557.db2.gz ZEFCPFUFUNFSDB-BSIFCXSSSA-N 0 3 366.461 3.390 20 30 FGEDHN N#CC(C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccncn1 ZINC000544815099 504267856 /nfs/dbraw/zinc/26/78/56/504267856.db2.gz WZJXUWWQBMTDIO-HNNXBMFYSA-N 0 3 355.357 3.412 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC(CC#N)CC1)C1CC1 ZINC000548142096 504346151 /nfs/dbraw/zinc/34/61/51/504346151.db2.gz WRDSSNDEJWTJAS-HXUWFJFHSA-N 0 3 354.498 3.232 20 30 FGEDHN CN(C)C(=O)c1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528785015 504378949 /nfs/dbraw/zinc/37/89/49/504378949.db2.gz WRCYTDHXXPTNKA-UHFFFAOYSA-N 0 3 363.461 3.056 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000538876120 504401925 /nfs/dbraw/zinc/40/19/25/504401925.db2.gz RJIUDBMBLSRDCG-OAHLLOKOSA-N 0 3 358.388 3.425 20 30 FGEDHN COC(=O)c1cccc(OCCN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542248995 504422239 /nfs/dbraw/zinc/42/22/39/504422239.db2.gz FGDWWDLGGHMPJU-UHFFFAOYSA-N 0 3 350.418 3.388 20 30 FGEDHN CC(=O)NC1CCC(N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000542249254 504422758 /nfs/dbraw/zinc/42/27/58/504422758.db2.gz ZUBCTFGGXPOCPV-UHFFFAOYSA-N 0 3 352.400 3.436 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000539254396 504513818 /nfs/dbraw/zinc/51/38/18/504513818.db2.gz PWPPHUONUUWTHS-VFCRVFHLSA-N 0 3 370.497 3.129 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000539278490 504517982 /nfs/dbraw/zinc/51/79/82/504517982.db2.gz RBYQVZRWESHKFN-GOSISDBHSA-N 0 3 371.868 3.225 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](CC)c1c(C)nn(C)c1C ZINC000542521300 504523296 /nfs/dbraw/zinc/52/32/96/504523296.db2.gz BPTNAHITBICQIM-RBUKOAKNSA-N 0 3 357.498 3.246 20 30 FGEDHN N#CC(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nnc2n1CCCCC2 ZINC000535755434 504533114 /nfs/dbraw/zinc/53/31/14/504533114.db2.gz BRLRAZXKHZRQST-MSOLQXFVSA-N 0 3 364.449 3.389 20 30 FGEDHN Cc1nc(SCC(=O)N2CCCC23CCN(C)CC3)c(C#N)c(C)c1C ZINC000535824281 504556962 /nfs/dbraw/zinc/55/69/62/504556962.db2.gz YRZXWNCGYNJSAY-UHFFFAOYSA-N 0 3 372.538 3.057 20 30 FGEDHN CCC[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000542628559 504558791 /nfs/dbraw/zinc/55/87/91/504558791.db2.gz USRRQSREDUVPKJ-MSOLQXFVSA-N 0 3 374.554 3.112 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC2(CC2)CC1 ZINC000520832017 504592000 /nfs/dbraw/zinc/59/20/00/504592000.db2.gz LPRBHFQOKMLMEW-UHFFFAOYSA-N 0 3 354.498 3.354 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@H](C)N2CCC(C)CC2)c(C#N)c(C)c1C ZINC000520869687 504600402 /nfs/dbraw/zinc/60/04/02/504600402.db2.gz UUJYJIRQQVLXFZ-AWEZNQCLSA-N 0 3 374.554 3.207 20 30 FGEDHN C[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539606777 504624770 /nfs/dbraw/zinc/62/47/70/504624770.db2.gz PYDDZVZTXAMMEB-HNNXBMFYSA-N 0 3 360.454 3.353 20 30 FGEDHN C=CCn1c(C2CCCC2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000548937993 504629094 /nfs/dbraw/zinc/62/90/94/504629094.db2.gz JUVNRFCOQHCYOO-SFHVURJKSA-N 0 3 361.534 3.059 20 30 FGEDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521136868 504658444 /nfs/dbraw/zinc/65/84/44/504658444.db2.gz WSYKQTFLOXDJPD-UHFFFAOYSA-N 0 3 364.449 3.159 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc2nnc(C(C)(C)C)n2c1 ZINC000545979686 504663721 /nfs/dbraw/zinc/66/37/21/504663721.db2.gz RQYDQRZLAWJDSO-AWEZNQCLSA-N 0 3 372.432 3.404 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000545979686 504663726 /nfs/dbraw/zinc/66/37/26/504663726.db2.gz RQYDQRZLAWJDSO-AWEZNQCLSA-N 0 3 372.432 3.404 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000532747213 504751108 /nfs/dbraw/zinc/75/11/08/504751108.db2.gz LMXDLYCWJMSLNJ-XPKGASNUSA-N 0 3 361.530 3.054 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000553056343 504816152 /nfs/dbraw/zinc/81/61/52/504816152.db2.gz BFXLOVWBUYRLCB-UHFFFAOYSA-N 0 3 352.438 3.161 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1C#N ZINC000562623725 504884383 /nfs/dbraw/zinc/88/43/83/504884383.db2.gz LKSPBZQYHBCGLT-QGZVFWFLSA-N 0 3 356.470 3.438 20 30 FGEDHN CCc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)N(C)C)cc1 ZINC000559591992 504893276 /nfs/dbraw/zinc/89/32/76/504893276.db2.gz FBHHOTKDSSUOIW-SFHVURJKSA-N 0 3 353.426 3.326 20 30 FGEDHN N#CCCOCCN[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000550105019 504968385 /nfs/dbraw/zinc/96/83/85/504968385.db2.gz DXOZNSBPACOFGS-WIYYLYMNSA-N 0 3 370.424 3.097 20 30 FGEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000553660850 504976047 /nfs/dbraw/zinc/97/60/47/504976047.db2.gz XQAJBLXLSFAWSS-QGZVFWFLSA-N 0 3 365.477 3.136 20 30 FGEDHN CC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000553759390 505001600 /nfs/dbraw/zinc/00/16/00/505001600.db2.gz LICWEOUJYCCUJI-LJQANCHMSA-N 0 3 357.498 3.233 20 30 FGEDHN Cc1nc(SCC(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c(C#N)c(C)c1C ZINC000553775278 505006087 /nfs/dbraw/zinc/00/60/87/505006087.db2.gz JMHNOMUIMQNQIJ-WMZOPIPTSA-N 0 3 372.538 3.056 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(O[C@H]3CCOC3)CC2)ccc1OC ZINC000556900858 505011320 /nfs/dbraw/zinc/01/13/20/505011320.db2.gz JECHVZSZKKZZRK-IBGZPJMESA-N 0 3 361.482 3.420 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(CC#N)cc2)N(C)C)cc1 ZINC000563035799 505028233 /nfs/dbraw/zinc/02/82/33/505028233.db2.gz WDEVGSTVUUIVAO-OAQYLSRUSA-N 0 3 364.493 3.417 20 30 FGEDHN C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000553867277 505028964 /nfs/dbraw/zinc/02/89/64/505028964.db2.gz NGJYDDCEMCGZKA-MRXNPFEDSA-N 0 3 355.482 3.048 20 30 FGEDHN COc1ccc([C@H](OC)[C@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000560256925 505031410 /nfs/dbraw/zinc/03/14/10/505031410.db2.gz KBGKPGCESMNYOK-VBKZILBWSA-N 0 3 350.422 3.080 20 30 FGEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000566111339 505085120 /nfs/dbraw/zinc/08/51/20/505085120.db2.gz AVMVDOWQEBRBEA-CYBMUJFWSA-N 0 3 364.417 3.003 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000554236611 505122251 /nfs/dbraw/zinc/12/22/51/505122251.db2.gz GEIJJKZDJRTOKA-FQEVSTJZSA-N 0 3 360.461 3.121 20 30 FGEDHN N#Cc1ccc(OCCN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000554277118 505132295 /nfs/dbraw/zinc/13/22/95/505132295.db2.gz TZSNFVIPCLENOM-ZWKOTPCHSA-N 0 3 354.475 3.438 20 30 FGEDHN N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CNCCC3(F)F)c2)cc1 ZINC000563462444 505146737 /nfs/dbraw/zinc/14/67/37/505146737.db2.gz YLHXOWVNUOZCDD-KRWDZBQOSA-N 0 3 372.375 3.469 20 30 FGEDHN COc1ccc([C@H](CNC(=O)NCC(C)(C)CCC#N)N2CCCC2)cc1 ZINC000554474310 505181737 /nfs/dbraw/zinc/18/17/37/505181737.db2.gz UTNGMNJFWJCIDW-IBGZPJMESA-N 0 3 372.513 3.461 20 30 FGEDHN C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000551248724 505185312 /nfs/dbraw/zinc/18/53/12/505185312.db2.gz PQQBDCAUAFOEDX-CFAJVAMVSA-N 0 3 359.436 3.484 20 30 FGEDHN C[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000560846910 505200845 /nfs/dbraw/zinc/20/08/45/505200845.db2.gz GLVGSUBOSPACBO-HNNXBMFYSA-N 0 3 352.400 3.295 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000557733657 505217069 /nfs/dbraw/zinc/21/70/69/505217069.db2.gz ARJSQCXJWZYJII-AWEZNQCLSA-N 0 3 358.511 3.157 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000561225886 505286088 /nfs/dbraw/zinc/28/60/88/505286088.db2.gz TYUIYSWFEYVKRE-HXUWFJFHSA-N 0 3 360.498 3.474 20 30 FGEDHN N#Cc1cccc(C2(NCCCCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000551712814 505289414 /nfs/dbraw/zinc/28/94/14/505289414.db2.gz KPHSLHQWOKXOLV-UHFFFAOYSA-N 0 3 359.429 3.213 20 30 FGEDHN C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000561532087 505369896 /nfs/dbraw/zinc/36/98/96/505369896.db2.gz JXTAJSKIHSACBL-MRXNPFEDSA-N 0 3 357.523 3.124 20 30 FGEDHN N#Cc1c(F)cc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1F ZINC000567221449 505399133 /nfs/dbraw/zinc/39/91/33/505399133.db2.gz OEZLMKOUQVRTEA-UHFFFAOYSA-N 0 3 369.415 3.365 20 30 FGEDHN C=CCn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000564379778 505400559 /nfs/dbraw/zinc/40/05/59/505400559.db2.gz PKRTVJBZEPWAPN-GOSISDBHSA-N 0 3 374.492 3.352 20 30 FGEDHN CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000564427421 505417103 /nfs/dbraw/zinc/41/71/03/505417103.db2.gz KHHPDNVBNPBRQL-GOSISDBHSA-N 0 3 352.413 3.436 20 30 FGEDHN Cc1cc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)ccc1C#N ZINC000555505627 505443146 /nfs/dbraw/zinc/44/31/46/505443146.db2.gz IUFDKIBPGZLHIE-UHFFFAOYSA-N 0 3 362.477 3.304 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000564560622 505453350 /nfs/dbraw/zinc/45/33/50/505453350.db2.gz FMRPIJCFHIFOHO-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000558679775 505461469 /nfs/dbraw/zinc/46/14/69/505461469.db2.gz GVUKWNRNKHSIAK-UHFFFAOYSA-N 0 3 364.497 3.056 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(Sc3ccccc3)CC2)c1 ZINC000567690826 505537816 /nfs/dbraw/zinc/53/78/16/505537816.db2.gz JVYAWPVHFAUOGD-UHFFFAOYSA-N 0 3 372.515 3.246 20 30 FGEDHN CC(C)c1ccccc1OCCNC[C@H](O)COc1ccc(C#N)cc1 ZINC000567691720 505538345 /nfs/dbraw/zinc/53/83/45/505538345.db2.gz DCLHULWNQKJUFK-SFHVURJKSA-N 0 3 354.450 3.090 20 30 FGEDHN COc1cc(CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)ccc1C#N ZINC000564869065 505544380 /nfs/dbraw/zinc/54/43/80/505544380.db2.gz NXKXSPIZAGPASV-IFXJQAMLSA-N 0 3 374.868 3.449 20 30 FGEDHN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(CC2CC2)CC1 ZINC000558989974 505547032 /nfs/dbraw/zinc/54/70/32/505547032.db2.gz FYTJEWSIKFSLKW-UHFFFAOYSA-N 0 3 355.486 3.263 20 30 FGEDHN N#Cc1nnc2ccccc2c1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000567720939 505548370 /nfs/dbraw/zinc/54/83/70/505548370.db2.gz QYBFHMLGIVWOFT-LAUBAEHRSA-N 0 3 355.445 3.212 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000559004610 505549900 /nfs/dbraw/zinc/54/99/00/505549900.db2.gz YRONVSHGTDBZHJ-IBGZPJMESA-N 0 3 371.504 3.361 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3cccnc3)C2)c(OC)c1 ZINC000564921163 505558983 /nfs/dbraw/zinc/55/89/83/505558983.db2.gz VFAOIUCHWXETOH-WOJBJXKFSA-N 0 3 368.477 3.048 20 30 FGEDHN CC(C)(C)c1ccc(C#N)c(NCc2ccc(CN3CC[C@@H](O)C3)cc2)n1 ZINC000596423572 506398551 /nfs/dbraw/zinc/39/85/51/506398551.db2.gz LNTWBTGSERZSSG-LJQANCHMSA-N 0 3 364.493 3.429 20 30 FGEDHN C[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCc2ccc(F)cc21 ZINC000593115023 506401588 /nfs/dbraw/zinc/40/15/88/506401588.db2.gz GCDUAAJKUPZGSH-OXQOHEQNSA-N 0 3 368.452 3.293 20 30 FGEDHN CCN1CCC[C@@H](CN(C)c2nc(C)cc(C)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000596448169 506410927 /nfs/dbraw/zinc/41/09/27/506410927.db2.gz KLFHUXZALWRWTM-FXAWDEMLSA-N 0 3 366.513 3.213 20 30 FGEDHN CCc1cc(N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)ccn1 ZINC000596452670 506411761 /nfs/dbraw/zinc/41/17/61/506411761.db2.gz FLKAXWKPEFGVRV-UHFFFAOYSA-N 0 3 358.449 3.232 20 30 FGEDHN CCOC(=O)C[C@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599356754 506426247 /nfs/dbraw/zinc/42/62/47/506426247.db2.gz GJJPVYSWCNAPAK-QRWLVFNGSA-N 0 3 352.434 3.190 20 30 FGEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599395836 506440729 /nfs/dbraw/zinc/44/07/29/506440729.db2.gz LOEVQILRGYDCGU-ZWKOTPCHSA-N 0 3 366.889 3.031 20 30 FGEDHN N#CC1(C[C@H](O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCOCC1 ZINC000599402091 506443023 /nfs/dbraw/zinc/44/30/23/506443023.db2.gz IQDGKLXOZMWMAW-LSDHHAIUSA-N 0 3 360.420 3.112 20 30 FGEDHN COC(=O)[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593184058 506447394 /nfs/dbraw/zinc/44/73/94/506447394.db2.gz UFELDWYBBHQUJH-NRFANRHFSA-N 0 3 363.461 3.027 20 30 FGEDHN Cc1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000599450214 506460378 /nfs/dbraw/zinc/46/03/78/506460378.db2.gz AYTUVVWLZIILRN-GOTSBHOMSA-N 0 3 361.489 3.342 20 30 FGEDHN CN(C)CCOc1cc(-c2noc(CC3(C#N)CCCCC3)n2)ccn1 ZINC000596589381 506476560 /nfs/dbraw/zinc/47/65/60/506476560.db2.gz DCPRAGLTFZTHCI-UHFFFAOYSA-N 0 3 355.442 3.089 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000596611051 506488529 /nfs/dbraw/zinc/48/85/29/506488529.db2.gz CPUUDBPCWHQZHL-UFYCRDLUSA-N 0 3 354.498 3.027 20 30 FGEDHN COc1cccc([C@H](CNC(=O)NCC2(C#N)CCCC2)N2CCCC2)c1 ZINC000593294140 506520022 /nfs/dbraw/zinc/52/00/22/506520022.db2.gz DWPSOPCAZWZDFL-IBGZPJMESA-N 0 3 370.497 3.215 20 30 FGEDHN CC(C)(CNC(=O)NCC1(C#N)CCCC1)N1CCc2ccccc2C1 ZINC000593313539 506530760 /nfs/dbraw/zinc/53/07/60/506530760.db2.gz HXICLHXZONHOAR-UHFFFAOYSA-N 0 3 354.498 3.206 20 30 FGEDHN CCN(C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1)C1CCCCC1 ZINC000599632906 506541740 /nfs/dbraw/zinc/54/17/40/506541740.db2.gz RIWZPAWXMAVIHO-UHFFFAOYSA-N 0 3 369.509 3.335 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)N2CCCC2)cc1 ZINC000612362862 506544668 /nfs/dbraw/zinc/54/46/68/506544668.db2.gz IMENUDNIFZOCCN-TZIWHRDSSA-N 0 3 354.498 3.467 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000599657769 506557672 /nfs/dbraw/zinc/55/76/72/506557672.db2.gz LLZLMMUQLMFOFD-UWJYYQICSA-N 0 3 358.530 3.013 20 30 FGEDHN CN1CCC2(CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C1=O ZINC000589515113 506575777 /nfs/dbraw/zinc/57/57/77/506575777.db2.gz BBRLLHYUGYXXFH-UHFFFAOYSA-N 0 3 351.372 3.021 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2Cc3cccc(C#N)c3C2)[C@H](C(F)(F)F)C1 ZINC000593370736 506581705 /nfs/dbraw/zinc/58/17/05/506581705.db2.gz NIDJWQHJDCPXJA-HZPDHXFCSA-N 0 3 365.399 3.309 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000612443091 506582404 /nfs/dbraw/zinc/58/24/04/506582404.db2.gz ATILVEHMFHSELK-FQEVSTJZSA-N 0 3 350.462 3.395 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2(C#N)CCCC2)C1 ZINC000593429932 506614960 /nfs/dbraw/zinc/61/49/60/506614960.db2.gz FXWAQHFPTUOXCJ-SFHVURJKSA-N 0 3 354.498 3.234 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1(C#N)CCCC1 ZINC000593428285 506615024 /nfs/dbraw/zinc/61/50/24/506615024.db2.gz VQRDRXPWCDGFQP-LJQANCHMSA-N 0 3 369.513 3.161 20 30 FGEDHN N#CC1(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CCCC1 ZINC000593430975 506616085 /nfs/dbraw/zinc/61/60/85/506616085.db2.gz FNFUJMVVQCRPGD-QFIPXVFZSA-N 0 3 366.509 3.378 20 30 FGEDHN Cn1nc(C(F)(F)F)cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000583186152 506635112 /nfs/dbraw/zinc/63/51/12/506635112.db2.gz WFUDLGJUKQBYFH-MRVPVSSYSA-N 0 3 362.233 3.343 20 30 FGEDHN COc1cc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c(F)cc1C#N ZINC000599809283 506649824 /nfs/dbraw/zinc/64/98/24/506649824.db2.gz HUMIESCZVZLVFY-CYBMUJFWSA-N 0 3 360.433 3.044 20 30 FGEDHN N#Cc1nc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC000593496629 506653564 /nfs/dbraw/zinc/65/35/64/506653564.db2.gz UQEBQXPMCXLSGV-OALUTQOASA-N 0 3 368.868 3.086 20 30 FGEDHN COc1ccc2oc(=NC3CCN(Cc4cccc(C#N)c4)CC3)[nH]c2c1 ZINC000593517865 506665243 /nfs/dbraw/zinc/66/52/43/506665243.db2.gz RTHDOYKRFRXPBW-UHFFFAOYSA-N 0 3 362.433 3.206 20 30 FGEDHN N#C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1cccc(Br)c1 ZINC000612652813 506673812 /nfs/dbraw/zinc/67/38/12/506673812.db2.gz RUKUNZNJLNZKQW-HOTGVXAUSA-N 0 3 362.271 3.004 20 30 FGEDHN COc1cc(NC(=O)CCNCC#Cc2ccccc2)c(OC)cc1Cl ZINC000583317103 506713717 /nfs/dbraw/zinc/71/37/17/506713717.db2.gz QLJLRZHGRUBQTN-UHFFFAOYSA-N 0 3 372.852 3.327 20 30 FGEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000593652646 506715714 /nfs/dbraw/zinc/71/57/14/506715714.db2.gz IUUSREPVVMAPLP-RCCFBDPRSA-N 0 3 374.492 3.084 20 30 FGEDHN N#CC1(c2ccc(CN3CCC(CC(=O)N4CCCC4)CC3)cc2)CC1 ZINC000596989232 506716383 /nfs/dbraw/zinc/71/63/83/506716383.db2.gz QFXYIILVAKZSML-UHFFFAOYSA-N 0 3 351.494 3.466 20 30 FGEDHN C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCN1Cc1ccccc1 ZINC000583339161 506725221 /nfs/dbraw/zinc/72/52/21/506725221.db2.gz WPCKBDBORXCGRV-OAHLLOKOSA-N 0 3 365.437 3.149 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)N2CC[C@](F)(C#N)C2)N(CC)CC)cc1 ZINC000590100139 506734440 /nfs/dbraw/zinc/73/44/40/506734440.db2.gz INOMFHRFSCEXGQ-ICSRJNTNSA-N 0 3 360.477 3.279 20 30 FGEDHN C=CCCCCN1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000583546068 506839459 /nfs/dbraw/zinc/83/94/59/506839459.db2.gz MQXVJVYJQAMISF-UHFFFAOYSA-N 0 3 360.527 3.488 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000593965898 506855176 /nfs/dbraw/zinc/85/51/76/506855176.db2.gz YIHJJKIBPGEIKL-MRXNPFEDSA-N 0 3 351.450 3.316 20 30 FGEDHN N#CCN1CCC(NCc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000609335136 506856557 /nfs/dbraw/zinc/85/65/57/506856557.db2.gz VWFBGDYGKDIWLU-UHFFFAOYSA-N 0 3 363.509 3.303 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000593974596 506859730 /nfs/dbraw/zinc/85/97/30/506859730.db2.gz VVKXNPLZEWLCNK-QGZVFWFLSA-N 0 3 367.468 3.466 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CCN2C2CCCCC2)cc1 ZINC000600227713 506859837 /nfs/dbraw/zinc/85/98/37/506859837.db2.gz FECUKNIZXMCROM-NHCUHLMSSA-N 0 3 366.509 3.050 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000594007460 506879044 /nfs/dbraw/zinc/87/90/44/506879044.db2.gz WYWLQYZNEISXFK-HMFYCAOWSA-N 0 3 361.489 3.374 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(Sc2ccccc2)CCCC1 ZINC000609466179 506890340 /nfs/dbraw/zinc/89/03/40/506890340.db2.gz RHMKGKIMYQOQQF-OAHLLOKOSA-N 0 3 361.511 3.081 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](OC3CCC3)C1)CCC2 ZINC000594026154 506891523 /nfs/dbraw/zinc/89/15/23/506891523.db2.gz DSGWFJLNVFAERR-HNNXBMFYSA-N 0 3 373.522 3.471 20 30 FGEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590755297 506939275 /nfs/dbraw/zinc/93/92/75/506939275.db2.gz XTSWMUDGQCGMIX-BMFZPTHFSA-N 0 3 356.388 3.155 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)C1 ZINC000583797974 506978540 /nfs/dbraw/zinc/97/85/40/506978540.db2.gz PKSNEYWVHHNXPI-VMXMFDLUSA-N 0 3 366.509 3.232 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)N[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000594213303 507012835 /nfs/dbraw/zinc/01/28/35/507012835.db2.gz UVNPMLPSZUJMBE-NRFANRHFSA-N 0 3 360.461 3.248 20 30 FGEDHN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594215826 507015759 /nfs/dbraw/zinc/01/57/59/507015759.db2.gz RFXNOTRMYREUNG-RBUKOAKNSA-N 0 3 372.538 3.108 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594283782 507062178 /nfs/dbraw/zinc/06/21/78/507062178.db2.gz SYVFBXNCVAYKHI-OALUTQOASA-N 0 3 372.469 3.309 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)cc1 ZINC000594284476 507063162 /nfs/dbraw/zinc/06/31/62/507063162.db2.gz YWAXACSYEHUKRY-RTWAWAEBSA-N 0 3 364.493 3.374 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2nc3cc(Cl)ccc3s2)CCOCC1 ZINC000600719092 507080586 /nfs/dbraw/zinc/08/05/86/507080586.db2.gz CQGFELVXJAMUMG-ZDUSSCGKSA-N 0 3 365.886 3.111 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000600724439 507083721 /nfs/dbraw/zinc/08/37/21/507083721.db2.gz TZBGZDRORDZXFI-IBGZPJMESA-N 0 3 367.424 3.222 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(C(F)(F)F)CCCC2)c1 ZINC000600761291 507105378 /nfs/dbraw/zinc/10/53/78/507105378.db2.gz XMEAPRQPYLAFRS-UHFFFAOYSA-N 0 3 360.401 3.044 20 30 FGEDHN N#CCCC1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000584050472 507123931 /nfs/dbraw/zinc/12/39/31/507123931.db2.gz VSVOPXNBZSSWTH-UHFFFAOYSA-N 0 3 364.559 3.073 20 30 FGEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594427039 507127200 /nfs/dbraw/zinc/12/72/00/507127200.db2.gz HAOPIXDZTYEJJL-OAHLLOKOSA-N 0 3 366.303 3.254 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000594425767 507127250 /nfs/dbraw/zinc/12/72/50/507127250.db2.gz BVDVJYJSEGCDTK-SNVBAGLBSA-N 0 3 363.311 3.239 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000594429268 507127673 /nfs/dbraw/zinc/12/76/73/507127673.db2.gz RUTOEOHJMPXGAJ-IBGZPJMESA-N 0 3 370.497 3.233 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1NC(=O)c1ccco1 ZINC000594427096 507128008 /nfs/dbraw/zinc/12/80/08/507128008.db2.gz HEPUGMPRHJXHDV-HNNXBMFYSA-N 0 3 354.410 3.190 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000594426547 507128044 /nfs/dbraw/zinc/12/80/44/507128044.db2.gz FCAOVCLQZNCTLF-LBPRGKRZSA-N 0 3 350.875 3.020 20 30 FGEDHN COc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)c2ccc(F)cc2)cc1 ZINC000594431690 507129271 /nfs/dbraw/zinc/12/92/71/507129271.db2.gz PSJFWAODJMEZEE-VQTJNVASSA-N 0 3 369.440 3.451 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000594444914 507137004 /nfs/dbraw/zinc/13/70/04/507137004.db2.gz FMVMLKXCQONMSR-VXGBXAGGSA-N 0 3 374.432 3.279 20 30 FGEDHN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594446280 507137623 /nfs/dbraw/zinc/13/76/23/507137623.db2.gz OWQAMHGLLALTCE-TZMCWYRMSA-N 0 3 353.850 3.103 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000594449548 507139016 /nfs/dbraw/zinc/13/90/16/507139016.db2.gz JVPKEZJTPWYYCQ-HNNXBMFYSA-N 0 3 360.527 3.139 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000594453929 507141239 /nfs/dbraw/zinc/14/12/39/507141239.db2.gz PIJKCVNQVSAWAT-HNNXBMFYSA-N 0 3 369.296 3.053 20 30 FGEDHN CCc1c(NC(=O)[C@H](N)CCCCC#N)cnn1-c1cccc(Cl)c1 ZINC000594456081 507141578 /nfs/dbraw/zinc/14/15/78/507141578.db2.gz HOPLPKKYWXTBLV-OAHLLOKOSA-N 0 3 359.861 3.438 20 30 FGEDHN CN(C)[C@H](CNC(=O)CSc1ccc(C#N)cc1F)c1ccccc1 ZINC000610218805 507144902 /nfs/dbraw/zinc/14/49/02/507144902.db2.gz WAHOGGWMJZGJGM-QGZVFWFLSA-N 0 3 357.454 3.209 20 30 FGEDHN COCCN(C)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594517439 507166113 /nfs/dbraw/zinc/16/61/13/507166113.db2.gz CKXUYDRLUBHKMZ-UHFFFAOYSA-N 0 3 350.466 3.205 20 30 FGEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000597925867 507177337 /nfs/dbraw/zinc/17/73/37/507177337.db2.gz XLKYPISTMCKCEC-QGZVFWFLSA-N 0 3 367.449 3.333 20 30 FGEDHN CN(CC(=O)N(C)C1CCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000597948345 507193382 /nfs/dbraw/zinc/19/33/82/507193382.db2.gz MXXZOZBOXYRJJW-SFHVURJKSA-N 0 3 355.482 3.008 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C ZINC000610321433 507193620 /nfs/dbraw/zinc/19/36/20/507193620.db2.gz UJSNHQRSGCZBSG-HOCLYGCPSA-N 0 3 365.437 3.350 20 30 FGEDHN COC(=O)c1ccc(S[C@@H]2CCCN(Cc3ccccc3)C2)c(C#N)n1 ZINC000594593006 507201000 /nfs/dbraw/zinc/20/10/00/507201000.db2.gz MCFLDCIMEGKGRW-MRXNPFEDSA-N 0 3 367.474 3.497 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NCC3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000598062168 507238274 /nfs/dbraw/zinc/23/82/74/507238274.db2.gz MFWYDDSOXAHGLF-UHFFFAOYSA-N 0 3 374.488 3.013 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(CCN(C)C)c1 ZINC000601134253 507272590 /nfs/dbraw/zinc/27/25/90/507272590.db2.gz DDQZWSZBOACTAL-CQSZACIVSA-N 0 3 357.483 3.091 20 30 FGEDHN COc1cccc([C@]2(C)CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)c1 ZINC000598226131 507328244 /nfs/dbraw/zinc/32/82/44/507328244.db2.gz SRHMLRDONXTNQU-AUSIDOKSSA-N 0 3 373.456 3.439 20 30 FGEDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000584408533 507329742 /nfs/dbraw/zinc/32/97/42/507329742.db2.gz HBCVONRYRJNPCZ-RDJZCZTQSA-N 0 3 371.481 3.187 20 30 FGEDHN N#Cc1ccc(CNC2(CN3CCN(c4ccccc4)CC3)CC2)c(F)c1 ZINC000594988681 507343663 /nfs/dbraw/zinc/34/36/63/507343663.db2.gz RLBFBSFHGDKIGO-UHFFFAOYSA-N 0 3 364.468 3.142 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2cc(Cl)ccc2Cl)s1 ZINC000591770967 507353545 /nfs/dbraw/zinc/35/35/45/507353545.db2.gz WZYCACOFZYSVIG-NSHDSACASA-N 0 3 357.262 3.456 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000598300376 507364438 /nfs/dbraw/zinc/36/44/38/507364438.db2.gz FXFNMGLTBAFOCM-UXHICEINSA-N 0 3 351.450 3.048 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000584518631 507389376 /nfs/dbraw/zinc/38/93/76/507389376.db2.gz UMIOJJMRKATKEU-IRLDBZIGSA-N 0 3 374.488 3.359 20 30 FGEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)COCc1ccccc1 ZINC000614167028 507393556 /nfs/dbraw/zinc/39/35/56/507393556.db2.gz ZVDCLNDLCGSOQW-OAQYLSRUSA-N 0 3 352.478 3.497 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)C2(C#N)CC3(CC3)C2)N(C)C)cc1 ZINC000601582870 507394594 /nfs/dbraw/zinc/39/45/94/507394594.db2.gz VFULMNKTSGDNAT-SFHVURJKSA-N 0 3 355.482 3.277 20 30 FGEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H](c1ccccc1)N1CCOCC1 ZINC000591885759 507396279 /nfs/dbraw/zinc/39/62/79/507396279.db2.gz KUAZKPIKFLTGAV-HRAATJIYSA-N 0 3 353.441 3.249 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1OC ZINC000584547553 507404896 /nfs/dbraw/zinc/40/48/96/507404896.db2.gz HHBSCUKKFODJRU-XYJFISCASA-N 0 3 358.482 3.062 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(CC#N)cc2)N(C)C)cc1 ZINC000591928048 507414506 /nfs/dbraw/zinc/41/45/06/507414506.db2.gz HKELSJGWVQLZHA-HXUWFJFHSA-N 0 3 350.466 3.163 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000595270504 507445533 /nfs/dbraw/zinc/44/55/33/507445533.db2.gz XFJNRLRANYIIEJ-OAHLLOKOSA-N 0 3 354.479 3.106 20 30 FGEDHN COc1ccccc1NC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595358011 507469497 /nfs/dbraw/zinc/46/94/97/507469497.db2.gz RFVFEJVYHHYWEN-UHFFFAOYSA-N 0 3 363.461 3.460 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)CC1 ZINC000592069408 507475108 /nfs/dbraw/zinc/47/51/08/507475108.db2.gz HGGIDTALVCRBNU-UHFFFAOYSA-N 0 3 374.485 3.114 20 30 FGEDHN C[C@H]1CN(c2cccc3cnccc32)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598614693 507519349 /nfs/dbraw/zinc/51/93/49/507519349.db2.gz RNDITLOJZPPEJA-WMZOPIPTSA-N 0 3 352.482 3.046 20 30 FGEDHN N#Cc1cccc(OC2CCN(Cc3ccccc3-n3cncn3)CC2)c1 ZINC000611261367 507588248 /nfs/dbraw/zinc/58/82/48/507588248.db2.gz QRGBDEIVLVCBBY-UHFFFAOYSA-N 0 3 359.433 3.182 20 30 FGEDHN N#Cc1c(F)cccc1N1CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000611260546 507588593 /nfs/dbraw/zinc/58/85/93/507588593.db2.gz FVJKNORWBWGODU-MRXNPFEDSA-N 0 3 351.425 3.386 20 30 FGEDHN COc1cc(NC(=O)CCN2CCC[C@@H](CC#N)C2)c(OC)cc1Cl ZINC000595619937 507596237 /nfs/dbraw/zinc/59/62/37/507596237.db2.gz HIISSUHZEKIHLL-ZDUSSCGKSA-N 0 3 365.861 3.311 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000592303831 507601823 /nfs/dbraw/zinc/60/18/23/507601823.db2.gz RXQVORDMWLJUEB-OAHLLOKOSA-N 0 3 361.486 3.105 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000602186708 507621126 /nfs/dbraw/zinc/62/11/26/507621126.db2.gz DELBHRSXACMBCP-GOSISDBHSA-N 0 3 362.408 3.181 20 30 FGEDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000611386870 507654386 /nfs/dbraw/zinc/65/43/86/507654386.db2.gz WWYLLLKXLAEIDU-CYBMUJFWSA-N 0 3 368.393 3.154 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000586774402 507667013 /nfs/dbraw/zinc/66/70/13/507667013.db2.gz GCVIWTRIDZIYHL-OAHLLOKOSA-N 0 3 353.388 3.147 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)CC3=CCCOC3)sc2C1 ZINC000595753113 507668680 /nfs/dbraw/zinc/66/86/80/507668680.db2.gz PNXABWHGCLBHLM-AWEZNQCLSA-N 0 3 373.522 3.352 20 30 FGEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CCC1CC1)CC1CC1 ZINC000595871511 507719855 /nfs/dbraw/zinc/71/98/55/507719855.db2.gz QALXXOPSUFMRID-UHFFFAOYSA-N 0 3 363.465 3.195 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000595937881 507750206 /nfs/dbraw/zinc/75/02/06/507750206.db2.gz KAPUPBKVGUOXMP-HNNXBMFYSA-N 0 3 369.296 3.053 20 30 FGEDHN Cc1ccc(CN(CC2CC2)C(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000592681121 507762091 /nfs/dbraw/zinc/76/20/91/507762091.db2.gz IJCNWQOGOPRINC-NRFANRHFSA-N 0 3 358.445 3.383 20 30 FGEDHN C=CCOc1c(Cl)cc(CN(C)C2CCN(OC)CC2)cc1OC ZINC000628305777 568252033 /nfs/dbraw/zinc/25/20/33/568252033.db2.gz USNFQMYMHQEUBP-UHFFFAOYSA-N 0 3 354.878 3.371 20 30 FGEDHN C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820431829 599394629 /nfs/dbraw/zinc/39/46/29/599394629.db2.gz ILWNUJVHFFWEGT-HNNXBMFYSA-N 0 3 361.453 3.067 20 30 FGEDHN C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820431829 599394633 /nfs/dbraw/zinc/39/46/33/599394633.db2.gz ILWNUJVHFFWEGT-HNNXBMFYSA-N 0 3 361.453 3.067 20 30 FGEDHN CC[NH+](CC)Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829679630 601298364 /nfs/dbraw/zinc/29/83/64/601298364.db2.gz AFXAENAJCMEQNZ-HXUWFJFHSA-N 0 3 351.450 3.316 20 30 FGEDHN N#CC(C(=O)CCc1cccc(Br)c1)C(=O)NC1CCCC1 ZINC000076603911 700236736 /nfs/dbraw/zinc/23/67/36/700236736.db2.gz SYNXXMWHOORTTC-HNNXBMFYSA-N 0 3 363.255 3.149 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)cs1 ZINC000107408468 700516652 /nfs/dbraw/zinc/51/66/52/700516652.db2.gz YZUBWAIUDSYDBI-ZDUSSCGKSA-N 0 3 371.300 3.458 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000119601378 700633779 /nfs/dbraw/zinc/63/37/79/700633779.db2.gz MIPSXTVCZFLHFD-STQMWFEESA-N 0 3 364.829 3.286 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCSc1ccccc1Br ZINC000130985446 700808631 /nfs/dbraw/zinc/80/86/31/700808631.db2.gz YAZLMGLJXZFJOY-LLVKDONJSA-N 0 3 369.284 3.165 20 30 FGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC000133205173 700835886 /nfs/dbraw/zinc/83/58/86/700835886.db2.gz IBEGWIDRJYCHSN-LLVKDONJSA-N 0 3 372.837 3.117 20 30 FGEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000152272253 704957107 /nfs/dbraw/zinc/95/71/07/704957107.db2.gz HPLXISJDIRMMKM-GWCFXTLKSA-N 0 3 356.394 3.464 20 30 FGEDHN N#CC(C(=O)Cc1cccc(Br)c1)C(=O)NC1CCCCC1 ZINC000171329073 705381078 /nfs/dbraw/zinc/38/10/78/705381078.db2.gz UBBVHOJPBAYVGO-OAHLLOKOSA-N 0 3 363.255 3.149 20 30 FGEDHN CCc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181253455 705780348 /nfs/dbraw/zinc/78/03/48/705780348.db2.gz YDZURVSAQPPZEL-SNVBAGLBSA-N 0 3 365.220 3.250 20 30 FGEDHN CCc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000181254205 705780442 /nfs/dbraw/zinc/78/04/42/705780442.db2.gz YOALJCHUPCGOLZ-GFCCVEGCSA-N 0 3 365.220 3.250 20 30 FGEDHN C#CCSCCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186070225 712708640 /nfs/dbraw/zinc/70/86/40/712708640.db2.gz DTLDPDSMCOPHJG-MSOLQXFVSA-N 0 3 351.537 3.036 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000193380735 712889173 /nfs/dbraw/zinc/88/91/73/712889173.db2.gz FDZDKCLPQQTQQT-UONOGXRCSA-N 0 3 350.846 3.431 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000193493886 712893326 /nfs/dbraw/zinc/89/33/26/712893326.db2.gz FOAAYAGZMJYCEG-AWEZNQCLSA-N 0 3 360.772 3.378 20 30 FGEDHN CCC[C@@H](NCc1cccc(C#N)c1)C(=O)N1CCc2sccc2C1 ZINC000236917622 713585619 /nfs/dbraw/zinc/58/56/19/713585619.db2.gz FFHKRSBFGCFGTN-GOSISDBHSA-N 0 3 353.491 3.463 20 30 FGEDHN CN(c1ncc(Br)cc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309740176 713796630 /nfs/dbraw/zinc/79/66/30/713796630.db2.gz VORQSWJGMKNGFH-QGZVFWFLSA-N 0 3 371.282 3.426 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@H](COC)[C@H]2CCCO2)cc1OC ZINC000623510102 715351192 /nfs/dbraw/zinc/35/11/92/715351192.db2.gz GXZKSNAOYIPPTH-HZPDHXFCSA-N 0 3 355.862 3.197 20 30 FGEDHN CC(C)CN1CCN(c2ccc([C@H](C#N)c3ccccc3F)nn2)CC1 ZINC001164654040 719335158 /nfs/dbraw/zinc/33/51/58/719335158.db2.gz LQDQJKWSFMVWFD-QGZVFWFLSA-N 0 3 353.445 3.049 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](OC)C1CCC1 ZINC000657237765 719603340 /nfs/dbraw/zinc/60/33/40/719603340.db2.gz HDTWGUIMPOLMCL-KRWDZBQOSA-N 0 3 364.559 3.400 20 30 FGEDHN N#Cc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc2ccccc12 ZINC001164732496 720436778 /nfs/dbraw/zinc/43/67/78/720436778.db2.gz NUSHVOYBCVYNNK-LEWJYISDSA-N 0 3 355.445 3.355 20 30 FGEDHN C=CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@H](C)COC ZINC000664969789 720715689 /nfs/dbraw/zinc/71/56/89/720715689.db2.gz IXCVQXPZCLTMRW-CRAIPNDOSA-N 0 3 365.543 3.244 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCS2)cc1Cl ZINC000783356642 724749026 /nfs/dbraw/zinc/74/90/26/724749026.db2.gz RHOGFDHSXOAGHR-SMDDNHRTSA-N 0 3 352.843 3.282 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1ccc(C)cn1 ZINC000753534945 722903266 /nfs/dbraw/zinc/90/32/66/722903266.db2.gz XVTGXCMYTIMUJS-LBPRGKRZSA-N 0 3 357.797 3.322 20 30 FGEDHN CCSc1cc(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)ccn1 ZINC000755602467 722954812 /nfs/dbraw/zinc/95/48/12/722954812.db2.gz MFYBFONEFUIJTP-OAHLLOKOSA-N 0 3 355.419 3.163 20 30 FGEDHN C#CCNC(=S)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000758233692 722986702 /nfs/dbraw/zinc/98/67/02/722986702.db2.gz KWZRDAPNQZBHIP-ZBFHGGJFSA-N 0 3 369.456 3.186 20 30 FGEDHN CC(C)Oc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000759832487 723022916 /nfs/dbraw/zinc/02/29/16/723022916.db2.gz DJYIKFRXYRYZEI-CYBMUJFWSA-N 0 3 357.797 3.483 20 30 FGEDHN CN(CCC#N)c1ccc(CNCc2cnn(CC(F)(F)F)c2)cc1 ZINC000763518475 723347568 /nfs/dbraw/zinc/34/75/68/723347568.db2.gz YXAURHOVOYRXTK-UHFFFAOYSA-N 0 3 351.376 3.085 20 30 FGEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)[C@H](O)c1c(F)cccc1Cl ZINC000793584117 723451325 /nfs/dbraw/zinc/45/13/25/723451325.db2.gz LLHCHHNHZYZOPJ-VOJFVSQTSA-N 0 3 358.804 3.210 20 30 FGEDHN CCn1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)c1C ZINC000796742490 723652851 /nfs/dbraw/zinc/65/28/51/723652851.db2.gz BBGXQAAQBKZGOI-CQSZACIVSA-N 0 3 358.829 3.063 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)COC1(C)CCC1 ZINC000772971307 723773566 /nfs/dbraw/zinc/77/35/66/723773566.db2.gz KESMVZAGUKVDBN-LBPRGKRZSA-N 0 3 364.829 3.264 20 30 FGEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000775573190 724001750 /nfs/dbraw/zinc/00/17/50/724001750.db2.gz XFKHUKDSVKCYGT-KCXAZCMYSA-N 0 3 354.372 3.193 20 30 FGEDHN C[C@H](C#N)OCCN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000801926632 724346449 /nfs/dbraw/zinc/34/64/49/724346449.db2.gz UEWLDWPYUFNXFY-OAHLLOKOSA-N 0 3 351.491 3.027 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CCCOCC1 ZINC000786311666 724972506 /nfs/dbraw/zinc/97/25/06/724972506.db2.gz LQEKIFPCKHYDCD-OLZOCXBDSA-N 0 3 364.829 3.121 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1cccc(Cl)c1F ZINC000810533276 725312965 /nfs/dbraw/zinc/31/29/65/725312965.db2.gz ZYAJJCZBPUCADH-LBPRGKRZSA-N 0 3 360.772 3.378 20 30 FGEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000812015987 725387359 /nfs/dbraw/zinc/38/73/59/725387359.db2.gz YBZKDNBRIJBRHI-BBRMVZONSA-N 0 3 355.404 3.409 20 30 FGEDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211377 726851271 /nfs/dbraw/zinc/85/12/71/726851271.db2.gz JEYZOHIQJVVMMI-FPMFFAJLSA-N 0 3 356.344 3.251 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000822572798 729196141 /nfs/dbraw/zinc/19/61/41/729196141.db2.gz ODDWNQHEIDSFAQ-KRWDZBQOSA-N 0 3 368.308 3.422 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)c2sccc2CC#N)c1 ZINC000875612145 736008768 /nfs/dbraw/zinc/00/87/68/736008768.db2.gz CXRYVTKWVKCTRS-UHFFFAOYSA-N 0 3 357.479 3.027 20 30 FGEDHN N#CC1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCSCC1 ZINC000828481303 729443868 /nfs/dbraw/zinc/44/38/68/729443868.db2.gz CWJHLNRGEMRJMA-GOSISDBHSA-N 0 3 357.523 3.194 20 30 FGEDHN N#CC1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCSCC1 ZINC000828486915 729443929 /nfs/dbraw/zinc/44/39/29/729443929.db2.gz CWJHLNRGEMRJMA-SFHVURJKSA-N 0 3 357.523 3.194 20 30 FGEDHN C[C@](CO)(NC[C@@H](O)c1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000832304137 729704161 /nfs/dbraw/zinc/70/41/61/729704161.db2.gz ZDOMKJKHUJZPKW-QZTJIDSGSA-N 0 3 365.260 3.396 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2n(n1)CCC2 ZINC000835064261 729854823 /nfs/dbraw/zinc/85/48/23/729854823.db2.gz FRFLGBDUYLYQJG-CYBMUJFWSA-N 0 3 363.204 3.097 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccccc1Br ZINC000836487293 729957441 /nfs/dbraw/zinc/95/74/41/729957441.db2.gz CMTFJGIIHURNQR-CQSZACIVSA-N 0 3 366.303 3.107 20 30 FGEDHN CC(C)(C)n1ccc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000847624020 731071732 /nfs/dbraw/zinc/07/17/32/731071732.db2.gz JYBJSZDTTGJRBB-NSHDSACASA-N 0 3 362.792 3.392 20 30 FGEDHN O=[S@](CCNCc1cc(F)cc(C(F)(F)F)c1)CC(F)(F)F ZINC000850348838 731346178 /nfs/dbraw/zinc/34/61/78/731346178.db2.gz VVMUFVFXOCPJSY-JOCHJYFZSA-N 0 3 351.287 3.245 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000850757508 731385424 /nfs/dbraw/zinc/38/54/24/731385424.db2.gz LLSPGFNIUGINNF-MFKMUULPSA-N 0 3 355.221 3.317 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852731850 731626994 /nfs/dbraw/zinc/62/69/94/731626994.db2.gz MXBDOKIOEQJVDW-RTBURBONSA-N 0 3 350.890 3.188 20 30 FGEDHN S=C(NN=C1CCCC12CC2)NC1CCN(Cc2ccccc2)CC1 ZINC000853267600 731689848 /nfs/dbraw/zinc/68/98/48/731689848.db2.gz WAKJSCVMFNEXIL-UHFFFAOYSA-N 0 3 356.539 3.435 20 30 FGEDHN C#CC[C@@H](COC)NCc1cc(Br)c(OCC=C)c(OC)c1 ZINC000858336107 732204699 /nfs/dbraw/zinc/20/46/99/732204699.db2.gz VXFRLSBTOZVURT-AWEZNQCLSA-N 0 3 368.271 3.150 20 30 FGEDHN N#Cc1cccc([C@H](NC(=O)c2cc3c(s2)CCNC3)C(F)(F)F)c1 ZINC000871019627 733907664 /nfs/dbraw/zinc/90/76/64/733907664.db2.gz AXYHVKYAKKYIFN-HNNXBMFYSA-N 0 3 365.380 3.299 20 30 FGEDHN CC1(C)C[C@@H](NCCNC(=O)C2N=CC=CC2=O)c2ccccc2S1 ZINC000872045497 735581123 /nfs/dbraw/zinc/58/11/23/735581123.db2.gz MZLLJSUTYYMQFL-MGPWXQLLSA-N 0 3 357.479 3.118 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)OC)cc(Cl)c2Cl)CC1 ZINC000876295239 736074394 /nfs/dbraw/zinc/07/43/94/736074394.db2.gz RAWUDQLSRGHOER-UHFFFAOYSA-N 0 3 369.248 3.064 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000876602905 736119495 /nfs/dbraw/zinc/11/94/95/736119495.db2.gz XCXOAMVSBSGPGM-ZFWWWQNUSA-N 0 3 354.878 3.377 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000876603857 736119562 /nfs/dbraw/zinc/11/95/62/736119562.db2.gz CENXFOBAQBCXHN-MRXNPFEDSA-N 0 3 364.852 3.077 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000876905550 736161492 /nfs/dbraw/zinc/16/14/92/736161492.db2.gz ISUDAWRAPUQBCB-MWLCHTKSSA-N 0 3 372.721 3.478 20 30 FGEDHN N#Cc1cnc(Cl)c(CNCC2(N3CCSCC3)CCCC2)c1 ZINC000876929428 736164053 /nfs/dbraw/zinc/16/40/53/736164053.db2.gz WSZWFJOPDBGFGG-UHFFFAOYSA-N 0 3 350.919 3.058 20 30 FGEDHN N#Cc1ccc(CN(CC2CC2)[C@H](C(N)=O)C2CC2)c(C(F)(F)F)c1 ZINC000879489438 736996284 /nfs/dbraw/zinc/99/62/84/736996284.db2.gz YPXOZXGAVDGFLA-INIZCTEOSA-N 0 3 351.372 3.053 20 30 FGEDHN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884054232 737628710 /nfs/dbraw/zinc/62/87/10/737628710.db2.gz WAKYSPGSXWFMKJ-UIORMTCPSA-N 0 3 352.265 3.091 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(Cl)cc1Cl ZINC000884053713 737628859 /nfs/dbraw/zinc/62/88/59/737628859.db2.gz FNBIABGULXFAMG-NDMYFLRLSA-N 0 3 352.265 3.310 20 30 FGEDHN Cc1nc(-c2cccc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)c2)cs1 ZINC000884057988 737629507 /nfs/dbraw/zinc/62/95/07/737629507.db2.gz XMGHXFLFPNABNS-HVEKOLDVSA-N 0 3 352.463 3.196 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(C3SCCS3)c1)C2 ZINC000884060171 737629984 /nfs/dbraw/zinc/62/99/84/737629984.db2.gz QURHZSSRHKIJED-TXKKKEFDSA-N 0 3 359.520 3.243 20 30 FGEDHN CCC[C@H]1CCc2nc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)sc2C1 ZINC000884114401 737634505 /nfs/dbraw/zinc/63/45/05/737634505.db2.gz PYEFTSOSRJBNFJ-TXCIGDHXSA-N 0 3 358.511 3.126 20 30 FGEDHN C#C[C@@H](NC1CCN(c2cnccn2)CC1)c1ccc(Br)cc1 ZINC000894871190 742345060 /nfs/dbraw/zinc/34/50/60/742345060.db2.gz SDZVIYFYVOEUCJ-QGZVFWFLSA-N 0 3 371.282 3.172 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccns1 ZINC000902202123 743721757 /nfs/dbraw/zinc/72/17/57/743721757.db2.gz BFJATYDXTNONTL-UHFFFAOYSA-N 0 3 363.556 3.284 20 30 FGEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1OCC(F)(F)F ZINC000905082763 743991994 /nfs/dbraw/zinc/99/19/94/743991994.db2.gz WXFHCBISVXVMAE-WUFUFFIZSA-N 0 3 353.300 3.069 20 30 FGEDHN C#CCN(C(=O)c1c(F)cc(C(F)(F)F)cc1F)C1CCN(C)CC1 ZINC000906452420 744133709 /nfs/dbraw/zinc/13/37/09/744133709.db2.gz RLAHRTVWCTZHEV-UHFFFAOYSA-N 0 3 360.326 3.153 20 30 FGEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000948554514 762336979 /nfs/dbraw/zinc/33/69/79/762336979.db2.gz WYSZEUIFYWQTOA-GVDBMIGSSA-N 0 3 356.432 3.467 20 30 FGEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1 ZINC000949398908 762385885 /nfs/dbraw/zinc/38/58/85/762385885.db2.gz QSTWJLGPPRBDSB-ZWKOTPCHSA-N 0 3 360.523 3.121 20 30 FGEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000911971758 757241926 /nfs/dbraw/zinc/24/19/26/757241926.db2.gz PFAHEOXDUWGUPL-ZDUSSCGKSA-N 0 3 360.376 3.353 20 30 FGEDHN C=CCNC(=S)NN=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000915923886 758004537 /nfs/dbraw/zinc/00/45/37/758004537.db2.gz UAIIYHVPUKZEJC-UHFFFAOYSA-N 0 3 360.527 3.055 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=S)Nc2ccccc2C#N)CC1 ZINC000915997787 758017567 /nfs/dbraw/zinc/01/75/67/758017567.db2.gz HFNBOQUWVCOCBF-UHFFFAOYSA-N 0 3 354.479 3.444 20 30 FGEDHN Cc1ccc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)o1 ZINC000916307040 758067657 /nfs/dbraw/zinc/06/76/57/758067657.db2.gz OAQDXMSUSYEYPL-UHFFFAOYSA-N 0 3 356.495 3.051 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000916875145 758148259 /nfs/dbraw/zinc/14/82/59/758148259.db2.gz SYFLISWRAHENLS-HIFRSBDPSA-N 0 3 350.846 3.431 20 30 FGEDHN CC(C)(C)N1C[C@@H](CNCc2cc(C#N)ccc2Br)CC1=O ZINC000922261844 758881280 /nfs/dbraw/zinc/88/12/80/758881280.db2.gz RZNMJRQNAHOEBK-CYBMUJFWSA-N 0 3 364.287 3.057 20 30 FGEDHN C=CCC[C@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941218 761280613 /nfs/dbraw/zinc/28/06/13/761280613.db2.gz JTIXDLVCSIYJQB-LPEHRKFASA-N 0 3 367.280 3.416 20 30 FGEDHN C[C@H](O)CCCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945034 761281554 /nfs/dbraw/zinc/28/15/54/761281554.db2.gz PVRVDFIJHTYPHG-CIUDSAMLSA-N 0 3 355.269 3.250 20 30 FGEDHN OC[C@@H](NCCOCC(F)(F)C(F)F)c1ccccc1C(F)(F)F ZINC000933240757 761342945 /nfs/dbraw/zinc/34/29/45/761342945.db2.gz BRPCCGWWKRRDSM-LLVKDONJSA-N 0 3 363.273 3.245 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2C)C1 ZINC000972372129 762959367 /nfs/dbraw/zinc/95/93/67/762959367.db2.gz CUAFCWSPUPCNQV-OTWHNJEPSA-N 0 3 362.901 3.272 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(Cc2csc(C)c2)CC1 ZINC001006125285 765511302 /nfs/dbraw/zinc/51/13/02/765511302.db2.gz XSNBEIAFVAYIEW-OALUTQOASA-N 0 3 362.539 3.461 20 30 FGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001016686204 765820287 /nfs/dbraw/zinc/82/02/87/765820287.db2.gz VEZJMCNTAGFLRD-PMPSAXMXSA-N 0 3 356.432 3.349 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001020411907 765874517 /nfs/dbraw/zinc/87/45/17/765874517.db2.gz HCJVJJNKQVKIBW-NBOOPKSLSA-N 0 3 363.299 3.110 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001021260218 765921821 /nfs/dbraw/zinc/92/18/21/765921821.db2.gz DTGRCHKQKLSCHM-BMRXWSCTSA-N 0 3 360.420 3.032 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001045970936 766579173 /nfs/dbraw/zinc/57/91/73/766579173.db2.gz OJRVXBHGADYOMB-XIEONCRKSA-N 0 3 352.906 3.035 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001050050239 766817700 /nfs/dbraw/zinc/81/77/00/766817700.db2.gz ZHDRNTCDACNNLQ-MANSERQUSA-N 0 3 360.523 3.152 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000029477129 257336616 /nfs/dbraw/zinc/33/66/16/257336616.db2.gz AWBBSXIMXJOBLY-IBGZPJMESA-N 0 3 369.490 3.394 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)nc2C)CC1 ZINC000091188102 494551781 /nfs/dbraw/zinc/55/17/81/494551781.db2.gz JDHSUNYCJQUUOG-UHFFFAOYSA-N 0 3 367.291 3.315 20 30 FGEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000567994008 505592135 /nfs/dbraw/zinc/59/21/35/505592135.db2.gz AEPYWUJOMRCXRR-UHFFFAOYSA-N 0 3 370.375 3.315 20 30 FGEDHN N#Cc1cc(NC(=O)N[C@H]2CNCCC2(F)F)ccc1Oc1ccccc1 ZINC000573783681 505619695 /nfs/dbraw/zinc/61/96/95/505619695.db2.gz IPDSSJFBLCUAHK-KRWDZBQOSA-N 0 3 372.375 3.469 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCN(C(=O)CCc3ccccc3)C1)CC2 ZINC000571128224 505659294 /nfs/dbraw/zinc/65/92/94/505659294.db2.gz OLBZWXLBPJMVID-IFMALSPDSA-N 0 3 359.473 3.369 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000602523279 507736226 /nfs/dbraw/zinc/73/62/26/507736226.db2.gz AECJOMADTIEKPT-INIZCTEOSA-N 0 3 364.287 3.209 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](COCc2ccccc2)C1 ZINC000075864840 493787921 /nfs/dbraw/zinc/78/79/21/493787921.db2.gz XEQLTXSAHYHKMW-FQEVSTJZSA-N 0 3 366.461 3.484 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000080901522 493788530 /nfs/dbraw/zinc/78/85/30/493788530.db2.gz WCKIGHFEJABSQY-DYESRHJHSA-N 0 3 357.498 3.100 20 30 FGEDHN CN(Cc1cc(C#N)ccc1F)C1CCN(CCc2ccccn2)CC1 ZINC000080968905 493803647 /nfs/dbraw/zinc/80/36/47/493803647.db2.gz CVCPSNNMQJBWLF-UHFFFAOYSA-N 0 3 352.457 3.231 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(N(C)C(C)=O)cc1)C(C)C ZINC000068560039 493841412 /nfs/dbraw/zinc/84/14/12/493841412.db2.gz CGWNJYVTXJNZMY-HXUWFJFHSA-N 0 3 372.513 3.489 20 30 FGEDHN CCOc1cccc(/C=N/c2ccc3oc(=O)n(CCN(C)C)c3c2)c1O ZINC000058464387 493857167 /nfs/dbraw/zinc/85/71/67/493857167.db2.gz WTLRGAQSNGRUEW-FYJGNVAPSA-N 0 3 369.421 3.011 20 30 FGEDHN C[C@H]1CCCN(Cc2ccccc2CNS(=O)(=O)CCCCC#N)C1 ZINC000068880781 493887393 /nfs/dbraw/zinc/88/73/93/493887393.db2.gz VJQVARANTYTUBW-KRWDZBQOSA-N 0 3 363.527 3.032 20 30 FGEDHN CC(C)CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000049969222 493887905 /nfs/dbraw/zinc/88/79/05/493887905.db2.gz XQCNHCBRAQAXHD-UHFFFAOYSA-N 0 3 374.554 3.101 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CC2CCCCC2)CC1 ZINC000049981848 493889011 /nfs/dbraw/zinc/88/90/11/493889011.db2.gz CMEZFMBNIGGUMY-QGZVFWFLSA-N 0 3 354.498 3.083 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000050024711 493891959 /nfs/dbraw/zinc/89/19/59/493891959.db2.gz JSGDJZGWQNUVNU-FQEVSTJZSA-N 0 3 350.466 3.169 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000030535822 493895610 /nfs/dbraw/zinc/89/56/10/493895610.db2.gz XNPALZMULLVFDE-QAPCUYQASA-N 0 3 355.434 3.234 20 30 FGEDHN CC(=O)CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532867 493896163 /nfs/dbraw/zinc/89/61/63/493896163.db2.gz AKKPGKUAACCRDD-UWJYYQICSA-N 0 3 366.461 3.170 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000062373023 494010804 /nfs/dbraw/zinc/01/08/04/494010804.db2.gz USDGPBKISUZNDX-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)CC1 ZINC000083720785 494033260 /nfs/dbraw/zinc/03/32/60/494033260.db2.gz AJUSMYQOSBYRPA-KRWDZBQOSA-N 0 3 356.514 3.077 20 30 FGEDHN N#Cc1cccc(CN2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000063301499 494042537 /nfs/dbraw/zinc/04/25/37/494042537.db2.gz BFPPUDNOCRHKEC-UHFFFAOYSA-N 0 3 353.491 3.191 20 30 FGEDHN COc1ccc([C@@H]2CCN(CCOc3ccc(C#N)cc3OC)C2)cc1 ZINC000077275065 494045999 /nfs/dbraw/zinc/04/59/99/494045999.db2.gz XGZYKHLGFAKQBU-GOSISDBHSA-N 0 3 352.434 3.444 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN(CCc1ccccc1)C1CCCC1 ZINC000063754605 494084557 /nfs/dbraw/zinc/08/45/57/494084557.db2.gz NSDQCBIVWAWTQX-UHFFFAOYSA-N 0 3 352.482 3.130 20 30 FGEDHN COc1ccc(CN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C2CC2)cc1 ZINC000053098340 494093204 /nfs/dbraw/zinc/09/32/04/494093204.db2.gz NTIGTMHDHMNACY-VFNWGFHPSA-N 0 3 355.482 3.104 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1cccc(C#N)c1)c1cccc(OC)c1 ZINC000071813904 494102228 /nfs/dbraw/zinc/10/22/28/494102228.db2.gz QZCLMIQSHXOZHO-HXUWFJFHSA-N 0 3 351.450 3.380 20 30 FGEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000053404925 494126574 /nfs/dbraw/zinc/12/65/74/494126574.db2.gz VDJDDIFORHISGC-MRXNPFEDSA-N 0 3 359.539 3.418 20 30 FGEDHN COc1cc(CN(CCO)C(C)C)ccc1OCc1cccc(C#N)c1 ZINC000085862467 494139268 /nfs/dbraw/zinc/13/92/68/494139268.db2.gz JLGZKAGGTWLJDW-UHFFFAOYSA-N 0 3 354.450 3.349 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000064641631 494140826 /nfs/dbraw/zinc/14/08/26/494140826.db2.gz HRRQYTHKQLTJBV-SJORKVTESA-N 0 3 357.498 3.304 20 30 FGEDHN CC(=O)NCc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041554518 494167374 /nfs/dbraw/zinc/16/73/74/494167374.db2.gz QYBRRWXVIVJUPG-OAHLLOKOSA-N 0 3 361.323 3.227 20 30 FGEDHN COCCN(CCC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000072583647 494209703 /nfs/dbraw/zinc/20/97/03/494209703.db2.gz NSBDFUPAPKLZFC-UHFFFAOYSA-N 0 3 367.449 3.044 20 30 FGEDHN C[C@@H](O)CN(CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000072600514 494214274 /nfs/dbraw/zinc/21/42/74/494214274.db2.gz ATNPEPXEFBZSRR-OAHLLOKOSA-N 0 3 361.511 3.256 20 30 FGEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(CC2CCOCC2)CC1 ZINC000078293103 494271852 /nfs/dbraw/zinc/27/18/52/494271852.db2.gz MOJASVVFWKKBMK-UHFFFAOYSA-N 0 3 368.456 3.103 20 30 FGEDHN Cc1cc(C)c2ncc(C#N)c(NC3CCN([C@@H]4CCOC4)CC3)c2c1 ZINC000089602864 494330419 /nfs/dbraw/zinc/33/04/19/494330419.db2.gz SVACGWHOUYWULT-GOSISDBHSA-N 0 3 350.466 3.389 20 30 FGEDHN COCCN(C)CCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066954478 494445082 /nfs/dbraw/zinc/44/50/82/494445082.db2.gz UBVFTZZTGQQNAQ-HNNXBMFYSA-N 0 3 364.515 3.171 20 30 FGEDHN C=C(C)COCCN[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000090451120 494468105 /nfs/dbraw/zinc/46/81/05/494468105.db2.gz UBVKDBVWSSONFF-KRWDZBQOSA-N 0 3 366.527 3.105 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(O)cc2)CC2CC2)CC1 ZINC000074130117 494486068 /nfs/dbraw/zinc/48/60/68/494486068.db2.gz PGGUTOYJQAFWQY-UHFFFAOYSA-N 0 3 357.498 3.354 20 30 FGEDHN COC(=O)[C@H](C)[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000079922349 494550128 /nfs/dbraw/zinc/55/01/28/494550128.db2.gz IRHKPKODZPKZTQ-QRWLVFNGSA-N 0 3 365.433 3.027 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000046835896 494572721 /nfs/dbraw/zinc/57/27/21/494572721.db2.gz NVINILTZANZXTK-FQEVSTJZSA-N 0 3 366.461 3.167 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000568596008 505731779 /nfs/dbraw/zinc/73/17/79/505731779.db2.gz PAPODAGEUZGEOQ-ZACQAIPSSA-N 0 3 363.527 3.164 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)CC1 ZINC000057177416 494669383 /nfs/dbraw/zinc/66/93/83/494669383.db2.gz IDWBDBSDGBVALT-SFHVURJKSA-N 0 3 356.510 3.256 20 30 FGEDHN COc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1OCCCC#N ZINC000080343877 494681541 /nfs/dbraw/zinc/68/15/41/494681541.db2.gz GKNQTWSNUYKEGQ-SANMLTNESA-N 0 3 372.490 3.405 20 30 FGEDHN Cn1cc(CN2CCCN(c3ccccc3C#N)CC2)c(-c2ccncc2)n1 ZINC000091792557 494682260 /nfs/dbraw/zinc/68/22/60/494682260.db2.gz XAMCOUDVEFIVDN-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000108345031 494686980 /nfs/dbraw/zinc/68/69/80/494686980.db2.gz DRYCWVZYESSYQU-QGZVFWFLSA-N 0 3 363.461 3.209 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000092662203 494703228 /nfs/dbraw/zinc/70/32/28/494703228.db2.gz BGEZLALDPRDJHP-NRFANRHFSA-N 0 3 357.498 3.196 20 30 FGEDHN C=CCc1cc(CN2CCC(C(=O)N(C)C(C)C)CC2)cc(OC)c1O ZINC000091952460 494731842 /nfs/dbraw/zinc/73/18/42/494731842.db2.gz SBYPFYARFFFTKW-UHFFFAOYSA-N 0 3 360.498 3.208 20 30 FGEDHN C=CCc1ccc(OCC(=O)Nc2cccc3c2CCNC3)c(OC)c1 ZINC000568619630 505738397 /nfs/dbraw/zinc/73/83/97/505738397.db2.gz IPCAKSRRURLJQE-UHFFFAOYSA-N 0 3 352.434 3.087 20 30 FGEDHN COc1cc(CN(C)[C@H]2CCOC2)ccc1OCc1cccc(C#N)c1 ZINC000116879057 494866066 /nfs/dbraw/zinc/86/60/66/494866066.db2.gz AJWLAAYNEBQSPQ-IBGZPJMESA-N 0 3 352.434 3.367 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](Cc1ccccc1)c1cccs1 ZINC000116908441 494869447 /nfs/dbraw/zinc/86/94/47/494869447.db2.gz AFMLKHDFUCDENE-GDBMZVCRSA-N 0 3 357.479 3.022 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000132528285 494888100 /nfs/dbraw/zinc/88/81/00/494888100.db2.gz JHYTVTDDAMOKDT-UHFFFAOYSA-N 0 3 367.497 3.259 20 30 FGEDHN C=CCOc1ccc(CN2CCC3(CC2)[C@H](O)C[C@H]3OCC)cc1OC ZINC000093613871 494905607 /nfs/dbraw/zinc/90/56/07/494905607.db2.gz CEBOJWOUPAZBGI-WOJBJXKFSA-N 0 3 361.482 3.012 20 30 FGEDHN N#CC(=C([O-])c1cccc(OC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000122111212 494925576 /nfs/dbraw/zinc/92/55/76/494925576.db2.gz JKLHQHCOPFGVCP-CYBMUJFWSA-N 0 3 364.327 3.393 20 30 FGEDHN N#CC(C(=O)c1cccc(OC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000122111212 494925583 /nfs/dbraw/zinc/92/55/83/494925583.db2.gz JKLHQHCOPFGVCP-CYBMUJFWSA-N 0 3 364.327 3.393 20 30 FGEDHN Cn1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C(C)(C)C)n1 ZINC000093964412 494937947 /nfs/dbraw/zinc/93/79/47/494937947.db2.gz QATUBMPWYOFBML-KRWDZBQOSA-N 0 3 369.488 3.487 20 30 FGEDHN CC(C)OCCCNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397200 495000084 /nfs/dbraw/zinc/00/00/84/495000084.db2.gz IRIPKJGYXYPFIT-QGZVFWFLSA-N 0 3 357.498 3.263 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000118481726 495005369 /nfs/dbraw/zinc/00/53/69/495005369.db2.gz UIKMTCBJUDLXLZ-UHFFFAOYSA-N 0 3 357.498 3.458 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000118481745 495005781 /nfs/dbraw/zinc/00/57/81/495005781.db2.gz FNCMFZRLKWXSRN-AEFFLSMTSA-N 0 3 351.535 3.167 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)CC)CC1 ZINC000127944421 495020619 /nfs/dbraw/zinc/02/06/19/495020619.db2.gz ANNKEMNYWOJDIN-HXUWFJFHSA-N 0 3 359.514 3.010 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000122757936 495026831 /nfs/dbraw/zinc/02/68/31/495026831.db2.gz RRDJJQWMPZQGHE-WBVHZDCISA-N 0 3 371.506 3.330 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000110998231 495029128 /nfs/dbraw/zinc/02/91/28/495029128.db2.gz JFVCZIVYWWJCGP-AWEZNQCLSA-N 0 3 358.511 3.157 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000574372828 505757821 /nfs/dbraw/zinc/75/78/21/505757821.db2.gz TUJREJKDONERHK-XLIONFOSSA-N 0 3 366.486 3.486 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000123142805 495087242 /nfs/dbraw/zinc/08/72/42/495087242.db2.gz OETPMXUXEKLLSO-UWJYYQICSA-N 0 3 363.461 3.258 20 30 FGEDHN C=CCC(CC=C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000123309545 495112733 /nfs/dbraw/zinc/11/27/33/495112733.db2.gz NDTZHODLKSFDKZ-UHFFFAOYSA-N 0 3 355.526 3.209 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)CC1 ZINC000119283592 495133537 /nfs/dbraw/zinc/13/35/37/495133537.db2.gz QDHZJSYUCPVTAO-UHFFFAOYSA-N 0 3 371.525 3.071 20 30 FGEDHN COc1ccc(OC)c([C@@H](C)NCCC(=O)Nc2sccc2C#N)c1 ZINC000102695886 495154680 /nfs/dbraw/zinc/15/46/80/495154680.db2.gz RCKSTRNBLDNXQI-GFCCVEGCSA-N 0 3 359.451 3.316 20 30 FGEDHN N#Cc1ccc2ncc(CNCCc3nc(-c4ccccn4)cs3)n2c1 ZINC000123955646 495212260 /nfs/dbraw/zinc/21/22/60/495212260.db2.gz HBOBSZLPEQZNEA-UHFFFAOYSA-N 0 3 360.446 3.057 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000119780809 495240192 /nfs/dbraw/zinc/24/01/92/495240192.db2.gz FPCPRWLJNLOAHS-QAPCUYQASA-N 0 3 373.497 3.266 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CC(C)(C)OC2(C)C)c1C ZINC000119827150 495249796 /nfs/dbraw/zinc/24/97/96/495249796.db2.gz KWUFBOGZWWALRD-GOSISDBHSA-N 0 3 357.498 3.486 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000120191319 495324966 /nfs/dbraw/zinc/32/49/66/495324966.db2.gz DBMJLMQQIBKKGN-UHFFFAOYSA-N 0 3 353.413 3.493 20 30 FGEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CSCCN(C)C)c1C#N ZINC000120250786 495335792 /nfs/dbraw/zinc/33/57/92/495335792.db2.gz OMYGKGURDUHNMY-UHFFFAOYSA-N 0 3 374.485 3.338 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OC)c2OC(F)F)CC1 ZINC000106037412 495405880 /nfs/dbraw/zinc/40/58/80/495405880.db2.gz CZRWELXVWVSQNS-UHFFFAOYSA-N 0 3 354.397 3.067 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000106035691 495406224 /nfs/dbraw/zinc/40/62/24/495406224.db2.gz BEPLGGANXUWABU-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN CCN1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000114676532 495407912 /nfs/dbraw/zinc/40/79/12/495407912.db2.gz HYZZMYLOVQVBOI-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN CSC[C@@](C)(O)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000120654188 495428030 /nfs/dbraw/zinc/42/80/30/495428030.db2.gz WOMDTKIMFOLTSK-FQEVSTJZSA-N 0 3 356.491 3.341 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)COc2ccc(F)cc2F)CC1 ZINC000106266324 495440787 /nfs/dbraw/zinc/44/07/87/495440787.db2.gz LOVWKUUEWTXCNH-AWEZNQCLSA-N 0 3 367.440 3.072 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000106328018 495445194 /nfs/dbraw/zinc/44/51/94/495445194.db2.gz VBGYJDNYDWMQNU-IBGZPJMESA-N 0 3 374.529 3.146 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125480208 495451197 /nfs/dbraw/zinc/45/11/97/495451197.db2.gz LJZXOZFKJMUSBL-UHFFFAOYSA-N 0 3 358.408 3.033 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115321354 495490360 /nfs/dbraw/zinc/49/03/60/495490360.db2.gz GVMCNLOMWLZHJM-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000141772581 495510349 /nfs/dbraw/zinc/51/03/49/495510349.db2.gz YGDZHXKEPPJETO-IBGZPJMESA-N 0 3 368.525 3.272 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000185353496 495543894 /nfs/dbraw/zinc/54/38/94/495543894.db2.gz PVVAOYUQXYILLW-WOJBJXKFSA-N 0 3 370.541 3.045 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@H](C3OCCO3)C2)c(-c2ccccc2)n1 ZINC000179366913 495562966 /nfs/dbraw/zinc/56/29/66/495562966.db2.gz VFAISOXQTBVGGI-GOSISDBHSA-N 0 3 366.465 3.049 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(Cc3ccc(C)cc3)n2)CC1 ZINC000179376705 495566952 /nfs/dbraw/zinc/56/69/52/495566952.db2.gz ZXWFQADSODAWNC-UHFFFAOYSA-N 0 3 355.507 3.423 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 ZINC000176322077 495599857 /nfs/dbraw/zinc/59/98/57/495599857.db2.gz SIJIKCFERIOQJS-UHFFFAOYSA-N 0 3 351.450 3.016 20 30 FGEDHN COc1ccccc1N1CC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000154407047 495606696 /nfs/dbraw/zinc/60/66/96/495606696.db2.gz RHFMJABFTPZIGX-SJLPKXTDSA-N 0 3 351.450 3.355 20 30 FGEDHN CCN(CC)C(=O)CCC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000182542536 495607074 /nfs/dbraw/zinc/60/70/74/495607074.db2.gz GFELWZVIGKLWGF-UHFFFAOYSA-N 0 3 357.498 3.427 20 30 FGEDHN Cc1cc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc(C#N)n1 ZINC000580594808 505793100 /nfs/dbraw/zinc/79/31/00/505793100.db2.gz YGMUXNYEDPKJRH-MRXNPFEDSA-N 0 3 360.383 3.389 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000176595739 495713013 /nfs/dbraw/zinc/71/30/13/495713013.db2.gz CRQWBASWPKGIQD-DNVCBOLYSA-N 0 3 366.440 3.160 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000176595722 495713190 /nfs/dbraw/zinc/71/31/90/495713190.db2.gz CRQWBASWPKGIQD-KXBFYZLASA-N 0 3 366.440 3.160 20 30 FGEDHN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCOCC1 ZINC000179838644 495754079 /nfs/dbraw/zinc/75/40/79/495754079.db2.gz BJZMNAFAQBEHGN-CYBMUJFWSA-N 0 3 361.511 3.232 20 30 FGEDHN C=CC[C@H](CO)NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000182910808 495754532 /nfs/dbraw/zinc/75/45/32/495754532.db2.gz XWPRSIAYDOAKNS-HXUWFJFHSA-N 0 3 367.493 3.151 20 30 FGEDHN C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCC(C)CC1 ZINC000171321024 495820553 /nfs/dbraw/zinc/82/05/53/495820553.db2.gz SMSYKSDXZHWLEJ-KRWDZBQOSA-N 0 3 354.498 3.353 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000155167908 495860007 /nfs/dbraw/zinc/86/00/07/495860007.db2.gz HNPXMPRAXULECO-UHFFFAOYSA-N 0 3 359.376 3.166 20 30 FGEDHN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000580683801 505813503 /nfs/dbraw/zinc/81/35/03/505813503.db2.gz SWUSIAGKSSICPS-LJQANCHMSA-N 0 3 364.497 3.146 20 30 FGEDHN N#CCCCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000171500659 495901593 /nfs/dbraw/zinc/90/15/93/495901593.db2.gz ORZOWGWMHVZBJK-QGZVFWFLSA-N 0 3 353.388 3.251 20 30 FGEDHN Cc1sc(NC(=O)CN2CCC[C@@H]2CN2CCCCC2)c(C#N)c1C ZINC000177110827 495929866 /nfs/dbraw/zinc/92/98/66/495929866.db2.gz JQEBFKXEFLRNQZ-MRXNPFEDSA-N 0 3 360.527 3.125 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 ZINC000171581323 495934638 /nfs/dbraw/zinc/93/46/38/495934638.db2.gz JTGSDTIROKIECF-UHFFFAOYSA-N 0 3 370.497 3.085 20 30 FGEDHN CC(C)(C)OC(=O)CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000174431102 495956961 /nfs/dbraw/zinc/95/69/61/495956961.db2.gz PWTBYANDDPRDKP-UHFFFAOYSA-N 0 3 354.454 3.285 20 30 FGEDHN Cc1c(NC2CCN(Cc3ccc(C#N)cc3)CC2)cnn1[C@@H]1CCOC1 ZINC000580694976 505815658 /nfs/dbraw/zinc/81/56/58/505815658.db2.gz BVCBKQWVQAWBQM-HXUWFJFHSA-N 0 3 365.481 3.101 20 30 FGEDHN COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C1CC1 ZINC000183456558 495991988 /nfs/dbraw/zinc/99/19/88/495991988.db2.gz DMYLIHFCKLXBCU-LJQANCHMSA-N 0 3 372.513 3.435 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000171715425 496003502 /nfs/dbraw/zinc/00/35/02/496003502.db2.gz NARSKHWXDCUSSI-UHFFFAOYSA-N 0 3 356.388 3.284 20 30 FGEDHN C=CCN1CCC(NC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000171718522 496004937 /nfs/dbraw/zinc/00/49/37/496004937.db2.gz UQYGCAHVICVFOE-UHFFFAOYSA-N 0 3 362.271 3.311 20 30 FGEDHN CN(C(=O)CNc1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000160624701 496005932 /nfs/dbraw/zinc/00/59/32/496005932.db2.gz YOAOBSUXGATOLI-UHFFFAOYSA-N 0 3 362.477 3.093 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cn(CCOC)c3ccccc23)CC1 ZINC000171728136 496010057 /nfs/dbraw/zinc/01/00/57/496010057.db2.gz FIXWADBVNBLNTI-UHFFFAOYSA-N 0 3 355.482 3.058 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC2(c3cccc(OC)c3)CCCC2)CC1 ZINC000171764749 496026626 /nfs/dbraw/zinc/02/66/26/496026626.db2.gz WECQGWMQBCTSBR-UHFFFAOYSA-N 0 3 371.525 3.457 20 30 FGEDHN COc1ccc(OC)c([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000174666473 496053043 /nfs/dbraw/zinc/05/30/43/496053043.db2.gz SNNPMQSQGTZSSI-CQSZACIVSA-N 0 3 353.422 3.255 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(CC#N)cc1)c1ccco1 ZINC000574633655 505820335 /nfs/dbraw/zinc/82/03/35/505820335.db2.gz FVYJIBKWEITPFN-YJBOKZPZSA-N 0 3 354.454 3.274 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(CC#N)cc1)c1ccco1 ZINC000574633654 505820348 /nfs/dbraw/zinc/82/03/48/505820348.db2.gz FVYJIBKWEITPFN-QAPCUYQASA-N 0 3 354.454 3.274 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@H]2CCCOC2)c1C ZINC000574634109 505820578 /nfs/dbraw/zinc/82/05/78/505820578.db2.gz JHJWMHCWXMPFAX-PZJWPPBQSA-N 0 3 369.509 3.441 20 30 FGEDHN CC[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000180624754 496074082 /nfs/dbraw/zinc/07/40/82/496074082.db2.gz NGBFBDBMFILRDZ-OAHLLOKOSA-N 0 3 371.462 3.460 20 30 FGEDHN CC(C)CN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000171915405 496090584 /nfs/dbraw/zinc/09/05/84/496090584.db2.gz XVWUEEWGNPAXGI-UHFFFAOYSA-N 0 3 351.498 3.237 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)NCc2ccc(CC#N)cc2)cc1 ZINC000568982101 505823449 /nfs/dbraw/zinc/82/34/49/505823449.db2.gz GATYZEHJAVRKCE-HXUWFJFHSA-N 0 3 350.466 3.375 20 30 FGEDHN C=CCOc1ccc(CN(Cc2cc(=O)n3nccc3[nH]2)C(C)(C)C)cc1 ZINC000177848371 496222016 /nfs/dbraw/zinc/22/20/16/496222016.db2.gz YTHCQCDESRHRCD-UHFFFAOYSA-N 0 3 366.465 3.388 20 30 FGEDHN CN(C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000152759396 496247663 /nfs/dbraw/zinc/24/76/63/496247663.db2.gz BTSCZBVZVJPBAK-IBGZPJMESA-N 0 3 351.450 3.135 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CC1 ZINC000181034397 496247824 /nfs/dbraw/zinc/24/78/24/496247824.db2.gz QFKNGNCEWYRTEL-OALUTQOASA-N 0 3 351.535 3.310 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1Cl ZINC000172312297 496249813 /nfs/dbraw/zinc/24/98/13/496249813.db2.gz MIPHMBSUVOQMHQ-UHFFFAOYSA-N 0 3 357.841 3.333 20 30 FGEDHN C[C@H]1CN(CC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177916308 496250722 /nfs/dbraw/zinc/25/07/22/496250722.db2.gz JETOIOMXAWSCPE-GJZGRUSLSA-N 0 3 374.460 3.050 20 30 FGEDHN N#Cc1ccc(OCCN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178046574 496303432 /nfs/dbraw/zinc/30/34/32/496303432.db2.gz RGEVXNCEULHBNE-LJQANCHMSA-N 0 3 363.461 3.079 20 30 FGEDHN Cc1ccc2ncc(CN[C@H]3CCCN(c4ccc(C#N)cc4F)C3)n2c1 ZINC000156662338 496305015 /nfs/dbraw/zinc/30/50/15/496305015.db2.gz AESVAZMBRRCPEL-KRWDZBQOSA-N 0 3 363.440 3.412 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1ccc(O)c(OC)c1 ZINC000152968764 496310801 /nfs/dbraw/zinc/31/08/01/496310801.db2.gz IVBVJSHUZXLXBC-GOSISDBHSA-N 0 3 357.450 3.001 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000184303415 496327907 /nfs/dbraw/zinc/32/79/07/496327907.db2.gz CZDZPEWVQSFABU-INIZCTEOSA-N 0 3 356.470 3.460 20 30 FGEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccncc1 ZINC000175324294 496339894 /nfs/dbraw/zinc/33/98/94/496339894.db2.gz UUHNXNCPXCFKKB-HXUWFJFHSA-N 0 3 365.481 3.178 20 30 FGEDHN C[C@H](NC(=O)CSc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000187256664 496363634 /nfs/dbraw/zinc/36/36/34/496363634.db2.gz KMJGAXXVWZZOJA-MGPUTAFESA-N 0 3 353.491 3.458 20 30 FGEDHN COc1c(Br)cccc1CNCCOc1ccc(C#N)cc1 ZINC000187267525 496369411 /nfs/dbraw/zinc/36/94/11/496369411.db2.gz BBMXPYXSJJMDDH-UHFFFAOYSA-N 0 3 361.239 3.498 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3nc(N(C)C)oc3c2)CC1 ZINC000162720502 496401960 /nfs/dbraw/zinc/40/19/60/496401960.db2.gz IULCZYFWEBHAIW-UHFFFAOYSA-N 0 3 357.458 3.056 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC)CC1 ZINC000184696079 496497133 /nfs/dbraw/zinc/49/71/33/496497133.db2.gz QTJQZCMGFBMGNW-UHFFFAOYSA-N 0 3 370.497 3.148 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184765847 496522336 /nfs/dbraw/zinc/52/23/36/496522336.db2.gz DLNQLUGQEQLBDE-QGZVFWFLSA-N 0 3 359.470 3.320 20 30 FGEDHN CN(C)CCn1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n1 ZINC000157694276 496531707 /nfs/dbraw/zinc/53/17/07/496531707.db2.gz IXYOTJOTUZCBKO-UHFFFAOYSA-N 0 3 374.448 3.312 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000163571920 496534018 /nfs/dbraw/zinc/53/40/18/496534018.db2.gz ANPJUBJKQDMPJC-UHFFFAOYSA-N 0 3 357.404 3.477 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C[C@@H](C)C(=O)OC)cc2)CC1 ZINC000184860156 496560897 /nfs/dbraw/zinc/56/08/97/496560897.db2.gz FRYGDJBDGBPPGV-MRXNPFEDSA-N 0 3 373.497 3.200 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)CNc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000164395703 496609946 /nfs/dbraw/zinc/60/99/46/496609946.db2.gz LWHQKKNHBXOGDO-UTKZUKDTSA-N 0 3 362.477 3.139 20 30 FGEDHN COc1cc(OC)cc(OCCN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182020386 496637749 /nfs/dbraw/zinc/63/77/49/496637749.db2.gz OEIDFUUOTUQWOC-OAHLLOKOSA-N 0 3 356.422 3.336 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(F)cc1Cl ZINC000158163525 496641739 /nfs/dbraw/zinc/64/17/39/496641739.db2.gz VQUIPYZAKHJACO-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000173360029 496657933 /nfs/dbraw/zinc/65/79/33/496657933.db2.gz KVXMXEVJSHXYII-QGZVFWFLSA-N 0 3 354.458 3.001 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176056212 496662909 /nfs/dbraw/zinc/66/29/09/496662909.db2.gz DICPRIHJZBQVLP-UHFFFAOYSA-N 0 3 371.506 3.271 20 30 FGEDHN N#Cc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000194883250 496746551 /nfs/dbraw/zinc/74/65/51/496746551.db2.gz KUZOTBCCALGJTH-SFHVURJKSA-N 0 3 353.491 3.191 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000571994269 505865222 /nfs/dbraw/zinc/86/52/22/505865222.db2.gz WIBQQOJISVMGIX-WKILWMFISA-N 0 3 358.438 3.007 20 30 FGEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000263990186 496782136 /nfs/dbraw/zinc/78/21/36/496782136.db2.gz JNRNSZAKHCTSLD-MRXNPFEDSA-N 0 3 362.477 3.406 20 30 FGEDHN Cc1cc(C(C)(C)NCC(=O)NC2(C#N)CCC2)ccc1Br ZINC000580920275 505868344 /nfs/dbraw/zinc/86/83/44/505868344.db2.gz CTFJWLDFBFGBRV-UHFFFAOYSA-N 0 3 364.287 3.145 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(OCC#N)c2)c1 ZINC000264200591 496835958 /nfs/dbraw/zinc/83/59/58/496835958.db2.gz QGSOAMZGAXSFLA-UHFFFAOYSA-N 0 3 366.465 3.493 20 30 FGEDHN CCCC[C@H](ON=C(C)C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000273686497 496874266 /nfs/dbraw/zinc/87/42/66/496874266.db2.gz ZLGDTRVNTWWFPF-IBGZPJMESA-N 0 3 360.502 3.385 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000188740272 496893341 /nfs/dbraw/zinc/89/33/41/496893341.db2.gz RZXAPEQTZXELMU-SFHVURJKSA-N 0 3 354.560 3.083 20 30 FGEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000269440261 496947816 /nfs/dbraw/zinc/94/78/16/496947816.db2.gz NMWAWQSYUMTPRF-OLMNPRSZSA-N 0 3 359.470 3.232 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000195650954 496957794 /nfs/dbraw/zinc/95/77/94/496957794.db2.gz WJXYIMKFZIKLKI-AWEZNQCLSA-N 0 3 363.889 3.142 20 30 FGEDHN COc1cccc([C@@H](O)CNCc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000264717116 496970908 /nfs/dbraw/zinc/97/09/08/496970908.db2.gz DITGANHPYSLLST-IBGZPJMESA-N 0 3 370.449 3.210 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 ZINC000192061248 496981184 /nfs/dbraw/zinc/98/11/84/496981184.db2.gz LAKPKXIHIOXJPX-CALCHBBNSA-N 0 3 359.489 3.409 20 30 FGEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(OCC#N)cc1 ZINC000189046909 496991380 /nfs/dbraw/zinc/99/13/80/496991380.db2.gz NEMYEERFZWBVSN-MGPUTAFESA-N 0 3 367.424 3.180 20 30 FGEDHN CCNC(=O)COc1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 ZINC000278220419 497041943 /nfs/dbraw/zinc/04/19/43/497041943.db2.gz IVSVNYXDNBMGIP-HXUWFJFHSA-N 0 3 351.450 3.314 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000248741217 497095227 /nfs/dbraw/zinc/09/52/27/497095227.db2.gz AAZDXWVUSQQDJD-FVQBIDKESA-N 0 3 365.399 3.478 20 30 FGEDHN C[C@@H](O)CN(C1CCCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248769927 497101719 /nfs/dbraw/zinc/10/17/19/497101719.db2.gz SJDJUWMDXUWQTC-UZLBHIALSA-N 0 3 355.482 3.069 20 30 FGEDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)N(C)C)cc1OC ZINC000189407146 497108375 /nfs/dbraw/zinc/10/83/75/497108375.db2.gz XIPAMWHNWAWKJA-KRWDZBQOSA-N 0 3 370.409 3.198 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)CC1 ZINC000265630385 497151735 /nfs/dbraw/zinc/15/17/35/497151735.db2.gz SMCPSWKKXTWOST-INIZCTEOSA-N 0 3 352.482 3.140 20 30 FGEDHN C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CCN1CC(C)(C)O ZINC000581008461 505889661 /nfs/dbraw/zinc/88/96/61/505889661.db2.gz IKTBCPGWLBUMSE-CYBMUJFWSA-N 0 3 358.873 3.041 20 30 FGEDHN Cn1ncc(C(=O)Nc2ccc(SCCN3CCCCC3)cc2)c1C#N ZINC000578238968 505895399 /nfs/dbraw/zinc/89/53/99/505895399.db2.gz OSXATMRIVDAKDX-UHFFFAOYSA-N 0 3 369.494 3.122 20 30 FGEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000271204839 497289022 /nfs/dbraw/zinc/28/90/22/497289022.db2.gz VSDLRGOZWLMAEY-KRWDZBQOSA-N 0 3 372.465 3.153 20 30 FGEDHN COc1ccc([C@@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000193348329 497357063 /nfs/dbraw/zinc/35/70/63/497357063.db2.gz AXNFBWGHSARUJN-KXBFYZLASA-N 0 3 355.482 3.467 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(/C=C\c3ccco3)s2)CC1 ZINC000255514422 497368200 /nfs/dbraw/zinc/36/82/00/497368200.db2.gz XCBJCINKMZHSLF-WAYWQWQTSA-N 0 3 373.482 3.464 20 30 FGEDHN C#CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000271691026 497420751 /nfs/dbraw/zinc/42/07/51/497420751.db2.gz KINWUNLWCYLKPT-QGZVFWFLSA-N 0 3 367.405 3.286 20 30 FGEDHN CCCOCc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279440773 497440202 /nfs/dbraw/zinc/44/02/02/497440202.db2.gz YOMOQCQCSDIDNJ-NRFANRHFSA-N 0 3 361.445 3.484 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1O ZINC000245570510 497460555 /nfs/dbraw/zinc/46/05/55/497460555.db2.gz XCSGLZFFIOJHPR-ABSDTBQOSA-N 0 3 374.525 3.203 20 30 FGEDHN COc1ccc(CN[C@H](CO)Cc2cccc(C)c2)cc1OCCCC#N ZINC000276069905 497493083 /nfs/dbraw/zinc/49/30/83/497493083.db2.gz LUXMWJGGJFYDTF-FQEVSTJZSA-N 0 3 368.477 3.379 20 30 FGEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190615306 497546772 /nfs/dbraw/zinc/54/67/72/497546772.db2.gz BVDJSUHDSUELDM-JTSKRJEESA-N 0 3 373.456 3.022 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000279951784 497599638 /nfs/dbraw/zinc/59/96/38/497599638.db2.gz HSBSWHVOOOILOX-HBMCJLEFSA-N 0 3 359.429 3.135 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000246062127 497608245 /nfs/dbraw/zinc/60/82/45/497608245.db2.gz CQODSIMIRHJDTO-WOJBJXKFSA-N 0 3 373.460 3.256 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000280108233 497651270 /nfs/dbraw/zinc/65/12/70/497651270.db2.gz TURZNFBLDXUXCE-MOPGFXCFSA-N 0 3 351.450 3.239 20 30 FGEDHN Cc1cnc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)s1 ZINC000280118251 497654357 /nfs/dbraw/zinc/65/43/57/497654357.db2.gz ULIUYGDXEAZALZ-SFHVURJKSA-N 0 3 364.474 3.412 20 30 FGEDHN COc1cccc(C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280273916 497705121 /nfs/dbraw/zinc/70/51/21/497705121.db2.gz YLLYKIGONDQAJA-GOSISDBHSA-N 0 3 361.445 3.343 20 30 FGEDHN CC[C@@H]1C[C@@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272707933 497708954 /nfs/dbraw/zinc/70/89/54/497708954.db2.gz HSUGPVMFWDHSSG-VQTJNVASSA-N 0 3 357.498 3.044 20 30 FGEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000280313431 497716456 /nfs/dbraw/zinc/71/64/56/497716456.db2.gz GGGLUCSNAGCIPI-IEBWSBKVSA-N 0 3 367.836 3.398 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246408766 497723795 /nfs/dbraw/zinc/72/37/95/497723795.db2.gz BWADYBDWYRDDFL-IAGOWNOFSA-N 0 3 356.422 3.127 20 30 FGEDHN CCC(CC)c1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)on1 ZINC000280406496 497743714 /nfs/dbraw/zinc/74/37/14/497743714.db2.gz LFMXIWHPXOYQKE-QGZVFWFLSA-N 0 3 350.422 3.449 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000194722323 497749684 /nfs/dbraw/zinc/74/96/84/497749684.db2.gz JLUQHGBCMFBOEF-NRFANRHFSA-N 0 3 365.477 3.309 20 30 FGEDHN N#Cc1ccnc(NC[C@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000268474514 497760234 /nfs/dbraw/zinc/76/02/34/497760234.db2.gz KBPDMYAWGZJZJG-CYBMUJFWSA-N 0 3 357.439 3.247 20 30 FGEDHN N#Cc1ccc(CC(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 ZINC000194757073 497761508 /nfs/dbraw/zinc/76/15/08/497761508.db2.gz CCHYLZQOLIPMIK-UHFFFAOYSA-N 0 3 374.488 3.271 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCN1Cc1ccccc1 ZINC000329542498 497824605 /nfs/dbraw/zinc/82/46/05/497824605.db2.gz NSPBOAPSORTPPX-HKUYMTLNSA-N 0 3 369.509 3.111 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000284565793 497831432 /nfs/dbraw/zinc/83/14/32/497831432.db2.gz HQAQKAZTWUMBME-FOIQADDNSA-N 0 3 366.465 3.230 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329572083 497832873 /nfs/dbraw/zinc/83/28/73/497832873.db2.gz MXIXNPAXASZPLZ-WPPQDWHVSA-N 0 3 360.454 3.228 20 30 FGEDHN CC(C(=O)N[C@@H]1CCCCC12CCCC2)S(=O)(=O)C1CCOCC1 ZINC000329581022 497834999 /nfs/dbraw/zinc/83/49/99/497834999.db2.gz AAZPJAJPURDRHM-GDBMZVCRSA-N 0 3 357.516 3.428 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CN1C1CC1 ZINC000329633080 497852930 /nfs/dbraw/zinc/85/29/30/497852930.db2.gz WZGKOKKRHHDOJA-DZBHQSCQSA-N 0 3 369.513 3.196 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(CCOCC2)[C@@H]1C ZINC000329697248 497872910 /nfs/dbraw/zinc/87/29/10/497872910.db2.gz YFFKPWMSMWUJRO-GJZGRUSLSA-N 0 3 360.454 3.325 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000329701504 497874885 /nfs/dbraw/zinc/87/48/85/497874885.db2.gz HKIFPQMKUCTJMB-XLIONFOSSA-N 0 3 371.525 3.459 20 30 FGEDHN CC[C@H](C)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000295982369 497878675 /nfs/dbraw/zinc/87/86/75/497878675.db2.gz JIRLVUIMHOZNEB-RBUKOAKNSA-N 0 3 356.514 3.046 20 30 FGEDHN COc1cc(C#N)ccc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288773569 497895485 /nfs/dbraw/zinc/89/54/85/497895485.db2.gz JUUARXVWHSLFOR-OAQYLSRUSA-N 0 3 354.425 3.133 20 30 FGEDHN COc1ccc(OC)c([C@@H](C)NCCC(=O)Nc2ccccc2C#N)c1 ZINC000299703459 497900376 /nfs/dbraw/zinc/90/03/76/497900376.db2.gz PGONQQKRGCMYJU-CQSZACIVSA-N 0 3 353.422 3.255 20 30 FGEDHN CC[C@H](C)N1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000296096841 497919578 /nfs/dbraw/zinc/91/95/78/497919578.db2.gz PWJXNQOUHBKACH-INIZCTEOSA-N 0 3 362.905 3.003 20 30 FGEDHN CC(C)N1CCC[C@H](NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C1 ZINC000329896959 497944372 /nfs/dbraw/zinc/94/43/72/497944372.db2.gz CSPMRKCOPCAXGV-GJZGRUSLSA-N 0 3 355.548 3.153 20 30 FGEDHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000329905343 497946292 /nfs/dbraw/zinc/94/62/92/497946292.db2.gz JNKWWIKTIMTKMQ-IBGZPJMESA-N 0 3 367.497 3.190 20 30 FGEDHN COc1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1C#N ZINC000288956166 497958468 /nfs/dbraw/zinc/95/84/68/497958468.db2.gz XWXCZWRSQGBVBY-NRFANRHFSA-N 0 3 354.425 3.133 20 30 FGEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000329944839 497963790 /nfs/dbraw/zinc/96/37/90/497963790.db2.gz WYABBGYEECGHSC-UHFFFAOYSA-N 0 3 374.529 3.142 20 30 FGEDHN COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCCN3C3CC3)CC2=O)cc1 ZINC000329970403 497974767 /nfs/dbraw/zinc/97/47/67/497974767.db2.gz XECBENWXCPOKRQ-CRAIPNDOSA-N 0 3 371.481 3.022 20 30 FGEDHN Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000329977592 497977343 /nfs/dbraw/zinc/97/73/43/497977343.db2.gz GGSBDFJVUXTZTC-JLSDUUJJSA-N 0 3 366.481 3.116 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000281000387 497983198 /nfs/dbraw/zinc/98/31/98/497983198.db2.gz FXJSAESVIFHVSI-UHFFFAOYSA-N 0 3 352.438 3.233 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@H]2[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000285062425 497983902 /nfs/dbraw/zinc/98/39/02/497983902.db2.gz LQJZHJWEDYZRAK-RTBURBONSA-N 0 3 351.454 3.002 20 30 FGEDHN COc1ccc(CN2CCCN(c3ccc(Cl)c(C#N)n3)CC2)cc1 ZINC000301187363 497991034 /nfs/dbraw/zinc/99/10/34/497991034.db2.gz SYPVVPUPEAQXSF-UHFFFAOYSA-N 0 3 356.857 3.328 20 30 FGEDHN N#CC1(CS(=O)(=O)NC2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000330013847 497992223 /nfs/dbraw/zinc/99/22/23/497992223.db2.gz MNWNDUBZGWYUIA-UHFFFAOYSA-N 0 3 367.559 3.177 20 30 FGEDHN CC(C(=O)N[C@H](c1ccccc1)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000330051854 498005032 /nfs/dbraw/zinc/00/50/32/498005032.db2.gz ODBZYLISOZULFN-CXAGYDPISA-N 0 3 351.468 3.077 20 30 FGEDHN O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)N1CCN2CCC[C@@H]2C1 ZINC000330188753 498054456 /nfs/dbraw/zinc/05/44/56/498054456.db2.gz LJFUMDLDSZZYEU-CQSZACIVSA-N 0 3 374.391 3.478 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](n3cc4ccccc4n3)C2)CC1 ZINC000364696909 498095456 /nfs/dbraw/zinc/09/54/56/498095456.db2.gz MXPUNZUDZROHII-IBGZPJMESA-N 0 3 367.497 3.033 20 30 FGEDHN Cn1c2ccc(NC(=O)[C@H]3CCCCN3C3CCCC3)cc2n(C)c1=O ZINC000330294427 498095994 /nfs/dbraw/zinc/09/59/94/498095994.db2.gz INQAJWYLWVSACF-QGZVFWFLSA-N 0 3 356.470 3.262 20 30 FGEDHN Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC000330324887 498105603 /nfs/dbraw/zinc/10/56/03/498105603.db2.gz IVEFXUZLRMNTDS-KRWDZBQOSA-N 0 3 354.458 3.262 20 30 FGEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C1 ZINC000330417997 498129902 /nfs/dbraw/zinc/12/99/02/498129902.db2.gz WBXNKHPQQKIJFW-MLGOLLRUSA-N 0 3 366.893 3.480 20 30 FGEDHN COCCN1CCC(NC(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000330629427 498162408 /nfs/dbraw/zinc/16/24/08/498162408.db2.gz AWJMANJBRTYHLH-UHFFFAOYSA-N 0 3 366.314 3.169 20 30 FGEDHN CC[C@H](CC#N)N[C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000364841990 498169237 /nfs/dbraw/zinc/16/92/37/498169237.db2.gz TWHIVXWWVPDPCE-VQHPVUNQSA-N 0 3 351.491 3.073 20 30 FGEDHN COc1ccc(OC(C)C)c(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000330714824 498180203 /nfs/dbraw/zinc/18/02/03/498180203.db2.gz SGSLOPTXVKHIOG-RDJZCZTQSA-N 0 3 367.515 3.005 20 30 FGEDHN COc1cc(CNCc2cccc(CN3CCO[C@@H](C)C3)c2)ccc1C#N ZINC000281598826 498206858 /nfs/dbraw/zinc/20/68/58/498206858.db2.gz FRCPCRSTOFALER-KRWDZBQOSA-N 0 3 365.477 3.077 20 30 FGEDHN N#Cc1ccnc(NCC2(N3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000301658860 498210454 /nfs/dbraw/zinc/21/04/54/498210454.db2.gz MAOAAAHIUSEIRZ-UHFFFAOYSA-N 0 3 361.471 3.025 20 30 FGEDHN CC(=O)Nc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000330990776 498231811 /nfs/dbraw/zinc/23/18/11/498231811.db2.gz KKKDNSRNKBENJB-IINYFYTJSA-N 0 3 357.376 3.451 20 30 FGEDHN COc1cc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1OC(C)C ZINC000331006773 498235905 /nfs/dbraw/zinc/23/59/05/498235905.db2.gz SQTIFTLDMDKMCI-RHSMWYFYSA-N 0 3 367.515 3.005 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CN(CC(F)F)C3)CC1 ZINC000296901005 498244191 /nfs/dbraw/zinc/24/41/91/498244191.db2.gz DNDJJGLLILYCJY-UHFFFAOYSA-N 0 3 364.440 3.039 20 30 FGEDHN Cc1sc(NC(=O)CN[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c(C#N)c1C ZINC000331188258 498271815 /nfs/dbraw/zinc/27/18/15/498271815.db2.gz JNDOBIOPZAMIOE-HXPMCKFVSA-N 0 3 363.527 3.342 20 30 FGEDHN CCOc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000331283039 498292101 /nfs/dbraw/zinc/29/21/01/498292101.db2.gz JXHMBZJHSLOJDZ-HLLBOEOZSA-N 0 3 363.502 3.341 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncoc2-c2ccccc2)cc1 ZINC000365105612 498298727 /nfs/dbraw/zinc/29/87/27/498298727.db2.gz ASEAYIHNUBZRQB-GOSISDBHSA-N 0 3 356.385 3.212 20 30 FGEDHN Cn1cc(CN[C@@H]2CCN(C3CC3)[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000365129831 498312948 /nfs/dbraw/zinc/31/29/48/498312948.db2.gz DHBJUXPRLWTDQE-WOJBJXKFSA-N 0 3 356.420 3.243 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000331423505 498328185 /nfs/dbraw/zinc/32/81/85/498328185.db2.gz RWWWOPLZLXYKDW-XUVXKRRUSA-N 0 3 369.509 3.270 20 30 FGEDHN C=CCC(F)(F)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000293359466 498358143 /nfs/dbraw/zinc/35/81/43/498358143.db2.gz UMGGBFZZYSSKQI-UHFFFAOYSA-N 0 3 352.425 3.235 20 30 FGEDHN CCN(CCCC1(C#N)CCOCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000282076654 498378624 /nfs/dbraw/zinc/37/86/24/498378624.db2.gz UAOCRYWPYUYUNV-IBGZPJMESA-N 0 3 355.482 3.214 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CC[C@@H](O)c3ccccc3)CC2)c1 ZINC000286414807 498389816 /nfs/dbraw/zinc/38/98/16/498389816.db2.gz MAVFWZHHLOPICV-OAQYLSRUSA-N 0 3 363.461 3.332 20 30 FGEDHN COc1cc(-c2noc(-c3cc(C#N)oc3C)n2)ccc1OCCN(C)C ZINC000290089793 498424615 /nfs/dbraw/zinc/42/46/15/498424615.db2.gz LJEXJWJSBNRVJM-UHFFFAOYSA-N 0 3 368.393 3.126 20 30 FGEDHN CS(=O)(=O)[C@H]1CCC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000293709842 498463346 /nfs/dbraw/zinc/46/33/46/498463346.db2.gz UOEPFGVJUHONDW-HOTGVXAUSA-N 0 3 359.413 3.002 20 30 FGEDHN C[C@H](NCc1cccc(N2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000293768307 498482364 /nfs/dbraw/zinc/48/23/64/498482364.db2.gz RYHJMMOKCNTGMY-KRWDZBQOSA-N 0 3 351.450 3.276 20 30 FGEDHN C#Cc1ccc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000297670297 498531826 /nfs/dbraw/zinc/53/18/26/498531826.db2.gz OZNKCSKEBUNTCN-UHFFFAOYSA-N 0 3 351.450 3.067 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000302699202 498537364 /nfs/dbraw/zinc/53/73/64/498537364.db2.gz XBVZBYJEDZDZHW-CQSZACIVSA-N 0 3 354.420 3.263 20 30 FGEDHN COc1ccc([C@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1OC ZINC000302818011 498585687 /nfs/dbraw/zinc/58/56/87/498585687.db2.gz CEIHMNKSLRHISE-KRWDZBQOSA-N 0 3 350.422 3.162 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298007789 498635592 /nfs/dbraw/zinc/63/55/92/498635592.db2.gz DPTUXKIMEQKKFP-YSIASYRMSA-N 0 3 369.513 3.160 20 30 FGEDHN C=CCN(Cc1nnc(C(C)C)n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363185097 498692669 /nfs/dbraw/zinc/69/26/69/498692669.db2.gz PFDOUPYGRUJDBZ-LJQANCHMSA-N 0 3 353.514 3.201 20 30 FGEDHN Cc1ccccc1CN1CCCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000363210943 498705916 /nfs/dbraw/zinc/70/59/16/498705916.db2.gz YEYUUPCATAYSHR-UHFFFAOYSA-N 0 3 363.461 3.246 20 30 FGEDHN C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)C1=CCN(C)CC1 ZINC000287339145 498721933 /nfs/dbraw/zinc/72/19/33/498721933.db2.gz WORTVMJJQHPNPL-LLVKDONJSA-N 0 3 363.259 3.093 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000298284913 498722108 /nfs/dbraw/zinc/72/21/08/498722108.db2.gz FFHAONVYWRTBKX-KRWDZBQOSA-N 0 3 361.555 3.211 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C#N)cc1Cl ZINC000366008344 498729742 /nfs/dbraw/zinc/72/97/42/498729742.db2.gz KAFOFGGEBQXPKF-UKRRQHHQSA-N 0 3 368.868 3.240 20 30 FGEDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000366107622 498779191 /nfs/dbraw/zinc/77/91/91/498779191.db2.gz IDHRQVVBHNFFIV-RDJZCZTQSA-N 0 3 354.475 3.311 20 30 FGEDHN C#CCCOc1ccc(C(=O)Nc2ccnn2C2CCN(CC)CC2)cc1 ZINC000294721956 498783688 /nfs/dbraw/zinc/78/36/88/498783688.db2.gz WRABAASSKSHSTP-UHFFFAOYSA-N 0 3 366.465 3.194 20 30 FGEDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000570112885 506093691 /nfs/dbraw/zinc/09/36/91/506093691.db2.gz KBKIXULXIKNRCM-DNVCBOLYSA-N 0 3 352.434 3.077 20 30 FGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000323705748 498822887 /nfs/dbraw/zinc/82/28/87/498822887.db2.gz UUUAUSNQMZHIOI-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000328612443 498874719 /nfs/dbraw/zinc/87/47/19/498874719.db2.gz PKNOZIZGLINILQ-KRWDZBQOSA-N 0 3 351.535 3.351 20 30 FGEDHN C[C@](O)(CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000328746314 498924280 /nfs/dbraw/zinc/92/42/80/498924280.db2.gz AMFDNDVGNOIJCT-IBGZPJMESA-N 0 3 352.519 3.308 20 30 FGEDHN CN1CCC(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2Cc2ccccc2)CC1 ZINC000328754874 498927515 /nfs/dbraw/zinc/92/75/15/498927515.db2.gz SQOGHTRLVYPANT-ICSRJNTNSA-N 0 3 368.481 3.060 20 30 FGEDHN Cn1ccnc1Sc1ncc(C(=O)NC2CCN(C)CC2)cc1Cl ZINC000328757466 498927832 /nfs/dbraw/zinc/92/78/32/498927832.db2.gz VAFKASXBUPRZFG-UHFFFAOYSA-N 0 3 365.890 3.019 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000283652946 498947588 /nfs/dbraw/zinc/94/75/88/498947588.db2.gz CPXCPZMNQYLADL-UHFFFAOYSA-N 0 3 352.822 3.410 20 30 FGEDHN C[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363710593 498955442 /nfs/dbraw/zinc/95/54/42/498955442.db2.gz MAPXSTCLBNZIEO-OAHLLOKOSA-N 0 3 369.428 3.412 20 30 FGEDHN Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C2CC2)cc1 ZINC000328843491 498957622 /nfs/dbraw/zinc/95/76/22/498957622.db2.gz UWXQWZCTKCOGMD-HIUFNZKISA-N 0 3 372.509 3.264 20 30 FGEDHN CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 ZINC000328846188 498959162 /nfs/dbraw/zinc/95/91/62/498959162.db2.gz VMHWHIHWZFSPOA-LIRZEXBASA-N 0 3 364.511 3.247 20 30 FGEDHN CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 ZINC000328846190 498959672 /nfs/dbraw/zinc/95/96/72/498959672.db2.gz VMHWHIHWZFSPOA-RUGDWHBFSA-N 0 3 364.511 3.247 20 30 FGEDHN COc1cccc(-c2nc(C)c(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)[nH]2)c1 ZINC000328870093 498968444 /nfs/dbraw/zinc/96/84/44/498968444.db2.gz PKUSGLRIUXZATD-YVEFUNNKSA-N 0 3 354.454 3.181 20 30 FGEDHN CN1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)[C@@H]1c1ccccc1 ZINC000328878078 498970828 /nfs/dbraw/zinc/97/08/28/498970828.db2.gz IWGLRRKRXLPKIP-MHORFTMASA-N 0 3 358.486 3.420 20 30 FGEDHN O=C(NCCc1cnc(C2CC2)nc1)N1CCN(CC2CCCCC2)CC1 ZINC000328883191 498972180 /nfs/dbraw/zinc/97/21/80/498972180.db2.gz XSAIRYMLJYWCPG-UHFFFAOYSA-N 0 3 371.529 3.008 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000579235172 506126213 /nfs/dbraw/zinc/12/62/13/506126213.db2.gz ZAJGAEOHMRPWDI-JXFKEZNVSA-N 0 3 357.498 3.150 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000329000918 499011385 /nfs/dbraw/zinc/01/13/85/499011385.db2.gz LBUKAFWAVXYQRO-JKSUJKDBSA-N 0 3 369.513 3.492 20 30 FGEDHN CC(=O)N1CCC(CCC(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)CC1 ZINC000329010001 499013043 /nfs/dbraw/zinc/01/30/43/499013043.db2.gz HUKFNSVHQHANFM-WOJBJXKFSA-N 0 3 357.498 3.079 20 30 FGEDHN NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)CC2 ZINC000329107370 499043496 /nfs/dbraw/zinc/04/34/96/499043496.db2.gz DVKANRSZTRSRII-RHSMWYFYSA-N 0 3 373.501 3.082 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000363940699 499060162 /nfs/dbraw/zinc/06/01/62/499060162.db2.gz UGZSHTYXFTWPMQ-AEFFLSMTSA-N 0 3 353.470 3.360 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000299464600 499066989 /nfs/dbraw/zinc/06/69/89/499066989.db2.gz SIMKWIYSJVOHDV-GOSISDBHSA-N 0 3 362.420 3.127 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000291806876 499074386 /nfs/dbraw/zinc/07/43/86/499074386.db2.gz ZDNJYHXNGDCFFQ-CYBMUJFWSA-N 0 3 351.288 3.319 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000363998917 499080087 /nfs/dbraw/zinc/08/00/87/499080087.db2.gz LKPPPOPEKYCSCD-UHFFFAOYSA-N 0 3 374.488 3.360 20 30 FGEDHN CN1CC[C@@H](CNC(=O)NCCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000366870781 499100478 /nfs/dbraw/zinc/10/04/78/499100478.db2.gz QXHDERICLIFEGB-HKUYNNGSSA-N 0 3 368.506 3.154 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329334809 499101338 /nfs/dbraw/zinc/10/13/38/499101338.db2.gz KWVYALCIZLZNOM-PKOBYXMFSA-N 0 3 369.513 3.260 20 30 FGEDHN Cc1cc(NC(=O)N2CCN3CCC[C@@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329369454 499111036 /nfs/dbraw/zinc/11/10/36/499111036.db2.gz IHJPXMDVVCIJIL-SJLPKXTDSA-N 0 3 357.502 3.094 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@@H]1CCCCO1 ZINC000329377102 499111192 /nfs/dbraw/zinc/11/11/92/499111192.db2.gz LVJBMCDAJBAEIT-HOJAQTOUSA-N 0 3 359.514 3.360 20 30 FGEDHN COC[C@@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000364148019 499123934 /nfs/dbraw/zinc/12/39/34/499123934.db2.gz IENXBSMKMIUYPQ-IAGOWNOFSA-N 0 3 361.461 3.209 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1C(F)F ZINC000329464890 499125142 /nfs/dbraw/zinc/12/51/42/499125142.db2.gz VFDQROHNWOEFRA-GXTWGEPZSA-N 0 3 355.433 3.048 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3ccncn3)C2)cc1Cl ZINC000372576611 499148430 /nfs/dbraw/zinc/14/84/30/499148430.db2.gz BLPPPWGHIVSUOS-OAHLLOKOSA-N 0 3 369.856 3.210 20 30 FGEDHN CCN1CCC(N(CC(=O)Nc2cc(Cl)ccc2C#N)C2CC2)CC1 ZINC000367177210 499158035 /nfs/dbraw/zinc/15/80/35/499158035.db2.gz WRERJIJSEAMYGN-UHFFFAOYSA-N 0 3 360.889 3.099 20 30 FGEDHN N#Cc1cc(NC[C@H]2CCCN(Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000372796883 499176604 /nfs/dbraw/zinc/17/66/04/499176604.db2.gz AVEKRMOYVXUSRU-MRXNPFEDSA-N 0 3 351.410 3.186 20 30 FGEDHN C=CCOc1cccc(CN2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000370224433 499199209 /nfs/dbraw/zinc/19/92/09/499199209.db2.gz ZYHGNSGRODYZRE-IBGZPJMESA-N 0 3 370.497 3.429 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000367515110 499207950 /nfs/dbraw/zinc/20/79/50/499207950.db2.gz XUYOFFYOMOOMBQ-QFIPXVFZSA-N 0 3 363.436 3.436 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1F ZINC000367629248 499219360 /nfs/dbraw/zinc/21/93/60/499219360.db2.gz BTSPPNGDWXZYQR-VLIAUNLRSA-N 0 3 371.460 3.025 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000367693909 499225234 /nfs/dbraw/zinc/22/52/34/499225234.db2.gz NCLQNODMLVHBBQ-BFYDXBDKSA-N 0 3 358.511 3.496 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000370664168 499241740 /nfs/dbraw/zinc/24/17/40/499241740.db2.gz CCVKLBHVWVGNER-MJGOQNOKSA-N 0 3 363.461 3.462 20 30 FGEDHN C#CCCCN(Cc1cncnc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000368075061 499261598 /nfs/dbraw/zinc/26/15/98/499261598.db2.gz PSOPVVSCHCMXCL-IBGZPJMESA-N 0 3 372.513 3.482 20 30 FGEDHN Cc1cc([C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000371051609 499284060 /nfs/dbraw/zinc/28/40/60/499284060.db2.gz GKANSVVKJNKLAW-OAHLLOKOSA-N 0 3 371.872 3.451 20 30 FGEDHN Cc1cc([C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]n1 ZINC000371051609 499284062 /nfs/dbraw/zinc/28/40/62/499284062.db2.gz GKANSVVKJNKLAW-OAHLLOKOSA-N 0 3 371.872 3.451 20 30 FGEDHN CCCCCCCCCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000371512109 499336802 /nfs/dbraw/zinc/33/68/02/499336802.db2.gz OGENITRJVBUJTE-GOSISDBHSA-N 0 3 351.535 3.068 20 30 FGEDHN Cc1ccc(NC2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000368909105 499345314 /nfs/dbraw/zinc/34/53/14/499345314.db2.gz HAIOAUKGUYEIFL-OAQYLSRUSA-N 0 3 365.477 3.183 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(CCOCC2)[C@H]1C ZINC000371834401 499370068 /nfs/dbraw/zinc/37/00/68/499370068.db2.gz JOQYJNCMHVJNTE-ZWKOTPCHSA-N 0 3 355.482 3.213 20 30 FGEDHN C[C@@H](N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cccc(C#N)c1 ZINC000369222933 499379532 /nfs/dbraw/zinc/37/95/32/499379532.db2.gz AHQXLZRLMOUPGI-OXQOHEQNSA-N 0 3 357.461 3.406 20 30 FGEDHN C[C@H](NC(=O)NC1CCN(C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372005849 499388953 /nfs/dbraw/zinc/38/89/53/499388953.db2.gz DXSDLHNNRCASKY-ZDUSSCGKSA-N 0 3 369.494 3.136 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@H]3CCC[C@H]31)CCCC2 ZINC000369468723 499406040 /nfs/dbraw/zinc/40/60/40/499406040.db2.gz JWCGRJOYXXGQFP-SJORKVTESA-N 0 3 373.522 3.471 20 30 FGEDHN CN1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000369572762 499420601 /nfs/dbraw/zinc/42/06/01/499420601.db2.gz CHYKAYZLIDUJFB-FXAWDEMLSA-N 0 3 353.491 3.362 20 30 FGEDHN C=CCC[C@@H](C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccccc1 ZINC000373285965 499461531 /nfs/dbraw/zinc/46/15/31/499461531.db2.gz QFLQRVPLDQBLFJ-LJQANCHMSA-N 0 3 352.482 3.260 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000373299242 499462194 /nfs/dbraw/zinc/46/21/94/499462194.db2.gz DMGLKUMCTAFXEM-NVXWUHKLSA-N 0 3 360.527 3.466 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCCN(C2CCOCC2)CC1)c1ccccc1 ZINC000373512010 499474278 /nfs/dbraw/zinc/47/42/78/499474278.db2.gz FRASGFVFZHASAY-OAQYLSRUSA-N 0 3 356.510 3.450 20 30 FGEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1ccccc1 ZINC000373601457 499479131 /nfs/dbraw/zinc/47/91/31/499479131.db2.gz OEDXAVPOJOAMMP-AYWYSENESA-N 0 3 356.510 3.352 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000375238089 499497893 /nfs/dbraw/zinc/49/78/93/499497893.db2.gz BOTZOHSELJRGQL-IBGZPJMESA-N 0 3 369.509 3.441 20 30 FGEDHN C=CCc1cc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc(OC)c1O ZINC000375403669 499514724 /nfs/dbraw/zinc/51/47/24/499514724.db2.gz MJPUAVZPSQTTFA-INIZCTEOSA-N 0 3 355.438 3.379 20 30 FGEDHN C[C@H]1C[C@@H](Nc2ncc(C#N)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000379681668 499542861 /nfs/dbraw/zinc/54/28/61/499542861.db2.gz SIUIHIYFTCBXNK-YOEHRIQHSA-N 0 3 351.410 3.326 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](n3cc4ccccc4n3)C2)cc1 ZINC000375682839 499544793 /nfs/dbraw/zinc/54/47/93/499544793.db2.gz LHEFPJIADJFUQQ-VQTJNVASSA-N 0 3 369.428 3.064 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000398005508 499565378 /nfs/dbraw/zinc/56/53/78/499565378.db2.gz ATWSVDDKHBZDMR-KDOFPFPSSA-N 0 3 351.410 3.184 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000376047533 499578718 /nfs/dbraw/zinc/57/87/18/499578718.db2.gz XSGVAVXZTXIVKA-UHFFFAOYSA-N 0 3 367.424 3.079 20 30 FGEDHN C[C@@]1(c2ccccc2)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000376245770 499594215 /nfs/dbraw/zinc/59/42/15/499594215.db2.gz UPPOXONUCOGHKD-KNQAVFIVSA-N 0 3 359.429 3.015 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@H](CC(C)C)N2CCOCC2)cc1 ZINC000582175191 506151938 /nfs/dbraw/zinc/15/19/38/506151938.db2.gz SZICBQINTSKXHX-FPOVZHCZSA-N 0 3 359.514 3.377 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000376628013 499624447 /nfs/dbraw/zinc/62/44/47/499624447.db2.gz IHHYHNGLMDSLCP-AWEZNQCLSA-N 0 3 361.467 3.170 20 30 FGEDHN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)C(C)C#N)c(Br)c1 ZINC000410104021 499642008 /nfs/dbraw/zinc/64/20/08/499642008.db2.gz PQWUQFONOTZHME-UKRRQHHQSA-N 0 3 365.271 3.425 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC000377035388 499655724 /nfs/dbraw/zinc/65/57/24/499655724.db2.gz YSKMDXOFQGXGFT-MOPGFXCFSA-N 0 3 354.498 3.232 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000377151374 499666373 /nfs/dbraw/zinc/66/63/73/499666373.db2.gz CSAKYXXPHPPFDW-HKBOAZHASA-N 0 3 361.445 3.001 20 30 FGEDHN CSCC[C@@](C)(C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410850342 499682091 /nfs/dbraw/zinc/68/20/91/499682091.db2.gz CKPFECDPIWGHRX-JMSVASOKSA-N 0 3 365.465 3.047 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000377841820 499741084 /nfs/dbraw/zinc/74/10/84/499741084.db2.gz FNWOALQAPABSFC-INIZCTEOSA-N 0 3 363.527 3.071 20 30 FGEDHN N#Cc1cc(NC(=O)C23CCCN2CCC3)ccc1OCC(F)(F)F ZINC000414902847 499843293 /nfs/dbraw/zinc/84/32/93/499843293.db2.gz IQUGPDWMHJFRPI-UHFFFAOYSA-N 0 3 353.344 3.066 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)CC1 ZINC000570413996 506163171 /nfs/dbraw/zinc/16/31/71/506163171.db2.gz LLHYQBPNZILZJJ-UHFFFAOYSA-N 0 3 354.502 3.003 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000415398029 499891401 /nfs/dbraw/zinc/89/14/01/499891401.db2.gz WMLGEIFPZCVHLM-IBGZPJMESA-N 0 3 365.477 3.293 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415974762 499935915 /nfs/dbraw/zinc/93/59/15/499935915.db2.gz SDPBWHIYHRGOJQ-SWLSCSKDSA-N 0 3 357.376 3.267 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429143679 500012487 /nfs/dbraw/zinc/01/24/87/500012487.db2.gz RLSAZKCDEZETMC-MRXNPFEDSA-N 0 3 351.903 3.269 20 30 FGEDHN CCC1(CC)[C@H](NCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)[C@H]1OC ZINC000429296967 500046513 /nfs/dbraw/zinc/04/65/13/500046513.db2.gz UHBSWSXUFJGTGY-NSISKUIASA-N 0 3 357.498 3.363 20 30 FGEDHN CN(CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000416687246 500086596 /nfs/dbraw/zinc/08/65/96/500086596.db2.gz OUNTXEDUYIGMAN-NRFANRHFSA-N 0 3 362.477 3.367 20 30 FGEDHN CCN(CCOc1ccccc1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000421658261 500108160 /nfs/dbraw/zinc/10/81/60/500108160.db2.gz RYZGIEIPLRLGRN-FQEVSTJZSA-N 0 3 361.445 3.476 20 30 FGEDHN COc1ccccc1COC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425537306 500137429 /nfs/dbraw/zinc/13/74/29/500137429.db2.gz QMBZVBOQQBQSAC-UZLBHIALSA-N 0 3 354.450 3.137 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000425652274 500171511 /nfs/dbraw/zinc/17/15/11/500171511.db2.gz YRVPYCDSLVEITL-LAUBAEHRSA-N 0 3 364.493 3.434 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)N(C)C)cc1 ZINC000425769799 500196203 /nfs/dbraw/zinc/19/62/03/500196203.db2.gz PEWSARQVXMBECM-DFQSSKMNSA-N 0 3 356.514 3.479 20 30 FGEDHN CC(C)(C)OC(=O)CCN(Cc1cccc(C#N)c1F)C1CCOCC1 ZINC000579469073 506182031 /nfs/dbraw/zinc/18/20/31/506182031.db2.gz RRNCSHIOLZNDQW-UHFFFAOYSA-N 0 3 362.445 3.410 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(C#N)s1)N(C)C ZINC000422211463 500234766 /nfs/dbraw/zinc/23/47/66/500234766.db2.gz WLMDUODOISNANM-KBXCAEBGSA-N 0 3 356.495 3.419 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000430641926 500265586 /nfs/dbraw/zinc/26/55/86/500265586.db2.gz NJSZSFFXCCAOPX-LLVKDONJSA-N 0 3 355.419 3.262 20 30 FGEDHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423033339 500333325 /nfs/dbraw/zinc/33/33/25/500333325.db2.gz OIUCQWRUUWEKHI-GQWLDOHISA-N 0 3 363.461 3.169 20 30 FGEDHN N#CCC1(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000431139024 500340605 /nfs/dbraw/zinc/34/06/05/500340605.db2.gz NIHAYCVGCZHSCB-SFHVURJKSA-N 0 3 365.399 3.251 20 30 FGEDHN C=C(C)CCN[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000419228381 500344794 /nfs/dbraw/zinc/34/47/94/500344794.db2.gz USCSKBDYTXIACF-HXUWFJFHSA-N 0 3 352.434 3.329 20 30 FGEDHN Cc1ncccc1OC[C@@H]1CCCN1CCC(=O)Nc1ccccc1C#N ZINC000419400563 500361726 /nfs/dbraw/zinc/36/17/26/500361726.db2.gz MQGBRFDQQYZUDI-SFHVURJKSA-N 0 3 364.449 3.134 20 30 FGEDHN COc1ccc(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)cc1Cl ZINC000424062564 500445719 /nfs/dbraw/zinc/44/57/19/500445719.db2.gz GWBXQWWJWHBNIJ-GFCCVEGCSA-N 0 3 364.858 3.432 20 30 FGEDHN Cc1cccc(COc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)c1 ZINC000424097796 500452275 /nfs/dbraw/zinc/45/22/75/500452275.db2.gz KCAGCFZPTDHGMP-HXUWFJFHSA-N 0 3 351.450 3.211 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000424109424 500455340 /nfs/dbraw/zinc/45/53/40/500455340.db2.gz AJWNMPSELVVKEY-NSHDSACASA-N 0 3 367.887 3.302 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000424114307 500455774 /nfs/dbraw/zinc/45/57/74/500455774.db2.gz QZOZAOMWYNUGAF-HUUCEWRRSA-N 0 3 354.479 3.375 20 30 FGEDHN CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Cc1cccc(Br)c1 ZINC000424118727 500457131 /nfs/dbraw/zinc/45/71/31/500457131.db2.gz DTOAMKPHNZQIQA-BBRMVZONSA-N 0 3 366.303 3.155 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000424119792 500457410 /nfs/dbraw/zinc/45/74/10/500457410.db2.gz DEVLLBYYQYZVTM-CABCVRRESA-N 0 3 372.469 3.464 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000424131635 500459016 /nfs/dbraw/zinc/45/90/16/500459016.db2.gz JNGMXNKOULVJPC-AWEZNQCLSA-N 0 3 360.845 3.208 20 30 FGEDHN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424173184 500463379 /nfs/dbraw/zinc/46/33/79/500463379.db2.gz NUQWOVVHMSLRJP-CYBMUJFWSA-N 0 3 358.667 3.082 20 30 FGEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncc(C#N)cc1Cl ZINC000432183617 500481340 /nfs/dbraw/zinc/48/13/40/500481340.db2.gz AEQZRFHIWAIQQQ-MRXNPFEDSA-N 0 3 368.868 3.201 20 30 FGEDHN C[C@@]1(NC(=O)NCc2ccc(C#N)c(F)c2)CCN(Cc2ccccc2)C1 ZINC000570574749 506198825 /nfs/dbraw/zinc/19/88/25/506198825.db2.gz WQKVSRWNGWJPGH-OAQYLSRUSA-N 0 3 366.440 3.161 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000424506879 500511887 /nfs/dbraw/zinc/51/18/87/500511887.db2.gz IFKZBOFGLVFCGV-FUPPJEDESA-N 0 3 368.521 3.482 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C#N)s1 ZINC000420893884 500523881 /nfs/dbraw/zinc/52/38/81/500523881.db2.gz WODNDSBFBKHUMV-INIZCTEOSA-N 0 3 368.506 3.426 20 30 FGEDHN N#Cc1cnc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000432578522 500534079 /nfs/dbraw/zinc/53/40/79/500534079.db2.gz KXPBMNUSKMJJNB-UHFFFAOYSA-N 0 3 354.841 3.001 20 30 FGEDHN C=CCC1(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CCOCC1 ZINC000424765875 500559196 /nfs/dbraw/zinc/55/91/96/500559196.db2.gz DIHXXRNYJDPMQI-FQEVSTJZSA-N 0 3 356.510 3.386 20 30 FGEDHN N#CCCC[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000433015259 500607310 /nfs/dbraw/zinc/60/73/10/500607310.db2.gz JSBSZIDDFSQUKM-IEBWSBKVSA-N 0 3 368.433 3.180 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H](O)C1 ZINC000442672035 500609974 /nfs/dbraw/zinc/60/99/74/500609974.db2.gz HWZVOQWOLWGGLW-CYGODWOOSA-N 0 3 374.488 3.231 20 30 FGEDHN CN1CCN(c2ccc(C(F)(F)F)cc2CN[C@H]2CC[C@H](C#N)C2)CC1 ZINC000442781570 500625446 /nfs/dbraw/zinc/62/54/46/500625446.db2.gz MYEYMJZWWUVJAG-YOEHRIQHSA-N 0 3 366.431 3.239 20 30 FGEDHN C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000442790750 500626053 /nfs/dbraw/zinc/62/60/53/500626053.db2.gz HMQNBTCOONPAFW-SJKOYZFVSA-N 0 3 361.367 3.497 20 30 FGEDHN C[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180892 500640499 /nfs/dbraw/zinc/64/04/99/500640499.db2.gz WGODIAGFHYOQLP-DNVCBOLYSA-N 0 3 369.896 3.281 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000437479061 500649053 /nfs/dbraw/zinc/64/90/53/500649053.db2.gz CWKSYUOEGMJHIF-JXXFODFXSA-N 0 3 357.498 3.279 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433301390 500666313 /nfs/dbraw/zinc/66/63/13/500666313.db2.gz VJHFYBKNYQJHDO-SFHVURJKSA-N 0 3 369.490 3.442 20 30 FGEDHN Cn1c(CCNC(=O)C(C#N)CCc2ccccc2)nc2c1cccc2F ZINC000433349830 500678064 /nfs/dbraw/zinc/67/80/64/500678064.db2.gz CXJBFCDPEQOFAG-INIZCTEOSA-N 0 3 364.424 3.144 20 30 FGEDHN C[C@H](O)C[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433383276 500685233 /nfs/dbraw/zinc/68/52/33/500685233.db2.gz HDTRUBVUXINBPO-DZFGPLHGSA-N 0 3 350.462 3.430 20 30 FGEDHN C=CCC[C@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1ccccc1 ZINC000433404382 500687965 /nfs/dbraw/zinc/68/79/65/500687965.db2.gz WTFXVJQMDSWJOM-QUCCMNQESA-N 0 3 359.514 3.494 20 30 FGEDHN N#Cc1nc(NC2CCN(Cc3ccccc3)CC2)ccc1C(F)(F)F ZINC000443405873 500719563 /nfs/dbraw/zinc/71/95/63/500719563.db2.gz KXFXJAYZLFGSPI-UHFFFAOYSA-N 0 3 360.383 3.470 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(n2ccc(C)n2)CC1)C(C)C ZINC000433943439 500769032 /nfs/dbraw/zinc/76/90/32/500769032.db2.gz ZJQRKUAVCBMFSY-FQEVSTJZSA-N 0 3 373.545 3.237 20 30 FGEDHN Cc1cc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)ccc1C#N ZINC000443975774 500786024 /nfs/dbraw/zinc/78/60/24/500786024.db2.gz BNALNTFUCALGAI-UHFFFAOYSA-N 0 3 371.506 3.185 20 30 FGEDHN C=CCOc1ccc(CC(=O)Nc2ccc(OCCN(C)C)cc2)cc1 ZINC000448731761 500817328 /nfs/dbraw/zinc/81/73/28/500817328.db2.gz BYRAQLKEPCSVFI-UHFFFAOYSA-N 0 3 354.450 3.373 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000438848233 500826553 /nfs/dbraw/zinc/82/65/53/500826553.db2.gz FVTIVVPMUCVXNK-LJQANCHMSA-N 0 3 372.513 3.220 20 30 FGEDHN CC[C@H](CC(F)(F)F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000448815420 500842207 /nfs/dbraw/zinc/84/22/07/500842207.db2.gz DMVFHVICEFNIAG-MRXNPFEDSA-N 0 3 355.404 3.427 20 30 FGEDHN C=CCCCN(C)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449030456 500904479 /nfs/dbraw/zinc/90/44/79/500904479.db2.gz RXHWNEIAFXSHRB-CYBMUJFWSA-N 0 3 369.303 3.360 20 30 FGEDHN CC(C)N(CCOc1cccc(C#N)c1)C[C@H](O)COc1ccccc1 ZINC000444812431 500906130 /nfs/dbraw/zinc/90/61/30/500906130.db2.gz MUMPUVQGGNSPDP-IBGZPJMESA-N 0 3 354.450 3.087 20 30 FGEDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cn1 ZINC000435005647 500921297 /nfs/dbraw/zinc/92/12/97/500921297.db2.gz PMOCOEAKEVJCOY-UHFFFAOYSA-N 0 3 350.466 3.281 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000440320256 500996260 /nfs/dbraw/zinc/99/62/60/500996260.db2.gz XOYKGTMSKPEJPJ-MWXLCCTBSA-N 0 3 361.574 3.408 20 30 FGEDHN CC(C)(C[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1)C(N)=O ZINC000449408371 500996299 /nfs/dbraw/zinc/99/62/99/500996299.db2.gz JHFHKCOUAPEATA-GOSISDBHSA-N 0 3 357.498 3.483 20 30 FGEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Cl ZINC000449432939 501001817 /nfs/dbraw/zinc/00/18/17/501001817.db2.gz JYJCNEANRQQMRA-JFIYKMOQSA-N 0 3 351.874 3.267 20 30 FGEDHN COc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1OCCCC#N ZINC000449556329 501032619 /nfs/dbraw/zinc/03/26/19/501032619.db2.gz SCFJUDOGCIWGKI-QYZOEREBSA-N 0 3 358.482 3.361 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)c(F)c1 ZINC000440821269 501052985 /nfs/dbraw/zinc/05/29/85/501052985.db2.gz AJAVBKVQDXLADD-LBPRGKRZSA-N 0 3 367.350 3.198 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)n2C)CCN1Cc1ccccc1 ZINC000449907876 501123032 /nfs/dbraw/zinc/12/30/32/501123032.db2.gz QLDXFRGLSVVURC-AEFFLSMTSA-N 0 3 350.466 3.022 20 30 FGEDHN CCn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C)c(C)nc21 ZINC000442027056 501192042 /nfs/dbraw/zinc/19/20/42/501192042.db2.gz HUCSHXBBERHHDG-OAHLLOKOSA-N 0 3 358.405 3.136 20 30 FGEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442174874 501204209 /nfs/dbraw/zinc/20/42/09/501204209.db2.gz NKQCMSWYCKGRER-UHFFFAOYSA-N 0 3 356.348 3.016 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](OC)C(C)(C)C1)C(C)C ZINC000457745730 501299616 /nfs/dbraw/zinc/29/96/16/501299616.db2.gz LFYKKTDYCNGQLE-MSOLQXFVSA-N 0 3 351.535 3.142 20 30 FGEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000453413802 501326237 /nfs/dbraw/zinc/32/62/37/501326237.db2.gz LSLFVEDZJALCRA-DAWZGUTISA-N 0 3 359.518 3.016 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453426110 501329146 /nfs/dbraw/zinc/32/91/46/501329146.db2.gz QDZOTFUUCLUJIY-MRXNPFEDSA-N 0 3 355.486 3.060 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453429786 501330350 /nfs/dbraw/zinc/33/03/50/501330350.db2.gz CDNGZRGKNJLQDM-SFHVURJKSA-N 0 3 369.513 3.270 20 30 FGEDHN CC(C)[C@H](CO)[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000451602379 501334884 /nfs/dbraw/zinc/33/48/84/501334884.db2.gz VLFLKXHOXMLIQU-YJBOKZPZSA-N 0 3 351.878 3.029 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453454073 501336156 /nfs/dbraw/zinc/33/61/56/501336156.db2.gz POCIMIHQKOQJLT-QGZVFWFLSA-N 0 3 359.543 3.425 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000451670172 501347971 /nfs/dbraw/zinc/34/79/71/501347971.db2.gz CCMVMHOADRFWLF-UXHICEINSA-N 0 3 364.445 3.179 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc3cc(C(=O)OC)sc32)CC1 ZINC000455721429 501372872 /nfs/dbraw/zinc/37/28/72/501372872.db2.gz USYFSKLMSLGPBI-UHFFFAOYSA-N 0 3 373.478 3.460 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455802128 501388784 /nfs/dbraw/zinc/38/87/84/501388784.db2.gz ZQMIMCNJJOSWFK-UHFFFAOYSA-N 0 3 363.874 3.264 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000454273952 501498580 /nfs/dbraw/zinc/49/85/80/501498580.db2.gz LNSOSTHJKHVLPA-SFHVURJKSA-N 0 3 362.477 3.222 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)NCc2ccc(C#N)cc2)CCC1 ZINC000454280023 501500615 /nfs/dbraw/zinc/50/06/15/501500615.db2.gz SWXQPZBVDGCVNR-UHFFFAOYSA-N 0 3 362.477 3.412 20 30 FGEDHN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C[C@@H](C)CCC#N)CC1 ZINC000602680834 506260266 /nfs/dbraw/zinc/26/02/66/506260266.db2.gz WAMPELJKRAQUJN-KRWDZBQOSA-N 0 3 356.466 3.454 20 30 FGEDHN C=CC(C)(C)CNC(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000458983604 501571082 /nfs/dbraw/zinc/57/10/82/501571082.db2.gz DVIDNSLTNVDJHR-FUHWJXTLSA-N 0 3 361.534 3.047 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC1(F)F ZINC000459009605 501576664 /nfs/dbraw/zinc/57/66/64/501576664.db2.gz AWGCHHYFYRIYOV-KRWDZBQOSA-N 0 3 364.440 3.067 20 30 FGEDHN C=C(CC)CNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000454594938 501587397 /nfs/dbraw/zinc/58/73/97/501587397.db2.gz QBZKRGLPEZWQSO-UHFFFAOYSA-N 0 3 359.514 3.323 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454753824 501622317 /nfs/dbraw/zinc/62/23/17/501622317.db2.gz FHVOBNNOGTUQIX-OAHLLOKOSA-N 0 3 354.429 3.017 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000454953394 501660901 /nfs/dbraw/zinc/66/09/01/501660901.db2.gz CMPWBOYRWZURID-FOIQADDNSA-N 0 3 366.440 3.160 20 30 FGEDHN Cc1ccc(C[C@@H](CO)NC(=O)C(C#N)CCc2ccccc2)cc1C ZINC000457306155 501679115 /nfs/dbraw/zinc/67/91/15/501679115.db2.gz VZIQFIIWSMLFAT-SFTDATJTSA-N 0 3 350.462 3.096 20 30 FGEDHN COc1ccc(CN2CC3(CCC3)[C@H]3COC[C@H]32)cc1OCCCC#N ZINC000459682265 501698183 /nfs/dbraw/zinc/69/81/83/501698183.db2.gz SKLSQBQOALJXIW-ZWKOTPCHSA-N 0 3 356.466 3.379 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000457519102 501715234 /nfs/dbraw/zinc/71/52/34/501715234.db2.gz FFGGRUGCUJQWPH-NJDAHSKKSA-N 0 3 374.525 3.184 20 30 FGEDHN N#Cc1cnc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c(Cl)c1 ZINC000460021315 501725136 /nfs/dbraw/zinc/72/51/36/501725136.db2.gz JMJDLTYFCGABDA-OAHLLOKOSA-N 0 3 352.825 3.231 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ncc(C#N)cc1Cl ZINC000470590425 501737571 /nfs/dbraw/zinc/73/75/71/501737571.db2.gz HKRJXMJWEIZAKZ-GOSISDBHSA-N 0 3 370.884 3.493 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCSCc2ccccc2F)cc1 ZINC000470737925 501787223 /nfs/dbraw/zinc/78/72/23/501787223.db2.gz RFCVXUDBBAEFRG-GOSISDBHSA-N 0 3 367.449 3.429 20 30 FGEDHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470830218 501821282 /nfs/dbraw/zinc/82/12/82/501821282.db2.gz HFKAUHOPZPJJFK-CZUORRHYSA-N 0 3 351.381 3.266 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470836938 501824040 /nfs/dbraw/zinc/82/40/40/501824040.db2.gz RLUQDSRXBVYODB-ZPMCFJSWSA-N 0 3 372.472 3.192 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460589255 501870290 /nfs/dbraw/zinc/87/02/90/501870290.db2.gz ZPHUQHZBGZTNMH-IAGOWNOFSA-N 0 3 354.502 3.144 20 30 FGEDHN COc1cccc(OCCN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000481754540 501874236 /nfs/dbraw/zinc/87/42/36/501874236.db2.gz ZSALSGZYXOLNIM-UHFFFAOYSA-N 0 3 352.434 3.489 20 30 FGEDHN CCN(CCCO)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000471040362 501899632 /nfs/dbraw/zinc/89/96/32/501899632.db2.gz JJORCANOQMKKHM-UHFFFAOYSA-N 0 3 354.450 3.350 20 30 FGEDHN CC[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000471040241 501899748 /nfs/dbraw/zinc/89/97/48/501899748.db2.gz SGJBQNZADGSGCX-MJGOQNOKSA-N 0 3 365.408 3.353 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C[C@@H]1C ZINC000460848891 501937555 /nfs/dbraw/zinc/93/75/55/501937555.db2.gz LCGSLSAPLFQQIY-DLBZAZTESA-N 0 3 366.513 3.392 20 30 FGEDHN CCN(CC)CCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000471177170 501946983 /nfs/dbraw/zinc/94/69/83/501946983.db2.gz MCHRVGNBFPNOKM-UHFFFAOYSA-N 0 3 370.541 3.173 20 30 FGEDHN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(CC)CC1 ZINC000460949015 501967709 /nfs/dbraw/zinc/96/77/09/501967709.db2.gz KRWSOEUWXDZONL-UHFFFAOYSA-N 0 3 369.513 3.274 20 30 FGEDHN N#CC(C(=O)c1ccc(-n2cncn2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464463381 501997051 /nfs/dbraw/zinc/99/70/51/501997051.db2.gz FQNGWNWVNRWRBN-CQSZACIVSA-N 0 3 357.295 3.171 20 30 FGEDHN N#CC(C(=O)c1ccnc(-n2cccn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464479022 502000904 /nfs/dbraw/zinc/00/09/04/502000904.db2.gz VPNOMBIKTKMLSN-CYBMUJFWSA-N 0 3 357.295 3.171 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000486113501 502051374 /nfs/dbraw/zinc/05/13/74/502051374.db2.gz DKJQNXFKHATIHB-UHFFFAOYSA-N 0 3 373.403 3.049 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464836256 502111505 /nfs/dbraw/zinc/11/15/05/502111505.db2.gz WECIYNOYQRQPFQ-PMACEKPBSA-N 0 3 355.526 3.172 20 30 FGEDHN CC1CCC(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC1 ZINC000475320558 502133387 /nfs/dbraw/zinc/13/33/87/502133387.db2.gz KFBVVGHIZFELCS-UHFFFAOYSA-N 0 3 357.498 3.044 20 30 FGEDHN C=C(C)COc1cc(CN(CCO)[C@H]2CCCSC2)ccc1OC ZINC000475497546 502191603 /nfs/dbraw/zinc/19/16/03/502191603.db2.gz WVIVULQOVQBZNX-KRWDZBQOSA-N 0 3 351.512 3.340 20 30 FGEDHN COc1cccc(C2(CN[C@@H](C)C(=O)NC3(C#N)CCC3)CCCC2)c1 ZINC000468831815 502198456 /nfs/dbraw/zinc/19/84/56/502198456.db2.gz DINSJLKIIRDOEF-INIZCTEOSA-N 0 3 355.482 3.048 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCN1CCC(C)CC1 ZINC000479392447 502244990 /nfs/dbraw/zinc/24/49/90/502244990.db2.gz QZOWVSAPKSPRGO-UHFFFAOYSA-N 0 3 361.534 3.284 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N[C@H]2CCC[C@@H]2C#N)c2ccccc2)CC1 ZINC000461940225 502245076 /nfs/dbraw/zinc/24/50/76/502245076.db2.gz FRINRRUKBFNACW-HSALFYBXSA-N 0 3 354.498 3.451 20 30 FGEDHN CC(C)(C)C1CCC(O)(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472155238 502250289 /nfs/dbraw/zinc/25/02/89/502250289.db2.gz MBRALXMBBBWMJC-FLPIEVNYSA-N 0 3 367.493 3.324 20 30 FGEDHN CCCC[C@](C)(NCC(=O)NCC#N)c1cccc(Br)c1 ZINC000483071159 502263189 /nfs/dbraw/zinc/26/31/89/502263189.db2.gz PBJURRCWJOUABF-INIZCTEOSA-N 0 3 352.276 3.084 20 30 FGEDHN N#CC(C(=O)c1ccccc1Cn1cncn1)c1nccc2ccccc21 ZINC000483205136 502313261 /nfs/dbraw/zinc/31/32/61/502313261.db2.gz VICIYUZSAXWYJO-IBGZPJMESA-N 0 3 353.385 3.365 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNc2nc(C)cc(C)c2C#N)CC1 ZINC000486974255 502320150 /nfs/dbraw/zinc/32/01/50/502320150.db2.gz XXLQBZPAEUBYPC-UHFFFAOYSA-N 0 3 363.509 3.320 20 30 FGEDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469291066 502364129 /nfs/dbraw/zinc/36/41/29/502364129.db2.gz VDPSVWKXXWQZMO-SFHVURJKSA-N 0 3 366.465 3.454 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@]2(CCCOC2)C1)C(C)C ZINC000476062165 502373557 /nfs/dbraw/zinc/37/35/57/502373557.db2.gz JLIRHJCSUJSZLZ-PZJWPPBQSA-N 0 3 363.546 3.287 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000462342016 502400823 /nfs/dbraw/zinc/40/08/23/502400823.db2.gz SPZFOAMUMZCPJY-KRWDZBQOSA-N 0 3 365.477 3.261 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000465870428 502409404 /nfs/dbraw/zinc/40/94/04/502409404.db2.gz ZEQMPPTXGTVOHB-QUCCMNQESA-N 0 3 357.498 3.104 20 30 FGEDHN C=CCN(CCOc1ccccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596210999 506312474 /nfs/dbraw/zinc/31/24/74/506312474.db2.gz HSZDGELJUIXICX-INIZCTEOSA-N 0 3 367.428 3.429 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480015214 502445600 /nfs/dbraw/zinc/44/56/00/502445600.db2.gz GMPYEYRINPZWTA-INIZCTEOSA-N 0 3 351.498 3.262 20 30 FGEDHN CCC(CC)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)N1CCOCC1 ZINC000469508384 502446423 /nfs/dbraw/zinc/44/64/23/502446423.db2.gz KSVUTQXIZDNOFZ-NHCUHLMSSA-N 0 3 371.525 3.012 20 30 FGEDHN Cc1ccc([C@@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000469620536 502482865 /nfs/dbraw/zinc/48/28/65/502482865.db2.gz JIJKFTUFLZUJAE-BEFAXECRSA-N 0 3 370.474 3.072 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 ZINC000476438646 502489453 /nfs/dbraw/zinc/48/94/53/502489453.db2.gz RTCCSYRCYRGPAR-UHFFFAOYSA-N 0 3 364.902 3.182 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000476569079 502529283 /nfs/dbraw/zinc/52/92/83/502529283.db2.gz PZIBKOICTDCKRN-FQEVSTJZSA-N 0 3 367.493 3.224 20 30 FGEDHN CCC[C@H]1CN(c2c(C#N)cnc3ccc(C)cc32)CCN1CCOC ZINC000488106591 502628218 /nfs/dbraw/zinc/62/82/18/502628218.db2.gz PPWVFTLBLFATFL-SFHVURJKSA-N 0 3 352.482 3.352 20 30 FGEDHN Cc1nc2ccccc2n1CCCCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848191 506325474 /nfs/dbraw/zinc/32/54/74/506325474.db2.gz FICIEJQRPKIIIO-ROUUACIJSA-N 0 3 353.514 3.433 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466778881 502674255 /nfs/dbraw/zinc/67/42/55/502674255.db2.gz QZGSIQWTUOSWQH-UZLBHIALSA-N 0 3 354.498 3.209 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000470182356 502698556 /nfs/dbraw/zinc/69/85/56/502698556.db2.gz KIICBFGQCITZTI-AZUAARDMSA-N 0 3 355.482 3.095 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@H](C)N1CC#N ZINC000602858302 506329976 /nfs/dbraw/zinc/32/99/76/506329976.db2.gz AARGYKXBKWUYKV-IRXDYDNUSA-N 0 3 350.466 3.087 20 30 FGEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 ZINC000488461625 502721225 /nfs/dbraw/zinc/72/12/25/502721225.db2.gz GYQWLMGAOBWVOP-LEWJYISDSA-N 0 3 363.461 3.409 20 30 FGEDHN C=CCn1cccc1C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000488576416 502755321 /nfs/dbraw/zinc/75/53/21/502755321.db2.gz NISCNRLZSBHUGA-HXUWFJFHSA-N 0 3 355.482 3.496 20 30 FGEDHN C=CCCCCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000474097149 502808289 /nfs/dbraw/zinc/80/82/89/502808289.db2.gz OIIZVAGMDCJVJU-QZTJIDSGSA-N 0 3 351.535 3.264 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1c(C)nc2ccccc21)C(C)C ZINC000513020320 502832056 /nfs/dbraw/zinc/83/20/56/502832056.db2.gz ODCHRUUWCCBDDR-FQEVSTJZSA-N 0 3 354.498 3.160 20 30 FGEDHN C=C(CNC(=O)CCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000488895290 502832999 /nfs/dbraw/zinc/83/29/99/502832999.db2.gz HJXCHJICBASGOB-UHFFFAOYSA-N 0 3 363.505 3.337 20 30 FGEDHN CN(C)C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000488913559 502836789 /nfs/dbraw/zinc/83/67/89/502836789.db2.gz PGBSFRCKODAHAD-ICSRJNTNSA-N 0 3 353.441 3.317 20 30 FGEDHN CN(CCN(Cc1ccccc1)c1cnc(C#N)cn1)Cc1ccccc1 ZINC000500728346 502849564 /nfs/dbraw/zinc/84/95/64/502849564.db2.gz ZKKPEVRTTBQVQZ-UHFFFAOYSA-N 0 3 357.461 3.487 20 30 FGEDHN C=CCn1cccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000489021229 502863133 /nfs/dbraw/zinc/86/31/33/502863133.db2.gz VJLIZFNXHIVKMM-UHFFFAOYSA-N 0 3 351.494 3.455 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)C(C)C ZINC000495999881 502869204 /nfs/dbraw/zinc/86/92/04/502869204.db2.gz MSYCLHVEPKEIKS-HLIPFELVSA-N 0 3 358.482 3.030 20 30 FGEDHN C=CCN(CCc1c(C)nc2sccn2c1=O)Cc1ccc(OC)cc1 ZINC000509311731 502872488 /nfs/dbraw/zinc/87/24/88/502872488.db2.gz WXLROPJOPHEULT-UHFFFAOYSA-N 0 3 369.490 3.304 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000496687758 502898789 /nfs/dbraw/zinc/89/87/89/502898789.db2.gz FJKFFOUCUXMAKO-LJQANCHMSA-N 0 3 371.456 3.493 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCCN(c3ccccc3F)CC2)cc1 ZINC000513406198 502928830 /nfs/dbraw/zinc/92/88/30/502928830.db2.gz ODIFYAKZJDNYDX-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000509608261 502946220 /nfs/dbraw/zinc/94/62/20/502946220.db2.gz BJWILIVGXNTZNX-CRAIPNDOSA-N 0 3 354.454 3.422 20 30 FGEDHN C=C[C@@H]1CCCCN1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000489441236 502958651 /nfs/dbraw/zinc/95/86/51/502958651.db2.gz QPLCVNZPKQETIK-OAQYLSRUSA-N 0 3 355.526 3.070 20 30 FGEDHN C=CCCCS(=O)(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000489699524 503014207 /nfs/dbraw/zinc/01/42/07/503014207.db2.gz LUFHNJGGDINDGC-WOJBJXKFSA-N 0 3 362.539 3.269 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 ZINC000509954338 503017553 /nfs/dbraw/zinc/01/75/53/503017553.db2.gz BAVPMYPVPGIFMQ-LJQANCHMSA-N 0 3 366.461 3.021 20 30 FGEDHN C[C@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCCC[C@H]1C ZINC000501522671 503028878 /nfs/dbraw/zinc/02/88/78/503028878.db2.gz QODJNWQQVFCFJI-IAGOWNOFSA-N 0 3 374.554 3.354 20 30 FGEDHN N#Cc1ccc(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000602911372 506348354 /nfs/dbraw/zinc/34/83/54/506348354.db2.gz YRVQKXGMLBZFDC-UHFFFAOYSA-N 0 3 352.394 3.120 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000513917294 503048762 /nfs/dbraw/zinc/04/87/62/503048762.db2.gz USVFZLBYPLQVGZ-UHFFFAOYSA-N 0 3 350.437 3.206 20 30 FGEDHN C[C@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497902014 503062884 /nfs/dbraw/zinc/06/28/84/503062884.db2.gz XMHDMGSGMMWHOH-FXAWDEMLSA-N 0 3 357.498 3.044 20 30 FGEDHN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(OC)c(OC)c1 ZINC000510192686 503068249 /nfs/dbraw/zinc/06/82/49/503068249.db2.gz NVYXEDQGVIYZPL-KRWDZBQOSA-N 0 3 373.497 3.429 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000498126887 503112921 /nfs/dbraw/zinc/11/29/21/503112921.db2.gz QQGCXRFTOOBPSN-LJQANCHMSA-N 0 3 353.466 3.294 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000514245279 503123889 /nfs/dbraw/zinc/12/38/89/503123889.db2.gz VGWRTPUBPUQMLA-QGZVFWFLSA-N 0 3 365.477 3.352 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000498285571 503150546 /nfs/dbraw/zinc/15/05/46/503150546.db2.gz NOKKDYOBSXTHAC-UXHICEINSA-N 0 3 353.466 3.465 20 30 FGEDHN C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCC[C@H](C)C1 ZINC000502274803 503172244 /nfs/dbraw/zinc/17/22/44/503172244.db2.gz HQCUKENWXGNQOH-ROUUACIJSA-N 0 3 366.509 3.477 20 30 FGEDHN C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1=CCN(C)CC1 ZINC000510743333 503183929 /nfs/dbraw/zinc/18/39/29/503183929.db2.gz RPQYMKQNQLRUKT-HNNXBMFYSA-N 0 3 365.433 3.110 20 30 FGEDHN Cc1cc(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)ccc1C#N ZINC000510946843 503222792 /nfs/dbraw/zinc/22/27/92/503222792.db2.gz CZQKNJBKRISALQ-HNNXBMFYSA-N 0 3 353.388 3.147 20 30 FGEDHN CCCCN(C)CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000490829254 503233641 /nfs/dbraw/zinc/23/36/41/503233641.db2.gz RUZMJHYOUMCRPU-UHFFFAOYSA-N 0 3 355.404 3.088 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)c(OC(F)F)cc2F)CC1 ZINC000491286801 503293452 /nfs/dbraw/zinc/29/34/52/503293452.db2.gz XBGCOMOZKSEZRJ-UHFFFAOYSA-N 0 3 361.339 3.338 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cc1c(F)cccc1C#N ZINC000511458514 503325307 /nfs/dbraw/zinc/32/53/07/503325307.db2.gz GRDLUQIKJZOLND-UHFFFAOYSA-N 0 3 353.441 3.350 20 30 FGEDHN Cc1cc(CNC[C@H](O)CN(C)CCC#N)ccc1Oc1ccc(F)cc1 ZINC000515415484 503334234 /nfs/dbraw/zinc/33/42/34/503334234.db2.gz RVMGXSRYMGHGTJ-IBGZPJMESA-N 0 3 371.456 3.222 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2cnn(CC)c2nc1C)C(C)C ZINC000507648430 503338594 /nfs/dbraw/zinc/33/85/94/503338594.db2.gz BLWRQSAVNPRNDI-IBGZPJMESA-N 0 3 369.513 3.188 20 30 FGEDHN C=CCN1CC[C@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1=O ZINC000511621214 503356392 /nfs/dbraw/zinc/35/63/92/503356392.db2.gz BRWGUOHGXJMXRO-JKSUJKDBSA-N 0 3 354.372 3.413 20 30 FGEDHN CCC(CC)N(CC)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000516210213 503471751 /nfs/dbraw/zinc/47/17/51/503471751.db2.gz FMVGSESZYAJUMV-FQEVSTJZSA-N 0 3 374.504 3.045 20 30 FGEDHN CCN(C(=O)Cc1noc(C)c1C#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000499773728 503479448 /nfs/dbraw/zinc/47/94/48/503479448.db2.gz ANOCTMFNUYZEQH-CRAIPNDOSA-N 0 3 366.465 3.081 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccco1 ZINC000503914591 503488384 /nfs/dbraw/zinc/48/83/84/503488384.db2.gz SQIDJVZSYGXQFF-CRAIPNDOSA-N 0 3 354.454 3.122 20 30 FGEDHN C=CCSCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000508564367 503520873 /nfs/dbraw/zinc/52/08/73/503520873.db2.gz OYPBSROXCOUUDU-MRXNPFEDSA-N 0 3 354.466 3.179 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(C(F)(F)F)c1 ZINC000516689872 503569757 /nfs/dbraw/zinc/56/97/57/503569757.db2.gz LPFCLKMWRJPUAJ-NVXWUHKLSA-N 0 3 368.399 3.234 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)SCC(=O)N2)C(C)C ZINC000516779659 503586461 /nfs/dbraw/zinc/58/64/61/503586461.db2.gz IUKSQWNLRAQMHB-QGZVFWFLSA-N 0 3 373.522 3.159 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000516800902 503590537 /nfs/dbraw/zinc/59/05/37/503590537.db2.gz GBMKCAGTCGSLKS-UWJYYQICSA-N 0 3 374.488 3.367 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000504790532 503616239 /nfs/dbraw/zinc/61/62/39/503616239.db2.gz VAPYRVUTXOZFHR-LJQANCHMSA-N 0 3 369.415 3.332 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](N2CCCCC2)C1 ZINC000532958558 503676166 /nfs/dbraw/zinc/67/61/66/503676166.db2.gz UEPFGWLOZDELJD-ZWKOTPCHSA-N 0 3 361.555 3.211 20 30 FGEDHN C=CCNC(=O)CN(Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC000536744139 503709304 /nfs/dbraw/zinc/70/93/04/503709304.db2.gz NKOSOKWWDHOIKE-FUHWJXTLSA-N 0 3 360.498 3.387 20 30 FGEDHN N#CCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000533048153 503712549 /nfs/dbraw/zinc/71/25/49/503712549.db2.gz LKISCXOSKOPXEK-NHCUHLMSSA-N 0 3 362.477 3.455 20 30 FGEDHN C=CCOc1ccccc1CN[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000546660004 503827481 /nfs/dbraw/zinc/82/74/81/503827481.db2.gz DPEFKNBXZMEVNN-INIZCTEOSA-N 0 3 364.445 3.416 20 30 FGEDHN Cc1cc(C)c(C(=O)NC2CCN(CCc3ccc(C#N)cc3)CC2)o1 ZINC000527577120 503839865 /nfs/dbraw/zinc/83/98/65/503839865.db2.gz FNSNNDUACPQTMM-UHFFFAOYSA-N 0 3 351.450 3.205 20 30 FGEDHN C[C@H](C#N)CNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000543805017 503899990 /nfs/dbraw/zinc/89/99/90/503899990.db2.gz ZKAFVSHCEHYTDA-GOSISDBHSA-N 0 3 354.498 3.376 20 30 FGEDHN COCCn1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000543878983 503926429 /nfs/dbraw/zinc/92/64/29/503926429.db2.gz DYQKZTYGGOIUSQ-GFCCVEGCSA-N 0 3 373.363 3.073 20 30 FGEDHN COCCOc1ncccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540984418 503965265 /nfs/dbraw/zinc/96/52/65/503965265.db2.gz ZLSHBHZTLOUCCH-UHFFFAOYSA-N 0 3 366.465 3.055 20 30 FGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000530577360 504015953 /nfs/dbraw/zinc/01/59/53/504015953.db2.gz XGZHJZKCYGSDHR-IINYFYTJSA-N 0 3 354.237 3.473 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000530756689 504077963 /nfs/dbraw/zinc/07/79/63/504077963.db2.gz HIBIKGAPOZMCBH-RTWAWAEBSA-N 0 3 367.489 3.480 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000518967812 504106213 /nfs/dbraw/zinc/10/62/13/504106213.db2.gz OPTIZIWMSDXUOR-UTKZUKDTSA-N 0 3 362.477 3.385 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(CC#N)cc1 ZINC000534611949 504190862 /nfs/dbraw/zinc/19/08/62/504190862.db2.gz NSNHITPBYGNZHL-UHFFFAOYSA-N 0 3 357.404 3.235 20 30 FGEDHN C=C[C@@H](CC(=O)Nc1cnccc1N1CCN(C)CC1)c1ccccc1 ZINC000534645194 504201619 /nfs/dbraw/zinc/20/16/19/504201619.db2.gz RDNFMAWOUJFKDK-KRWDZBQOSA-N 0 3 350.466 3.132 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000528412714 504213079 /nfs/dbraw/zinc/21/30/79/504213079.db2.gz BVOHBIXRRIYYOB-HXUWFJFHSA-N 0 3 369.440 3.014 20 30 FGEDHN CC(C)(CC[NH+]1CCCCCC1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000547796859 504228317 /nfs/dbraw/zinc/22/83/17/504228317.db2.gz LXTIFKMPGXGHQY-UHFFFAOYSA-N 0 3 367.490 3.020 20 30 FGEDHN C[C@@H](N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507629 504268339 /nfs/dbraw/zinc/26/83/39/504268339.db2.gz RJHQXYBRGFOFBI-DYESRHJHSA-N 0 3 367.468 3.291 20 30 FGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)COC2 ZINC000541882240 504288583 /nfs/dbraw/zinc/28/85/83/504288583.db2.gz SUQYNQDEKCDKCH-BTYIYWSLSA-N 0 3 361.445 3.435 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(OC(C)C)CC2)c(OC)c1 ZINC000531402157 504294536 /nfs/dbraw/zinc/29/45/36/504294536.db2.gz DIFZWDGMCDEXOQ-SFHVURJKSA-N 0 3 363.498 3.053 20 30 FGEDHN N#Cc1cc(C(=O)NCC2(N3CCSCC3)CCCC2)ccc1Cl ZINC000538685783 504327255 /nfs/dbraw/zinc/32/72/55/504327255.db2.gz VESNRURXPJDYSQ-UHFFFAOYSA-N 0 3 363.914 3.303 20 30 FGEDHN C=CCn1c(C)nnc1N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000519756059 504329396 /nfs/dbraw/zinc/32/93/96/504329396.db2.gz QRQBOXAFMMPESV-OAQYLSRUSA-N 0 3 351.498 3.265 20 30 FGEDHN C=CCOc1ccc(CN2CCC(OCCN(C)C)CC2)cc1Cl ZINC000538731813 504349510 /nfs/dbraw/zinc/34/95/10/504349510.db2.gz QBOOWSMLXBKVMX-UHFFFAOYSA-N 0 3 352.906 3.447 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNCCNc2cnccn2)c1 ZINC000531610110 504362035 /nfs/dbraw/zinc/36/20/35/504362035.db2.gz NHLYNTKMQMKXED-UHFFFAOYSA-N 0 3 359.433 3.129 20 30 FGEDHN COc1cccc([C@@H]2C[C@@H](C)CN2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000542254959 504424394 /nfs/dbraw/zinc/42/43/94/504424394.db2.gz PSAQPYMXCZENFC-PERKRYKHSA-N 0 3 366.461 3.390 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000545295661 504434001 /nfs/dbraw/zinc/43/40/01/504434001.db2.gz FTAPNWBYQNEVPB-UHFFFAOYSA-N 0 3 356.470 3.295 20 30 FGEDHN C=CCCCN(C)CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000535584163 504478330 /nfs/dbraw/zinc/47/83/30/504478330.db2.gz DWXVRZOCLYCREM-IBGZPJMESA-N 0 3 363.933 3.491 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1[C@@H]1CCOC1 ZINC000528999686 504489845 /nfs/dbraw/zinc/48/98/45/504489845.db2.gz NSLUAJIBNKENRS-WBVHZDCISA-N 0 3 360.417 3.500 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000548804495 504573171 /nfs/dbraw/zinc/57/31/71/504573171.db2.gz AYEQXACZBKLCQC-UHFFFAOYSA-N 0 3 357.498 3.077 20 30 FGEDHN CCC(CC)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000539452471 504577238 /nfs/dbraw/zinc/57/72/38/504577238.db2.gz DQJOXLUGNJTJBY-GOSISDBHSA-N 0 3 374.554 3.110 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000545901230 504631461 /nfs/dbraw/zinc/63/14/61/504631461.db2.gz BVEFIAUXLSGPOK-AUUYWEPGSA-N 0 3 353.853 3.462 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000546002460 504671172 /nfs/dbraw/zinc/67/11/72/504671172.db2.gz ZDMRJFNNGIXVAE-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000521373748 504722076 /nfs/dbraw/zinc/72/20/76/504722076.db2.gz MZZWTWZDINBAOS-UHFFFAOYSA-N 0 3 371.506 3.091 20 30 FGEDHN CC1(N2CCOCC2)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000529663387 504754674 /nfs/dbraw/zinc/75/46/74/504754674.db2.gz LBDANASXGREJBN-UHFFFAOYSA-N 0 3 357.498 3.056 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc4c(n3)CCC4)C2)c(F)c1 ZINC000563099414 505047404 /nfs/dbraw/zinc/04/74/04/505047404.db2.gz WCKMQXLZXXFQQU-SFHVURJKSA-N 0 3 350.441 3.340 20 30 FGEDHN CC(C)(C)c1ccc(OCCNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000560356020 505057189 /nfs/dbraw/zinc/05/71/89/505057189.db2.gz FZHFEXQCUUOUIM-IBGZPJMESA-N 0 3 368.477 3.264 20 30 FGEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000560483088 505099656 /nfs/dbraw/zinc/09/96/56/505099656.db2.gz OXWOPQZRYNHTBQ-SJORKVTESA-N 0 3 350.528 3.318 20 30 FGEDHN C=CCC[C@H](NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccco1 ZINC000560530647 505116094 /nfs/dbraw/zinc/11/60/94/505116094.db2.gz UMAZOHQOCGTGOC-SFHVURJKSA-N 0 3 368.481 3.010 20 30 FGEDHN CCN1CC[C@H](NCc2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000563352149 505117415 /nfs/dbraw/zinc/11/74/15/505117415.db2.gz CMBDLOZJRIENIM-PKOBYXMFSA-N 0 3 360.383 3.296 20 30 FGEDHN CC(C#N)C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000557448743 505137188 /nfs/dbraw/zinc/13/71/88/505137188.db2.gz NARZGAVTCMBENY-NQIIRXRSSA-N 0 3 362.477 3.234 20 30 FGEDHN CCOc1cccc([C@@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000557500743 505151288 /nfs/dbraw/zinc/15/12/88/505151288.db2.gz CSFWLPXNDHVNFL-APWZRJJASA-N 0 3 354.450 3.242 20 30 FGEDHN N#Cc1cccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2C2CC2)c1 ZINC000566373149 505156675 /nfs/dbraw/zinc/15/66/75/505156675.db2.gz DNTPCQIMIZRYKF-UHFFFAOYSA-N 0 3 362.481 3.216 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000560736514 505172734 /nfs/dbraw/zinc/17/27/34/505172734.db2.gz SLJCCUMJFAIHNT-PZJWPPBQSA-N 0 3 355.526 3.007 20 30 FGEDHN CC1CCC(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C)CC2)CC1 ZINC000554609980 505221201 /nfs/dbraw/zinc/22/12/01/505221201.db2.gz ASAMAXHZJWLZBC-UHFFFAOYSA-N 0 3 364.497 3.054 20 30 FGEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000561245952 505292296 /nfs/dbraw/zinc/29/22/96/505292296.db2.gz NWKYHJADELRYQE-YZGWKJHDSA-N 0 3 352.482 3.061 20 30 FGEDHN N#Cc1ccc(OCCN[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000563986707 505295464 /nfs/dbraw/zinc/29/54/64/505295464.db2.gz ZJDIRPQMMXUTOY-QGZVFWFLSA-N 0 3 350.340 3.279 20 30 FGEDHN N#Cc1ccc(OCCN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000563986706 505295929 /nfs/dbraw/zinc/29/59/29/505295929.db2.gz ZJDIRPQMMXUTOY-KRWDZBQOSA-N 0 3 350.340 3.279 20 30 FGEDHN N#CC1CCC(CNCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000554978099 505318167 /nfs/dbraw/zinc/31/81/67/505318167.db2.gz GBRNDBQIXQJIOL-UHFFFAOYSA-N 0 3 374.286 3.449 20 30 FGEDHN COc1cc(CN[C@H](C)c2cccc(N3CCOCC3)c2)ccc1C#N ZINC000554998772 505323664 /nfs/dbraw/zinc/32/36/64/505323664.db2.gz UPSFLBSVPRFIHX-MRXNPFEDSA-N 0 3 351.450 3.254 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000564113873 505329245 /nfs/dbraw/zinc/32/92/45/505329245.db2.gz WMHZHALPEQSOAF-PGRDOPGGSA-N 0 3 371.525 3.018 20 30 FGEDHN C=CCOc1ccccc1CNC[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000561491319 505359654 /nfs/dbraw/zinc/35/96/54/505359654.db2.gz YMWGLELBBMRYTA-IBGZPJMESA-N 0 3 365.477 3.369 20 30 FGEDHN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C2CCCCC2)CC1 ZINC000567173654 505384811 /nfs/dbraw/zinc/38/48/11/505384811.db2.gz HXVRBLCHULQSRW-UHFFFAOYSA-N 0 3 368.529 3.314 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000558450665 505393412 /nfs/dbraw/zinc/39/34/12/505393412.db2.gz KHFKIWLVAJGXNP-MSOLQXFVSA-N 0 3 369.513 3.270 20 30 FGEDHN C=CCC[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000552251134 505441822 /nfs/dbraw/zinc/44/18/22/505441822.db2.gz LGCAISPDWNRGHW-VQIMIIECSA-N 0 3 370.449 3.201 20 30 FGEDHN C[C@@H](N[C@H]1CCCC12CCOCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000558629004 505445098 /nfs/dbraw/zinc/44/50/98/505445098.db2.gz GSAPOYMUAMQUGI-DYVFJYSZSA-N 0 3 373.522 3.374 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC3(CCC3)[C@H]2C2CC2)c(OC)c1 ZINC000564561053 505453820 /nfs/dbraw/zinc/45/38/20/505453820.db2.gz LFLSEPDNFYZUNV-WIYYLYMNSA-N 0 3 357.494 3.428 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cc1c(F)cccc1C#N ZINC000552364715 505473533 /nfs/dbraw/zinc/47/35/33/505473533.db2.gz YXKNTMFFJVVGKP-UHFFFAOYSA-N 0 3 353.441 3.267 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558951551 505536391 /nfs/dbraw/zinc/53/63/91/505536391.db2.gz UUVKYSVDSRBNJR-JQHSSLGASA-N 0 3 365.905 3.223 20 30 FGEDHN CCOc1ccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599253279 506386963 /nfs/dbraw/zinc/38/69/63/506386963.db2.gz GVBUGBUWNRHUNN-ICSRJNTNSA-N 0 3 358.482 3.294 20 30 FGEDHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599263859 506389513 /nfs/dbraw/zinc/38/95/13/506389513.db2.gz LLPRTKFNDVFQQO-MRXNPFEDSA-N 0 3 357.281 3.497 20 30 FGEDHN COCCN(C[C@@H](O)COc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000599271049 506391796 /nfs/dbraw/zinc/39/17/96/506391796.db2.gz HIKDXTINBLXJPR-FXAWDEMLSA-N 0 3 354.450 3.008 20 30 FGEDHN COCCN(C[C@H](O)COc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC000599271051 506392603 /nfs/dbraw/zinc/39/26/03/506392603.db2.gz HIKDXTINBLXJPR-XLIONFOSSA-N 0 3 354.450 3.008 20 30 FGEDHN COc1ccccc1[C@H]1CCCCN1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599290726 506398387 /nfs/dbraw/zinc/39/83/87/506398387.db2.gz ZLKFTAMGDLMXAU-PKOBYXMFSA-N 0 3 358.482 3.294 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596423653 506399494 /nfs/dbraw/zinc/39/94/94/506399494.db2.gz NPGDFOZYETUDTJ-FQEVSTJZSA-N 0 3 372.472 3.016 20 30 FGEDHN N#Cc1cnc2ccccc2c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596443521 506407498 /nfs/dbraw/zinc/40/74/98/506407498.db2.gz ZLOGGQNTJPDERY-UHFFFAOYSA-N 0 3 357.461 3.247 20 30 FGEDHN N#Cc1cc(F)cc(NC(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000603073111 506408761 /nfs/dbraw/zinc/40/87/61/506408761.db2.gz MWZWHIMABLOIQB-UHFFFAOYSA-N 0 3 353.401 3.130 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)NCC3(C#N)CCCC3)c(C)c2)CC1 ZINC000593136182 506416780 /nfs/dbraw/zinc/41/67/80/506416780.db2.gz QOTDRAWSTMNCCF-UHFFFAOYSA-N 0 3 369.513 3.342 20 30 FGEDHN N#CCCCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000599343649 506418952 /nfs/dbraw/zinc/41/89/52/506418952.db2.gz ZIJKCVRFMFPNSE-QZTJIDSGSA-N 0 3 368.506 3.169 20 30 FGEDHN N#CC1(C[C@@H](O)CNC2(c3ccc(F)cc3F)CCC2)CCOCC1 ZINC000599356330 506425671 /nfs/dbraw/zinc/42/56/71/506425671.db2.gz MAZPJNYQMMQTBW-OAHLLOKOSA-N 0 3 350.409 3.005 20 30 FGEDHN CC[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000599421037 506449673 /nfs/dbraw/zinc/44/96/73/506449673.db2.gz KXGWWCBHMRYITJ-QUCCMNQESA-N 0 3 354.450 3.390 20 30 FGEDHN Cc1cc(F)ccc1C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599427569 506453435 /nfs/dbraw/zinc/45/34/35/506453435.db2.gz CQWXLWJHENYPCI-LJQANCHMSA-N 0 3 360.473 3.385 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000596676836 506526367 /nfs/dbraw/zinc/52/63/67/506526367.db2.gz GJWBOXAVYFIOHX-MRXNPFEDSA-N 0 3 360.458 3.165 20 30 FGEDHN CN(C)C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628197 506538521 /nfs/dbraw/zinc/53/85/21/506538521.db2.gz QEXZJQNXLNAKKK-XJKSGUPXSA-N 0 3 358.313 3.486 20 30 FGEDHN CN(C)C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628194 506538395 /nfs/dbraw/zinc/53/83/95/506538395.db2.gz QEXZJQNXLNAKKK-BBRMVZONSA-N 0 3 358.313 3.486 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCc3cc(C(F)(F)F)ccc3C2)CCOCC1 ZINC000599638216 506545504 /nfs/dbraw/zinc/54/55/04/506545504.db2.gz ZOVPBCUHHOWWFH-QGZVFWFLSA-N 0 3 368.399 3.135 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCCC(F)(F)C2)cc1 ZINC000583140118 506611795 /nfs/dbraw/zinc/61/17/95/506611795.db2.gz NSGILNBHKHPDQW-HNNXBMFYSA-N 0 3 356.438 3.137 20 30 FGEDHN CCOC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2nc3ccccc3n2C)c1C ZINC000603835288 506628459 /nfs/dbraw/zinc/62/84/59/506628459.db2.gz RGCYSPUIZNGFEJ-ZDUSSCGKSA-N 0 3 364.405 3.185 20 30 FGEDHN COc1cc(NC(=O)N(CCN(C)C)Cc2ccccc2)c(F)cc1C#N ZINC000599820278 506656292 /nfs/dbraw/zinc/65/62/92/506656292.db2.gz SWOIHFZEIDJCSV-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000596892257 506660488 /nfs/dbraw/zinc/66/04/88/506660488.db2.gz CEGLSUCPIFCXDW-CYBMUJFWSA-N 0 3 356.348 3.063 20 30 FGEDHN CCN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCN(CC)C1 ZINC000596903392 506666697 /nfs/dbraw/zinc/66/66/97/506666697.db2.gz GWUORXOFBINHNJ-CQSZACIVSA-N 0 3 365.275 3.269 20 30 FGEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CCCCC1 ZINC000593525249 506670714 /nfs/dbraw/zinc/67/07/14/506670714.db2.gz NOAYJCWICKDUPM-UHFFFAOYSA-N 0 3 363.527 3.031 20 30 FGEDHN CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CCN(C)C1 ZINC000596911678 506673242 /nfs/dbraw/zinc/67/32/42/506673242.db2.gz ZSJVUZMDXUKVRV-KRWDZBQOSA-N 0 3 365.437 3.303 20 30 FGEDHN CCOC(=O)C[C@@H](NC(=O)C(C#N)CC)c1cccc(Br)c1 ZINC000593599182 506697839 /nfs/dbraw/zinc/69/78/39/506697839.db2.gz TYVPMMVGDGXRRW-SMDDNHRTSA-N 0 3 367.243 3.109 20 30 FGEDHN CCCCCc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)[nH]n1 ZINC000596975444 506707118 /nfs/dbraw/zinc/70/71/18/506707118.db2.gz UFVHZQQWRQYXSL-UHFFFAOYSA-N 0 3 367.497 3.218 20 30 FGEDHN N#Cc1csc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000593669493 506720767 /nfs/dbraw/zinc/72/07/67/506720767.db2.gz QWNQFKSQAMRZRQ-PMACEKPBSA-N 0 3 353.491 3.095 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)N3CC(CC#N)C3)sc2c1)C1CC1 ZINC000597003455 506726841 /nfs/dbraw/zinc/72/68/41/506726841.db2.gz PGTRAXUYMMSXHK-UHFFFAOYSA-N 0 3 355.467 3.268 20 30 FGEDHN N#Cc1ccc(NCC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000609018057 506763547 /nfs/dbraw/zinc/76/35/47/506763547.db2.gz NUTPQJRIRZFGGV-NRFANRHFSA-N 0 3 362.477 3.314 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN(Cc2ccccc2F)CC2CC2)cc1 ZINC000604291616 506773688 /nfs/dbraw/zinc/77/36/88/506773688.db2.gz ANYPTLHZFQIKNC-LJQANCHMSA-N 0 3 354.425 3.349 20 30 FGEDHN C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)COc2ccccc2O1 ZINC000600173444 506820801 /nfs/dbraw/zinc/82/08/01/506820801.db2.gz PKYATPUYDJYKRH-UWJYYQICSA-N 0 3 350.418 3.105 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2cccc(C#N)n2)N(CC)CC)cc1 ZINC000590470912 506835023 /nfs/dbraw/zinc/83/50/23/506835023.db2.gz RUCFHJHPSYDTRW-HXUWFJFHSA-N 0 3 350.466 3.329 20 30 FGEDHN COc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cc(OC)c1O ZINC000597211364 506838640 /nfs/dbraw/zinc/83/86/40/506838640.db2.gz LVVPFOLBPIOEAQ-UHFFFAOYSA-N 0 3 368.433 3.077 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000593960852 506852074 /nfs/dbraw/zinc/85/20/74/506852074.db2.gz AFQQVNGOIJMPQS-SFHVURJKSA-N 0 3 374.488 3.199 20 30 FGEDHN N#CCN1CCC(NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000609335055 506857050 /nfs/dbraw/zinc/85/70/50/506857050.db2.gz RFKZGUNRTYABLJ-UHFFFAOYSA-N 0 3 374.229 3.128 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1F ZINC000597245599 506858977 /nfs/dbraw/zinc/85/89/77/506858977.db2.gz JZHZOSSFONKGNA-INIZCTEOSA-N 0 3 355.388 3.231 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)CC2(C#N)CCOCC2)CC1 ZINC000597258750 506867883 /nfs/dbraw/zinc/86/78/83/506867883.db2.gz SLNYMEPOWCSWPX-QGZVFWFLSA-N 0 3 355.482 3.039 20 30 FGEDHN CC1CCC(OC2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000609386540 506872171 /nfs/dbraw/zinc/87/21/71/506872171.db2.gz BNEMYOSBUVDKDR-BIXGBWIQSA-N 0 3 372.509 3.358 20 30 FGEDHN C=CCN(CCOc1cccc(C#N)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431515 506879418 /nfs/dbraw/zinc/87/94/18/506879418.db2.gz AYBPGTSVLKGOJK-QGZVFWFLSA-N 0 3 374.448 3.162 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000609515765 506905090 /nfs/dbraw/zinc/90/50/90/506905090.db2.gz CDEBUXSDOFYAEO-MRXNPFEDSA-N 0 3 364.449 3.207 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000583692088 506920391 /nfs/dbraw/zinc/92/03/91/506920391.db2.gz DDUAEMKWUFFGKD-LJQANCHMSA-N 0 3 351.450 3.019 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1C ZINC000590756340 506939989 /nfs/dbraw/zinc/93/99/89/506939989.db2.gz QTSHBSSCLLRNPO-DUXKGJEZSA-N 0 3 369.509 3.343 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000613178514 506954527 /nfs/dbraw/zinc/95/45/27/506954527.db2.gz MARMVNCWJQIBTD-FVOGYEMRSA-N 0 3 368.525 3.265 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2Cc3ccc(C#N)cc3C2)[C@H](C(F)(F)F)C1 ZINC000594141791 506970035 /nfs/dbraw/zinc/97/00/35/506970035.db2.gz NNWOEJAQXDLETC-HZPDHXFCSA-N 0 3 365.399 3.309 20 30 FGEDHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000613213052 506975505 /nfs/dbraw/zinc/97/55/05/506975505.db2.gz NSJFHCFWJHGYBD-FIKGOQFSSA-N 0 3 362.477 3.439 20 30 FGEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)c1nc2cc(F)ccc2s1 ZINC000609690990 506975597 /nfs/dbraw/zinc/97/55/97/506975597.db2.gz MFOKZVQRYSFXJV-GFCCVEGCSA-N 0 3 369.377 3.452 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCSC[C@@H]2C2CC2)sc2c1CCC2 ZINC000583798742 506980530 /nfs/dbraw/zinc/98/05/30/506980530.db2.gz DRODXAPXRCJJCV-OAHLLOKOSA-N 0 3 361.536 3.264 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C2 ZINC000594203074 507006043 /nfs/dbraw/zinc/00/60/43/507006043.db2.gz FYAQXAXXQSWYSK-NRFANRHFSA-N 0 3 360.461 3.421 20 30 FGEDHN C[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCC[C@@H](C)C1 ZINC000594208621 507010613 /nfs/dbraw/zinc/01/06/13/507010613.db2.gz HEXJRSPHNCRPQI-SJORKVTESA-N 0 3 354.498 3.357 20 30 FGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594216143 507015382 /nfs/dbraw/zinc/01/53/82/507015382.db2.gz IYZWJPHXICNPNQ-IRXDYDNUSA-N 0 3 354.498 3.357 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594216777 507016954 /nfs/dbraw/zinc/01/69/54/507016954.db2.gz NEWZBEGVSMFXJO-HRAATJIYSA-N 0 3 360.461 3.419 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccsc1)c1cccc(C#N)c1 ZINC000590928304 507032645 /nfs/dbraw/zinc/03/26/45/507032645.db2.gz XLDMRLFEQSONFM-HNNXBMFYSA-N 0 3 356.495 3.454 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CCN1Cc1ccccc1 ZINC000594242963 507037233 /nfs/dbraw/zinc/03/72/33/507037233.db2.gz GXAZRVMQNJJRGN-IERDGZPVSA-N 0 3 360.461 3.246 20 30 FGEDHN N#CCCC[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000590942488 507052368 /nfs/dbraw/zinc/05/23/68/507052368.db2.gz VLUDIESAVKWQSV-HXUWFJFHSA-N 0 3 363.465 3.348 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000597697747 507064736 /nfs/dbraw/zinc/06/47/36/507064736.db2.gz ZVLIAFWTNZBZEA-IRXDYDNUSA-N 0 3 369.490 3.017 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000600715928 507078237 /nfs/dbraw/zinc/07/82/37/507078237.db2.gz DRPDDNNPXYLQPR-CJNGLKHVSA-N 0 3 350.459 3.024 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000600715927 507078576 /nfs/dbraw/zinc/07/85/76/507078576.db2.gz DRPDDNNPXYLQPR-BBRMVZONSA-N 0 3 350.459 3.024 20 30 FGEDHN CC(C)(C)OC(=O)C1CCC(O)(CNCc2ccc(C#N)cc2F)CC1 ZINC000600720221 507079786 /nfs/dbraw/zinc/07/97/86/507079786.db2.gz FYPKTHYWFMFBRQ-UHFFFAOYSA-N 0 3 362.445 3.050 20 30 FGEDHN CC(C)[C@H](NC[C@@H](O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000600717108 507080598 /nfs/dbraw/zinc/08/05/98/507080598.db2.gz IJRMBPYOCLRECD-UZLBHIALSA-N 0 3 364.449 3.161 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H](C2CCC2)C1 ZINC000591062229 507095829 /nfs/dbraw/zinc/09/58/29/507095829.db2.gz YGUZLAVDTWWMFD-WMZOPIPTSA-N 0 3 355.482 3.452 20 30 FGEDHN CCc1cccc2c(C3CCN(C(=O)[C@@H](N)CCCC#N)CC3)c[nH]c21 ZINC000600759591 507105820 /nfs/dbraw/zinc/10/58/20/507105820.db2.gz FSFXTLAAYRBAOS-IBGZPJMESA-N 0 3 352.482 3.457 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000594409458 507119578 /nfs/dbraw/zinc/11/95/78/507119578.db2.gz WJBYWFFPMFXGPS-LJQANCHMSA-N 0 3 363.436 3.452 20 30 FGEDHN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594446278 507137557 /nfs/dbraw/zinc/13/75/57/507137557.db2.gz OWQAMHGLLALTCE-JSGCOSHPSA-N 0 3 353.850 3.103 20 30 FGEDHN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594447568 507138441 /nfs/dbraw/zinc/13/84/41/507138441.db2.gz YTUVAXMOXSSOHU-RISCZKNCSA-N 0 3 368.275 3.046 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCc2ccccc2CS(C)(=O)=O)cc1 ZINC000594497547 507155798 /nfs/dbraw/zinc/15/57/98/507155798.db2.gz GRGWCUBHYIBCJK-UHFFFAOYSA-N 0 3 356.491 3.322 20 30 FGEDHN CC(C)(C#N)c1ccc(C[NH2+]CCCNC(=O)c2cccc([O-])c2)cc1 ZINC000594503329 507158788 /nfs/dbraw/zinc/15/87/88/507158788.db2.gz VQUGIFXAJAUERA-UHFFFAOYSA-N 0 3 351.450 3.103 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)Nc3ccc4c(c3)CNCCO4)CCC2)cc1 ZINC000594538812 507176715 /nfs/dbraw/zinc/17/67/15/507176715.db2.gz UVIRPLWKOUZJDP-UHFFFAOYSA-N 0 3 362.433 3.241 20 30 FGEDHN N#Cc1sccc1N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000597936984 507185225 /nfs/dbraw/zinc/18/52/25/507185225.db2.gz DEHZXYCTXDTJTO-QGZVFWFLSA-N 0 3 364.474 3.041 20 30 FGEDHN CC(C)(NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000597948794 507193297 /nfs/dbraw/zinc/19/32/97/507193297.db2.gz NXDUQAKHGQLYOI-IBGZPJMESA-N 0 3 362.477 3.217 20 30 FGEDHN C[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000610351818 507207226 /nfs/dbraw/zinc/20/72/26/507207226.db2.gz GZXIHECQRQUVMW-SJORKVTESA-N 0 3 350.466 3.439 20 30 FGEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000591360317 507217821 /nfs/dbraw/zinc/21/78/21/507217821.db2.gz KSMFBWJXZMJPTM-LEWJYISDSA-N 0 3 360.461 3.271 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000591360319 507218160 /nfs/dbraw/zinc/21/81/60/507218160.db2.gz KSMFBWJXZMJPTM-RTWAWAEBSA-N 0 3 360.461 3.271 20 30 FGEDHN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)C(=O)NC1(C#N)CCCCC1 ZINC000594717158 507249786 /nfs/dbraw/zinc/24/97/86/507249786.db2.gz HUINVJSWRBKLIP-BBWFWOEESA-N 0 3 361.530 3.433 20 30 FGEDHN CN(Cc1cc2ccccc2o1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610476674 507254466 /nfs/dbraw/zinc/25/44/66/507254466.db2.gz FWIPVBUKYZLFCZ-SFHVURJKSA-N 0 3 350.418 3.371 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000601187544 507292273 /nfs/dbraw/zinc/29/22/73/507292273.db2.gz GIYTYWBYPMDSJT-UHFFFAOYSA-N 0 3 360.461 3.253 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000598221864 507325016 /nfs/dbraw/zinc/32/50/16/507325016.db2.gz XSEXJNLGNZLYAW-SFHVURJKSA-N 0 3 357.523 3.315 20 30 FGEDHN CC[C@@H](CSc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000591757038 507348912 /nfs/dbraw/zinc/34/89/12/507348912.db2.gz SJZBTTMBKCMHTJ-KRWDZBQOSA-N 0 3 374.531 3.492 20 30 FGEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000610787151 507389263 /nfs/dbraw/zinc/38/92/63/507389263.db2.gz VOQYHRLJQDMJMW-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@@H](NC[C@@H]1CN(C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104665 507394582 /nfs/dbraw/zinc/39/45/82/507394582.db2.gz AXGCVLQNPDIHFI-DYESRHJHSA-N 0 3 366.484 3.164 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H](c1ccccc1)N1CCOCC1 ZINC000591885761 507397229 /nfs/dbraw/zinc/39/72/29/507397229.db2.gz KUAZKPIKFLTGAV-IIBYNOLFSA-N 0 3 353.441 3.249 20 30 FGEDHN C[C@@]1(C#N)CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000598416183 507415870 /nfs/dbraw/zinc/41/58/70/507415870.db2.gz RRJYVSBNOMXIRW-ZWKOTPCHSA-N 0 3 365.399 3.203 20 30 FGEDHN CC(C)[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1 ZINC000598569156 507492791 /nfs/dbraw/zinc/49/27/91/507492791.db2.gz BCOLVDWQNPPZTH-NRFANRHFSA-N 0 3 363.461 3.207 20 30 FGEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)(C)C ZINC000584836508 507532047 /nfs/dbraw/zinc/53/20/47/507532047.db2.gz LVWOMQBAMUJLDE-OAHLLOKOSA-N 0 3 372.513 3.086 20 30 FGEDHN CC(C)N1CCN(C2CCN(c3cc(C#N)c4ccccc4n3)CC2)CC1 ZINC000611166159 507542729 /nfs/dbraw/zinc/54/27/29/507542729.db2.gz VHHSTRCBLWVYPD-UHFFFAOYSA-N 0 3 363.509 3.101 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000614516812 507546367 /nfs/dbraw/zinc/54/63/67/507546367.db2.gz SRKTYDQGGGJPIA-QGZVFWFLSA-N 0 3 351.425 3.339 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000595536677 507549345 /nfs/dbraw/zinc/54/93/45/507549345.db2.gz SCPWSTHQASTZLL-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN COc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccc1OCC(F)(F)F ZINC000598700096 507558413 /nfs/dbraw/zinc/55/84/13/507558413.db2.gz KVFHVTLWPBZZJN-ZDUSSCGKSA-N 0 3 360.376 3.027 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595582067 507573693 /nfs/dbraw/zinc/57/36/93/507573693.db2.gz DXFHIBWLVAKXJU-UXHICEINSA-N 0 3 356.514 3.478 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)C1CC1 ZINC000595586338 507577093 /nfs/dbraw/zinc/57/70/93/507577093.db2.gz JVEHCJVQOFKZPJ-ICSRJNTNSA-N 0 3 354.498 3.232 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611248152 507579596 /nfs/dbraw/zinc/57/95/96/507579596.db2.gz KEAGXKYODIBROK-HXUWFJFHSA-N 0 3 352.482 3.231 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000592302007 507602618 /nfs/dbraw/zinc/60/26/18/507602618.db2.gz PQGWJLWCMXGOHN-GOSISDBHSA-N 0 3 361.461 3.379 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@H](c3ccccc3)c3cncnc3)CC2)nc1 ZINC000585794327 507632134 /nfs/dbraw/zinc/63/21/34/507632134.db2.gz MMAJXJRQYKDHDU-JOCHJYFZSA-N 0 3 370.460 3.091 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCNC(=O)c1c(F)cccc1F ZINC000611394162 507659348 /nfs/dbraw/zinc/65/93/48/507659348.db2.gz NKZAOTRVZXNBJT-GOSISDBHSA-N 0 3 355.388 3.233 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000611394561 507661263 /nfs/dbraw/zinc/66/12/63/507661263.db2.gz PZZSJUWHTVLWPA-HZPDHXFCSA-N 0 3 351.372 3.079 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000586774401 507666936 /nfs/dbraw/zinc/66/69/36/507666936.db2.gz GCVIWTRIDZIYHL-HNNXBMFYSA-N 0 3 353.388 3.147 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000586792385 507673935 /nfs/dbraw/zinc/67/39/35/507673935.db2.gz RZWLXWJLIMBZPV-KRWDZBQOSA-N 0 3 365.452 3.363 20 30 FGEDHN CC[C@@H](C#N)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000602351694 507680099 /nfs/dbraw/zinc/68/00/99/507680099.db2.gz ARBYLSZMTYPVRG-RCCFBDPRSA-N 0 3 368.506 3.119 20 30 FGEDHN N#Cc1cnn2cc(CN(Cc3ccc4c(c3)CCO4)C3CCCC3)cnc12 ZINC000592499487 507681414 /nfs/dbraw/zinc/68/14/14/507681414.db2.gz FWPHKGHFGDLCQN-UHFFFAOYSA-N 0 3 373.460 3.481 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3cnn(-c4ccncc4)c3)CC2)cc1 ZINC000611480888 507701787 /nfs/dbraw/zinc/70/17/87/507701787.db2.gz ORDHZJUWDKRONW-UHFFFAOYSA-N 0 3 358.449 3.215 20 30 FGEDHN COCCN1CCC[C@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000479978377 561200514 /nfs/dbraw/zinc/20/05/14/561200514.db2.gz XCCLXPWRKKYKCO-INIZCTEOSA-N 0 3 367.497 3.007 20 30 FGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823888443 608287279 /nfs/dbraw/zinc/28/72/79/608287279.db2.gz MMHNDOYYOQMFME-QBBMROGASA-N 0 3 356.474 3.142 20 30 FGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823888443 608287281 /nfs/dbraw/zinc/28/72/81/608287281.db2.gz MMHNDOYYOQMFME-QBBMROGASA-N 0 3 356.474 3.142 20 30 FGEDHN CC(CCCC[NH+](C)C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824402943 609277545 /nfs/dbraw/zinc/27/75/45/609277545.db2.gz ZCCLMEBKNAHVAJ-UHFFFAOYSA-N 0 3 369.395 3.405 20 30 FGEDHN CC(CCCC[NH+](C)C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824402943 609277547 /nfs/dbraw/zinc/27/75/47/609277547.db2.gz ZCCLMEBKNAHVAJ-UHFFFAOYSA-N 0 3 369.395 3.405 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC(OCCOC)CC1 ZINC000116868657 700597606 /nfs/dbraw/zinc/59/76/06/700597606.db2.gz MKZNGLWBDDZOBA-UHFFFAOYSA-N 0 3 361.511 3.399 20 30 FGEDHN CCc1nc(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000121348824 700670525 /nfs/dbraw/zinc/67/05/25/700670525.db2.gz VHBZMGYARWUICG-LLVKDONJSA-N 0 3 365.817 3.388 20 30 FGEDHN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124846328 700726066 /nfs/dbraw/zinc/72/60/66/700726066.db2.gz MQHXXDSJBXKYCD-JQWIXIFHSA-N 0 3 355.221 3.092 20 30 FGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000133384218 700837493 /nfs/dbraw/zinc/83/74/93/700837493.db2.gz IJJLVZFMGIWPPC-CYBMUJFWSA-N 0 3 372.837 3.117 20 30 FGEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000152272172 704957031 /nfs/dbraw/zinc/95/70/31/704957031.db2.gz HPLXISJDIRMMKM-MFKMUULPSA-N 0 3 356.394 3.464 20 30 FGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000802800776 724408051 /nfs/dbraw/zinc/40/80/51/724408051.db2.gz VBSXZJSNGOENOU-RRFJBIMHSA-N 0 3 352.356 3.332 20 30 FGEDHN C=CCC[C@H](O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000760811296 723094726 /nfs/dbraw/zinc/09/47/26/723094726.db2.gz CDVINSNVROINFM-INIZCTEOSA-N 0 3 358.404 3.030 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCO[C@H]1C ZINC000631013516 716546426 /nfs/dbraw/zinc/54/64/26/716546426.db2.gz XAMORTNGFRPZQP-JKSUJKDBSA-N 0 3 350.532 3.010 20 30 FGEDHN C=CCCn1cc(CNC[C@H](c2cccs2)N2CCC(C)CC2)nn1 ZINC000657288979 719618665 /nfs/dbraw/zinc/61/86/65/719618665.db2.gz CNEOJQXBQHSHEG-GOSISDBHSA-N 0 3 359.543 3.479 20 30 FGEDHN N#Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164900004 721515221 /nfs/dbraw/zinc/51/52/21/721515221.db2.gz MZZYHFPPJUYQHN-GOEBONIOSA-N 0 3 372.831 3.088 20 30 FGEDHN Cc1cc(C#N)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164906403 721527578 /nfs/dbraw/zinc/52/75/78/721527578.db2.gz KYTKTBRCDZSIFK-QUCCMNQESA-N 0 3 366.440 3.051 20 30 FGEDHN C=CCOC[C@H]1CCC[C@@]12CN(c1ncccc1CN1CCCC1)CCO2 ZINC001164980306 722169717 /nfs/dbraw/zinc/16/97/17/722169717.db2.gz XKVAZCURFUKSTG-IFMALSPDSA-N 0 3 371.525 3.256 20 30 FGEDHN C#CCCN1CCN(CCCc2ccc(Br)cc2OC)CC1 ZINC000784222541 724833967 /nfs/dbraw/zinc/83/39/67/724833967.db2.gz KSXVGDMNJLZKHM-UHFFFAOYSA-N 0 3 365.315 3.031 20 30 FGEDHN N#CC(C(=O)CSC[C@H]1CCCCO1)C(=O)Nc1ccccc1Cl ZINC000727626623 722445756 /nfs/dbraw/zinc/44/57/56/722445756.db2.gz DQSDJLPDFHKTOA-CHWSQXEVSA-N 0 3 366.870 3.290 20 30 FGEDHN CCC(=O)N[C@H](C)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000729070237 722456795 /nfs/dbraw/zinc/45/67/95/722456795.db2.gz NCDBBTYVBWRMFR-SCZZXKLOSA-N 0 3 369.368 3.406 20 30 FGEDHN C[C@@H](NC(=O)C1CCCC1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422283 722468341 /nfs/dbraw/zinc/46/83/41/722468341.db2.gz VMMMHMXCUZXSFZ-ZWNOBZJWSA-N 0 3 359.426 3.307 20 30 FGEDHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733997921 722503224 /nfs/dbraw/zinc/50/32/24/722503224.db2.gz WKEYNLLTJVBCKB-BPUTZDHNSA-N 0 3 357.479 3.098 20 30 FGEDHN C#CCN(Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCCC1 ZINC000744212546 722574602 /nfs/dbraw/zinc/57/46/02/722574602.db2.gz IANJAGUKHYGODI-UHFFFAOYSA-N 0 3 374.282 3.225 20 30 FGEDHN C[C@H](Cc1ccccc1Cl)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000748450150 722691555 /nfs/dbraw/zinc/69/15/55/722691555.db2.gz QLZNMQNCYLMOMW-CQSZACIVSA-N 0 3 362.882 3.206 20 30 FGEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccccn1 ZINC000757838169 722980266 /nfs/dbraw/zinc/98/02/66/722980266.db2.gz DTCFHDCMMZXHFU-HNNXBMFYSA-N 0 3 350.447 3.390 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOCC(F)(F)C(F)F)nc21 ZINC000791814426 723283699 /nfs/dbraw/zinc/28/36/99/723283699.db2.gz RAUUJQZULRHJEE-JTQLQIEISA-N 0 3 357.307 3.355 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCC1=NNC(=S)Nc1ccccn1 ZINC000767806462 723635101 /nfs/dbraw/zinc/63/51/01/723635101.db2.gz ZTQDIMKSDHHCOJ-OAHLLOKOSA-N 0 3 353.495 3.266 20 30 FGEDHN CC1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C#N ZINC000769891345 723699287 /nfs/dbraw/zinc/69/92/87/723699287.db2.gz BWLCSJOYGWRIFC-GUYCJALGSA-N 0 3 352.463 3.487 20 30 FGEDHN CON=CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000773870938 723832137 /nfs/dbraw/zinc/83/21/37/723832137.db2.gz DXFQJNPCLFTXBD-UHFFFAOYSA-N 0 3 358.269 3.050 20 30 FGEDHN CN(C)c1ccncc1C=NN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000776186412 724117158 /nfs/dbraw/zinc/11/71/58/724117158.db2.gz YQDRIIXYWUGJJH-UHFFFAOYSA-N 0 3 358.858 3.230 20 30 FGEDHN CCn1cnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000806306191 725123110 /nfs/dbraw/zinc/12/31/10/725123110.db2.gz ITTSYZIBAQOBLD-CYBMUJFWSA-N 0 3 369.475 3.390 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=S)Nc2ccccc2C#N)cc1 ZINC000789391501 725126301 /nfs/dbraw/zinc/12/63/01/725126301.db2.gz CCBHWOJUSDWXGP-SFHVURJKSA-N 0 3 354.479 3.156 20 30 FGEDHN C#CCCOc1ccc(CN(C)CCn2cc(Br)cn2)cc1 ZINC000809792874 725269280 /nfs/dbraw/zinc/26/92/80/725269280.db2.gz JWQHIIGRJRIJSG-UHFFFAOYSA-N 0 3 362.271 3.180 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1Cl ZINC000810533715 725313131 /nfs/dbraw/zinc/31/31/31/725313131.db2.gz UKXQQWXWLZZUPK-CMPLNLGQSA-N 0 3 352.843 3.139 20 30 FGEDHN C#CCN(C)CCCNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000818584095 727315182 /nfs/dbraw/zinc/31/51/82/727315182.db2.gz DQHMKCCHZUHLMR-UHFFFAOYSA-N 0 3 355.507 3.041 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000818595861 727315624 /nfs/dbraw/zinc/31/56/24/727315624.db2.gz OUIDVDPNKTXEAW-UHFFFAOYSA-N 0 3 361.898 3.457 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000818611819 727316770 /nfs/dbraw/zinc/31/67/70/727316770.db2.gz DRCGPWALQGBSFV-UHFFFAOYSA-N 0 3 366.305 3.409 20 30 FGEDHN C#CCOc1ccccc1CNC[C@@H](O)COCc1ccccc1Cl ZINC000819071893 727344590 /nfs/dbraw/zinc/34/45/90/727344590.db2.gz DBTNNWRVCSGYQD-GOSISDBHSA-N 0 3 359.853 3.019 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000822836483 729223565 /nfs/dbraw/zinc/22/35/65/729223565.db2.gz GJWKXOJVOWMJKH-KRWDZBQOSA-N 0 3 368.308 3.422 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1sccc1Br ZINC000835055978 729853721 /nfs/dbraw/zinc/85/37/21/729853721.db2.gz CNUWRTYWIMKJPL-JTQLQIEISA-N 0 3 357.273 3.068 20 30 FGEDHN CC[C@@H]1COC(C)(C)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000844388118 730711482 /nfs/dbraw/zinc/71/14/82/730711482.db2.gz WUDZUECXGOVPSQ-KGLIPLIRSA-N 0 3 357.479 3.362 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2CCCC#N)C1 ZINC000844461551 730721992 /nfs/dbraw/zinc/72/19/92/730721992.db2.gz KLVIWMQCAWDSQO-IKGGRYGDSA-N 0 3 351.491 3.217 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)C(=O)C[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000845529305 730862557 /nfs/dbraw/zinc/86/25/57/730862557.db2.gz UZSLMXALJDESGF-QKCSRTOESA-N 0 3 369.248 3.449 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848572571 731184215 /nfs/dbraw/zinc/18/42/15/731184215.db2.gz ZSKZHQRRNKOIEK-DYVFJYSZSA-N 0 3 350.846 3.452 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1Cl ZINC000850761743 731386222 /nfs/dbraw/zinc/38/62/22/731386222.db2.gz RLEMZVZTXWAFJC-LALPHHSUSA-N 0 3 364.829 3.200 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@H](CC)c1ccc(Br)cc1 ZINC000861838019 732739012 /nfs/dbraw/zinc/73/90/12/732739012.db2.gz OEBDIXAGEYCBCQ-MRXNPFEDSA-N 0 3 351.288 3.014 20 30 FGEDHN C#CC[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000862445398 732837768 /nfs/dbraw/zinc/83/77/68/732837768.db2.gz SFJPRYXCZPCQMV-HNNXBMFYSA-N 0 3 363.299 3.131 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(C)(C)COC ZINC000865348777 733183391 /nfs/dbraw/zinc/18/33/91/733183391.db2.gz CAROZMZJOXDKCC-UHFFFAOYSA-N 0 3 352.548 3.257 20 30 FGEDHN N#CCc1ccsc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000866364049 733340308 /nfs/dbraw/zinc/34/03/08/733340308.db2.gz OUCKQWISZXZKCI-UHFFFAOYSA-N 0 3 355.463 3.023 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872314933 735615178 /nfs/dbraw/zinc/61/51/78/735615178.db2.gz IPEHDMJLSVHNBU-YJLNNSPDSA-N 0 3 359.495 3.178 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000876551678 736113168 /nfs/dbraw/zinc/11/31/68/736113168.db2.gz XYHRYVCVKSEEJH-LLVKDONJSA-N 0 3 366.767 3.139 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000876645072 736126152 /nfs/dbraw/zinc/12/61/52/736126152.db2.gz KOFGPQRCPTVQPG-CABCVRRESA-N 0 3 360.845 3.260 20 30 FGEDHN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884330626 737656394 /nfs/dbraw/zinc/65/63/94/737656394.db2.gz RZHIYXQMPBYHJP-WELLJHPMSA-N 0 3 366.292 3.180 20 30 FGEDHN C#CCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C1CCN(C)CC1 ZINC000886575877 739271619 /nfs/dbraw/zinc/27/16/19/739271619.db2.gz NOHWULZUFHEADN-CQSZACIVSA-N 0 3 352.400 3.365 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N(C)Cc2cc(C#N)cs2)N(C)C)cc1 ZINC000892409581 739998194 /nfs/dbraw/zinc/99/81/94/739998194.db2.gz IKDFXAWOZSTOSE-SFHVURJKSA-N 0 3 356.495 3.373 20 30 FGEDHN N#CC(C(=O)CCCc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000892457176 740002401 /nfs/dbraw/zinc/00/24/01/740002401.db2.gz FHSLQOGZHRZAEB-OAHLLOKOSA-N 0 3 363.255 3.103 20 30 FGEDHN CCO/C=C\[C@](O)(CNCc1ccc(C2(C#N)CC2)cc1)C(F)(F)F ZINC000895716474 742446301 /nfs/dbraw/zinc/44/63/01/742446301.db2.gz IHTKTNAQJOAROU-IBSYWUHOSA-N 0 3 354.372 3.175 20 30 FGEDHN CCO/C=C/[C@](O)(CNCc1ccc(C2(C#N)CC2)cc1)C(F)(F)F ZINC000895716473 742446354 /nfs/dbraw/zinc/44/63/54/742446354.db2.gz IHTKTNAQJOAROU-FVNWOWOISA-N 0 3 354.372 3.175 20 30 FGEDHN CC[C@H](NCc1cccc(N(C)S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000903424168 743848657 /nfs/dbraw/zinc/84/86/57/743848657.db2.gz NLTRXHYHWPVJNW-IBGZPJMESA-N 0 3 357.479 3.195 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2csc(C)c2)CC1(C)C ZINC000941046850 762172450 /nfs/dbraw/zinc/17/24/50/762172450.db2.gz NIWKNQDWTFOPBZ-SQNIBIBYSA-N 0 3 362.539 3.364 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000916875144 758148409 /nfs/dbraw/zinc/14/84/09/758148409.db2.gz SYFLISWRAHENLS-DZGCQCFKSA-N 0 3 350.846 3.431 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCC1CCC(S(C)(=O)=O)CC1 ZINC000922419171 758920626 /nfs/dbraw/zinc/92/06/26/758920626.db2.gz MYQKZQSKFYJZPH-UHFFFAOYSA-N 0 3 369.914 3.045 20 30 FGEDHN C#CCN(C(=O)NCCc1cc2ccccc2s1)C1CCN(C)CC1 ZINC000922619814 758963594 /nfs/dbraw/zinc/96/35/94/758963594.db2.gz UQBQEVSPUXVPHF-UHFFFAOYSA-N 0 3 355.507 3.183 20 30 FGEDHN OC1(CCN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCC1 ZINC000932941309 761280793 /nfs/dbraw/zinc/28/07/93/761280793.db2.gz ACYUXVYJNPREQD-DTORHVGOSA-N 0 3 367.280 3.394 20 30 FGEDHN C[C@H](O)CCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945037 761281610 /nfs/dbraw/zinc/28/16/10/761281610.db2.gz PVRVDFIJHTYPHG-XHNCKOQMSA-N 0 3 355.269 3.250 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000970242361 762873722 /nfs/dbraw/zinc/87/37/22/762873722.db2.gz XDRYOHIPQVLHEL-VKJFTORMSA-N 0 3 366.864 3.151 20 30 FGEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000997723565 765079292 /nfs/dbraw/zinc/07/92/92/765079292.db2.gz DIWTUAOZJPMOFB-NWANDNLSSA-N 0 3 350.915 3.355 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC000999182387 765144078 /nfs/dbraw/zinc/14/40/78/765144078.db2.gz PRNDHEJOMVHJOI-LMMKCTJWSA-N 0 3 362.901 3.402 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccc(C)cc2Cl)C1 ZINC001000242652 765209306 /nfs/dbraw/zinc/20/93/06/765209306.db2.gz UAEHUAFLCCYDGV-LMMKCTJWSA-N 0 3 362.901 3.320 20 30 FGEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC001000290732 765215018 /nfs/dbraw/zinc/21/50/18/765215018.db2.gz VTGYCYOBNMHGJH-RBUKOAKNSA-N 0 3 356.897 3.438 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC001008576457 765680925 /nfs/dbraw/zinc/68/09/25/765680925.db2.gz WGNOGBQMAJFDPD-QRVBRYPASA-N 0 3 362.901 3.054 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016867759 765825514 /nfs/dbraw/zinc/82/55/14/765825514.db2.gz NCINOIIWXTZLKQ-QRUNAMSGSA-N 0 3 352.906 3.081 20 30 FGEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001028243510 766121155 /nfs/dbraw/zinc/12/11/55/766121155.db2.gz RWZOTFZIQWAUOJ-QLFBSQMISA-N 0 3 352.400 3.364 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001028549108 766122927 /nfs/dbraw/zinc/12/29/27/766122927.db2.gz MCAVEWAOIYJDOZ-QRQLOZEOSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001032456718 766198483 /nfs/dbraw/zinc/19/84/83/766198483.db2.gz VHRNAGONHDMUIJ-YHUYYLMFSA-N 0 3 360.420 3.128 20 30 FGEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001038885401 766290134 /nfs/dbraw/zinc/29/01/34/766290134.db2.gz CPILONFTAVHOPU-QLFBSQMISA-N 0 3 352.400 3.364 20 30 FGEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001039388929 766294899 /nfs/dbraw/zinc/29/48/99/766294899.db2.gz QYBUZYQCTVTSCH-YYIAUSFCSA-N 0 3 356.432 3.444 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C2CCN(C/C=C\Cl)CC2)C1 ZINC001047258998 766634712 /nfs/dbraw/zinc/63/47/12/766634712.db2.gz JEFIBCSIJQXWLX-YZOCCCIJSA-N 0 3 366.933 3.281 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C2CCN(C/C=C\Cl)CC2)C1 ZINC001047258999 766635041 /nfs/dbraw/zinc/63/50/41/766635041.db2.gz JEFIBCSIJQXWLX-ZCSYXZJTSA-N 0 3 366.933 3.281 20 30 FGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)CC1 ZINC001050694435 766853751 /nfs/dbraw/zinc/85/37/51/766853751.db2.gz ZSHSRPLZIJSUSA-RBUKOAKNSA-N 0 3 356.897 3.391 20 30 FGEDHN COc1cc(Cl)cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1[O-] ZINC000359954741 132375746 /nfs/dbraw/zinc/37/57/46/132375746.db2.gz DUZKELZBONUOIE-UHFFFAOYSA-N 0 3 372.856 3.079 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccnn1-c1ccccn1)C(C)C ZINC000570775440 505577425 /nfs/dbraw/zinc/57/74/25/505577425.db2.gz LWMONDGHMMKXRP-KRWDZBQOSA-N 0 3 368.485 3.087 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000567951724 505582488 /nfs/dbraw/zinc/58/24/88/505582488.db2.gz JAOYPPITWNWOAM-SJORKVTESA-N 0 3 352.459 3.428 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2C[C@H](O)C2(C)C)c1C#N ZINC000576766587 505589716 /nfs/dbraw/zinc/58/97/16/505589716.db2.gz ZTKVSSMRWOOMNR-ROUUACIJSA-N 0 3 372.513 3.169 20 30 FGEDHN CN(C)CCN(Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000579845638 505632182 /nfs/dbraw/zinc/63/21/82/505632182.db2.gz ZSDDNAXOSWHZJH-UHFFFAOYSA-N 0 3 359.477 3.308 20 30 FGEDHN C[C@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCN(C2CCC2)C1 ZINC000577165164 505678445 /nfs/dbraw/zinc/67/84/45/505678445.db2.gz AKHTVXNOEVIOTJ-IIBYNOLFSA-N 0 3 366.509 3.451 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000068386055 493809311 /nfs/dbraw/zinc/80/93/11/493809311.db2.gz DIBFMTOQFQTLFF-MRXNPFEDSA-N 0 3 351.450 3.183 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(CCN2CCSCC2)cc1 ZINC000057932971 493816177 /nfs/dbraw/zinc/81/61/77/493816177.db2.gz IRQQIHNVAPDNSA-GOSISDBHSA-N 0 3 373.566 3.279 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCN(CC(F)(F)F)C2)ccc1OC ZINC000057975133 493817992 /nfs/dbraw/zinc/81/79/92/493817992.db2.gz HTRFPYPNKLCETB-OAHLLOKOSA-N 0 3 358.404 3.376 20 30 FGEDHN CCO[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000076408751 493886965 /nfs/dbraw/zinc/88/69/65/493886965.db2.gz HDBTZQWMOUSJPA-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN CCN1CCC(N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000076484469 493902496 /nfs/dbraw/zinc/90/24/96/493902496.db2.gz BWNCUGYFMRAYOE-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000081729555 493947790 /nfs/dbraw/zinc/94/77/90/493947790.db2.gz XZBJRZQOHDFNNV-PMACEKPBSA-N 0 3 362.477 3.166 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NCC1CCN(Cc2cccs2)CC1 ZINC000061021168 493962534 /nfs/dbraw/zinc/96/25/34/493962534.db2.gz JSHONKADPUZNQF-UHFFFAOYSA-N 0 3 367.518 3.311 20 30 FGEDHN C=CCc1ccc(OCC(=O)NCc2ccccc2CN(C)C)c(OC)c1 ZINC000061232248 493970329 /nfs/dbraw/zinc/97/03/29/493970329.db2.gz QSVSODLNHUACID-UHFFFAOYSA-N 0 3 368.477 3.181 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(C#N)cc1 ZINC000062485249 494014363 /nfs/dbraw/zinc/01/43/63/494014363.db2.gz DRYMIVPLRNOYQJ-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCN(CC2CCCCC2)CC1 ZINC000064129400 494104864 /nfs/dbraw/zinc/10/48/64/494104864.db2.gz CIGUIYRLDOSZJI-UHFFFAOYSA-N 0 3 354.498 3.085 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000085403144 494122154 /nfs/dbraw/zinc/12/21/54/494122154.db2.gz KFIKNPFICFKNOR-OAQYLSRUSA-N 0 3 371.525 3.108 20 30 FGEDHN C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)c1ccc(C#N)cc1 ZINC000041455730 494163459 /nfs/dbraw/zinc/16/34/59/494163459.db2.gz WJPQMGANCNCLGI-MRXNPFEDSA-N 0 3 372.538 3.280 20 30 FGEDHN N#CC(C(=O)c1cccc(C(N)=O)c1)c1nc2ccccc2n1C(F)F ZINC000041556912 494168612 /nfs/dbraw/zinc/16/86/12/494168612.db2.gz MNYKEGCTTZHZJO-GFCCVEGCSA-N 0 3 354.316 3.020 20 30 FGEDHN Cc1cccc(N2CCN(CCCCNC(=O)C3(C#N)CCCC3)CC2)c1 ZINC000041867911 494184552 /nfs/dbraw/zinc/18/45/52/494184552.db2.gz SVMHEOBKBALYGH-UHFFFAOYSA-N 0 3 368.525 3.097 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000054427365 494234994 /nfs/dbraw/zinc/23/49/94/494234994.db2.gz ZKDCSPYWRQYQSA-UHFFFAOYSA-N 0 3 371.824 3.401 20 30 FGEDHN N#CCCn1cc(CNCc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 ZINC000072712621 494237043 /nfs/dbraw/zinc/23/70/43/494237043.db2.gz LLQQOTFDBMOFRV-UHFFFAOYSA-N 0 3 360.417 3.482 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000054537810 494244274 /nfs/dbraw/zinc/24/42/74/494244274.db2.gz JFHZMRPOXKNLTA-UHFFFAOYSA-N 0 3 365.437 3.095 20 30 FGEDHN COC(=O)[C@H](C)[C@H](NCCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000089141095 494268922 /nfs/dbraw/zinc/26/89/22/494268922.db2.gz VDTPDKAJCHXWQO-QRWLVFNGSA-N 0 3 368.433 3.086 20 30 FGEDHN N#CCC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000574188133 505715102 /nfs/dbraw/zinc/71/51/02/505715102.db2.gz JNCJHYUKVXSBCL-UHFFFAOYSA-N 0 3 356.495 3.453 20 30 FGEDHN Cc1nc(NC(=O)C2Oc3ccccc3O[C@@H]2C)sc1SCC#N ZINC000044789994 494381538 /nfs/dbraw/zinc/38/15/38/494381538.db2.gz NYMKNEOMBBQYKM-ZWNOBZJWSA-N 0 3 361.448 3.234 20 30 FGEDHN C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1OC ZINC000016599924 494395528 /nfs/dbraw/zinc/39/55/28/494395528.db2.gz SMHMJXXEGKYNIX-GOSISDBHSA-N 0 3 354.450 3.293 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000045823170 494466609 /nfs/dbraw/zinc/46/66/09/494466609.db2.gz XJSUDEXGCZQGKW-INIZCTEOSA-N 0 3 362.518 3.318 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(F)cccc2OC(F)F)CC1 ZINC000074130145 494486139 /nfs/dbraw/zinc/48/61/39/494486139.db2.gz DFUUFRAEXVDAQV-UHFFFAOYSA-N 0 3 371.403 3.267 20 30 FGEDHN C=CCCOCCN[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000090883758 494501326 /nfs/dbraw/zinc/50/13/26/494501326.db2.gz LOFHBRKMTNXGDI-KRWDZBQOSA-N 0 3 366.527 3.105 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCSC3(CCCCC3)C2)cc1 ZINC000079771448 494523770 /nfs/dbraw/zinc/52/37/70/494523770.db2.gz WULITVSFWXVXEL-GOSISDBHSA-N 0 3 360.523 3.244 20 30 FGEDHN CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091247090 494572817 /nfs/dbraw/zinc/57/28/17/494572817.db2.gz JRZBABXWAAEBIV-HXUWFJFHSA-N 0 3 362.477 3.461 20 30 FGEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nc2ccccc2n1C ZINC000091318591 494582017 /nfs/dbraw/zinc/58/20/17/494582017.db2.gz ROFGHJUEEYPHBR-HNNXBMFYSA-N 0 3 360.465 3.160 20 30 FGEDHN C=C(C)COc1cc(CNCCc2nnc3n2CCCCC3)ccc1OC ZINC000067697885 494613162 /nfs/dbraw/zinc/61/31/62/494613162.db2.gz BJWZBJOSJBQKCO-UHFFFAOYSA-N 0 3 370.497 3.300 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000047010348 494614764 /nfs/dbraw/zinc/61/47/64/494614764.db2.gz QCSGGIIXNMDLEC-UHFFFAOYSA-N 0 3 355.869 3.345 20 30 FGEDHN CC(C)n1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000574272531 505734810 /nfs/dbraw/zinc/73/48/10/505734810.db2.gz MVATUNZIPJHNPH-SFHVURJKSA-N 0 3 350.470 3.071 20 30 FGEDHN COCCOc1cccc(CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000091792317 494681087 /nfs/dbraw/zinc/68/10/87/494681087.db2.gz QVGRJTMPFIBLAQ-UHFFFAOYSA-N 0 3 365.477 3.296 20 30 FGEDHN C=CCc1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc(OC)c1O ZINC000092661688 494700071 /nfs/dbraw/zinc/70/00/71/494700071.db2.gz GJRDDSIZURAZIE-IBGZPJMESA-N 0 3 361.482 3.289 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(C)C ZINC000047633502 494749575 /nfs/dbraw/zinc/74/95/75/494749575.db2.gz JZJYKFBVTFQPCM-MJGOQNOKSA-N 0 3 373.472 3.066 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000092056076 494771616 /nfs/dbraw/zinc/77/16/16/494771616.db2.gz AYOPRXRQOKJRJB-KRWDZBQOSA-N 0 3 355.482 3.202 20 30 FGEDHN Cc1ccc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000116554437 494813330 /nfs/dbraw/zinc/81/33/30/494813330.db2.gz OJUKJSLFUSUXFO-UHFFFAOYSA-N 0 3 364.493 3.183 20 30 FGEDHN C=CCOc1ccc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC)cc1OC ZINC000093613872 494905204 /nfs/dbraw/zinc/90/52/04/494905204.db2.gz CEBOJWOUPAZBGI-UXHICEINSA-N 0 3 361.482 3.012 20 30 FGEDHN C=CCOc1ccc(CN2CCC3(CC2)[C@H](OCC)C[C@@H]3O)cc1OC ZINC000093613869 494905668 /nfs/dbraw/zinc/90/56/68/494905668.db2.gz CEBOJWOUPAZBGI-VQTJNVASSA-N 0 3 361.482 3.012 20 30 FGEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CCN(c2cccc(F)c2)CC1 ZINC000093684392 494912425 /nfs/dbraw/zinc/91/24/25/494912425.db2.gz MUZWQLHUPNQEHY-UHFFFAOYSA-N 0 3 363.440 3.446 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@](C)(CO)C2CCCCC2)c1 ZINC000133021662 494956927 /nfs/dbraw/zinc/95/69/27/494956927.db2.gz FAGAXSDGYRBYGL-QFIPXVFZSA-N 0 3 371.525 3.471 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CN1C1CC1 ZINC000127916359 495016666 /nfs/dbraw/zinc/01/66/66/495016666.db2.gz FUAAGJXQLHICBN-DJABAAGCSA-N 0 3 352.482 3.093 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CCN1C ZINC000122751221 495025317 /nfs/dbraw/zinc/02/53/17/495025317.db2.gz PQLSYKNGQGCKMB-WBVHZDCISA-N 0 3 367.449 3.285 20 30 FGEDHN C[C@H](CCNCc1cccc(OCc2cccc(C#N)c2)c1)[S@](C)=O ZINC000133707673 495049403 /nfs/dbraw/zinc/04/94/03/495049403.db2.gz QMSWTHIWDQEGBV-PUAOIOHZSA-N 0 3 356.491 3.384 20 30 FGEDHN C=CC1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000111257441 495055258 /nfs/dbraw/zinc/05/52/58/495055258.db2.gz YARWISHWFGSFKS-LJQANCHMSA-N 0 3 358.482 3.265 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC000133756423 495057397 /nfs/dbraw/zinc/05/73/97/495057397.db2.gz BFAYZGQIXRXBIZ-UHFFFAOYSA-N 0 3 365.412 3.165 20 30 FGEDHN O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H]1CCN(CC2CC2)C1 ZINC000111769835 495109720 /nfs/dbraw/zinc/10/97/20/495109720.db2.gz ORALTZPUSIHPLY-NRFANRHFSA-N 0 3 360.461 3.087 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000119260975 495129286 /nfs/dbraw/zinc/12/92/86/495129286.db2.gz LJYFMGYURBUMNX-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN CC(C)[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000102691301 495153494 /nfs/dbraw/zinc/15/34/94/495153494.db2.gz IYFYABLLMQNXPG-HXUWFJFHSA-N 0 3 371.481 3.087 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000134958631 495231237 /nfs/dbraw/zinc/23/12/37/495231237.db2.gz GBJPZVGTAVWDIT-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN C#CCCOc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000113326760 495296739 /nfs/dbraw/zinc/29/67/39/495296739.db2.gz YDZLFOQRKCNLHE-UHFFFAOYSA-N 0 3 350.462 3.215 20 30 FGEDHN N#Cc1cccc(OC2CCN(CCOCCOc3ccccc3)CC2)c1 ZINC000104712675 495300447 /nfs/dbraw/zinc/30/04/47/495300447.db2.gz VWGANNSUGDBLFH-UHFFFAOYSA-N 0 3 366.461 3.497 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000106034229 495406391 /nfs/dbraw/zinc/40/63/91/495406391.db2.gz ZJRQTPXTRITURG-UHFFFAOYSA-N 0 3 360.473 3.031 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCc2c(C)nn(CC(C)C)c2C)CC1 ZINC000106038362 495406492 /nfs/dbraw/zinc/40/64/92/495406492.db2.gz LUFNTFIIJLHYHP-UHFFFAOYSA-N 0 3 360.546 3.245 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2Br)CC1 ZINC000106038779 495407164 /nfs/dbraw/zinc/40/71/64/495407164.db2.gz GCEZRFLZSAFZEB-UHFFFAOYSA-N 0 3 355.251 3.359 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000130783945 495445196 /nfs/dbraw/zinc/44/51/96/495445196.db2.gz HFZRTLLMYOWSFY-UHFFFAOYSA-N 0 3 371.506 3.219 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCNc2nc3ccccc3s2)CC1 ZINC000106332879 495445783 /nfs/dbraw/zinc/44/57/83/495445783.db2.gz SIWGLNKQYDPNDT-UHFFFAOYSA-N 0 3 373.526 3.048 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1 ZINC000106341211 495446275 /nfs/dbraw/zinc/44/62/75/495446275.db2.gz KFZTVYLCSGJQJT-UHFFFAOYSA-N 0 3 358.530 3.325 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000106340960 495446524 /nfs/dbraw/zinc/44/65/24/495446524.db2.gz JYKAUVULSLVGKV-UHFFFAOYSA-N 0 3 352.482 3.296 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115321335 495490195 /nfs/dbraw/zinc/49/01/95/495490195.db2.gz BUBCCYHTDKODFC-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN N#Cc1ccc(OCc2cccc(C(=O)NCCN3CCCCC3)c2)cc1 ZINC000115333893 495491949 /nfs/dbraw/zinc/49/19/49/495491949.db2.gz CZRKSHVYANZDLW-UHFFFAOYSA-N 0 3 363.461 3.353 20 30 FGEDHN COC(=O)COc1c(C)cc(CN(C)Cc2ccc(C#N)cc2)cc1C ZINC000131207437 495507015 /nfs/dbraw/zinc/50/70/15/495507015.db2.gz WKCKVBCMAWMDDJ-UHFFFAOYSA-N 0 3 352.434 3.359 20 30 FGEDHN N#Cc1ccc([C@H](NCCCc2cccc(Br)c2)C(N)=O)cc1 ZINC000115599874 495521046 /nfs/dbraw/zinc/52/10/46/495521046.db2.gz ATEVKOOJPBWHLT-KRWDZBQOSA-N 0 3 372.266 3.070 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNCCOC[C@@H]2CCCO2)c1 ZINC000115625746 495521384 /nfs/dbraw/zinc/52/13/84/495521384.db2.gz HPCIPGCJTVINLY-QFIPXVFZSA-N 0 3 366.461 3.422 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnc(Cc3ccccc3F)s2)CC1 ZINC000185330795 495534575 /nfs/dbraw/zinc/53/45/75/495534575.db2.gz MECWDIHYWMPJCN-UHFFFAOYSA-N 0 3 359.470 3.253 20 30 FGEDHN C=CCSCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000176242446 495560555 /nfs/dbraw/zinc/56/05/55/495560555.db2.gz WOOVLTNQTFXEAT-GOEBONIOSA-N 0 3 353.557 3.349 20 30 FGEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000150135932 495606491 /nfs/dbraw/zinc/60/64/91/495606491.db2.gz KKLHUTGCVKBKMO-SFHVURJKSA-N 0 3 365.433 3.049 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H](C)[C@H]2COc3ccccc32)c(C#N)c1C ZINC000185634988 495655936 /nfs/dbraw/zinc/65/59/36/495655936.db2.gz AACWJAWFKJEYQA-BLLLJJGKSA-N 0 3 355.463 3.329 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](C#N)C3CCCCC3)cc2)CC1 ZINC000176614326 495721451 /nfs/dbraw/zinc/72/14/51/495721451.db2.gz SZRFBOXHIHEQRG-OAQYLSRUSA-N 0 3 368.525 3.419 20 30 FGEDHN C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000173995359 495780190 /nfs/dbraw/zinc/78/01/90/495780190.db2.gz JQFPRBHMZZULGG-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186024222 495824598 /nfs/dbraw/zinc/82/45/98/495824598.db2.gz MNIAXOWHAZWTBT-APWZRJJASA-N 0 3 358.449 3.386 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000180067476 495842983 /nfs/dbraw/zinc/84/29/83/495842983.db2.gz LGQNCDSWAWCRJH-INIZCTEOSA-N 0 3 356.470 3.460 20 30 FGEDHN C=CCCOCCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186185808 495889530 /nfs/dbraw/zinc/88/95/30/495889530.db2.gz UFJMCWCBWKYWAF-MOPGFXCFSA-N 0 3 351.512 3.262 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNc1ccc2nnc(C(F)F)n2n1)C(C)C ZINC000160124780 495890027 /nfs/dbraw/zinc/89/00/27/495890027.db2.gz KYGIMQYIZWHEEE-ZDUSSCGKSA-N 0 3 350.417 3.172 20 30 FGEDHN Cn1cc(CNC[C@](C)(O)c2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180349377 495962363 /nfs/dbraw/zinc/96/23/63/495962363.db2.gz QVGIEIWEEUAUQI-NRFANRHFSA-N 0 3 364.424 3.095 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177303633 496011297 /nfs/dbraw/zinc/01/12/97/496011297.db2.gz QQYKCCWHALNCOK-MSOLQXFVSA-N 0 3 364.493 3.296 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)CC1 ZINC000171736555 496013674 /nfs/dbraw/zinc/01/36/74/496013674.db2.gz RXZZRTSNJXZDQM-UHFFFAOYSA-N 0 3 371.460 3.400 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000177308165 496014032 /nfs/dbraw/zinc/01/40/32/496014032.db2.gz JVVZTLDDJVYIEO-UXHICEINSA-N 0 3 368.525 3.109 20 30 FGEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000180624614 496074146 /nfs/dbraw/zinc/07/41/46/496074146.db2.gz XSBGHDVGBJABDO-NVXWUHKLSA-N 0 3 371.481 3.230 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2c[nH]c3c2cccc3CC)CC1 ZINC000171907747 496086850 /nfs/dbraw/zinc/08/68/50/496086850.db2.gz ZEAAYWJZJJLPPJ-UHFFFAOYSA-N 0 3 354.498 3.222 20 30 FGEDHN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(C#N)c1 ZINC000186703720 496113647 /nfs/dbraw/zinc/11/36/47/496113647.db2.gz KZBUWYDAGJRUGD-CQSZACIVSA-N 0 3 373.453 3.088 20 30 FGEDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000186712104 496117065 /nfs/dbraw/zinc/11/70/65/496117065.db2.gz CMAWLLRZNHCJPA-GOSISDBHSA-N 0 3 365.861 3.108 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000177831772 496215051 /nfs/dbraw/zinc/21/50/51/496215051.db2.gz JIKJDIOPYNDTIU-KGLIPLIRSA-N 0 3 364.396 3.250 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)CC1 ZINC000172384283 496276672 /nfs/dbraw/zinc/27/66/72/496276672.db2.gz VBEYSJXQMANZAV-AEFFLSMTSA-N 0 3 357.498 3.233 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178059340 496309567 /nfs/dbraw/zinc/30/95/67/496309567.db2.gz WEFDZZHTUOJFHI-SFHVURJKSA-N 0 3 363.461 3.079 20 30 FGEDHN C=CC[C@@H](CO)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000184286009 496319516 /nfs/dbraw/zinc/31/95/16/496319516.db2.gz DRZPLFWIVNOAEO-JTQLQIEISA-N 0 3 366.202 3.086 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000184335537 496340758 /nfs/dbraw/zinc/34/07/58/496340758.db2.gz NGJFZYHGGLURRQ-SJLPKXTDSA-N 0 3 366.465 3.272 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Nc3cccc(C)c3)CC2)CC1 ZINC000172655523 496377395 /nfs/dbraw/zinc/37/73/95/496377395.db2.gz CQFHNHLNAJXQNL-UHFFFAOYSA-N 0 3 356.514 3.231 20 30 FGEDHN C[C@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(C#N)c1 ZINC000181402601 496380429 /nfs/dbraw/zinc/38/04/29/496380429.db2.gz RWGODJNZRYNOAK-KKSFZXQISA-N 0 3 353.441 3.421 20 30 FGEDHN CN(C)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000178262117 496392146 /nfs/dbraw/zinc/39/21/46/496392146.db2.gz KMYFMWPTDLRDRB-UHFFFAOYSA-N 0 3 351.450 3.094 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCSC3(CCCCC3)C2)CC1 ZINC000175511028 496420451 /nfs/dbraw/zinc/42/04/51/496420451.db2.gz ZWJHJZLOKPGOOP-UHFFFAOYSA-N 0 3 351.560 3.488 20 30 FGEDHN C[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cccc(C#N)c1 ZINC000181592869 496460944 /nfs/dbraw/zinc/46/09/44/496460944.db2.gz BUBLISRSIRBHIH-IIBYNOLFSA-N 0 3 353.441 3.421 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC[C@@H](C#N)CCC#N)CC1 ZINC000181628952 496476067 /nfs/dbraw/zinc/47/60/67/496476067.db2.gz UUGWDSATFVPAPQ-IAGOWNOFSA-N 0 3 357.477 3.062 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000175660195 496488902 /nfs/dbraw/zinc/48/89/02/496488902.db2.gz HGELPGQSAAWOEY-JXMROGBWSA-N 0 3 369.490 3.254 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178572530 496503489 /nfs/dbraw/zinc/50/34/89/496503489.db2.gz QVLRACNTJUPBDT-HOTGVXAUSA-N 0 3 370.497 3.220 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000173199249 496590473 /nfs/dbraw/zinc/59/04/73/496590473.db2.gz TYFNLWQSANBWAG-CQSZACIVSA-N 0 3 351.878 3.057 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000188055438 496664986 /nfs/dbraw/zinc/66/49/86/496664986.db2.gz GZSMJJJUKYLCLJ-LPHOPBHVSA-N 0 3 371.525 3.276 20 30 FGEDHN CN(Cc1ccc(Cl)cc1C#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188317822 496750933 /nfs/dbraw/zinc/75/09/33/496750933.db2.gz LJHLTNZZXNNURU-NRFANRHFSA-N 0 3 369.896 3.280 20 30 FGEDHN Cc1c(Cl)cnc(N(C)C2CCN(CCc3ccccn3)CC2)c1C#N ZINC000273355425 496781787 /nfs/dbraw/zinc/78/17/87/496781787.db2.gz PVZLJCWZJNRHSJ-UHFFFAOYSA-N 0 3 369.900 3.453 20 30 FGEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000188450093 496794832 /nfs/dbraw/zinc/79/48/32/496794832.db2.gz SCFQHJZCZHHFCM-GHTZIAJQSA-N 0 3 357.498 3.394 20 30 FGEDHN N#Cc1ccc(OC2CCN(CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000264078873 496806849 /nfs/dbraw/zinc/80/68/49/496806849.db2.gz CWAJGNIEMQUQIT-UHFFFAOYSA-N 0 3 374.444 3.302 20 30 FGEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273440755 496807229 /nfs/dbraw/zinc/80/72/29/496807229.db2.gz NEBNCHCEVXNVQC-OALUTQOASA-N 0 3 373.472 3.320 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 ZINC000264338593 496876044 /nfs/dbraw/zinc/87/60/44/496876044.db2.gz HQRCBLFDGGZIAC-UHFFFAOYSA-N 0 3 371.403 3.164 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N(C)C(=O)OCC)cc2)CC1 ZINC000264439256 496901095 /nfs/dbraw/zinc/90/10/95/496901095.db2.gz ZBCKJNOEVZMMPN-UHFFFAOYSA-N 0 3 374.485 3.441 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000572032514 505873924 /nfs/dbraw/zinc/87/39/24/505873924.db2.gz ALWOYCUXEIDHOG-WSTZPKSXSA-N 0 3 371.525 3.189 20 30 FGEDHN CN(C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1)C(=O)OC(C)(C)C ZINC000264567148 496931704 /nfs/dbraw/zinc/93/17/04/496931704.db2.gz PZLYLEBTXGNCLJ-KRWDZBQOSA-N 0 3 359.470 3.278 20 30 FGEDHN CC(C)[C@@H](C(=O)NCCSCc1ccccc1C#N)N1CCCCC1 ZINC000195663654 496959149 /nfs/dbraw/zinc/95/91/49/496959149.db2.gz SDEGZAYSZMDLMR-IBGZPJMESA-N 0 3 359.539 3.418 20 30 FGEDHN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C#N)c(F)c1 ZINC000274030823 496997712 /nfs/dbraw/zinc/99/77/12/496997712.db2.gz HAJJCWUQSICJAB-CQSZACIVSA-N 0 3 373.453 3.088 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000192157390 497016022 /nfs/dbraw/zinc/01/60/22/497016022.db2.gz GGILFUVAQQJALS-PKOBYXMFSA-N 0 3 357.816 3.412 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)c1ccccc1 ZINC000580971780 505879892 /nfs/dbraw/zinc/87/98/92/505879892.db2.gz JEPWIKDHEIMYTR-HBFSDRIKSA-N 0 3 371.525 3.047 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)OCC ZINC000270047379 497046698 /nfs/dbraw/zinc/04/66/98/497046698.db2.gz LLZQLYCADWMHNI-GOSISDBHSA-N 0 3 350.528 3.448 20 30 FGEDHN CC[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278256021 497053311 /nfs/dbraw/zinc/05/33/11/497053311.db2.gz NDNCUOIMSJTFLC-NRFANRHFSA-N 0 3 363.461 3.272 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000574912031 505882025 /nfs/dbraw/zinc/88/20/25/505882025.db2.gz MSMRVQSYWOSFNW-LPHOPBHVSA-N 0 3 372.852 3.455 20 30 FGEDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000248716897 497086591 /nfs/dbraw/zinc/08/65/91/497086591.db2.gz FGJVKJSOBFKQJV-NLWGTHIKSA-N 0 3 369.509 3.475 20 30 FGEDHN CC[C@@H](C)[N-]C(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccccc1 ZINC000278390766 497098859 /nfs/dbraw/zinc/09/88/59/497098859.db2.gz ZZGLNVZQFJMQAR-CQSZACIVSA-O 0 3 371.482 3.088 20 30 FGEDHN N#C[C@@]1(NC(=O)c2ccc(CN3CCCC3)cc2)CCc2ccccc2C1 ZINC000274490222 497109956 /nfs/dbraw/zinc/10/99/56/497109956.db2.gz QYJSSKOJWIXTFQ-HSZRJFAPSA-N 0 3 359.473 3.463 20 30 FGEDHN COC(=O)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000248886002 497125980 /nfs/dbraw/zinc/12/59/80/497125980.db2.gz HSJJJJQQOUJQSU-VQIMIIECSA-N 0 3 366.465 3.095 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000278519257 497141571 /nfs/dbraw/zinc/14/15/71/497141571.db2.gz CJNRHAVUWQATER-CPUCHLNUSA-N 0 3 361.467 3.169 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000278523253 497142941 /nfs/dbraw/zinc/14/29/41/497142941.db2.gz CXAOYYAPEYNJAK-GFCCVEGCSA-N 0 3 361.467 3.025 20 30 FGEDHN COCc1ccccc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278614640 497168512 /nfs/dbraw/zinc/16/85/12/497168512.db2.gz JDXUZAYYTFLEQH-UHFFFAOYSA-N 0 3 361.449 3.295 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@H](C)[C@H](N)c2ccccc2)cc(OC)c1OC ZINC000237352692 497223939 /nfs/dbraw/zinc/22/39/39/497223939.db2.gz YOVLONSERMJMPA-QRWLVFNGSA-N 0 3 368.477 3.385 20 30 FGEDHN COC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C#N)n1 ZINC000581022502 505892672 /nfs/dbraw/zinc/89/26/72/505892672.db2.gz XDTRKLQHODTJAN-WBVHZDCISA-N 0 3 364.449 3.205 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000237579657 497258171 /nfs/dbraw/zinc/25/81/71/497258171.db2.gz HLTNBJQJCQAKDR-DNVCBOLYSA-N 0 3 353.422 3.446 20 30 FGEDHN CO[C@]1(C)C[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000278990229 497293739 /nfs/dbraw/zinc/29/37/39/497293739.db2.gz BDAOBNDTXKKVBG-GHTZIAJQSA-N 0 3 367.497 3.494 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2nnc(/C=C\c3ccco3)s2)CC1 ZINC000255306143 497363517 /nfs/dbraw/zinc/36/35/17/497363517.db2.gz ITFQRQRBWFQZGC-WAYWQWQTSA-N 0 3 359.455 3.073 20 30 FGEDHN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279201425 497366506 /nfs/dbraw/zinc/36/65/06/497366506.db2.gz AUXZXRJVERUPRV-BBRMVZONSA-N 0 3 369.371 3.102 20 30 FGEDHN COc1ccc(CNCc2ccc(C)nc2-n2cc(Cl)cn2)cc1C#N ZINC000190303446 497430282 /nfs/dbraw/zinc/43/02/82/497430282.db2.gz PSMSKLGLHBFMHA-UHFFFAOYSA-N 0 3 367.840 3.399 20 30 FGEDHN CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000275970964 497472814 /nfs/dbraw/zinc/47/28/14/497472814.db2.gz NPODLIWGWIGDBR-VDZCTEQFSA-N 0 3 374.488 3.480 20 30 FGEDHN N#Cc1cc(Br)cc(COC(=O)C2CCN(C3CC3)CC2)c1 ZINC000279571988 497474744 /nfs/dbraw/zinc/47/47/44/497474744.db2.gz LUKLDUKIXJHPQK-UHFFFAOYSA-N 0 3 363.255 3.238 20 30 FGEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC#N)cc1 ZINC000272233382 497572165 /nfs/dbraw/zinc/57/21/65/497572165.db2.gz RSHZMMDIGONGCE-IERDGZPVSA-N 0 3 374.444 3.307 20 30 FGEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CS2)c1cnc2ccccc2n1 ZINC000190896043 497637468 /nfs/dbraw/zinc/63/74/68/497637468.db2.gz STMFCNABTVCNCY-GFCCVEGCSA-N 0 3 360.398 3.164 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000280107554 497651484 /nfs/dbraw/zinc/65/14/84/497651484.db2.gz PKCHBGAXDLBMLY-RTBURBONSA-N 0 3 351.450 3.239 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000272597677 497676321 /nfs/dbraw/zinc/67/63/21/497676321.db2.gz PBSZJNZZOIBZPE-UHFFFAOYSA-N 0 3 368.481 3.331 20 30 FGEDHN COc1ccccc1COC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194539517 497698906 /nfs/dbraw/zinc/69/89/06/497698906.db2.gz AWRYIEMNOUNTAQ-OAQYLSRUSA-N 0 3 366.461 3.109 20 30 FGEDHN CC(C)[C@@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272694105 497704708 /nfs/dbraw/zinc/70/47/08/497704708.db2.gz DXHNTNBILKMXGS-RTWAWAEBSA-N 0 3 371.525 3.290 20 30 FGEDHN CC[C@H](C)Oc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccn1 ZINC000280361597 497730237 /nfs/dbraw/zinc/73/02/37/497730237.db2.gz RTZAZJJVVHRZKO-KXBFYZLASA-N 0 3 362.433 3.129 20 30 FGEDHN N#CC1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000194673991 497735406 /nfs/dbraw/zinc/73/54/06/497735406.db2.gz UXYXLUWKFHFVCO-GOSISDBHSA-N 0 3 365.399 3.203 20 30 FGEDHN Cn1cc(CNC2(c3ccc(Br)cc3)CCOCC2)cc1C#N ZINC000191192403 497739304 /nfs/dbraw/zinc/73/93/04/497739304.db2.gz PQIKIWLKIXGRRH-UHFFFAOYSA-N 0 3 374.282 3.455 20 30 FGEDHN COc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000194712079 497746763 /nfs/dbraw/zinc/74/67/63/497746763.db2.gz GJHXEEIFBRCKPO-NRFANRHFSA-N 0 3 363.461 3.063 20 30 FGEDHN CN(Cc1nc2c(s1)CCCC2)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280451382 497758029 /nfs/dbraw/zinc/75/80/29/497758029.db2.gz RMORHGFUPHWDOQ-INIZCTEOSA-N 0 3 364.474 3.234 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCc1nnc(C2CCCC2)o1)C(C)C ZINC000268480471 497761443 /nfs/dbraw/zinc/76/14/43/497761443.db2.gz JJQFLHYHDMFURT-SFHVURJKSA-N 0 3 374.529 3.475 20 30 FGEDHN CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS1 ZINC000277237748 497785097 /nfs/dbraw/zinc/78/50/97/497785097.db2.gz MWUCJLWXPCQZGB-SQNIBIBYSA-N 0 3 357.523 3.169 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000280546776 497786996 /nfs/dbraw/zinc/78/69/96/497786996.db2.gz IQKNUAUQZIWHFX-SFHVURJKSA-N 0 3 365.433 3.178 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000280592971 497795677 /nfs/dbraw/zinc/79/56/77/497795677.db2.gz FEIFVFUKIGVXKS-FQEVSTJZSA-N 0 3 358.445 3.157 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000288544552 497826577 /nfs/dbraw/zinc/82/65/77/497826577.db2.gz JNWNIWZYPTZPGR-KRWDZBQOSA-N 0 3 363.461 3.396 20 30 FGEDHN CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000329586577 497836396 /nfs/dbraw/zinc/83/63/96/497836396.db2.gz MMYHMDIGHVZURM-JQHSSLGASA-N 0 3 357.502 3.055 20 30 FGEDHN CN(c1nc(C(F)(F)F)ccc1C#N)C1CCN(c2ccncc2)CC1 ZINC000364231791 497851940 /nfs/dbraw/zinc/85/19/40/497851940.db2.gz RCAFEEJUNRMKKY-UHFFFAOYSA-N 0 3 361.371 3.472 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCN1Cc1ccccc1 ZINC000329679243 497865549 /nfs/dbraw/zinc/86/55/49/497865549.db2.gz XHQADVXRACMHHW-QXCFHYIPSA-N 0 3 370.497 3.004 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000329704663 497874744 /nfs/dbraw/zinc/87/47/44/497874744.db2.gz JPIIFNZCBUUBOU-UXPWSPDFSA-N 0 3 357.498 3.369 20 30 FGEDHN CCCC(=O)N1CCCC[C@H]1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000329709908 497876080 /nfs/dbraw/zinc/87/60/80/497876080.db2.gz LVWZKEPTACDTCL-IBGZPJMESA-N 0 3 371.525 3.223 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CCN1C ZINC000329727381 497881279 /nfs/dbraw/zinc/88/12/79/497881279.db2.gz OTFJVEMJYKERJX-YLJYHZDGSA-N 0 3 371.525 3.297 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000295996026 497884256 /nfs/dbraw/zinc/88/42/56/497884256.db2.gz PZJIKSQFZQBQGP-SFHVURJKSA-N 0 3 369.513 3.101 20 30 FGEDHN Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000329802748 497906631 /nfs/dbraw/zinc/90/66/31/497906631.db2.gz KPPFUTWPQCGGPS-GOSISDBHSA-N 0 3 368.481 3.085 20 30 FGEDHN COc1cc2c(cc1NC(=O)N1CCCC13CCN(C)CC3)NC(=O)CC2 ZINC000329804518 497907856 /nfs/dbraw/zinc/90/78/56/497907856.db2.gz MBQDRIMZRFAVNH-UHFFFAOYSA-N 0 3 372.469 3.335 20 30 FGEDHN CCN1CCC(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC000329834375 497919385 /nfs/dbraw/zinc/91/93/85/497919385.db2.gz UMRZEBJMHHZOJN-LJQANCHMSA-N 0 3 369.513 3.151 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000329849387 497926537 /nfs/dbraw/zinc/92/65/37/497926537.db2.gz RVCLQXLUPBKYIZ-RISCZKNCSA-N 0 3 371.462 3.326 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)C2(C(=O)N(C)C)CC2)c2cccs2)CC1 ZINC000329883119 497938443 /nfs/dbraw/zinc/93/84/43/497938443.db2.gz QTAIBZYBPIRZCQ-HNNXBMFYSA-N 0 3 363.527 3.346 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC000280938502 497958209 /nfs/dbraw/zinc/95/82/09/497958209.db2.gz FZVMMWJPNGMKBV-RVKKMQEKSA-N 0 3 369.346 3.330 20 30 FGEDHN CC(C)c1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1 ZINC000280947172 497961266 /nfs/dbraw/zinc/96/12/66/497961266.db2.gz QCYRKCSNUVSHLC-MRXNPFEDSA-N 0 3 352.463 3.179 20 30 FGEDHN Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC000329977593 497977745 /nfs/dbraw/zinc/97/77/45/497977745.db2.gz GGSBDFJVUXTZTC-WBAXXEDZSA-N 0 3 366.481 3.116 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330090167 498018065 /nfs/dbraw/zinc/01/80/65/498018065.db2.gz WOTAFMCALFFGCJ-DLVXIWMQSA-N 0 3 368.481 3.290 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)N[C@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000330319921 498103979 /nfs/dbraw/zinc/10/39/79/498103979.db2.gz DRIZSYCSAXETCB-YTQUADARSA-N 0 3 359.518 3.148 20 30 FGEDHN C[C@H](CN(C)CC#CCN(C)C[C@@H](C)c1nccs1)c1nccs1 ZINC000569632800 505980370 /nfs/dbraw/zinc/98/03/70/505980370.db2.gz MOVALISUIDEOPZ-HZPDHXFCSA-N 0 3 362.568 3.374 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC000330361554 498118270 /nfs/dbraw/zinc/11/82/70/498118270.db2.gz YMRFUQLGNCCGKR-OIISXLGYSA-N 0 3 354.454 3.054 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000330468195 498136384 /nfs/dbraw/zinc/13/63/84/498136384.db2.gz JXFSLMSSKBVEMG-LLVKDONJSA-N 0 3 370.247 3.455 20 30 FGEDHN CCN1CCN([C@H](C)CNc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301529663 498149569 /nfs/dbraw/zinc/14/95/69/498149569.db2.gz OUYISVKJPUEBBG-QGZVFWFLSA-N 0 3 351.498 3.161 20 30 FGEDHN CCOC(=O)c1cc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c(F)cc1C ZINC000330577522 498154656 /nfs/dbraw/zinc/15/46/56/498154656.db2.gz RULRIIRPBWCCFC-UONOGXRCSA-N 0 3 365.449 3.271 20 30 FGEDHN Cc1nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000364818158 498157626 /nfs/dbraw/zinc/15/76/26/498157626.db2.gz KALXPTNYRVOBPD-IIBYNOLFSA-N 0 3 362.477 3.244 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N=c2cc(C)n(C3CCCCC3)[nH]2)CC1 ZINC000572532472 505991098 /nfs/dbraw/zinc/99/10/98/505991098.db2.gz QEAIOAAKFXUBRB-UHFFFAOYSA-N 0 3 359.518 3.281 20 30 FGEDHN CN(CCCN(C)Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccco1 ZINC000285784555 498199160 /nfs/dbraw/zinc/19/91/60/498199160.db2.gz UJJHIOYXEJEITI-UHFFFAOYSA-N 0 3 365.437 3.155 20 30 FGEDHN COc1cc(CNCc2cccc(CN3CCO[C@H](C)C3)c2)ccc1C#N ZINC000281598833 498207503 /nfs/dbraw/zinc/20/75/03/498207503.db2.gz FRCPCRSTOFALER-QGZVFWFLSA-N 0 3 365.477 3.077 20 30 FGEDHN CCN(Cc1ccccc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C(C)=O ZINC000330875721 498210176 /nfs/dbraw/zinc/21/01/76/498210176.db2.gz FIJDTKFXRJBSEP-INIZCTEOSA-N 0 3 374.529 3.263 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000289597735 498211455 /nfs/dbraw/zinc/21/14/55/498211455.db2.gz BKKOXIWLONRURZ-NVXWUHKLSA-N 0 3 366.465 3.228 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292999104 498229366 /nfs/dbraw/zinc/22/93/66/498229366.db2.gz SOSRPRDXVSWINP-HNAYVOBHSA-N 0 3 358.511 3.498 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000281673748 498232661 /nfs/dbraw/zinc/23/26/61/498232661.db2.gz UAEVDGWHYCJGSJ-GOSISDBHSA-N 0 3 359.429 3.141 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CNCc2cc3ccccc3[nH]2)c(OC)c1 ZINC000572595036 506006883 /nfs/dbraw/zinc/00/68/83/506006883.db2.gz PWQDWRILEQIKCX-LJQANCHMSA-N 0 3 366.461 3.435 20 30 FGEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccc2c(c1)OCC(=O)N2 ZINC000286021473 498270454 /nfs/dbraw/zinc/27/04/54/498270454.db2.gz JSVBJZGUONNJKD-CQSZACIVSA-N 0 3 367.474 3.473 20 30 FGEDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000286030048 498272432 /nfs/dbraw/zinc/27/24/32/498272432.db2.gz KCTPSDAUKUTNDF-UHFFFAOYSA-N 0 3 366.421 3.234 20 30 FGEDHN Cc1cc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C#N)cc1N(C)C ZINC000331236212 498280924 /nfs/dbraw/zinc/28/09/24/498280924.db2.gz GEVDOLYRDMJULJ-HNNXBMFYSA-N 0 3 357.502 3.127 20 30 FGEDHN C[C@@]1(NC(=O)CSc2ccc(C#N)cc2)CCN(Cc2ccccc2)C1 ZINC000572606778 506010095 /nfs/dbraw/zinc/01/00/95/506010095.db2.gz AZFSBUJWPITXCS-OAQYLSRUSA-N 0 3 365.502 3.431 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccco1 ZINC000575828144 506013032 /nfs/dbraw/zinc/01/30/32/506013032.db2.gz HRYRCDXOKSRDJP-ZOBUZTSGSA-N 0 3 355.438 3.164 20 30 FGEDHN C=CCn1c(CC2CC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000575838599 506014865 /nfs/dbraw/zinc/01/48/65/506014865.db2.gz KUZVYLHPCMHKLF-UHFFFAOYSA-N 0 3 351.498 3.129 20 30 FGEDHN C=CCC1(C(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)CCOCC1 ZINC000578777689 506018315 /nfs/dbraw/zinc/01/83/15/506018315.db2.gz UCAVRPZOLARJPI-KRWDZBQOSA-N 0 3 364.917 3.474 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000365186979 498341077 /nfs/dbraw/zinc/34/10/77/498341077.db2.gz LFJQUGGVWPYFKX-MRXNPFEDSA-N 0 3 368.481 3.367 20 30 FGEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000282284867 498451851 /nfs/dbraw/zinc/45/18/51/498451851.db2.gz LGLXNMJDOGRYAS-UHFFFAOYSA-N 0 3 351.450 3.291 20 30 FGEDHN CN(CCC#N)C[C@H](O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000578860611 506038914 /nfs/dbraw/zinc/03/89/14/506038914.db2.gz YIPUAMCEVUDOJF-RTWAWAEBSA-N 0 3 371.912 3.420 20 30 FGEDHN CN1CC[C@@H](CNC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000365484465 498490960 /nfs/dbraw/zinc/49/09/60/498490960.db2.gz ZKMWFNXJVUXLDO-FUHWJXTLSA-N 0 3 354.479 3.112 20 30 FGEDHN C[S@](=O)C1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000282424372 498506283 /nfs/dbraw/zinc/50/62/83/498506283.db2.gz QYTPWVYKWWCMCX-VWLOTQADSA-N 0 3 354.475 3.138 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000297617969 498513954 /nfs/dbraw/zinc/51/39/54/498513954.db2.gz HBMIARSRSVQDEK-ZWCUEREDSA-N 0 3 351.494 3.487 20 30 FGEDHN CC(C)[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000575982360 506048295 /nfs/dbraw/zinc/04/82/95/506048295.db2.gz UOXKZERZSBMZID-FQEVSTJZSA-N 0 3 370.518 3.436 20 30 FGEDHN CC(C)[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000575982361 506048641 /nfs/dbraw/zinc/04/86/41/506048641.db2.gz UOXKZERZSBMZID-HXUWFJFHSA-N 0 3 370.518 3.436 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000302781970 498571746 /nfs/dbraw/zinc/57/17/46/498571746.db2.gz JXACNDPEHFULET-IBGZPJMESA-N 0 3 366.421 3.169 20 30 FGEDHN CO[C@H](C)c1noc(CN2CCCN(CCCCC(C)(C)C#N)CC2)n1 ZINC000365638878 498573284 /nfs/dbraw/zinc/57/32/84/498573284.db2.gz XCKBFYJYISOWQS-MRXNPFEDSA-N 0 3 363.506 3.005 20 30 FGEDHN N#CCc1cccc(C(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000365756474 498627585 /nfs/dbraw/zinc/62/75/85/498627585.db2.gz DHSCKLGXCHUAOU-FGZHOGPDSA-N 0 3 359.473 3.347 20 30 FGEDHN COc1cc(N2CCN(CCCC3(C#N)CCOCC3)CC2)ccc1F ZINC000282865317 498687893 /nfs/dbraw/zinc/68/78/93/498687893.db2.gz UDIQYVGAEZTREI-UHFFFAOYSA-N 0 3 361.461 3.057 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC000287358111 498729017 /nfs/dbraw/zinc/72/90/17/498729017.db2.gz QFHXMSQQBQOGDV-QWHCGFSZSA-N 0 3 361.467 3.167 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2ccncn2)CC1)C(C)C ZINC000298328740 498733291 /nfs/dbraw/zinc/73/32/91/498733291.db2.gz RUKKZUFGMHZTON-HXUWFJFHSA-N 0 3 371.529 3.064 20 30 FGEDHN Cc1cc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)nn1CCC#N ZINC000283046133 498758168 /nfs/dbraw/zinc/75/81/68/498758168.db2.gz HECIJMFQMFGFAF-MRXNPFEDSA-N 0 3 374.876 3.183 20 30 FGEDHN CCN1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000298440203 498771957 /nfs/dbraw/zinc/77/19/57/498771957.db2.gz JOKYVVQBWCJMMZ-UHFFFAOYSA-N 0 3 369.494 3.211 20 30 FGEDHN N#Cc1cc(NC(=O)NC2CCN(C3CC3)CC2)ccc1OC(F)(F)F ZINC000283112303 498783306 /nfs/dbraw/zinc/78/33/06/498783306.db2.gz XRLUOISISWUBQO-UHFFFAOYSA-N 0 3 368.359 3.205 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1ccccc1C#N)[C@H]1OCCc2sccc21 ZINC000298479877 498785873 /nfs/dbraw/zinc/78/58/73/498785873.db2.gz SVKIPDWPGOHTCV-BFUOFWGJSA-N 0 3 355.463 3.240 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 ZINC000294746227 498790965 /nfs/dbraw/zinc/79/09/65/498790965.db2.gz VOXNJDUSPQEIAA-IYJAJMOOSA-N 0 3 365.458 3.121 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000294814952 498814827 /nfs/dbraw/zinc/81/48/27/498814827.db2.gz LPDYFBWZAKOZEI-IBGZPJMESA-N 0 3 353.491 3.242 20 30 FGEDHN CC[C@](C)(C#N)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000287680689 498834327 /nfs/dbraw/zinc/83/43/27/498834327.db2.gz WFDGXTWYBIOXQI-OAQYLSRUSA-N 0 3 357.498 3.114 20 30 FGEDHN CC(C)c1nnc2ccc(NC(=O)N3CCN(C4CCCCC4)CC3)cn21 ZINC000328730963 498917589 /nfs/dbraw/zinc/91/75/89/498917589.db2.gz GHDGZWHMUHFCMC-UHFFFAOYSA-N 0 3 370.501 3.349 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccnc(OCc4ccccc4)c3)[C@@H]2C1 ZINC000328733212 498919505 /nfs/dbraw/zinc/91/95/05/498919505.db2.gz XWVOJCKSCVOPBF-PKOBYXMFSA-N 0 3 366.465 3.232 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291415729 498931849 /nfs/dbraw/zinc/93/18/49/498931849.db2.gz CRZXWGYYTZXOHA-DOTOQJQBSA-N 0 3 365.389 3.007 20 30 FGEDHN CN1CC[C@H](NCC(=O)NC(=O)NC2CCCCC2)[C@H]1c1ccccc1 ZINC000328842245 498958519 /nfs/dbraw/zinc/95/85/19/498958519.db2.gz HZRGLFBPXLQOLR-PKOBYXMFSA-N 0 3 358.486 3.225 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@@H](C2CCOCC2)C1 ZINC000328853970 498961471 /nfs/dbraw/zinc/96/14/71/498961471.db2.gz SRWBNQHYAPJTEH-GOEBONIOSA-N 0 3 360.454 3.183 20 30 FGEDHN C[C@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)C1=CCN(C)CC1 ZINC000328998775 499010942 /nfs/dbraw/zinc/01/09/42/499010942.db2.gz HCRJTTURKYOERL-FNHZYXHNSA-N 0 3 361.461 3.057 20 30 FGEDHN CN(CCNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000329002398 499012501 /nfs/dbraw/zinc/01/25/01/499012501.db2.gz LOYMAFYCUBHVTD-KRWDZBQOSA-N 0 3 364.511 3.169 20 30 FGEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000295449087 499021747 /nfs/dbraw/zinc/02/17/47/499021747.db2.gz QBOSCPJBVSNQRE-MSOLQXFVSA-N 0 3 373.497 3.019 20 30 FGEDHN CN(c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1)C1CCN(C)CC1 ZINC000284086539 499045925 /nfs/dbraw/zinc/04/59/25/499045925.db2.gz BMEQTAYHYJVBGG-UHFFFAOYSA-N 0 3 366.440 3.480 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000366724993 499049460 /nfs/dbraw/zinc/04/94/60/499049460.db2.gz QTGHGPPKXGIEFN-DSKINZAPSA-N 0 3 371.525 3.492 20 30 FGEDHN C#CCCOc1ccc(CN[C@H]2CCCc3cnn(CCOC)c32)cc1 ZINC000363978143 499073278 /nfs/dbraw/zinc/07/32/78/499073278.db2.gz VWFUHMMJHDEMNM-FQEVSTJZSA-N 0 3 353.466 3.099 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000329229155 499078317 /nfs/dbraw/zinc/07/83/17/499078317.db2.gz JDOCWEADKWEPKX-HNNXBMFYSA-N 0 3 373.501 3.054 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)NCC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000366872959 499101797 /nfs/dbraw/zinc/10/17/97/499101797.db2.gz GZABOPGSNJTWSM-IEBWSBKVSA-N 0 3 354.498 3.375 20 30 FGEDHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)C1 ZINC000329348799 499105310 /nfs/dbraw/zinc/10/53/10/499105310.db2.gz SHYNKYDBAWHTLA-DLBZAZTESA-N 0 3 368.485 3.007 20 30 FGEDHN Cc1cc(NC(=O)N2CCN3CCC[C@@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329369453 499110200 /nfs/dbraw/zinc/11/02/00/499110200.db2.gz IHJPXMDVVCIJIL-FUHWJXTLSA-N 0 3 357.502 3.094 20 30 FGEDHN C[C@H]1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1(C)C ZINC000329449923 499123184 /nfs/dbraw/zinc/12/31/84/499123184.db2.gz CKNLRXJIJRPDFV-KRWDZBQOSA-N 0 3 373.541 3.425 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1csc(-c2ccccn2)n1 ZINC000329461755 499124733 /nfs/dbraw/zinc/12/47/33/499124733.db2.gz SNYQRHQVTNXAQA-KGLIPLIRSA-N 0 3 357.483 3.309 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1C(F)F ZINC000329464895 499125220 /nfs/dbraw/zinc/12/52/20/499125220.db2.gz VFDQROHNWOEFRA-JSGCOSHPSA-N 0 3 355.433 3.048 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2CCN(C)[C@H]2C1 ZINC000370083543 499176937 /nfs/dbraw/zinc/17/69/37/499176937.db2.gz REYLIFJUVJSIJK-NUJGCVRESA-N 0 3 372.538 3.045 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000370286982 499205980 /nfs/dbraw/zinc/20/59/80/499205980.db2.gz AUFMNWCJKVRHNI-OAHLLOKOSA-N 0 3 359.436 3.401 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCC3)C[C@H]2C)cc1 ZINC000367687427 499224848 /nfs/dbraw/zinc/22/48/48/499224848.db2.gz NGPZIWWDYCMGMY-KGLIPLIRSA-N 0 3 361.467 3.169 20 30 FGEDHN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000370728535 499248615 /nfs/dbraw/zinc/24/86/15/499248615.db2.gz BILQKVNQBXNHRS-HXUWFJFHSA-N 0 3 368.481 3.432 20 30 FGEDHN Cn1cc(CN2CCCN(c3ccc(C#N)cc3)CC2)c(-c2cccnc2)n1 ZINC000371356881 499314610 /nfs/dbraw/zinc/31/46/10/499314610.db2.gz BYBFVFGYQUGWTN-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000368897506 499344211 /nfs/dbraw/zinc/34/42/11/499344211.db2.gz RSBTXCXQDYKGJG-HNNXBMFYSA-N 0 3 367.276 3.278 20 30 FGEDHN C=CCN(C(=O)CCc1c(C)n[nH]c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000371589002 499344913 /nfs/dbraw/zinc/34/49/13/499344913.db2.gz BSFLFOJIPFSCER-FQEVSTJZSA-N 0 3 366.509 3.248 20 30 FGEDHN C=CCN(C(=O)NCc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368926962 499347348 /nfs/dbraw/zinc/34/73/48/499347348.db2.gz ZSOAZPHTUQIGAV-FQEVSTJZSA-N 0 3 350.466 3.054 20 30 FGEDHN CCO[C@H]1C[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)C12CCCCC2 ZINC000573207459 506144038 /nfs/dbraw/zinc/14/40/38/506144038.db2.gz XVJINSVGTRAQMX-ROUUACIJSA-N 0 3 353.470 3.161 20 30 FGEDHN C#CC[C@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372080541 499396811 /nfs/dbraw/zinc/39/68/11/499396811.db2.gz PZJCFJLWLKEXOI-QFBILLFUSA-N 0 3 365.481 3.172 20 30 FGEDHN CN1CC[C@H](CNC(=O)c2ccccc2OCC#N)[C@H]1c1cccs1 ZINC000369568764 499419624 /nfs/dbraw/zinc/41/96/24/499419624.db2.gz MASJGNQUGAMXLG-KDOFPFPSSA-N 0 3 355.463 3.073 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000369622924 499427802 /nfs/dbraw/zinc/42/78/02/499427802.db2.gz OWUDVSOAJQDPNX-UHFFFAOYSA-N 0 3 367.497 3.182 20 30 FGEDHN C=CCOc1cccc(CN2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000372442302 499435573 /nfs/dbraw/zinc/43/55/73/499435573.db2.gz LUXDIDNJERJXOI-HDICACEKSA-N 0 3 372.509 3.099 20 30 FGEDHN CN1CC[C@H](CNC(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000369788395 499443196 /nfs/dbraw/zinc/44/31/96/499443196.db2.gz DZGSTCDCMYKXTB-RDTXWAMCSA-N 0 3 372.469 3.251 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000373400021 499467589 /nfs/dbraw/zinc/46/75/89/499467589.db2.gz NZECOZZWICNVPS-QGZVFWFLSA-N 0 3 364.474 3.087 20 30 FGEDHN CN1CC[C@@H](CNC(=O)NCC2(CC#N)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000373717881 499484788 /nfs/dbraw/zinc/48/47/88/499484788.db2.gz FYSFCGKMGDPCHE-RDJZCZTQSA-N 0 3 360.889 3.326 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC3(CCOCC3)[C@H]2C)c1 ZINC000375238091 499498091 /nfs/dbraw/zinc/49/80/91/499498091.db2.gz BOTZOHSELJRGQL-LJQANCHMSA-N 0 3 369.509 3.441 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(C(=O)NC3CC3)CC2)ccc1OC ZINC000378336399 499502886 /nfs/dbraw/zinc/50/28/86/499502886.db2.gz VYRFOHGWKPWTLW-UHFFFAOYSA-N 0 3 358.482 3.141 20 30 FGEDHN Cc1ncc(CN2CC[C@@H](NCC#Cc3ccc(F)cc3)[C@H](C)C2)s1 ZINC000375505141 499526598 /nfs/dbraw/zinc/52/65/98/499526598.db2.gz ANSAARNSHRGXQN-FOIQADDNSA-N 0 3 357.498 3.442 20 30 FGEDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C#N)CCN1Cc1ccccc1 ZINC000379679489 499542528 /nfs/dbraw/zinc/54/25/28/499542528.db2.gz JAGKXNFUDZFNJY-WMLDXEAASA-N 0 3 351.410 3.326 20 30 FGEDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C#N)CCN1Cc1ccccc1 ZINC000379679487 499542573 /nfs/dbraw/zinc/54/25/73/499542573.db2.gz JAGKXNFUDZFNJY-PBHICJAKSA-N 0 3 351.410 3.326 20 30 FGEDHN N#Cc1cc(F)c(NCC2(O)CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000397558732 499564169 /nfs/dbraw/zinc/56/41/69/499564169.db2.gz PIRATGCDKNXQNR-UHFFFAOYSA-N 0 3 357.404 3.275 20 30 FGEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1ccc(C#N)cc1 ZINC000375975200 499572945 /nfs/dbraw/zinc/57/29/45/499572945.db2.gz LYSAKPABSDPBBW-FCGDIQPGSA-N 0 3 371.481 3.112 20 30 FGEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000376091502 499582301 /nfs/dbraw/zinc/58/23/01/499582301.db2.gz BTPJTINJVQHJGQ-GOSISDBHSA-N 0 3 351.450 3.191 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c1 ZINC000376164544 499588151 /nfs/dbraw/zinc/58/81/51/499588151.db2.gz WEIQCZJOEQECGC-FQEVSTJZSA-N 0 3 367.493 3.052 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2NCc2cccnc2OCC(F)F)O1 ZINC000376178978 499589220 /nfs/dbraw/zinc/58/92/20/499589220.db2.gz WDZVENAGZSIQFN-LVQVYYBASA-N 0 3 351.397 3.055 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ncc(C#N)cc1Cl ZINC000410547317 499667220 /nfs/dbraw/zinc/66/72/20/499667220.db2.gz OMEVRGUUKDJRKG-KSSFIOAISA-N 0 3 368.868 3.247 20 30 FGEDHN C=CCN(CCC(=O)N1CCOc2ccccc21)Cc1cccc(C#N)c1 ZINC000411199357 499710182 /nfs/dbraw/zinc/71/01/82/499710182.db2.gz ZLORIHLVXXEEQC-UHFFFAOYSA-N 0 3 361.445 3.362 20 30 FGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1Br ZINC000411641227 499772220 /nfs/dbraw/zinc/77/22/20/499772220.db2.gz LQXNOIVBAILYAJ-CQSZACIVSA-N 0 3 368.319 3.216 20 30 FGEDHN OCC1([C@H](NCC#Cc2ccc(F)cc2)c2ccccc2)CCOCC1 ZINC000412005675 499812164 /nfs/dbraw/zinc/81/21/64/499812164.db2.gz BMZUEEIOYQJBDC-OAQYLSRUSA-N 0 3 353.437 3.297 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000415017428 499855372 /nfs/dbraw/zinc/85/53/72/499855372.db2.gz FIUOMLCLUFHSGL-QGZVFWFLSA-N 0 3 352.438 3.341 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCC[C@H]1OC ZINC000570415192 506163354 /nfs/dbraw/zinc/16/33/54/506163354.db2.gz WJFDDGQUYVRNNK-CVEARBPZSA-N 0 3 350.532 3.152 20 30 FGEDHN N#Cc1cnc(NCCCCN2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000413077493 499910624 /nfs/dbraw/zinc/91/06/24/499910624.db2.gz MJCDJGPWEFMKBK-UHFFFAOYSA-N 0 3 367.472 3.102 20 30 FGEDHN C=CCC1(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)CCOCC1 ZINC000424883213 499962973 /nfs/dbraw/zinc/96/29/73/499962973.db2.gz ZSBHVVRJYHCHGZ-IBGZPJMESA-N 0 3 356.510 3.340 20 30 FGEDHN Cc1cccc([C@H](CNCc2ccc(C#N)c(F)c2)N2CCOCC2)c1 ZINC000421322364 500016712 /nfs/dbraw/zinc/01/67/12/500016712.db2.gz DMJPWEFNAMOFDZ-NRFANRHFSA-N 0 3 353.441 3.169 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC(CC)(CC)C(=O)OC(C)(C)C)CC1 ZINC000425457506 500112033 /nfs/dbraw/zinc/11/20/33/500112033.db2.gz YMUHUPKJSCYYEX-UHFFFAOYSA-N 0 3 367.534 3.084 20 30 FGEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000425510484 500128795 /nfs/dbraw/zinc/12/87/95/500128795.db2.gz KHKJEXLZJPYWKM-INIZCTEOSA-N 0 3 374.868 3.485 20 30 FGEDHN CC(C)c1ccc(OCCNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000582288947 506177906 /nfs/dbraw/zinc/17/79/06/506177906.db2.gz MSPDSLPVAPGRGM-IBGZPJMESA-N 0 3 354.450 3.090 20 30 FGEDHN COCCc1ccc(OC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425529055 500134103 /nfs/dbraw/zinc/13/41/03/500134103.db2.gz ALTODSYPTCSOJQ-DYESRHJHSA-N 0 3 368.477 3.180 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429777642 500142851 /nfs/dbraw/zinc/14/28/51/500142851.db2.gz WHANGFIGSKCPDH-MORSLUCNSA-N 0 3 367.896 3.283 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425670735 500176644 /nfs/dbraw/zinc/17/66/44/500176644.db2.gz GGRPKZNAIFWMLA-PWIZWCRZSA-N 0 3 368.525 3.451 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419374641 500358909 /nfs/dbraw/zinc/35/89/09/500358909.db2.gz QDIOPSVWRDPJQP-RBUKOAKNSA-N 0 3 353.853 3.275 20 30 FGEDHN C=CCCCS(=O)(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000427789187 500433348 /nfs/dbraw/zinc/43/33/48/500433348.db2.gz MYZBZEFDHUQSRP-UHFFFAOYSA-N 0 3 365.543 3.233 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)n(-c2ccccc2C(F)(F)F)n1 ZINC000424085073 500450083 /nfs/dbraw/zinc/45/00/83/500450083.db2.gz YXMDFYCPVKMCPD-ZDUSSCGKSA-N 0 3 365.359 3.159 20 30 FGEDHN Cc1cc(CN(C)C(=O)[C@H](N)CCCC#N)cc(C)c1OCC(F)(F)F ZINC000424089036 500450836 /nfs/dbraw/zinc/45/08/36/500450836.db2.gz IDTLBLFBLISLKS-OAHLLOKOSA-N 0 3 371.403 3.224 20 30 FGEDHN CN(C(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1)C1CCCCC1 ZINC000424099177 500452904 /nfs/dbraw/zinc/45/29/04/500452904.db2.gz ILFHYJZWHLUGFE-SFHVURJKSA-N 0 3 356.470 3.051 20 30 FGEDHN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424102871 500453380 /nfs/dbraw/zinc/45/33/80/500453380.db2.gz CFAMZACCORORJS-VQTJNVASSA-N 0 3 369.440 3.255 20 30 FGEDHN COc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)c2ccc(C)cc2)cc1 ZINC000424109152 500454686 /nfs/dbraw/zinc/45/46/86/500454686.db2.gz ZJLTXEKGBAAOTB-VQTJNVASSA-N 0 3 351.450 3.230 20 30 FGEDHN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H](N)CCCC#N ZINC000424110061 500455074 /nfs/dbraw/zinc/45/50/74/500455074.db2.gz CNQLGCMMDQIKOL-ZWKOTPCHSA-N 0 3 351.454 3.077 20 30 FGEDHN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424114535 500456078 /nfs/dbraw/zinc/45/60/78/500456078.db2.gz RJEHBWBRTSVHIQ-OAQYLSRUSA-N 0 3 365.477 3.288 20 30 FGEDHN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424123198 500457884 /nfs/dbraw/zinc/45/78/84/500457884.db2.gz KIYZKQKPSTUMAJ-WMLDXEAASA-N 0 3 363.889 3.151 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000424186974 500465644 /nfs/dbraw/zinc/46/56/44/500465644.db2.gz IJMQNISDYPEKEW-IAGOWNOFSA-N 0 3 367.453 3.201 20 30 FGEDHN C[C@@H](NCCNC(=O)CCCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000424331897 500487647 /nfs/dbraw/zinc/48/76/47/500487647.db2.gz UJDICXYNJLDESL-MRXNPFEDSA-N 0 3 353.441 3.487 20 30 FGEDHN N#Cc1csc(CNC[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428535166 500522340 /nfs/dbraw/zinc/52/23/40/500522340.db2.gz KYLSQOWPEBOFMJ-CQSZACIVSA-N 0 3 365.296 3.323 20 30 FGEDHN N#CC[C@@H](CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccccc1 ZINC000428548219 500525291 /nfs/dbraw/zinc/52/52/91/500525291.db2.gz OLIDFTVCQUMSSL-PZJWPPBQSA-N 0 3 363.461 3.279 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000432605075 500537891 /nfs/dbraw/zinc/53/78/91/500537891.db2.gz WJYQVUBAUIKEKM-OAQYLSRUSA-N 0 3 362.477 3.191 20 30 FGEDHN CO[C@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1 ZINC000428784190 500556880 /nfs/dbraw/zinc/55/68/80/500556880.db2.gz OKSFLDJRVOSCFE-QZTJIDSGSA-N 0 3 357.841 3.447 20 30 FGEDHN C=CCC1(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CCOCC1 ZINC000424830791 500569575 /nfs/dbraw/zinc/56/95/75/500569575.db2.gz HVLVPEFJBPTQFO-QFIPXVFZSA-N 0 3 368.521 3.484 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C ZINC000437518133 500653605 /nfs/dbraw/zinc/65/36/05/500653605.db2.gz LGDFRAUUPURWIN-CZUORRHYSA-N 0 3 369.494 3.210 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000437638595 500673245 /nfs/dbraw/zinc/67/32/45/500673245.db2.gz YOXFYLHTJVKJHR-GHTZIAJQSA-N 0 3 371.525 3.240 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000437657162 500677065 /nfs/dbraw/zinc/67/70/65/500677065.db2.gz UBNNQIMHDQKRFC-GIVPXCGWSA-N 0 3 371.525 3.104 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000433372229 500683463 /nfs/dbraw/zinc/68/34/63/500683463.db2.gz OEPSYZOSIUHGHO-IRXDYDNUSA-N 0 3 369.415 3.432 20 30 FGEDHN COCCN([C@H]1CCC[C@@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877566 500683682 /nfs/dbraw/zinc/68/36/82/500683682.db2.gz FIMQJJRCXJDWHH-FFZOFVMBSA-N 0 3 355.482 3.191 20 30 FGEDHN C=CCC[C@@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1ccccc1 ZINC000433404383 500687755 /nfs/dbraw/zinc/68/77/55/500687755.db2.gz WTFXVJQMDSWJOM-UYAOXDASSA-N 0 3 359.514 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2cccc(OCC)c2)CC1 ZINC000437736297 500687879 /nfs/dbraw/zinc/68/78/79/500687879.db2.gz LYTLPUDBKSDISY-VQTJNVASSA-N 0 3 357.498 3.281 20 30 FGEDHN CN(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1cccc(F)c1 ZINC000443413326 500721774 /nfs/dbraw/zinc/72/17/74/500721774.db2.gz ZDSXCHZXMWGCSF-OAHLLOKOSA-N 0 3 352.335 3.248 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000448768603 500828598 /nfs/dbraw/zinc/82/85/98/500828598.db2.gz QQKFYNNZGMWKGK-HXUWFJFHSA-N 0 3 350.466 3.398 20 30 FGEDHN CCCc1c(NC2CCN(CCOC)CC2)cnn1-c1cccc(C#N)c1 ZINC000439060399 500852540 /nfs/dbraw/zinc/85/25/40/500852540.db2.gz VATXGZMOTHDNQH-UHFFFAOYSA-N 0 3 367.497 3.219 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3cccc(OC)c3)cn2)CC1 ZINC000448921998 500870452 /nfs/dbraw/zinc/87/04/52/500870452.db2.gz PHESJTHSTURRSU-UHFFFAOYSA-N 0 3 367.449 3.263 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)C(C)C#N)C(F)(F)F ZINC000434643720 500871682 /nfs/dbraw/zinc/87/16/82/500871682.db2.gz CXPZSSWZGXVGAY-BMIGLBTASA-N 0 3 350.344 3.368 20 30 FGEDHN N#CC(C(=O)c1cnnn1-c1cccc(F)c1)c1nccc2ccccc21 ZINC000434645986 500872425 /nfs/dbraw/zinc/87/24/25/500872425.db2.gz OBVTZFVRFSZRJC-QGZVFWFLSA-N 0 3 357.348 3.445 20 30 FGEDHN CC(C)C[C@@H](CNC(=O)c1cccc(C#N)c1Br)N(C)C ZINC000448973162 500884038 /nfs/dbraw/zinc/88/40/38/500884038.db2.gz YPLQPYVFWOHYBU-ZDUSSCGKSA-N 0 3 352.276 3.027 20 30 FGEDHN Cc1ccc([C@]2(C)CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000434749977 500888880 /nfs/dbraw/zinc/88/88/80/500888880.db2.gz ZUVZDEMQIKAVAR-RBBKRZOGSA-N 0 3 350.462 3.270 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1ccccn1 ZINC000602580855 506223307 /nfs/dbraw/zinc/22/33/07/506223307.db2.gz IIQYAGBNXYUYBY-UYAOXDASSA-N 0 3 350.466 3.283 20 30 FGEDHN C=C(C)COc1cc(CN(C)CCN2CCOC(C)(C)C2)ccc1OC ZINC000435055953 500928081 /nfs/dbraw/zinc/92/80/81/500928081.db2.gz DPBOFPCPIDIHLP-UHFFFAOYSA-N 0 3 362.514 3.193 20 30 FGEDHN C=CC[C@H]1N(C(=O)NC2CCN(CCCOC)CC2)CCCC1(C)C ZINC000445027447 500934244 /nfs/dbraw/zinc/93/42/44/500934244.db2.gz GGHMNWHBZGDNTK-GOSISDBHSA-N 0 3 351.535 3.264 20 30 FGEDHN COc1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000440621980 501030221 /nfs/dbraw/zinc/03/02/21/501030221.db2.gz DDSFTIGXXGLYKX-XLIONFOSSA-N 0 3 369.852 3.282 20 30 FGEDHN COc1cc(CN[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000440631755 501031674 /nfs/dbraw/zinc/03/16/74/501031674.db2.gz AWLFRWBPIYGGAR-ICSRJNTNSA-N 0 3 357.404 3.380 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc(C(F)(F)F)n[nH]3)C2)c(F)c1 ZINC000440821267 501052944 /nfs/dbraw/zinc/05/29/44/501052944.db2.gz AJAVBKVQDXLADD-GFCCVEGCSA-N 0 3 367.350 3.198 20 30 FGEDHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449676639 501058899 /nfs/dbraw/zinc/05/88/99/501058899.db2.gz IRIDVIULDFUXLV-JTSKRJEESA-N 0 3 366.461 3.109 20 30 FGEDHN C=CCC[C@H](CO)NCc1cc(Br)c(OC)c(OCC)c1 ZINC000449699506 501064922 /nfs/dbraw/zinc/06/49/22/501064922.db2.gz PYVDWXDOTRSMSI-CYBMUJFWSA-N 0 3 358.276 3.273 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441044958 501078973 /nfs/dbraw/zinc/07/89/73/501078973.db2.gz XYYODHRZVJWPMU-MGPUTAFESA-N 0 3 352.434 3.270 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-c2cnn(C)c2)o1)C(C)C ZINC000449803225 501091407 /nfs/dbraw/zinc/09/14/07/501091407.db2.gz NISNHYLNYJXERO-QGZVFWFLSA-N 0 3 356.470 3.109 20 30 FGEDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000450052459 501165428 /nfs/dbraw/zinc/16/54/28/501165428.db2.gz LNEISICSVFIFOI-KGLIPLIRSA-N 0 3 362.271 3.020 20 30 FGEDHN Cc1cccc2c1CCC[C@H]2NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000596069534 506239822 /nfs/dbraw/zinc/23/98/22/506239822.db2.gz LNUNASTVQFJJPI-XMSQKQJNSA-N 0 3 350.462 3.468 20 30 FGEDHN CS(=O)(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1C(F)(F)F ZINC000447088998 501203778 /nfs/dbraw/zinc/20/37/78/501203778.db2.gz UMWNCIAIDLOTLE-AAEUAGOBSA-N 0 3 360.401 3.281 20 30 FGEDHN Cc1ccccc1CN1CCC(Nc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450261049 501221310 /nfs/dbraw/zinc/22/13/10/501221310.db2.gz MBRGTHSNZNRNBW-UHFFFAOYSA-N 0 3 351.410 3.246 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000455397275 501291441 /nfs/dbraw/zinc/29/14/41/501291441.db2.gz CHMARLKPUFPKHK-URVUXULASA-N 0 3 369.509 3.028 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000451471295 501300149 /nfs/dbraw/zinc/30/01/49/501300149.db2.gz PFHZYWSAQMFGBK-OHHBCXFOSA-N 0 3 373.522 3.280 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(C)[C@H]1c1nccn1C)C(C)C ZINC000457754690 501301830 /nfs/dbraw/zinc/30/18/30/501301830.db2.gz RQOJTGJDLZRGJL-QZTJIDSGSA-N 0 3 373.545 3.211 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2C[C@](C)(OC)C2(C)C)cc1 ZINC000451488158 501304726 /nfs/dbraw/zinc/30/47/26/501304726.db2.gz MAAQFYBCPXPBPW-NQIIRXRSSA-N 0 3 373.497 3.125 20 30 FGEDHN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(C)C)CC1 ZINC000453423400 501328615 /nfs/dbraw/zinc/32/86/15/501328615.db2.gz DPGUWIATORVTPH-UHFFFAOYSA-N 0 3 357.477 3.115 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453429851 501330417 /nfs/dbraw/zinc/33/04/17/501330417.db2.gz CJUGKAZKGXILAZ-LJQANCHMSA-N 0 3 369.513 3.100 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccnc(-c2ccc(Br)cc2)n1 ZINC000451611014 501336522 /nfs/dbraw/zinc/33/65/22/501336522.db2.gz VUGMXIZHBXKRGK-CVEARBPZSA-N 0 3 360.255 3.339 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453455492 501336579 /nfs/dbraw/zinc/33/65/79/501336579.db2.gz SGUZGZGZYFIOMV-KRWDZBQOSA-N 0 3 354.502 3.145 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453463454 501339345 /nfs/dbraw/zinc/33/93/45/501339345.db2.gz JNGYLCZJDAWWMF-KRWDZBQOSA-N 0 3 357.502 3.151 20 30 FGEDHN C=C(C)Cn1c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453465769 501339953 /nfs/dbraw/zinc/33/99/53/501339953.db2.gz MYXLQWLALZKDKL-UGNRZPKXSA-N 0 3 373.545 3.046 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccco1 ZINC000451675608 501348859 /nfs/dbraw/zinc/34/88/59/501348859.db2.gz PYIANAIYIHHVQZ-KDOFPFPSSA-N 0 3 354.454 3.076 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2COCC2(C)C)c1C#N ZINC000451805072 501375410 /nfs/dbraw/zinc/37/54/10/501375410.db2.gz ATSDQBZLWCADHC-SFHVURJKSA-N 0 3 372.513 3.435 20 30 FGEDHN C[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H](c1ccccc1)N(C)C ZINC000455769345 501382527 /nfs/dbraw/zinc/38/25/27/501382527.db2.gz XBSUHZBGSGGGQQ-PXAZEXFGSA-N 0 3 357.845 3.420 20 30 FGEDHN C[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@H](c1ccccc1)N(C)C ZINC000455769347 501382793 /nfs/dbraw/zinc/38/27/93/501382793.db2.gz XBSUHZBGSGGGQQ-SJKOYZFVSA-N 0 3 357.845 3.420 20 30 FGEDHN C[C@H](CC#N)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455944091 501422648 /nfs/dbraw/zinc/42/26/48/501422648.db2.gz MJJIWIMVXHMHQJ-GFCCVEGCSA-N 0 3 350.850 3.237 20 30 FGEDHN C[C@H](C#N)CN(C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455950703 501423981 /nfs/dbraw/zinc/42/39/81/501423981.db2.gz YLCHONXUNLTZKF-CYBMUJFWSA-N 0 3 364.877 3.436 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000456339803 501503238 /nfs/dbraw/zinc/50/32/38/501503238.db2.gz PBZWTVGXTSFWBO-MRXNPFEDSA-N 0 3 351.425 3.291 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000456339797 501503365 /nfs/dbraw/zinc/50/33/65/501503365.db2.gz PBZWTVGXTSFWBO-INIZCTEOSA-N 0 3 351.425 3.291 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)Cc2c(F)cccc2C#N)CCC1 ZINC000452713221 501550521 /nfs/dbraw/zinc/55/05/21/501550521.db2.gz BHCRJFNZSYLMHV-UHFFFAOYSA-N 0 3 365.452 3.411 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458902121 501555838 /nfs/dbraw/zinc/55/58/38/501555838.db2.gz SLXDORFTMBUOIX-KURKYZTESA-N 0 3 363.527 3.044 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000452829780 501569772 /nfs/dbraw/zinc/56/97/72/501569772.db2.gz YXWBIOWIGTVRRE-LJQANCHMSA-N 0 3 361.445 3.049 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000454539112 501572641 /nfs/dbraw/zinc/57/26/41/501572641.db2.gz IZLIFSYVOLVLJS-HNNXBMFYSA-N 0 3 371.460 3.022 20 30 FGEDHN CC1(C)CN(C(=O)CSCC#N)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000452855980 501575205 /nfs/dbraw/zinc/57/52/05/501575205.db2.gz XXOXVDLNEFHQMK-HXUWFJFHSA-N 0 3 371.550 3.392 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000459034728 501580695 /nfs/dbraw/zinc/58/06/95/501580695.db2.gz SKAWDFXTBKCXIT-FFGOWVMKSA-N 0 3 357.498 3.024 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000459052747 501583768 /nfs/dbraw/zinc/58/37/68/501583768.db2.gz ZHLLKAIDSODQJG-WLRLJWMZSA-N 0 3 371.525 3.415 20 30 FGEDHN N#CCc1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000456734335 501588978 /nfs/dbraw/zinc/58/89/78/501588978.db2.gz PEEZNEOLQYSQQV-UHFFFAOYSA-N 0 3 363.461 3.209 20 30 FGEDHN CC(C)(CC#N)CNC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000459242510 501618246 /nfs/dbraw/zinc/61/82/46/501618246.db2.gz RUPMMNMTCGYBNO-MOPGFXCFSA-N 0 3 354.498 3.090 20 30 FGEDHN CC#CCNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000454745163 501620404 /nfs/dbraw/zinc/62/04/04/501620404.db2.gz WNEVFCMYPHBZEK-FQEVSTJZSA-N 0 3 353.510 3.342 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N ZINC000459263008 501621164 /nfs/dbraw/zinc/62/11/64/501621164.db2.gz WLZBOQABAKYLGC-LJQANCHMSA-N 0 3 356.514 3.480 20 30 FGEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000457243480 501670997 /nfs/dbraw/zinc/67/09/97/501670997.db2.gz UTEMADUBACUBCH-DYESRHJHSA-N 0 3 356.466 3.339 20 30 FGEDHN COC(=O)c1cccc2c1CCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000457247170 501671456 /nfs/dbraw/zinc/67/14/56/501671456.db2.gz SILDLSABSYYAGW-QGZVFWFLSA-N 0 3 362.429 3.130 20 30 FGEDHN Cc1nsc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1C#N ZINC000459558342 501676341 /nfs/dbraw/zinc/67/63/41/501676341.db2.gz FZTLSHHZBCROEH-CQSZACIVSA-N 0 3 369.494 3.309 20 30 FGEDHN CCN(C(=O)Nc1snc(C)c1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459558844 501676680 /nfs/dbraw/zinc/67/66/80/501676680.db2.gz JVNUFXGFACWKTB-MRXNPFEDSA-N 0 3 369.494 3.452 20 30 FGEDHN COC(=O)c1csc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000602708944 506268406 /nfs/dbraw/zinc/26/84/06/506268406.db2.gz ZQQHUUCQCHCSTO-UHFFFAOYSA-N 0 3 369.490 3.161 20 30 FGEDHN CC(C)(CC#N)CNCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000459735461 501706117 /nfs/dbraw/zinc/70/61/17/501706117.db2.gz SXMFCLPZGQIHGQ-UHFFFAOYSA-N 0 3 365.905 3.080 20 30 FGEDHN CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN(C)C1 ZINC000592830141 506269173 /nfs/dbraw/zinc/26/91/73/506269173.db2.gz CHGKBEJUFSUILD-SFHVURJKSA-N 0 3 364.449 3.302 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474224049 501751595 /nfs/dbraw/zinc/75/15/95/501751595.db2.gz XUPIWGLYIWRVGU-FQEVSTJZSA-N 0 3 365.477 3.152 20 30 FGEDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000470691339 501770138 /nfs/dbraw/zinc/77/01/38/501770138.db2.gz WEARUUYJFZGCDD-KRWDZBQOSA-N 0 3 367.449 3.333 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000470758942 501794415 /nfs/dbraw/zinc/79/44/15/501794415.db2.gz ZNPNJRKRKSHNAR-INIZCTEOSA-N 0 3 353.809 3.089 20 30 FGEDHN C=CCOCCCN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000470766396 501794983 /nfs/dbraw/zinc/79/49/83/501794983.db2.gz PMGBUAKZXZWLLQ-GOSISDBHSA-N 0 3 368.481 3.434 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460373955 501808222 /nfs/dbraw/zinc/80/82/22/501808222.db2.gz GLNOXQGRZRZVKB-SJORKVTESA-N 0 3 369.513 3.449 20 30 FGEDHN CC(=O)Nc1cccc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470804723 501808977 /nfs/dbraw/zinc/80/89/77/501808977.db2.gz ULGCDDZSHPMTAY-KUHUBIRLSA-N 0 3 360.417 3.076 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460379809 501810165 /nfs/dbraw/zinc/81/01/65/501810165.db2.gz JXHVJWSAHOSVAJ-KRWDZBQOSA-N 0 3 367.497 3.203 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(F)F)cc2)CC1 ZINC000481690946 501850592 /nfs/dbraw/zinc/85/05/92/501850592.db2.gz HOLWTEDQJICBKO-UHFFFAOYSA-N 0 3 353.413 3.493 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2c(F)cccc2OC(F)F)cc1 ZINC000470995877 501886362 /nfs/dbraw/zinc/88/63/62/501886362.db2.gz QALLJLOADVTVDA-CQSZACIVSA-N 0 3 373.334 3.297 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3ccc(F)c(F)c3C2)cc1 ZINC000471040786 501899920 /nfs/dbraw/zinc/89/99/20/501899920.db2.gz LNEWORNZHVZVTQ-INIZCTEOSA-N 0 3 351.356 3.104 20 30 FGEDHN COc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000471054028 501903877 /nfs/dbraw/zinc/90/38/77/501903877.db2.gz XWOCUVKQWBFECP-KRWDZBQOSA-N 0 3 367.836 3.261 20 30 FGEDHN CN1CC[C@H](NC(=O)N2CCc3c(CC#N)cccc3C2)[C@@H]1c1ccccc1 ZINC000599021012 506282503 /nfs/dbraw/zinc/28/25/03/506282503.db2.gz RQHWDVMIAZYPAQ-VXKWHMMOSA-N 0 3 374.488 3.266 20 30 FGEDHN CC[C@]1(C)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000468113355 501961268 /nfs/dbraw/zinc/96/12/68/501961268.db2.gz LUZJPQDTQGLNHO-GOSISDBHSA-N 0 3 352.400 3.295 20 30 FGEDHN CC1CCC(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000474905513 501987007 /nfs/dbraw/zinc/98/70/07/501987007.db2.gz ICKUEHJSLGVJAM-UHFFFAOYSA-N 0 3 357.498 3.044 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(C#N)cc1)N(C)C ZINC000478490057 501998794 /nfs/dbraw/zinc/99/87/94/501998794.db2.gz UEUSYHZIGKGXJO-JXFKEZNVSA-N 0 3 350.466 3.357 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1OC ZINC000482535796 502103976 /nfs/dbraw/zinc/10/39/76/502103976.db2.gz WOAFYJVVXUHZMN-BHDDXSALSA-N 0 3 366.461 3.419 20 30 FGEDHN Cc1nc(CC2CC2)oc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000475506761 502195745 /nfs/dbraw/zinc/19/57/45/502195745.db2.gz YOKXLYJCQPLCMH-UHFFFAOYSA-N 0 3 366.465 3.011 20 30 FGEDHN CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000465401108 502252103 /nfs/dbraw/zinc/25/21/03/502252103.db2.gz DGOHQCILTDYFBY-PRIMNGNOSA-N 0 3 361.511 3.229 20 30 FGEDHN CO[C@]1(C)C[C@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000465411190 502253720 /nfs/dbraw/zinc/25/37/20/502253720.db2.gz VSLIUEUTHWABLT-CFLQYTFWSA-N 0 3 361.461 3.254 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]2C#N)CCN1Cc1ccccc1 ZINC000461970573 502258498 /nfs/dbraw/zinc/25/84/98/502258498.db2.gz VYBKNMMANQUBOK-GSEOLPGOSA-N 0 3 354.498 3.373 20 30 FGEDHN CN(C)[C@@]1(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CCSC1 ZINC000479456167 502265585 /nfs/dbraw/zinc/26/55/85/502265585.db2.gz PJJJKWVYYSZOAP-QGZVFWFLSA-N 0 3 364.877 3.170 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nc2cc(C)ccc2[nH]1)C(C)C ZINC000465536220 502295596 /nfs/dbraw/zinc/29/55/96/502295596.db2.gz AJLKGGCEJZVIDS-LJQANCHMSA-N 0 3 369.513 3.369 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000465536220 502295602 /nfs/dbraw/zinc/29/56/02/502295602.db2.gz AJLKGGCEJZVIDS-LJQANCHMSA-N 0 3 369.513 3.369 20 30 FGEDHN N#CC(C(=O)c1ccccc1SCC(N)=O)c1nccc2ccccc21 ZINC000483220909 502317591 /nfs/dbraw/zinc/31/75/91/502317591.db2.gz YBWSVSKTPPVBIY-MRXNPFEDSA-N 0 3 361.426 3.302 20 30 FGEDHN COc1cccc(CN(CCN(C)C)c2nc3ncccc3cc2C#N)c1 ZINC000596207847 506311332 /nfs/dbraw/zinc/31/13/32/506311332.db2.gz ONLAENWBOBIRLQ-UHFFFAOYSA-N 0 3 361.449 3.078 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000465868578 502407861 /nfs/dbraw/zinc/40/78/61/502407861.db2.gz WDHUIUYQQWRASQ-SFHVURJKSA-N 0 3 365.905 3.367 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469434031 502415869 /nfs/dbraw/zinc/41/58/69/502415869.db2.gz LIELPFYMNFWIHL-QGZVFWFLSA-N 0 3 352.482 3.359 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CCN1C ZINC000469471951 502429134 /nfs/dbraw/zinc/42/91/34/502429134.db2.gz FSNWULVQFXKOQF-SJORKVTESA-N 0 3 352.482 3.500 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000469508221 502445973 /nfs/dbraw/zinc/44/59/73/502445973.db2.gz ILRXZHXGXCEYOH-ICSRJNTNSA-N 0 3 352.409 3.498 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000469508223 502446045 /nfs/dbraw/zinc/44/60/45/502446045.db2.gz ILRXZHXGXCEYOH-UYAOXDASSA-N 0 3 352.409 3.498 20 30 FGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCN(C)C1CC1 ZINC000473109538 502520087 /nfs/dbraw/zinc/52/00/87/502520087.db2.gz AJLAFVRHNFZMCD-AWEZNQCLSA-N 0 3 374.554 3.242 20 30 FGEDHN COC(=O)c1csc(-c2cccc(CNCc3cc(C#N)n(C)c3)c2)n1 ZINC000480493153 502581507 /nfs/dbraw/zinc/58/15/07/502581507.db2.gz CNDKVXUDNHAMHD-UHFFFAOYSA-N 0 3 366.446 3.097 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCn3c(cc4ccccc43)C2)cc1 ZINC000462857517 502602487 /nfs/dbraw/zinc/60/24/87/502602487.db2.gz XPOMDYSEBSARQU-IBGZPJMESA-N 0 3 354.413 3.238 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000480998243 502724193 /nfs/dbraw/zinc/72/41/93/502724193.db2.gz LHOMPKBOTDHNKD-XWIAVFTESA-N 0 3 369.446 3.050 20 30 FGEDHN COc1cnccc1N1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000481036092 502736737 /nfs/dbraw/zinc/73/67/37/502736737.db2.gz JWANJRDVSFQCSC-UHFFFAOYSA-N 0 3 373.460 3.454 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000463298080 502747652 /nfs/dbraw/zinc/74/76/52/502747652.db2.gz UNASCDOEKXTFNS-DGCLKSJQSA-N 0 3 351.244 3.392 20 30 FGEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000481146699 502765057 /nfs/dbraw/zinc/76/50/57/502765057.db2.gz XQECWPYPYOQYEU-ZACQAIPSSA-N 0 3 357.498 3.198 20 30 FGEDHN CCN1[C@H](C)CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1C ZINC000602874861 506333103 /nfs/dbraw/zinc/33/31/03/506333103.db2.gz UUNRVWMPXDCLPQ-YESZJQIVSA-N 0 3 374.554 3.291 20 30 FGEDHN C=CCCc1ccccc1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000505016673 502840072 /nfs/dbraw/zinc/84/00/72/502840072.db2.gz KQTRSIIYJIEOOZ-UHFFFAOYSA-N 0 3 368.481 3.462 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC(C)(C#N)CC2)CCCN1Cc1ccccc1 ZINC000489051226 502868841 /nfs/dbraw/zinc/86/88/41/502868841.db2.gz JCBKARWIGPZGJG-OAQYLSRUSA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(C)C ZINC000495999042 502869252 /nfs/dbraw/zinc/86/92/52/502869252.db2.gz GUXLDSVCEIATOY-PKOBYXMFSA-N 0 3 362.901 3.458 20 30 FGEDHN CC[C@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCc2ccccc2C1 ZINC000505349401 502892890 /nfs/dbraw/zinc/89/28/90/502892890.db2.gz KRHUGVVRXRCKAS-LJQANCHMSA-N 0 3 365.452 3.193 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000509445249 502905240 /nfs/dbraw/zinc/90/52/40/502905240.db2.gz ZJLFUIHWBHDCDT-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN CN(CCN1CCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000489455610 502962566 /nfs/dbraw/zinc/96/25/66/502962566.db2.gz GVBJRBUZWIKSKK-UHFFFAOYSA-N 0 3 369.494 3.165 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000505837816 502997038 /nfs/dbraw/zinc/99/70/38/502997038.db2.gz JAABLYMWVRESON-UHFFFAOYSA-N 0 3 365.477 3.122 20 30 FGEDHN CC[C@@H](CNC(=O)NCC#Cc1ccccc1)N1CCc2ccccc2C1 ZINC000501386754 502998455 /nfs/dbraw/zinc/99/84/55/502998455.db2.gz JDTYQUVWWRTXKY-QFIPXVFZSA-N 0 3 361.489 3.174 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3c(OCCC)n2)CC1 ZINC000513720223 503009039 /nfs/dbraw/zinc/00/90/39/503009039.db2.gz ILXQYXLHCZWSPH-UHFFFAOYSA-N 0 3 353.466 3.404 20 30 FGEDHN C=CCCCS(=O)(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000489699522 503014034 /nfs/dbraw/zinc/01/40/34/503014034.db2.gz LUFHNJGGDINDGC-UXHICEINSA-N 0 3 362.539 3.269 20 30 FGEDHN C[C@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCC[C@@H](C)C1 ZINC000501489255 503018978 /nfs/dbraw/zinc/01/89/78/503018978.db2.gz FUSAKCWDTHLUBD-IAGOWNOFSA-N 0 3 374.554 3.211 20 30 FGEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccc(C#N)c2C)C1 ZINC000513824376 503031553 /nfs/dbraw/zinc/03/15/53/503031553.db2.gz KCAGUTVMJUNSMM-INIZCTEOSA-N 0 3 368.506 3.226 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000489969010 503078063 /nfs/dbraw/zinc/07/80/63/503078063.db2.gz CHVVUIXCVKBYBT-PMACEKPBSA-N 0 3 357.498 3.074 20 30 FGEDHN C=CCN(CC(F)(F)F)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000510451314 503117699 /nfs/dbraw/zinc/11/76/99/503117699.db2.gz JVPIECSPYKLSAC-UHFFFAOYSA-N 0 3 355.404 3.019 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510544805 503139878 /nfs/dbraw/zinc/13/98/78/503139878.db2.gz JJNCKUIQKXABIJ-UZLBHIALSA-N 0 3 353.466 3.376 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@H](C)N2CCCCCC2)cc(OC)c1OC ZINC000510809096 503197460 /nfs/dbraw/zinc/19/74/60/503197460.db2.gz DGASBYGXESOMAO-INIZCTEOSA-N 0 3 360.498 3.313 20 30 FGEDHN C[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000510819554 503198687 /nfs/dbraw/zinc/19/86/87/503198687.db2.gz DKTAGLCAVYGRLZ-HNNXBMFYSA-N 0 3 352.400 3.438 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510874769 503208445 /nfs/dbraw/zinc/20/84/45/503208445.db2.gz POSXQIVBTHMIPW-UKRRQHHQSA-N 0 3 353.388 3.400 20 30 FGEDHN C[C@@H]1CCCCN1CCNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000507116799 503233837 /nfs/dbraw/zinc/23/38/37/503233837.db2.gz SBGGGKLUZQLLNA-CYBMUJFWSA-N 0 3 360.408 3.416 20 30 FGEDHN C=CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000511014262 503235888 /nfs/dbraw/zinc/23/58/88/503235888.db2.gz RZASLOAFQZPJHF-HNNXBMFYSA-N 0 3 360.882 3.092 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000515328288 503315455 /nfs/dbraw/zinc/31/54/55/503315455.db2.gz QVOSUGAZFLAJRE-KDOFPFPSSA-N 0 3 352.413 3.482 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000515475100 503346813 /nfs/dbraw/zinc/34/68/13/503346813.db2.gz HJXVAWWUNFWYGV-GOSISDBHSA-N 0 3 356.429 3.487 20 30 FGEDHN Cc1cc(C#N)ccc1S(=O)(=O)N(C)C(C)(C)CN1CCCCCC1 ZINC000492105829 503349937 /nfs/dbraw/zinc/34/99/37/503349937.db2.gz NBJHXIWYGWWYJV-UHFFFAOYSA-N 0 3 363.527 3.142 20 30 FGEDHN CNC(=O)[C@@H](CN[C@H](C)c1cccc(C#N)c1)Cc1ccc(F)cc1C ZINC000515647802 503378992 /nfs/dbraw/zinc/37/89/92/503378992.db2.gz CRJGBMGGSMTKMX-DNVCBOLYSA-N 0 3 353.441 3.261 20 30 FGEDHN CN(CCN1CCN(Cc2ccccc2)CC1)Cc1ccc(CC#N)cc1 ZINC000511830441 503396556 /nfs/dbraw/zinc/39/65/56/503396556.db2.gz QSDAIDATIOMXGE-UHFFFAOYSA-N 0 3 362.521 3.002 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)OCCO2)C(C)C ZINC000503407413 503403256 /nfs/dbraw/zinc/40/32/56/503403256.db2.gz DKJQLRUYGKNXBD-QGZVFWFLSA-N 0 3 359.470 3.278 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(F)cc2nccnc21)C(C)C ZINC000493096976 503406263 /nfs/dbraw/zinc/40/62/63/503406263.db2.gz MGSIWZULUYQBOO-SFHVURJKSA-N 0 3 356.445 3.197 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CCC[C@H]2OC(F)F)c1C ZINC000503524175 503429256 /nfs/dbraw/zinc/42/92/56/503429256.db2.gz VUCXQCKJEPAKQM-NVXWUHKLSA-N 0 3 365.424 3.300 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503526493 503429898 /nfs/dbraw/zinc/42/98/98/503429898.db2.gz PJSUTFGPVQEYIL-IAGOWNOFSA-N 0 3 355.463 3.286 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2CCC[C@@]2(C)CO)ccc1Cl ZINC000493553474 503433115 /nfs/dbraw/zinc/43/31/15/503433115.db2.gz VTCDSKYEVKFMMZ-HKUYNNGSSA-N 0 3 363.889 3.036 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)C1 ZINC000512103668 503458318 /nfs/dbraw/zinc/45/83/18/503458318.db2.gz FEINMYITIWMQIZ-UTKZUKDTSA-N 0 3 365.452 3.312 20 30 FGEDHN N#Cc1ccc(CNCc2ccc(OCCO)cc2)c(C(F)(F)F)c1 ZINC000516353268 503499821 /nfs/dbraw/zinc/49/98/21/503499821.db2.gz PVRZQNRPSRCKKL-UHFFFAOYSA-N 0 3 350.340 3.238 20 30 FGEDHN CN(C)C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000516803198 503590249 /nfs/dbraw/zinc/59/02/49/503590249.db2.gz LGALLLJJQIGPHL-LJQANCHMSA-N 0 3 351.425 3.414 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1OC ZINC000512884579 503650272 /nfs/dbraw/zinc/65/02/72/503650272.db2.gz FVOHRJNDEZEIGA-GOSISDBHSA-N 0 3 373.497 3.030 20 30 FGEDHN C[C@H](CNC[C@H](O)COc1ccc(CC#N)cc1)Oc1ccc(Cl)cc1 ZINC000517127923 503674981 /nfs/dbraw/zinc/67/49/81/503674981.db2.gz RNQHKHYANMPGPE-QAPCUYQASA-N 0 3 374.868 3.203 20 30 FGEDHN CCN(CC(=O)NC1(C#N)CCCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000517530441 503764846 /nfs/dbraw/zinc/76/48/46/503764846.db2.gz QHXQLNWMLQPHOJ-QGZVFWFLSA-N 0 3 357.498 3.291 20 30 FGEDHN Cc1cc(C)c(C(=O)NC2CCN(CCOc3cccc(C#N)c3)CC2)o1 ZINC000527575706 503839947 /nfs/dbraw/zinc/83/99/47/503839947.db2.gz HMTXBUSKIOAGOV-UHFFFAOYSA-N 0 3 367.449 3.041 20 30 FGEDHN CO[C@@H](C)c1nc(CN2CCCN(CCC(C)(C)C#N)CC2)cs1 ZINC000540688261 503856623 /nfs/dbraw/zinc/85/66/23/503856623.db2.gz VFGWFEWAJXSTJJ-HNNXBMFYSA-N 0 3 350.532 3.298 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(F)ccc1F)C(C)C ZINC000517916348 503866686 /nfs/dbraw/zinc/86/66/86/503866686.db2.gz KEEZSBVVVYUUIA-SFHVURJKSA-N 0 3 351.441 3.463 20 30 FGEDHN Cc1nn(-c2ccc(C(=O)C(C#N)c3ccncn3)cc2)c(C)c1Cl ZINC000546859323 503906150 /nfs/dbraw/zinc/90/61/50/503906150.db2.gz MAKOBSIEWIUIOC-HNNXBMFYSA-N 0 3 351.797 3.423 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C2CCOCC2)C1 ZINC000533670979 503916950 /nfs/dbraw/zinc/91/69/50/503916950.db2.gz TXEPBHCWNPNYRI-JTEYQQGYSA-N 0 3 361.530 3.054 20 30 FGEDHN N#Cc1ccc(C2(NCc3cc(-c4cccnc4)n[nH]3)CCOCC2)cc1 ZINC000527808421 503953990 /nfs/dbraw/zinc/95/39/90/503953990.db2.gz HAKSNOHUJHCZRQ-UHFFFAOYSA-N 0 3 359.433 3.139 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000530676126 504050351 /nfs/dbraw/zinc/05/03/51/504050351.db2.gz YLSRGDFZRPGHQG-PXNSSMCTSA-N 0 3 353.491 3.362 20 30 FGEDHN N#Cc1ccc(NCC2(N3CCCC3)CCOCC2)c(Br)c1 ZINC000534144207 504054186 /nfs/dbraw/zinc/05/41/86/504054186.db2.gz LOQQOVDKEYXHEN-UHFFFAOYSA-N 0 3 364.287 3.378 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000547416559 504097072 /nfs/dbraw/zinc/09/70/72/504097072.db2.gz LQHMPFOTRWLGLD-UHFFFAOYSA-N 0 3 364.449 3.353 20 30 FGEDHN COc1cccc(C[C@H]2CCCN2C[C@H](O)COc2ccccc2C#N)c1 ZINC000528351017 504182049 /nfs/dbraw/zinc/18/20/49/504182049.db2.gz GOJMMQSXUDPSJW-UXHICEINSA-N 0 3 366.461 3.014 20 30 FGEDHN Cc1cc([C@@H](NC[C@@H](O)COc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000538322660 504206105 /nfs/dbraw/zinc/20/61/05/504206105.db2.gz DXUZJKQWONHNME-NQIIRXRSSA-N 0 3 354.425 3.486 20 30 FGEDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528488073 504243675 /nfs/dbraw/zinc/24/36/75/504243675.db2.gz NIYHUEFLCDYNCT-TZIWHRDSSA-N 0 3 354.425 3.101 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000547838447 504243894 /nfs/dbraw/zinc/24/38/94/504243894.db2.gz PMSDXECRASQWRF-QFIPXVFZSA-N 0 3 361.445 3.408 20 30 FGEDHN C[C@H]1CN(C[C@H](O)COc2ccccc2C#N)CCc2ccc(F)cc21 ZINC000528533733 504263514 /nfs/dbraw/zinc/26/35/14/504263514.db2.gz NLUYWSYTXYKZJO-KXBFYZLASA-N 0 3 354.425 3.099 20 30 FGEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1NC(=O)NC(C)(C)C ZINC000544814777 504267747 /nfs/dbraw/zinc/26/77/47/504267747.db2.gz HXDLBFOPZXHICS-CQSZACIVSA-N 0 3 351.410 3.195 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000541895517 504294522 /nfs/dbraw/zinc/29/45/22/504294522.db2.gz DSYUOGIFLLAQQF-SFHVURJKSA-N 0 3 362.433 3.242 20 30 FGEDHN Cn1cc(CN2CCC(CC#N)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000541921613 504301966 /nfs/dbraw/zinc/30/19/66/504301966.db2.gz NYUPIOUPTGYRHJ-UHFFFAOYSA-N 0 3 366.465 3.374 20 30 FGEDHN CCN(C[C@@H](C)C#N)C(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000531587790 504355789 /nfs/dbraw/zinc/35/57/89/504355789.db2.gz CWSXWYQFWZZVMN-KRWDZBQOSA-N 0 3 369.509 3.374 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000520060525 504405157 /nfs/dbraw/zinc/40/51/57/504405157.db2.gz WXLQQSIDUHBABE-JOCHJYFZSA-N 0 3 372.553 3.353 20 30 FGEDHN C=CCN(CCC(=O)NC(=O)Nc1ccccc1)CCc1ccccc1 ZINC000520130017 504416826 /nfs/dbraw/zinc/41/68/26/504416826.db2.gz NOTFTCXBVIIALY-UHFFFAOYSA-N 0 3 351.450 3.456 20 30 FGEDHN CC[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000520211347 504436228 /nfs/dbraw/zinc/43/62/28/504436228.db2.gz DHAMCBBQNULNGM-NQIIRXRSSA-N 0 3 354.450 3.390 20 30 FGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528921831 504451393 /nfs/dbraw/zinc/45/13/93/504451393.db2.gz WCHISPYCNBUVBO-MXSMSXNCSA-N 0 3 356.853 3.383 20 30 FGEDHN COC[C@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(C)C ZINC000542524488 504524941 /nfs/dbraw/zinc/52/49/41/504524941.db2.gz DOHFGHKTHDJRAG-KRWDZBQOSA-N 0 3 351.878 3.156 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(Br)c2)CC1 ZINC000520693556 504558242 /nfs/dbraw/zinc/55/82/42/504558242.db2.gz DMZHDLKNONRZMG-UHFFFAOYSA-N 0 3 366.303 3.289 20 30 FGEDHN COCc1ccc(NC(=O)NCc2cccc(CN(C)C)c2)cc1C#N ZINC000529213544 504587287 /nfs/dbraw/zinc/58/72/87/504587287.db2.gz ZOYIDSUJRSFVTF-UHFFFAOYSA-N 0 3 352.438 3.088 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1C#N ZINC000520868492 504599175 /nfs/dbraw/zinc/59/91/75/504599175.db2.gz FFIZENBPESWGAR-CQSZACIVSA-N 0 3 372.538 3.403 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000546005869 504672276 /nfs/dbraw/zinc/67/22/76/504672276.db2.gz ZHNHAEVVSNXJEN-GOSISDBHSA-N 0 3 364.449 3.353 20 30 FGEDHN CN(C)C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549245245 504736298 /nfs/dbraw/zinc/73/62/98/504736298.db2.gz OAUYCEJGFXMGHN-GOSISDBHSA-N 0 3 357.841 3.010 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000565148879 504808074 /nfs/dbraw/zinc/80/80/74/504808074.db2.gz XTJQLKMJUDOZED-YWZLYKJASA-N 0 3 351.450 3.265 20 30 FGEDHN Cn1cc([C@@H]2CN(Cc3ccc(C#N)cc3Cl)CC23CCOCC3)cn1 ZINC000556289738 504837676 /nfs/dbraw/zinc/83/76/76/504837676.db2.gz BBCNOUFDBMGJFX-SFHVURJKSA-N 0 3 370.884 3.341 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3c2OCC[C@@H]3OC)CC1 ZINC000562623005 504883460 /nfs/dbraw/zinc/88/34/60/504883460.db2.gz FSNHQJGVZGEVJG-SFHVURJKSA-N 0 3 359.470 3.319 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000556638962 504927953 /nfs/dbraw/zinc/92/79/53/504927953.db2.gz JFNFUWRSGZNCSI-UHFFFAOYSA-N 0 3 374.529 3.300 20 30 FGEDHN COc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)ccc1C#N ZINC000559797328 504929170 /nfs/dbraw/zinc/92/91/70/504929170.db2.gz OPRTZWCIJBVATG-UHFFFAOYSA-N 0 3 350.466 3.479 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000550167412 504983406 /nfs/dbraw/zinc/98/34/06/504983406.db2.gz NCRHVSZAGYIMCE-MOPGFXCFSA-N 0 3 373.460 3.208 20 30 FGEDHN Cc1ccc2nc(CNC3CCC(Oc4ccc(C#N)cn4)CC3)cn2c1 ZINC000560079132 504986389 /nfs/dbraw/zinc/98/63/89/504986389.db2.gz VVBILLHDABADTJ-UHFFFAOYSA-N 0 3 361.449 3.389 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000556883959 505005205 /nfs/dbraw/zinc/00/52/05/505005205.db2.gz IRADXIYFCFZEJR-CEWLAPEOSA-N 0 3 363.461 3.438 20 30 FGEDHN CC(C)COc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000562984126 505009893 /nfs/dbraw/zinc/00/98/93/505009893.db2.gz BNWFLPXFECUQAN-IBGZPJMESA-N 0 3 354.450 3.123 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@H]1n1cccn1 ZINC000550326994 505023178 /nfs/dbraw/zinc/02/31/78/505023178.db2.gz QAZLMBQBHZRLLQ-GVDBMIGSSA-N 0 3 364.371 3.282 20 30 FGEDHN C=CCN(C(=O)[C@@H]1CNCc2ccccc21)c1nc2c(s1)CCCC2 ZINC000563156025 505061960 /nfs/dbraw/zinc/06/19/60/505061960.db2.gz LOKRFZZUQNMWAI-MRXNPFEDSA-N 0 3 353.491 3.428 20 30 FGEDHN N#Cc1c2c(cnc1NC[C@@H]1CCCN(Cc3cccs3)C1)CCC2 ZINC000566135959 505093692 /nfs/dbraw/zinc/09/36/92/505093692.db2.gz VNPKZYHFRPPIRO-HNNXBMFYSA-N 0 3 352.507 3.249 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)cn2)CC1 ZINC000560473197 505096712 /nfs/dbraw/zinc/09/67/12/505096712.db2.gz YAHMJXOTOLHDCW-UHFFFAOYSA-N 0 3 370.840 3.332 20 30 FGEDHN C[C@@H](NCCn1cnc(C#N)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000560582527 505132995 /nfs/dbraw/zinc/13/29/95/505132995.db2.gz SXJLDYOPIGKXOF-GFCCVEGCSA-N 0 3 368.422 3.137 20 30 FGEDHN C=CC1CCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000554364824 505155528 /nfs/dbraw/zinc/15/55/28/505155528.db2.gz OTHMNRRBVYGNHJ-OSONQDNFSA-N 0 3 359.514 3.068 20 30 FGEDHN CN(C)CCN(Cc1ccnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000566370310 505156011 /nfs/dbraw/zinc/15/60/11/505156011.db2.gz DTKQGZLENHVNDD-UHFFFAOYSA-N 0 3 359.477 3.308 20 30 FGEDHN C=CCOCCN[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563496300 505156542 /nfs/dbraw/zinc/15/65/42/505156542.db2.gz XKHSNRDOSCCHJN-SJLPKXTDSA-N 0 3 354.853 3.322 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCCC[C@H]2c2ccccc2)nc1 ZINC000563564789 505178350 /nfs/dbraw/zinc/17/83/50/505178350.db2.gz LPTORNDLPDCFMA-OALUTQOASA-N 0 3 369.490 3.043 20 30 FGEDHN CCN(CC(=O)N1CCCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000557746137 505219971 /nfs/dbraw/zinc/21/99/71/505219971.db2.gz RWBWPURAKAGYQM-IBGZPJMESA-N 0 3 355.482 3.010 20 30 FGEDHN N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CNCCC3(F)F)cc2)c1 ZINC000560980688 505222598 /nfs/dbraw/zinc/22/25/98/505222598.db2.gz AAWDOZDJVKWDPZ-KRWDZBQOSA-N 0 3 372.375 3.469 20 30 FGEDHN COC(=O)C[C@@](C)(NCCOc1ccccc1C#N)c1cccc(OC)c1 ZINC000563770824 505233680 /nfs/dbraw/zinc/23/36/80/505233680.db2.gz RPUWVYGBZXVKBM-OAQYLSRUSA-N 0 3 368.433 3.014 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H](c3ccc4c(c3)OCCO4)C3CC3)n2c1 ZINC000551546912 505249707 /nfs/dbraw/zinc/24/97/07/505249707.db2.gz AMQWLLZWGDJOBZ-NRFANRHFSA-N 0 3 360.417 3.218 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CNC[C@]1(C)OCCc2sccc21 ZINC000563953302 505286678 /nfs/dbraw/zinc/28/66/78/505286678.db2.gz HLQOLLPTMFPLRC-UTKZUKDTSA-N 0 3 373.518 3.294 20 30 FGEDHN N#Cc1ccc(CN(C(=O)NC[C@H]2CCCCN2C2CC2)C2CC2)cc1 ZINC000564032518 505306525 /nfs/dbraw/zinc/30/65/25/505306525.db2.gz GAFPIKHFIDXDDS-HXUWFJFHSA-N 0 3 352.482 3.249 20 30 FGEDHN C=CCCCCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564098499 505325519 /nfs/dbraw/zinc/32/55/19/505325519.db2.gz RCFLRFNETZIKON-HDICACEKSA-N 0 3 351.535 3.264 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000564113043 505329293 /nfs/dbraw/zinc/32/92/93/505329293.db2.gz NGKWTNPAKDAZTK-HSZRJFAPSA-N 0 3 374.488 3.366 20 30 FGEDHN CN(C)C[C@H](CNC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000552025226 505373759 /nfs/dbraw/zinc/37/37/59/505373759.db2.gz GJZJRCDJSLGAED-SFHVURJKSA-N 0 3 355.869 3.481 20 30 FGEDHN C[C@@H](NCCn1cnc(C#N)n1)c1cc2cc(Br)ccc2o1 ZINC000552099787 505400222 /nfs/dbraw/zinc/40/02/22/505400222.db2.gz TZVJLABMSQPUEL-SNVBAGLBSA-N 0 3 360.215 3.009 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC3(CCC3)[C@H]2C2CC2)c(OC)c1 ZINC000564561050 505453727 /nfs/dbraw/zinc/45/37/27/505453727.db2.gz LFLSEPDNFYZUNV-GHTZIAJQSA-N 0 3 357.494 3.428 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567523863 505488192 /nfs/dbraw/zinc/48/81/92/505488192.db2.gz SGFYGICKRICJOV-MJGOQNOKSA-N 0 3 367.896 3.239 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000567622844 505517152 /nfs/dbraw/zinc/51/71/52/505517152.db2.gz ZTBDLDIHPYJGOH-HNAYVOBHSA-N 0 3 351.450 3.265 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000564849091 505538449 /nfs/dbraw/zinc/53/84/49/505538449.db2.gz JBWJZDCWDNCVQZ-FCEUIQTBSA-N 0 3 366.461 3.116 20 30 FGEDHN CN1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000552804361 505557715 /nfs/dbraw/zinc/55/77/15/505557715.db2.gz CSQMCWCEYXKRCU-FGZHOGPDSA-N 0 3 361.489 3.144 20 30 FGEDHN Cc1nc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(Cl)cc1C#N ZINC000596422806 506399001 /nfs/dbraw/zinc/39/90/01/506399001.db2.gz GZSVAPGFVCEJQW-QGZVFWFLSA-N 0 3 356.857 3.094 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN(CCc1cccc(F)c1)C1CC1 ZINC000599295426 506401078 /nfs/dbraw/zinc/40/10/78/506401078.db2.gz LUIDSIZDRYAJBC-HXUWFJFHSA-N 0 3 354.425 3.144 20 30 FGEDHN C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593115899 506402281 /nfs/dbraw/zinc/40/22/81/506402281.db2.gz NEUKYKSPNUMQCW-DNVCBOLYSA-N 0 3 354.425 3.099 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1cccc(N2CCCC2)c1 ZINC000599352665 506424625 /nfs/dbraw/zinc/42/46/25/506424625.db2.gz FFBDLZAXVGXMCL-UTKZUKDTSA-N 0 3 365.477 3.249 20 30 FGEDHN COc1ccc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)cc1Br ZINC000599351505 506424668 /nfs/dbraw/zinc/42/46/68/506424668.db2.gz ZAHWPVSRIRLBJH-DGCLKSJQSA-N 0 3 353.260 3.163 20 30 FGEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)COc1ccccc1C#N ZINC000599395375 506441772 /nfs/dbraw/zinc/44/17/72/506441772.db2.gz HOEIMPADWQRNQT-OALUTQOASA-N 0 3 374.868 3.271 20 30 FGEDHN CCc1ccc([C@H](CNc2ccc(C(=O)OC)nc2C#N)N(C)C)cc1 ZINC000589104076 506442505 /nfs/dbraw/zinc/44/25/05/506442505.db2.gz TWHNRJADYUEYJI-IBGZPJMESA-N 0 3 352.438 3.017 20 30 FGEDHN CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)COc1ccccc1C#N ZINC000599419993 506448008 /nfs/dbraw/zinc/44/80/08/506448008.db2.gz XEMDATARFGQTJF-HKUYNNGSSA-N 0 3 354.450 3.390 20 30 FGEDHN CC[C@H](c1cccc(OC)c1)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000599421038 506449470 /nfs/dbraw/zinc/44/94/70/506449470.db2.gz KXGWWCBHMRYITJ-UYAOXDASSA-N 0 3 354.450 3.390 20 30 FGEDHN C[C@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)CCc2ccc(Cl)cc21 ZINC000599451344 506461245 /nfs/dbraw/zinc/46/12/45/506461245.db2.gz WUFJWAGRDGTCEH-MAUKXSAKSA-N 0 3 362.901 3.373 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000596600843 506482581 /nfs/dbraw/zinc/48/25/81/506482581.db2.gz KSPKYYZGTRTYEN-PXNSSMCTSA-N 0 3 372.513 3.412 20 30 FGEDHN N#Cc1cc(N(C#N)C[C@H]2CN(Cc3ccccc3)CCCO2)ccc1F ZINC000589266395 506501837 /nfs/dbraw/zinc/50/18/37/506501837.db2.gz ZWMFEXKATXPUQG-HXUWFJFHSA-N 0 3 364.424 3.276 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@]2(CO)CCCC(C)(C)C2)c1C ZINC000599592860 506519840 /nfs/dbraw/zinc/51/98/40/506519840.db2.gz BAZIFIZLFPTFLE-JOCHJYFZSA-N 0 3 371.525 3.471 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000583007957 506537105 /nfs/dbraw/zinc/53/71/05/506537105.db2.gz VQQKCOOHAFWLED-DFGXFYAUSA-N 0 3 363.527 3.164 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1Cl ZINC000599626962 506538359 /nfs/dbraw/zinc/53/83/59/506538359.db2.gz SXRAGLMCDCPSGT-QZNHQWIBSA-N 0 3 363.889 3.297 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1Cl ZINC000599626961 506538543 /nfs/dbraw/zinc/53/85/43/506538543.db2.gz SXRAGLMCDCPSGT-CUYVQJCZSA-N 0 3 363.889 3.297 20 30 FGEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000599679404 506573836 /nfs/dbraw/zinc/57/38/36/506573836.db2.gz ZQYFODAZANBMEX-SFHVURJKSA-N 0 3 359.473 3.273 20 30 FGEDHN N#CCc1cccc2c1CCN(CCC(=O)NCc1ccccc1Cl)C2 ZINC000599679049 506575062 /nfs/dbraw/zinc/57/50/62/506575062.db2.gz OIBKORGHFWBRDP-UHFFFAOYSA-N 0 3 367.880 3.471 20 30 FGEDHN COc1ccc([C@H](NCCC(=O)Nc2cccc(C#N)c2)C2CC2)cn1 ZINC000599696800 506588296 /nfs/dbraw/zinc/58/82/96/506588296.db2.gz HOWIZDLYHSFDGN-HXUWFJFHSA-N 0 3 350.422 3.031 20 30 FGEDHN CC(C)CCOC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000603684466 506594723 /nfs/dbraw/zinc/59/47/23/506594723.db2.gz SQCAFMYTMBDFFR-IBGZPJMESA-N 0 3 360.498 3.019 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)[C@@H]2CCCO2)c1C#N ZINC000612503584 506599851 /nfs/dbraw/zinc/59/98/51/506599851.db2.gz IYZDVSAEUKEHMZ-KDOFPFPSSA-N 0 3 358.486 3.187 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(CCOCC2)[C@@H]1C ZINC000612540227 506616234 /nfs/dbraw/zinc/61/62/34/506616234.db2.gz UDVMLAPNTOQVAR-KGLIPLIRSA-N 0 3 361.873 3.430 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593429619 506616165 /nfs/dbraw/zinc/61/61/65/506616165.db2.gz IOWBGNYGRWSWCC-UHFFFAOYSA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000603892366 506649865 /nfs/dbraw/zinc/64/98/65/506649865.db2.gz OCHNEASPKVRHKG-XLIONFOSSA-N 0 3 372.509 3.126 20 30 FGEDHN COc1cc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)c(F)cc1C#N ZINC000599818510 506655024 /nfs/dbraw/zinc/65/50/24/506655024.db2.gz ZJQRVGYPRLETAZ-CQSZACIVSA-N 0 3 370.428 3.348 20 30 FGEDHN COc1cc(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)c(F)cc1C#N ZINC000599817988 506655077 /nfs/dbraw/zinc/65/50/77/506655077.db2.gz QGQBCAUSPBYBSG-MRXNPFEDSA-N 0 3 370.428 3.000 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000596895655 506661353 /nfs/dbraw/zinc/66/13/53/506661353.db2.gz MQCXPSYERQGOEE-CZUORRHYSA-N 0 3 355.388 3.402 20 30 FGEDHN Cc1nsc(NC(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)c1C#N ZINC000596906480 506668998 /nfs/dbraw/zinc/66/89/98/506668998.db2.gz RHVUIVFUPYIQDX-INIZCTEOSA-N 0 3 369.494 3.104 20 30 FGEDHN CCC[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCN1Cc1ccccc1 ZINC000583264236 506684996 /nfs/dbraw/zinc/68/49/96/506684996.db2.gz QMLOBBGWJVBEAY-OAQYLSRUSA-N 0 3 374.492 3.087 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C)c2ccccc2C1 ZINC000590077865 506727522 /nfs/dbraw/zinc/72/75/22/506727522.db2.gz VUXXXWYHLCQUDH-FQEVSTJZSA-N 0 3 352.478 3.107 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CNc1ccc(C#N)cc1 ZINC000608878091 506735263 /nfs/dbraw/zinc/73/52/63/506735263.db2.gz AKSBGEDJGFRUAW-UHFFFAOYSA-N 0 3 370.884 3.214 20 30 FGEDHN CCOC(=O)c1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593702370 506739507 /nfs/dbraw/zinc/73/95/07/506739507.db2.gz LTVHJRRLBFTSPK-UHFFFAOYSA-N 0 3 367.449 3.082 20 30 FGEDHN CC[C@@H](C#N)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000593738160 506753966 /nfs/dbraw/zinc/75/39/66/506753966.db2.gz OJZILESBMTXCCE-INIZCTEOSA-N 0 3 374.916 3.003 20 30 FGEDHN COC[C@H](C)Oc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000597128696 506790605 /nfs/dbraw/zinc/79/06/05/506790605.db2.gz DAAQTGPICYKQPO-OXJNMPFZSA-N 0 3 367.449 3.020 20 30 FGEDHN CN(C)CCOc1cc(-c2noc(/C=C/c3ccccc3C#N)n2)ccn1 ZINC000612962517 506841040 /nfs/dbraw/zinc/84/10/40/506841040.db2.gz ZBBJCLKIVCJZLV-BQYQJAHWSA-N 0 3 361.405 3.114 20 30 FGEDHN CCC1(N2CCOCC2)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000600209605 506847586 /nfs/dbraw/zinc/84/75/86/506847586.db2.gz WCXLVYIQZVATDP-UHFFFAOYSA-N 0 3 371.525 3.446 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000593972428 506858924 /nfs/dbraw/zinc/85/89/24/506858924.db2.gz CPBDGBJOTZYLIB-QGZVFWFLSA-N 0 3 367.468 3.466 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521380 506860156 /nfs/dbraw/zinc/86/01/56/506860156.db2.gz GTVKGACSGKPTNT-LMNJBCLMSA-N 0 3 357.498 3.094 20 30 FGEDHN COc1ccc(CNCCC(=O)N2CCCCCC2)cc1OCCCC#N ZINC000604525646 506862694 /nfs/dbraw/zinc/86/26/94/506862694.db2.gz PTOGBZNADXXXII-UHFFFAOYSA-N 0 3 373.497 3.260 20 30 FGEDHN COc1ccc(COCCN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000609385132 506871935 /nfs/dbraw/zinc/87/19/35/506871935.db2.gz SPLWOQISJZCXBV-UHFFFAOYSA-N 0 3 365.477 3.296 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000594007459 506878180 /nfs/dbraw/zinc/87/81/80/506878180.db2.gz WYWLQYZNEISXFK-FGSXEWAUSA-N 0 3 361.489 3.374 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](CC)[C@@H]2CCCCO2)cc1 ZINC000594044331 506903240 /nfs/dbraw/zinc/90/32/40/506903240.db2.gz QKOGAISBDYYPRH-UXHICEINSA-N 0 3 373.497 3.269 20 30 FGEDHN C=C(CNCc1ccccc1OCC(=O)NCC1CC1)c1ccccc1 ZINC000604763370 506933451 /nfs/dbraw/zinc/93/34/51/506933451.db2.gz MRNNRDBGCLGYNJ-UHFFFAOYSA-N 0 3 350.462 3.395 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1C ZINC000590756341 506939684 /nfs/dbraw/zinc/93/96/84/506939684.db2.gz QTSHBSSCLLRNPO-IOMROCGXSA-N 0 3 369.509 3.343 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000590778716 506950429 /nfs/dbraw/zinc/95/04/29/506950429.db2.gz VEGLJGDSJHSLNW-LPHOPBHVSA-N 0 3 352.459 3.096 20 30 FGEDHN CN1CCC[C@H](N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)C1 ZINC000609672918 506968915 /nfs/dbraw/zinc/96/89/15/506968915.db2.gz XVHJKNRYKZYLNB-QHCPKHFHSA-N 0 3 374.532 3.437 20 30 FGEDHN CCCN1CCN(c2ccc(NC(=O)[C@H](C)CC#N)c(OCC)c2)CC1 ZINC000597545446 507002208 /nfs/dbraw/zinc/00/22/08/507002208.db2.gz OINOVMULQIKPAK-MRXNPFEDSA-N 0 3 358.486 3.106 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)CC2(C#N)CCCCC2)c1 ZINC000597559170 507008828 /nfs/dbraw/zinc/00/88/28/507008828.db2.gz UYDFJZLYAXKZFE-UHFFFAOYSA-N 0 3 357.498 3.450 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C2 ZINC000594222714 507021620 /nfs/dbraw/zinc/02/16/20/507021620.db2.gz KDYHPSUWFZOZKS-NRFANRHFSA-N 0 3 360.461 3.248 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000609849884 507023507 /nfs/dbraw/zinc/02/35/07/507023507.db2.gz PRTUAGRUCBSIPD-SFHVURJKSA-N 0 3 355.442 3.070 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)N(C)C)cc1 ZINC000590943313 507051752 /nfs/dbraw/zinc/05/17/52/507051752.db2.gz XQQKCBZFKSLZTN-PKOBYXMFSA-N 0 3 360.527 3.346 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)N(C)C)cc1 ZINC000590943311 507052264 /nfs/dbraw/zinc/05/22/64/507052264.db2.gz XQQKCBZFKSLZTN-IEBWSBKVSA-N 0 3 360.527 3.346 20 30 FGEDHN N#CCCC1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000583931368 507055103 /nfs/dbraw/zinc/05/51/03/507055103.db2.gz KMXHUZDNQHTGNH-HXUWFJFHSA-N 0 3 354.498 3.234 20 30 FGEDHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000613389657 507064858 /nfs/dbraw/zinc/06/48/58/507064858.db2.gz JKUUEZYNVNDBME-CKFHNAJUSA-N 0 3 371.868 3.293 20 30 FGEDHN COc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000590978816 507069404 /nfs/dbraw/zinc/06/94/04/507069404.db2.gz GEVNYBYQYFIWBC-NQIIRXRSSA-N 0 3 352.434 3.144 20 30 FGEDHN COc1cc(CNC[C@H](O)CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000600713543 507078117 /nfs/dbraw/zinc/07/81/17/507078117.db2.gz BSQLOMJDNORNFK-LJQANCHMSA-N 0 3 366.461 3.419 20 30 FGEDHN C[C@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1ccccc1Cl ZINC000600722563 507082128 /nfs/dbraw/zinc/08/21/28/507082128.db2.gz HNZDOQBBUFZHMN-GDBMZVCRSA-N 0 3 360.841 3.008 20 30 FGEDHN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594333004 507082807 /nfs/dbraw/zinc/08/28/07/507082807.db2.gz IWDGQRACJZTFGW-SFHVURJKSA-N 0 3 373.460 3.388 20 30 FGEDHN Cc1ccncc1[C@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000591026630 507083929 /nfs/dbraw/zinc/08/39/29/507083929.db2.gz MOKUQKARGHWAOW-ZDUSSCGKSA-N 0 3 354.479 3.491 20 30 FGEDHN CC[C@@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1cccc(C)c1 ZINC000600725449 507084749 /nfs/dbraw/zinc/08/47/49/507084749.db2.gz CAFLMZLIYNAWKQ-MOPGFXCFSA-N 0 3 354.450 3.054 20 30 FGEDHN CCCOc1ccc(CNC[C@@H](O)COc2ccccc2C#N)c(C)c1 ZINC000600732745 507088893 /nfs/dbraw/zinc/08/88/93/507088893.db2.gz FCDZFBFKYRUPFM-LJQANCHMSA-N 0 3 354.450 3.185 20 30 FGEDHN COc1ccc(CCC2CCN(C(=O)[C@H](N)CCCCC#N)CC2)cc1 ZINC000594428192 507127062 /nfs/dbraw/zinc/12/70/62/507127062.db2.gz LQHHCBZNJWQRAM-HXUWFJFHSA-N 0 3 357.498 3.278 20 30 FGEDHN CCN(Cc1cccc(Br)c1)C(=O)[C@H](N)CCCCC#N ZINC000594428649 507127278 /nfs/dbraw/zinc/12/72/78/507127278.db2.gz NQWCOTXUVQWABA-OAHLLOKOSA-N 0 3 352.276 3.209 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000594428592 507128138 /nfs/dbraw/zinc/12/81/38/507128138.db2.gz ZPEKNEQDYOAUMG-QGZVFWFLSA-N 0 3 366.469 3.021 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000594429838 507129544 /nfs/dbraw/zinc/12/95/44/507129544.db2.gz XCDZGFAHIFWTHS-FOGDFJRCSA-N 0 3 373.341 3.423 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000594440334 507133810 /nfs/dbraw/zinc/13/38/10/507133810.db2.gz XMHFWKMLGGNWLF-GOSISDBHSA-N 0 3 371.485 3.444 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000594441035 507135691 /nfs/dbraw/zinc/13/56/91/507135691.db2.gz LKCYHIIQPDIALR-MRXNPFEDSA-N 0 3 369.494 3.056 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000594444910 507136337 /nfs/dbraw/zinc/13/63/37/507136337.db2.gz FMVMLKXCQONMSR-NEPJUHHUSA-N 0 3 374.432 3.279 20 30 FGEDHN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594447569 507139666 /nfs/dbraw/zinc/13/96/66/507139666.db2.gz YTUVAXMOXSSOHU-SMDDNHRTSA-N 0 3 368.275 3.046 20 30 FGEDHN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN(C)C1CCC1 ZINC000600830149 507140145 /nfs/dbraw/zinc/14/01/45/507140145.db2.gz QNZHSJPYYSYNGL-ZDUSSCGKSA-N 0 3 353.388 3.430 20 30 FGEDHN CC[C@H](c1nnc(NC(=O)[C@H](N)CCCCC#N)s1)c1ccccc1 ZINC000594469352 507146771 /nfs/dbraw/zinc/14/67/71/507146771.db2.gz VHJMANGKENRGBZ-LSDHHAIUSA-N 0 3 357.483 3.430 20 30 FGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000594504633 507158905 /nfs/dbraw/zinc/15/89/05/507158905.db2.gz QCEARFGMSDDLAR-OAQYLSRUSA-N 0 3 372.472 3.250 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000613579973 507166226 /nfs/dbraw/zinc/16/62/26/507166226.db2.gz KMUDXZIJNADJNR-TZIWHRDSSA-N 0 3 356.514 3.478 20 30 FGEDHN N#Cc1cc(F)c(NC2CCN([C@@H]3CCOC3)CC2)cc1Br ZINC000594566937 507190041 /nfs/dbraw/zinc/19/00/41/507190041.db2.gz OOMABUVZIWAROE-CYBMUJFWSA-N 0 3 368.250 3.125 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C3CCC3)C2)cc1 ZINC000591340894 507209882 /nfs/dbraw/zinc/20/98/82/507209882.db2.gz APMUMMNSFXRIJN-DZGCQCFKSA-N 0 3 361.467 3.026 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000610458438 507249019 /nfs/dbraw/zinc/24/90/19/507249019.db2.gz RZCJLXUINPUKMR-SFHVURJKSA-N 0 3 362.477 3.364 20 30 FGEDHN CC(C)c1ccc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000610497372 507263884 /nfs/dbraw/zinc/26/38/84/507263884.db2.gz GHICGEMKEALHLP-UHFFFAOYSA-N 0 3 356.491 3.288 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000598195085 507305973 /nfs/dbraw/zinc/30/59/73/507305973.db2.gz KTVGWZKNXIXNBR-JOCHJYFZSA-N 0 3 361.489 3.266 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000598196068 507307520 /nfs/dbraw/zinc/30/75/20/507307520.db2.gz YYSWKSIIIWINOO-JOCHJYFZSA-N 0 3 373.500 3.365 20 30 FGEDHN CN1CCN(C[C@H](NCc2ccc(C3(C#N)CC3)cc2)c2ccccc2)CC1 ZINC000594924650 507318170 /nfs/dbraw/zinc/31/81/70/507318170.db2.gz KHNCYJMTCFFACF-QHCPKHFHSA-N 0 3 374.532 3.320 20 30 FGEDHN N#CCc1ccccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000601301094 507328676 /nfs/dbraw/zinc/32/86/76/507328676.db2.gz QTPREWGZNQZEII-UHFFFAOYSA-N 0 3 363.461 3.209 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@@H](CO)c3ccc(F)cc3F)CC2)cc1 ZINC000594995569 507346653 /nfs/dbraw/zinc/34/66/53/507346653.db2.gz NMTBEFIUUZULHZ-NRFANRHFSA-N 0 3 371.431 3.124 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCCCCc2ccc(F)cc2)c1 ZINC000591761356 507350617 /nfs/dbraw/zinc/35/06/17/507350617.db2.gz CRRKIRGLIAJXIW-UHFFFAOYSA-N 0 3 374.481 3.474 20 30 FGEDHN C[C@H]1CCCCN1CCOc1ccccc1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591796681 507363446 /nfs/dbraw/zinc/36/34/46/507363446.db2.gz UDJPWVVYVJJWKH-OKZBNKHCSA-N 0 3 355.482 3.362 20 30 FGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000584690099 507451202 /nfs/dbraw/zinc/45/12/02/507451202.db2.gz UUQQSUQRFZABPQ-JJEOQYAHSA-N 0 3 361.489 3.425 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000592040449 507462960 /nfs/dbraw/zinc/46/29/60/507462960.db2.gz MFXNEFAIBLWBJG-OAQYLSRUSA-N 0 3 362.477 3.169 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)o2)c1 ZINC000610995348 507473573 /nfs/dbraw/zinc/47/35/73/507473573.db2.gz WGLZBFPXVYNGJZ-PKOBYXMFSA-N 0 3 363.465 3.057 20 30 FGEDHN N#Cc1ccc(CCN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000595407508 507481937 /nfs/dbraw/zinc/48/19/37/507481937.db2.gz BSJXKDZLFOADPT-FQEVSTJZSA-N 0 3 351.494 3.215 20 30 FGEDHN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598596083 507510912 /nfs/dbraw/zinc/51/09/12/507510912.db2.gz HNHHESXPUUDIRL-YYWHXJBOSA-N 0 3 372.557 3.223 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C1 ZINC000595464263 507511514 /nfs/dbraw/zinc/51/15/14/507511514.db2.gz HXSZASJVWSXXNY-DYESRHJHSA-N 0 3 362.477 3.235 20 30 FGEDHN N#Cc1ccc(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000595464433 507511551 /nfs/dbraw/zinc/51/15/51/507511551.db2.gz GPOACGOXORGSBQ-NRFANRHFSA-N 0 3 362.477 3.065 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000598597327 507512084 /nfs/dbraw/zinc/51/20/84/507512084.db2.gz ZNJWVHWGTTUDON-DOTOQJQBSA-N 0 3 372.444 3.356 20 30 FGEDHN Cc1ccc(C2(NC[C@H](O)COc3ccc(CC#N)cc3)CCC2)cc1 ZINC000592189801 507531596 /nfs/dbraw/zinc/53/15/96/507531596.db2.gz WKKCBHUFBSPMOC-FQEVSTJZSA-N 0 3 350.462 3.470 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(CCO)CCCC1 ZINC000595508765 507536617 /nfs/dbraw/zinc/53/66/17/507536617.db2.gz KVQKNPMHEABJSH-OAHLLOKOSA-N 0 3 361.511 3.304 20 30 FGEDHN N#Cc1ccc(CCC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000611197482 507558460 /nfs/dbraw/zinc/55/84/60/507558460.db2.gz HMPDCFTYXDZLEE-UHFFFAOYSA-N 0 3 363.461 3.086 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000595661710 507617691 /nfs/dbraw/zinc/61/76/91/507617691.db2.gz KJAVFFFAWKHBNO-QRVBRYPASA-N 0 3 354.498 3.341 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000595661709 507617889 /nfs/dbraw/zinc/61/78/89/507617889.db2.gz KJAVFFFAWKHBNO-GUDVDZBRSA-N 0 3 354.498 3.341 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000611386643 507655234 /nfs/dbraw/zinc/65/52/34/507655234.db2.gz QDTBTJXQVGIDMZ-UZLBHIALSA-N 0 3 366.461 3.386 20 30 FGEDHN N#Cc1cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000586756927 507660126 /nfs/dbraw/zinc/66/01/26/507660126.db2.gz RXJJYQCJFDKVIZ-QGZVFWFLSA-N 0 3 351.425 3.339 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)NCC3CCCCC3)CCOCC2)c1 ZINC000595763815 507674599 /nfs/dbraw/zinc/67/45/99/507674599.db2.gz DGUOVVZYWMTICM-UHFFFAOYSA-N 0 3 369.509 3.240 20 30 FGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595783880 507683104 /nfs/dbraw/zinc/68/31/04/507683104.db2.gz CNSWTOCQIZZHBP-GOSISDBHSA-N 0 3 366.509 3.477 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000586823735 507684835 /nfs/dbraw/zinc/68/48/35/507684835.db2.gz NOEIQJNCZXOTIX-GOSISDBHSA-N 0 3 356.857 3.420 20 30 FGEDHN C=CCOCCN[C@@H]1CCCOc2ccc(I)cc21 ZINC000611559899 507738882 /nfs/dbraw/zinc/73/88/82/507738882.db2.gz INFNSDKDMDLKHV-CQSZACIVSA-N 0 3 373.234 3.297 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(CO)CCCCC1 ZINC000611463058 507692015 /nfs/dbraw/zinc/69/20/15/507692015.db2.gz RQKUWKRUCPXKEK-OAHLLOKOSA-N 0 3 361.511 3.162 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCOC(C3CC3)(C3CC3)C2)cc1Cl ZINC000595821775 507699932 /nfs/dbraw/zinc/69/99/32/507699932.db2.gz FWHFJXGFPYOQTR-UHFFFAOYSA-N 0 3 373.884 3.431 20 30 FGEDHN Cc1cccc(N2CCN(CCCCNc3cc(C#N)cc(C)n3)CC2)c1 ZINC000587178309 507706584 /nfs/dbraw/zinc/70/65/84/507706584.db2.gz DGNGYRMUDMWHNJ-UHFFFAOYSA-N 0 3 363.509 3.006 20 30 FGEDHN CC[C@@H](C(=O)N1CCC(NCc2cccc(C#N)n2)CC1)c1ccccc1 ZINC000602526996 507739069 /nfs/dbraw/zinc/73/90/69/507739069.db2.gz HKBPCQIBKIVXHR-OAQYLSRUSA-N 0 3 362.477 3.228 20 30 FGEDHN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)s1 ZINC000595915462 507742314 /nfs/dbraw/zinc/74/23/14/507742314.db2.gz ZQMWPTWEUQMDAJ-MRXNPFEDSA-N 0 3 355.463 3.375 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000602540757 507743065 /nfs/dbraw/zinc/74/30/65/507743065.db2.gz JVHSBIDRFUBZHB-CQSZACIVSA-N 0 3 362.271 3.239 20 30 FGEDHN Cc1cc(=NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)[nH]n1CCC#N ZINC000540816688 562593784 /nfs/dbraw/zinc/59/37/84/562593784.db2.gz XXHPWRIUCMEJQL-AEFFLSMTSA-N 0 3 366.469 3.062 20 30 FGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821110138 607057564 /nfs/dbraw/zinc/05/75/64/607057564.db2.gz XDCOTULSCBWBLQ-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821110138 607057565 /nfs/dbraw/zinc/05/75/65/607057565.db2.gz XDCOTULSCBWBLQ-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821110138 607057567 /nfs/dbraw/zinc/05/75/67/607057567.db2.gz XDCOTULSCBWBLQ-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821110138 607057568 /nfs/dbraw/zinc/05/75/68/607057568.db2.gz XDCOTULSCBWBLQ-UHFFFAOYSA-N 0 3 350.401 3.290 20 30 FGEDHN CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823958801 609515748 /nfs/dbraw/zinc/51/57/48/609515748.db2.gz XGCJNZKJQXDWRM-SFHVURJKSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958801 609515750 /nfs/dbraw/zinc/51/57/50/609515750.db2.gz XGCJNZKJQXDWRM-SFHVURJKSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823958801 609515752 /nfs/dbraw/zinc/51/57/52/609515752.db2.gz XGCJNZKJQXDWRM-SFHVURJKSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958801 609515754 /nfs/dbraw/zinc/51/57/54/609515754.db2.gz XGCJNZKJQXDWRM-SFHVURJKSA-N 0 3 361.453 3.177 20 30 FGEDHN N#CC(C(=O)c1csc(Br)c1)c1nnc2n1CCCCC2 ZINC000041505936 695762632 /nfs/dbraw/zinc/76/26/32/695762632.db2.gz XCENONUGHKELOA-SNVBAGLBSA-N 0 3 365.256 3.319 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)cs1 ZINC000107408470 700516528 /nfs/dbraw/zinc/51/65/28/700516528.db2.gz YZUBWAIUDSYDBI-CYBMUJFWSA-N 0 3 371.300 3.458 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCSc1ccc(Br)cc1 ZINC000121370646 700670844 /nfs/dbraw/zinc/67/08/44/700670844.db2.gz YAKDAVLJWPEXQO-CYBMUJFWSA-N 0 3 369.284 3.165 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc(C)nc(Cl)c1 ZINC000123848613 700710879 /nfs/dbraw/zinc/71/08/79/700710879.db2.gz DOMDSCBFLCRXRA-ZDUSSCGKSA-N 0 3 357.797 3.403 20 30 FGEDHN N#Cc1ccc2ncc(CNC[C@@H](O)c3c(Cl)cccc3Cl)n2c1 ZINC000124243635 700717051 /nfs/dbraw/zinc/71/70/51/700717051.db2.gz WORBLJIKIMIUQQ-OAHLLOKOSA-N 0 3 361.232 3.336 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCCOC1 ZINC000171035462 705371891 /nfs/dbraw/zinc/37/18/91/705371891.db2.gz XOVDBSSGDGBDKG-GWCFXTLKSA-N 0 3 354.378 3.075 20 30 FGEDHN N#CC(C(=O)CCc1cc(Cl)ccc1Br)C(=O)NC1CC1 ZINC000176019452 705567941 /nfs/dbraw/zinc/56/79/41/705567941.db2.gz CNQQNGUTRRDNJH-GFCCVEGCSA-N 0 3 369.646 3.023 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(C)n2)cc1Cl ZINC000193477893 712892671 /nfs/dbraw/zinc/89/26/71/712892671.db2.gz QEVQRFVWOOMICJ-GFCCVEGCSA-N 0 3 363.826 3.004 20 30 FGEDHN N#CC(C(=O)COCc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000193475473 712892793 /nfs/dbraw/zinc/89/27/93/712892793.db2.gz COKAKVQUKVMYRL-CQSZACIVSA-N 0 3 360.772 3.343 20 30 FGEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246411882 713623532 /nfs/dbraw/zinc/62/35/32/713623532.db2.gz BFOYFVCEGBOXFJ-DLBZAZTESA-N 0 3 363.527 3.178 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2nccs2)CC1 ZINC000523371299 714230306 /nfs/dbraw/zinc/23/03/06/714230306.db2.gz FIRHJUXEHKOEIF-GOSISDBHSA-N 0 3 358.507 3.491 20 30 FGEDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000615806913 714550518 /nfs/dbraw/zinc/55/05/18/714550518.db2.gz RJNBCNVXKYLUIP-HOCLYGCPSA-N 0 3 356.388 3.155 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)cc(Br)c2F)CC1 ZINC000625322106 715705453 /nfs/dbraw/zinc/70/54/53/715705453.db2.gz QNSBCCRDBOOUDX-UHFFFAOYSA-N 0 3 355.251 3.277 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCCC(F)(F)CC2)c(OC)c1 ZINC000625767231 715786307 /nfs/dbraw/zinc/78/63/07/715786307.db2.gz OTJMULMWWVOPNC-MRXNPFEDSA-N 0 3 355.425 3.285 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H](C)c2cnc(C)s2)c(OC)c1 ZINC000634727477 717111247 /nfs/dbraw/zinc/11/12/47/717111247.db2.gz WEIZMRBBOFZHTK-CJNGLKHVSA-N 0 3 362.495 3.279 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nc3cccc(OC)c3s2)CC1 ZINC000654221960 719157135 /nfs/dbraw/zinc/15/71/35/719157135.db2.gz YWFADMSTSSGXGU-UHFFFAOYSA-N 0 3 360.483 3.467 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](NC)c2cccc(Cl)c2Cl)CC1 ZINC000662447887 720429416 /nfs/dbraw/zinc/42/94/16/720429416.db2.gz CBJCQZXJHUXLBK-MRXNPFEDSA-N 0 3 356.297 3.021 20 30 FGEDHN N#Cc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc2ccccc12 ZINC001164732498 720436568 /nfs/dbraw/zinc/43/65/68/720436568.db2.gz NUSHVOYBCVYNNK-RTWAWAEBSA-N 0 3 355.445 3.355 20 30 FGEDHN CC(C)(C#N)CCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000783116854 724726011 /nfs/dbraw/zinc/72/60/11/724726011.db2.gz PEMLUGSBFAJVHQ-ZDUSSCGKSA-N 0 3 350.365 3.191 20 30 FGEDHN CC(C)(C#N)CCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000783116852 724726086 /nfs/dbraw/zinc/72/60/86/724726086.db2.gz PEMLUGSBFAJVHQ-CYBMUJFWSA-N 0 3 350.365 3.191 20 30 FGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCc2ccsc2)cc1 ZINC000783358686 724749037 /nfs/dbraw/zinc/74/90/37/724749037.db2.gz RBBBQKICNGSQSY-KRWDZBQOSA-N 0 3 356.447 3.105 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1Cl ZINC000783358058 724749063 /nfs/dbraw/zinc/74/90/63/724749063.db2.gz WWDWJAAUWYGQDB-NQBHXWOUSA-N 0 3 362.813 3.001 20 30 FGEDHN CCCCSCCC(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000740536786 722536419 /nfs/dbraw/zinc/53/64/19/722536419.db2.gz VSRYKCSUSNPLME-AWEZNQCLSA-N 0 3 362.451 3.029 20 30 FGEDHN N#CC(C(=O)C[C@H]1CCOC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000740529901 722536426 /nfs/dbraw/zinc/53/64/26/722536426.db2.gz YGWNOBLPSDSLOG-MFKMUULPSA-N 0 3 354.378 3.075 20 30 FGEDHN C[C@@H]1CCCC[C@H]1NC(=S)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000743827895 722571634 /nfs/dbraw/zinc/57/16/34/722571634.db2.gz SBGMNNILDULHBQ-VQIMIIECSA-N 0 3 358.555 3.375 20 30 FGEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000747018179 722627198 /nfs/dbraw/zinc/62/71/98/722627198.db2.gz ATPOVMHBQKCDPJ-QGZVFWFLSA-N 0 3 356.809 3.247 20 30 FGEDHN N#CC(C(=O)CSCc1cscn1)C(=O)Nc1ccccc1Cl ZINC000747205309 722636611 /nfs/dbraw/zinc/63/66/11/722636611.db2.gz RMRSUDKBVWJXDL-NSHDSACASA-N 0 3 365.867 3.377 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000752477827 722858690 /nfs/dbraw/zinc/85/86/90/722858690.db2.gz LEXSJIVNTWPPBF-LBPRGKRZSA-N 0 3 355.737 3.148 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000752477827 722858692 /nfs/dbraw/zinc/85/86/92/722858692.db2.gz LEXSJIVNTWPPBF-LBPRGKRZSA-N 0 3 355.737 3.148 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCC(C)=O ZINC000755747161 722956445 /nfs/dbraw/zinc/95/64/45/722956445.db2.gz AMZYYYRKAMLUTC-LBPRGKRZSA-N 0 3 350.802 3.064 20 30 FGEDHN C#CCNC(=S)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000758233689 722986645 /nfs/dbraw/zinc/98/66/45/722986645.db2.gz KWZRDAPNQZBHIP-HOCLYGCPSA-N 0 3 369.456 3.186 20 30 FGEDHN N#CCCNC(=O)CNC1(c2cccc(Br)c2)CCCCC1 ZINC000763607565 723355643 /nfs/dbraw/zinc/35/56/43/723355643.db2.gz FOQQTEMYKCXTTI-UHFFFAOYSA-N 0 3 364.287 3.228 20 30 FGEDHN Cn1ccc(CCC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000796745798 723653134 /nfs/dbraw/zinc/65/31/34/723653134.db2.gz MTLGNJWXFQWENJ-CQSZACIVSA-N 0 3 365.220 3.007 20 30 FGEDHN CCC(=O)N[C@H](CCSC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567759 723836060 /nfs/dbraw/zinc/83/60/60/723836060.db2.gz BETKINVIKDMSRT-VXGBXAGGSA-N 0 3 367.540 3.265 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCC(=O)CC1 ZINC000773981173 723845521 /nfs/dbraw/zinc/84/55/21/723845521.db2.gz XLVPTNVICNMBFG-LBPRGKRZSA-N 0 3 353.205 3.400 20 30 FGEDHN C[C@H](C#N)OCCN1CCC(Oc2cccc(Br)c2)CC1 ZINC000801941722 724348418 /nfs/dbraw/zinc/34/84/18/724348418.db2.gz VAVOJIFMBVPBHB-CYBMUJFWSA-N 0 3 353.260 3.221 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCCOCC1 ZINC000786302801 724972284 /nfs/dbraw/zinc/97/22/84/724972284.db2.gz CFNWUDPQHFCNAF-FZMZJTMJSA-N 0 3 368.405 3.465 20 30 FGEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000786537754 724987476 /nfs/dbraw/zinc/98/74/76/724987476.db2.gz KRGBFCUBUBAKNV-KBRIMQKVSA-N 0 3 362.857 3.260 20 30 FGEDHN CC(=O)[C@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786541970 724987998 /nfs/dbraw/zinc/98/79/98/724987998.db2.gz XTKCYWVYHSAVBK-CXAGYDPISA-N 0 3 362.857 3.451 20 30 FGEDHN CCOC(=O)C1(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)CCC1 ZINC000789340888 725122888 /nfs/dbraw/zinc/12/28/88/725122888.db2.gz CAAYWBWDVFFVBH-GFCCVEGCSA-N 0 3 362.813 3.111 20 30 FGEDHN CCC[C@H](CCCS(C)(=O)=O)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000789405843 725126951 /nfs/dbraw/zinc/12/69/51/725126951.db2.gz SNADHGALWHONCU-ZIAGYGMSSA-N 0 3 362.451 3.245 20 30 FGEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](CC)O1 ZINC000817280478 727235823 /nfs/dbraw/zinc/23/58/23/727235823.db2.gz HHXIVRSCTIDLBG-ZNMIVQPWSA-N 0 3 357.479 3.362 20 30 FGEDHN C#CCN(C)CCCNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000818602985 727316387 /nfs/dbraw/zinc/31/63/87/727316387.db2.gz KWNGXKHJBHCILM-SDXDJHTJSA-N 0 3 356.466 3.499 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000818615762 727316990 /nfs/dbraw/zinc/31/69/90/727316990.db2.gz VMTQFVUWFHUETM-UHFFFAOYSA-N 0 3 361.898 3.457 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCCN(C)C2)s1 ZINC000819246674 727361246 /nfs/dbraw/zinc/36/12/46/727361246.db2.gz DBPUQODCKYFLFZ-LBPRGKRZSA-N 0 3 359.948 3.049 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Nc1cc(CC#N)ccn1)c1ccsc1 ZINC000871719213 735538367 /nfs/dbraw/zinc/53/83/67/735538367.db2.gz CVUHTRYZUPRSOP-MRXNPFEDSA-N 0 3 357.483 3.414 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@H](CC(F)(F)F)c1ccccc1C ZINC000836490178 729957573 /nfs/dbraw/zinc/95/75/73/729957573.db2.gz MFEYAJDMPYVTKF-MRXNPFEDSA-N 0 3 355.404 3.243 20 30 FGEDHN CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(=O)NCc1cccs1 ZINC000842909436 730555740 /nfs/dbraw/zinc/55/57/40/730555740.db2.gz SJPKPBCMQIMGPR-KBXCAEBGSA-N 0 3 357.479 3.396 20 30 FGEDHN CN1C[C@@H](C(=O)C(C#N)c2nc(C3CC3)cs2)c2ccccc2C1=O ZINC000842942633 730560749 /nfs/dbraw/zinc/56/07/49/730560749.db2.gz CEKWRSFRGDRDCA-HUUCEWRRSA-N 0 3 351.431 3.066 20 30 FGEDHN CC(=O)N1c2ccccc2C[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942888 730561027 /nfs/dbraw/zinc/56/10/27/730561027.db2.gz REUNDJPXMYDNAQ-PBHICJAKSA-N 0 3 351.431 3.175 20 30 FGEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000845632685 730873136 /nfs/dbraw/zinc/87/31/36/730873136.db2.gz DMFHEPZGVUBVCX-ZDUSSCGKSA-N 0 3 359.392 3.285 20 30 FGEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1c(Cl)cccc1Cl ZINC000847621714 731071254 /nfs/dbraw/zinc/07/12/54/731071254.db2.gz QIRKGEKGCYJNQL-CYBMUJFWSA-N 0 3 371.264 3.178 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000848525977 731175287 /nfs/dbraw/zinc/17/52/87/731175287.db2.gz UGFPYHBAVALBKN-UHFFFAOYSA-N 0 3 357.479 3.149 20 30 FGEDHN N#CC1(COC(=O)Cc2cscn2)CCN(Cc2ccccc2)CC1 ZINC000853131146 731669133 /nfs/dbraw/zinc/66/91/33/731669133.db2.gz BGLLQYLJVWTSKQ-UHFFFAOYSA-N 0 3 355.463 3.035 20 30 FGEDHN COC1CC(C(=O)C(C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000860693334 732555265 /nfs/dbraw/zinc/55/52/65/732555265.db2.gz GDSDWZDGIBBTMH-HKHGVZJESA-N 0 3 369.248 3.304 20 30 FGEDHN N#CCc1ccsc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000867939058 733535380 /nfs/dbraw/zinc/53/53/80/733535380.db2.gz DOCONTLMUSRMPE-UHFFFAOYSA-N 0 3 371.428 3.349 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nc(NC(=O)CCC)sc2c1 ZINC000876593278 736118578 /nfs/dbraw/zinc/11/85/78/736118578.db2.gz FFYNDBQRGBDPCU-LLVKDONJSA-N 0 3 366.874 3.443 20 30 FGEDHN C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000877256355 736201613 /nfs/dbraw/zinc/20/16/13/736201613.db2.gz SYJRVWHUIHTISF-FUHWJXTLSA-N 0 3 351.853 3.424 20 30 FGEDHN COc1ccccc1[C@@H]1CSCCCN1C(=O)[C@H](N)CCCCC#N ZINC000877453742 736221208 /nfs/dbraw/zinc/22/12/08/736221208.db2.gz GSRFOGGXYNNXPZ-SJORKVTESA-N 0 3 361.511 3.113 20 30 FGEDHN N#Cc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC000877503356 736674375 /nfs/dbraw/zinc/67/43/75/736674375.db2.gz JOSNLEQYTQALRF-UHFFFAOYSA-N 0 3 355.869 3.463 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3c(Cl)c(Cl)ccc3C1)C2 ZINC000884120106 737635434 /nfs/dbraw/zinc/63/54/34/737635434.db2.gz DQTKSISUFYOVCT-YNAXMUEKSA-N 0 3 364.276 3.017 20 30 FGEDHN CC(C)[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Cl)cc1F ZINC000884320561 737655190 /nfs/dbraw/zinc/65/51/90/737655190.db2.gz SXOMSWPOPDOOQR-YYIHLEAYSA-N 0 3 363.864 3.432 20 30 FGEDHN C#CCC1(NCc2cnc(NC(=O)OC(C)(C)C)s2)CCOCC1 ZINC000886379095 739251523 /nfs/dbraw/zinc/25/15/23/739251523.db2.gz NOOZCIHPQZQTIJ-UHFFFAOYSA-N 0 3 351.472 3.152 20 30 FGEDHN C#CCN(C(=O)c1cc(Br)ccc1Cl)C1CCN(C)CC1 ZINC000886589442 739272992 /nfs/dbraw/zinc/27/29/92/739272992.db2.gz VSJBLIAABCIVHN-UHFFFAOYSA-N 0 3 369.690 3.272 20 30 FGEDHN C#CC[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000887705737 739413630 /nfs/dbraw/zinc/41/36/30/739413630.db2.gz XMINCHZRRPTASC-SFHVURJKSA-N 0 3 357.523 3.155 20 30 FGEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000892484811 740005537 /nfs/dbraw/zinc/00/55/37/740005537.db2.gz QLPBAURGIKBJEJ-ZWKOPEQDSA-N 0 3 354.378 3.074 20 30 FGEDHN CO[C@]1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCSC1 ZINC000892539028 740013405 /nfs/dbraw/zinc/01/34/05/740013405.db2.gz RLRWLARTFUVTHS-QLJPJBMISA-N 0 3 351.378 3.130 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC1CC(S(=O)(=O)c2ccccc2)C1 ZINC000894100774 742239229 /nfs/dbraw/zinc/23/92/29/742239229.db2.gz ALYMQVIKPMITND-OUNSHVDWSA-N 0 3 352.459 3.140 20 30 FGEDHN CSCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000896941278 742618910 /nfs/dbraw/zinc/61/89/10/742618910.db2.gz QZZMPFCNVCRUIX-UHFFFAOYSA-N 0 3 355.511 3.434 20 30 FGEDHN C[C@](O)(CNCc1cnccc1C(F)(F)F)C(F)(F)C(F)(F)F ZINC000905388096 744017651 /nfs/dbraw/zinc/01/76/51/744017651.db2.gz XKVXDVQOXUWBJH-VIFPVBQESA-N 0 3 352.225 3.139 20 30 FGEDHN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C(C)(C)C1 ZINC000940839917 762165522 /nfs/dbraw/zinc/16/55/22/762165522.db2.gz QYGYPFIZULLAKH-OAGGEKHMSA-N 0 3 356.432 3.371 20 30 FGEDHN C[C@@H]1CCCC[C@H]1NC(=S)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000916015734 758024520 /nfs/dbraw/zinc/02/45/20/758024520.db2.gz HUHNAZXNHCBPML-VQIMIIECSA-N 0 3 358.555 3.375 20 30 FGEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000916307115 758068084 /nfs/dbraw/zinc/06/80/84/758068084.db2.gz RMXHJSTVIQPOTQ-UHFFFAOYSA-N 0 3 356.495 3.132 20 30 FGEDHN N#CC(C(=O)COc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916936258 758154974 /nfs/dbraw/zinc/15/49/74/758154974.db2.gz FRNPNAUKPXRBJZ-ZDUSSCGKSA-N 0 3 364.735 3.345 20 30 FGEDHN C#CCN(C(=O)NCc1ccc(C(F)(F)F)s1)C1CCN(C)CC1 ZINC000923971207 759224662 /nfs/dbraw/zinc/22/46/62/759224662.db2.gz DMRSBUAXLAZZJP-UHFFFAOYSA-N 0 3 359.417 3.006 20 30 FGEDHN CC(C)[C@H](O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940192 761280064 /nfs/dbraw/zinc/28/00/64/761280064.db2.gz OGAJHQQLSJCHIG-LPEHRKFASA-N 0 3 369.296 3.496 20 30 FGEDHN CC1(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1 ZINC000932945459 761282754 /nfs/dbraw/zinc/28/27/54/761282754.db2.gz XLGLTYVVHCRIIM-YUMQZZPRSA-N 0 3 353.253 3.126 20 30 FGEDHN C#Cc1ccc(NC(=O)NC2CCN(CCOC(C)C)CC2)c(Cl)c1 ZINC000933366368 761371800 /nfs/dbraw/zinc/37/18/00/761371800.db2.gz OUZUJOQVTHYNCC-UHFFFAOYSA-N 0 3 363.889 3.332 20 30 FGEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](Cc2nccs2)C1)c1ccccc1 ZINC000934333282 761597889 /nfs/dbraw/zinc/59/78/89/761597889.db2.gz VUSJRAGTIZRDPW-XLIONFOSSA-N 0 3 353.491 3.448 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC000982063931 763553452 /nfs/dbraw/zinc/55/34/52/763553452.db2.gz CALPARMCEFJSNQ-ROUUACIJSA-N 0 3 360.523 3.154 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)Cc2ccccc2Cl)CC1 ZINC000985656477 763974876 /nfs/dbraw/zinc/97/48/76/763974876.db2.gz AZDKDEHGEYNYIW-MJGOQNOKSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001004489510 765433819 /nfs/dbraw/zinc/43/38/19/765433819.db2.gz MEZPBNVUTTVUIP-INDMIFKZSA-N 0 3 366.933 3.257 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001004495744 765434740 /nfs/dbraw/zinc/43/47/40/765434740.db2.gz VWDOWOYUHOPPKR-KURKYZTESA-N 0 3 354.922 3.257 20 30 FGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001016865378 765825290 /nfs/dbraw/zinc/82/52/90/765825290.db2.gz BKIKXMPYPLADSY-OTWHNJEPSA-N 0 3 356.897 3.438 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001017225663 765835253 /nfs/dbraw/zinc/83/52/53/765835253.db2.gz DGMVVZHOJCXZAZ-ZOCIIQOWSA-N 0 3 357.523 3.336 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001022841943 766032784 /nfs/dbraw/zinc/03/27/84/766032784.db2.gz PWGSLIZTXGLIEQ-ZWUHOBOKSA-N 0 3 354.903 3.120 20 30 FGEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1 ZINC001039147437 766293208 /nfs/dbraw/zinc/29/32/08/766293208.db2.gz WDSZJSFHZQVCHE-OTWHNJEPSA-N 0 3 366.933 3.115 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001040881736 766329151 /nfs/dbraw/zinc/32/91/51/766329151.db2.gz RHHXVMNSNBWUHM-MEAXQBBOSA-N 0 3 366.933 3.425 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001050144817 766822818 /nfs/dbraw/zinc/82/28/18/766822818.db2.gz YNUVEXCWASJBAY-MANSERQUSA-N 0 3 360.523 3.070 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001052775880 766923976 /nfs/dbraw/zinc/92/39/76/766923976.db2.gz YTTVBDMKBHGJJA-JYJNAYRXSA-N 0 3 362.436 3.281 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000069806276 221328341 /nfs/dbraw/zinc/32/83/41/221328341.db2.gz IISBAQOLLRARIJ-OAHLLOKOSA-N 0 3 351.512 3.206 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC2CCN(CCc3ccccc3)CC2)c(F)c1 ZINC000176428280 257364711 /nfs/dbraw/zinc/36/47/11/257364711.db2.gz AYSVTOLNTWLURT-UHFFFAOYSA-N 0 3 369.415 3.273 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)cc1 ZINC000573737469 505607982 /nfs/dbraw/zinc/60/79/82/505607982.db2.gz QJSPMYXNSPDIBP-VAMGGRTRSA-N 0 3 373.460 3.175 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)N2CCC(C)(C#N)CC2)CCC1 ZINC000577062156 505655158 /nfs/dbraw/zinc/65/51/58/505655158.db2.gz UWWGJGBUTXKVCH-UHFFFAOYSA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1ccccc1Oc1ccccc1CNC[C@@H](O)CN(C)CCC#N ZINC000577172343 505679634 /nfs/dbraw/zinc/67/96/34/505679634.db2.gz QHGVNZKLXUQPKG-LJQANCHMSA-N 0 3 353.466 3.083 20 30 FGEDHN COC(=O)c1ccc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)c(C#N)n1 ZINC000580096162 505676086 /nfs/dbraw/zinc/67/60/86/505676086.db2.gz VVTPHLXLIQFTEW-KRWDZBQOSA-N 0 3 358.829 3.108 20 30 FGEDHN CC[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1C ZINC000574032703 505677277 /nfs/dbraw/zinc/67/72/77/505677277.db2.gz PYFBSRKUWYYQFK-SFHVURJKSA-N 0 3 372.490 3.088 20 30 FGEDHN Cc1cc(N2CCC(N(C)Cc3cc(C#N)ccc3F)CC2)nc(C)n1 ZINC000080982607 493807872 /nfs/dbraw/zinc/80/78/72/493807872.db2.gz GDOYYEDIHYJELW-UHFFFAOYSA-N 0 3 353.445 3.205 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000029754970 493856210 /nfs/dbraw/zinc/85/62/10/493856210.db2.gz DXLLDOUWMHOBCS-XLIONFOSSA-N 0 3 363.461 3.279 20 30 FGEDHN CN(C)Cc1cccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 ZINC000081345521 493875889 /nfs/dbraw/zinc/87/58/89/493875889.db2.gz XLQYWCZNNFCXJS-UHFFFAOYSA-N 0 3 365.433 3.080 20 30 FGEDHN CC(=O)CCc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532865 493895789 /nfs/dbraw/zinc/89/57/89/493895789.db2.gz AKKPGKUAACCRDD-UTKZUKDTSA-N 0 3 366.461 3.170 20 30 FGEDHN Cc1nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000076479665 493902068 /nfs/dbraw/zinc/90/20/68/493902068.db2.gz KALXPTNYRVOBPD-HRAATJIYSA-N 0 3 362.477 3.244 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000081493737 493904091 /nfs/dbraw/zinc/90/40/91/493904091.db2.gz YWTXTCRWIGAHFF-LJQANCHMSA-N 0 3 359.514 3.212 20 30 FGEDHN CN1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C2(CCCCC2)C1 ZINC000081598370 493926628 /nfs/dbraw/zinc/92/66/28/493926628.db2.gz DGKPRMAOLZDZIG-UHFFFAOYSA-N 0 3 360.889 3.100 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(-n2cccn2)nc1)C(C)C ZINC000061426678 493978204 /nfs/dbraw/zinc/97/82/04/493978204.db2.gz JKBGIFJAUWZSCX-GOSISDBHSA-N 0 3 368.485 3.087 20 30 FGEDHN N#Cc1nnc2ccccc2c1NCC1(N2CCSCC2)CCCC1 ZINC000077189538 494029970 /nfs/dbraw/zinc/02/99/70/494029970.db2.gz GENFJJYXCXJUAQ-UHFFFAOYSA-N 0 3 353.495 3.275 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000571277240 505696130 /nfs/dbraw/zinc/69/61/30/505696130.db2.gz CKYXOSABAOGOJG-SLFFLAALSA-N 0 3 371.452 3.448 20 30 FGEDHN N#Cc1csc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 ZINC000084086272 494047205 /nfs/dbraw/zinc/04/72/05/494047205.db2.gz GYJJGBVJBGNFHG-UHFFFAOYSA-N 0 3 366.490 3.404 20 30 FGEDHN C=CCOc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1OC ZINC000053223350 494106990 /nfs/dbraw/zinc/10/69/90/494106990.db2.gz ATEIZLYLYYKNIP-UHFFFAOYSA-N 0 3 360.498 3.452 20 30 FGEDHN Cc1csc(C(C#N)C(=O)c2ccc(CNC(=O)NC(C)C)cc2)n1 ZINC000041518720 494166356 /nfs/dbraw/zinc/16/63/56/494166356.db2.gz VFYZUMQMBXCLBI-HNNXBMFYSA-N 0 3 356.451 3.149 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000568478915 505704469 /nfs/dbraw/zinc/70/44/69/505704469.db2.gz BLMKUNJCFXSODH-AQNXPRMDSA-N 0 3 357.498 3.165 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340462 494222049 /nfs/dbraw/zinc/22/20/49/494222049.db2.gz BEZMUASPSRIQMU-LAUBAEHRSA-N 0 3 363.461 3.447 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCC1 ZINC000065950170 494261160 /nfs/dbraw/zinc/26/11/60/494261160.db2.gz OLNPIEBFXGAPRA-UHFFFAOYSA-N 0 3 351.454 3.337 20 30 FGEDHN C[C@@H](Cc1cccc(F)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000066022937 494269289 /nfs/dbraw/zinc/26/92/89/494269289.db2.gz YIZCOMJQCIBQBJ-KRWDZBQOSA-N 0 3 367.468 3.466 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C ZINC000043652701 494309556 /nfs/dbraw/zinc/30/95/56/494309556.db2.gz RMOBPJRJAPWBEQ-IBGZPJMESA-N 0 3 358.486 3.465 20 30 FGEDHN C=CCOc1cccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000577360334 505712530 /nfs/dbraw/zinc/71/25/30/505712530.db2.gz UKTJLVXLOMIFLN-GGAORHGYSA-N 0 3 366.505 3.224 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000078533613 494315262 /nfs/dbraw/zinc/31/52/62/494315262.db2.gz YLNRPCUCLQIMCA-UHFFFAOYSA-N 0 3 358.511 3.478 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000078637993 494334828 /nfs/dbraw/zinc/33/48/28/494334828.db2.gz OCWUDKCDADYTLR-SFHVURJKSA-N 0 3 367.449 3.334 20 30 FGEDHN C[C@H]1CCC[C@@H](OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000078672893 494341231 /nfs/dbraw/zinc/34/12/31/494341231.db2.gz OLVADBXVPXTOBQ-FXAWDEMLSA-N 0 3 357.498 3.044 20 30 FGEDHN C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)c1cccc(C#N)c1 ZINC000073725145 494418812 /nfs/dbraw/zinc/41/88/12/494418812.db2.gz HXJQZOBNJCJGHW-INIZCTEOSA-N 0 3 372.538 3.280 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812989 494466322 /nfs/dbraw/zinc/46/63/22/494466322.db2.gz DQPPKZODMMRRRM-CVEARBPZSA-N 0 3 357.498 3.499 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000079556018 494480717 /nfs/dbraw/zinc/48/07/17/494480717.db2.gz YYEKOYNBRKTHNF-YLJYHZDGSA-N 0 3 363.461 3.106 20 30 FGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCN(Cc2ccccc2)CC1 ZINC000022808446 494536590 /nfs/dbraw/zinc/53/65/90/494536590.db2.gz ULTOXVUQOIKAOK-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233281 494568500 /nfs/dbraw/zinc/56/85/00/494568500.db2.gz ZSIXZEXOYVEGIC-UHFFFAOYSA-N 0 3 363.465 3.011 20 30 FGEDHN COc1ccc([C@@H](NC[C@@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000023677623 494574691 /nfs/dbraw/zinc/57/46/91/494574691.db2.gz XZDPHUMUVOENGC-NQIIRXRSSA-N 0 3 354.450 3.293 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023738109 494578147 /nfs/dbraw/zinc/57/81/47/494578147.db2.gz LKMUEUQDBIXMJC-DYESRHJHSA-N 0 3 363.461 3.279 20 30 FGEDHN C=CCCC[C@@H](C)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000091513926 494612535 /nfs/dbraw/zinc/61/25/35/494612535.db2.gz XEZZWPARTWQCSS-OAHLLOKOSA-N 0 3 354.491 3.313 20 30 FGEDHN C=CCCC[C@H](C)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000091576915 494618211 /nfs/dbraw/zinc/61/82/11/494618211.db2.gz KAZQATVEVFDWDV-ZDUSSCGKSA-N 0 3 356.454 3.020 20 30 FGEDHN CC(C)COc1ccc(C(C)(C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000107899725 494621145 /nfs/dbraw/zinc/62/11/45/494621145.db2.gz DRDUYZKWCSTBCL-NRFANRHFSA-N 0 3 357.498 3.355 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](N2CCCCC2)C1 ZINC000108378008 494693204 /nfs/dbraw/zinc/69/32/04/494693204.db2.gz AOHJJYDNFQQIHA-KRWDZBQOSA-N 0 3 360.889 3.100 20 30 FGEDHN C[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@H]1C ZINC000092035062 494762594 /nfs/dbraw/zinc/76/25/94/494762594.db2.gz MLVXPYSBICKBAC-LSDAYFDZSA-N 0 3 370.497 3.021 20 30 FGEDHN CN(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000047776605 494773321 /nfs/dbraw/zinc/77/33/21/494773321.db2.gz QJXANMWZEHLITA-FQEVSTJZSA-N 0 3 367.518 3.081 20 30 FGEDHN CCC[N-]C(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C)cc1 ZINC000027318759 494861557 /nfs/dbraw/zinc/86/15/57/494861557.db2.gz DOTDHMMZXMAODK-UHFFFAOYSA-O 0 3 372.514 3.368 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(Cc1ccccc1)[C@@H](C)CCO ZINC000093311065 494865020 /nfs/dbraw/zinc/86/50/20/494865020.db2.gz SBDMBISEZPPQHR-KRWDZBQOSA-N 0 3 354.450 3.219 20 30 FGEDHN C=CC[C@@H](C)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000116907809 494869434 /nfs/dbraw/zinc/86/94/34/494869434.db2.gz ISZADNWUZHDWFU-QRWLVFNGSA-N 0 3 352.434 3.327 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534221 494898906 /nfs/dbraw/zinc/89/89/06/494898906.db2.gz QTSCUYHWXUKSJS-INIZCTEOSA-N 0 3 354.410 3.241 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000127528687 494957909 /nfs/dbraw/zinc/95/79/09/494957909.db2.gz CUAODGBNHKPTES-TZMCWYRMSA-N 0 3 358.511 3.107 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(C(=O)N3CCCC3)CC2)ccc1OC ZINC000122521312 494987676 /nfs/dbraw/zinc/98/76/76/494987676.db2.gz LACSFNGCCATCMF-UHFFFAOYSA-N 0 3 372.509 3.485 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000133469643 495017208 /nfs/dbraw/zinc/01/72/08/495017208.db2.gz SEJLLGNKVHRLPN-UXHICEINSA-N 0 3 354.475 3.258 20 30 FGEDHN C[C@H](COc1ccccc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000122870540 495043845 /nfs/dbraw/zinc/04/38/45/495043845.db2.gz BXFYWEMBHOAPOV-GOSISDBHSA-N 0 3 365.477 3.164 20 30 FGEDHN N#CCCn1ccc(NC(=O)NCc2ccccc2CN2CCCCC2)n1 ZINC000118893883 495053722 /nfs/dbraw/zinc/05/37/22/495053722.db2.gz RYCRTRSTGUKTKM-UHFFFAOYSA-N 0 3 366.469 3.104 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000133947686 495085326 /nfs/dbraw/zinc/08/53/26/495085326.db2.gz WVJSUBBFOGTCRL-VQTJNVASSA-N 0 3 354.475 3.258 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)[N-]C[C@@H]2CCCCO2)cc1 ZINC000134203187 495120721 /nfs/dbraw/zinc/12/07/21/495120721.db2.gz QSLDANNPFVTZOV-SFHVURJKSA-O 0 3 369.510 3.380 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H]1CCCOC1)C(C)C ZINC000574396213 505763739 /nfs/dbraw/zinc/76/37/39/505763739.db2.gz ULSDICLKBCWFNJ-XUVXKRRUSA-N 0 3 363.546 3.286 20 30 FGEDHN COc1cc(C#N)cc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000571573022 505764604 /nfs/dbraw/zinc/76/46/04/505764604.db2.gz MSLZQOCLOQXVAN-OAQYLSRUSA-N 0 3 352.434 3.237 20 30 FGEDHN C=CCC(CC=C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000128978021 495176947 /nfs/dbraw/zinc/17/69/47/495176947.db2.gz JLESXVLYQFTJCH-SFHVURJKSA-N 0 3 355.482 3.091 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1C ZINC000123770376 495183420 /nfs/dbraw/zinc/18/34/20/495183420.db2.gz FYMUOVKFRKDPEK-WBVHZDCISA-N 0 3 367.449 3.285 20 30 FGEDHN C#CCOc1ccc(CNc2ccccc2CN2CCC(O)CC2)cc1 ZINC000119603260 495199569 /nfs/dbraw/zinc/19/95/69/495199569.db2.gz PCHNWLUVWZUZQM-UHFFFAOYSA-N 0 3 350.462 3.267 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000113174176 495279860 /nfs/dbraw/zinc/27/98/60/495279860.db2.gz AFUJXSKQGNUGBC-UHFFFAOYSA-N 0 3 357.429 3.180 20 30 FGEDHN C#CCCCCC(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000120180093 495322879 /nfs/dbraw/zinc/32/28/79/495322879.db2.gz HYPSPCBTYYZXAN-UHFFFAOYSA-N 0 3 356.470 3.034 20 30 FGEDHN COc1cccc(OCCN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000130413777 495388470 /nfs/dbraw/zinc/38/84/70/495388470.db2.gz CTKBRUWGSLWPAJ-UHFFFAOYSA-N 0 3 365.477 3.154 20 30 FGEDHN CC(C)c1nnc(CON=C(N)c2cccc(CN3CCCCC3)c2)o1 ZINC000136641543 495392092 /nfs/dbraw/zinc/39/20/92/495392092.db2.gz CXGSRTIXHTYHLJ-UHFFFAOYSA-N 0 3 357.458 3.016 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000106035047 495405649 /nfs/dbraw/zinc/40/56/49/495405649.db2.gz DLNCVVHYSYUHNB-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)COc2ccccc2C(F)(F)F)CC1 ZINC000106036543 495405750 /nfs/dbraw/zinc/40/57/50/495405750.db2.gz LKHZSPUZLYJHRY-UHFFFAOYSA-N 0 3 356.388 3.241 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-n3ccnc3SC)cc2)CC1 ZINC000106036103 495405899 /nfs/dbraw/zinc/40/58/99/495405899.db2.gz LQALBKAYPLKDJM-UHFFFAOYSA-N 0 3 370.522 3.365 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000106034537 495406334 /nfs/dbraw/zinc/40/63/34/495406334.db2.gz AGVFRYPAMPWVTD-UHFFFAOYSA-N 0 3 356.514 3.088 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000106040815 495406791 /nfs/dbraw/zinc/40/67/91/495406791.db2.gz CQCNFQBDHUNVTK-FQEVSTJZSA-N 0 3 358.482 3.015 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000106040819 495406992 /nfs/dbraw/zinc/40/69/92/495406992.db2.gz CQCNFQBDHUNVTK-HXUWFJFHSA-N 0 3 358.482 3.015 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000106275832 495442036 /nfs/dbraw/zinc/44/20/36/495442036.db2.gz PFSRMDXBRHLBBT-UHFFFAOYSA-N 0 3 370.291 3.224 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2OC)C2CC2)CC1 ZINC000106340990 495446533 /nfs/dbraw/zinc/44/65/33/495446533.db2.gz URKSSQLLSIYQMU-UHFFFAOYSA-N 0 3 357.498 3.410 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000106349454 495447466 /nfs/dbraw/zinc/44/74/66/495447466.db2.gz ISHOCQVIBUNAJY-UHFFFAOYSA-N 0 3 357.498 3.214 20 30 FGEDHN N#CC1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CCOCC1 ZINC000115178792 495470732 /nfs/dbraw/zinc/47/07/32/495470732.db2.gz IISOPTDNGDYWJR-UHFFFAOYSA-N 0 3 352.438 3.294 20 30 FGEDHN C=CCn1c(SCCN(CC)CC)nnc1[C@@H]1COc2ccccc2O1 ZINC000131170554 495501472 /nfs/dbraw/zinc/50/14/72/495501472.db2.gz VHPZDJDSLYZJGP-KRWDZBQOSA-N 0 3 374.510 3.411 20 30 FGEDHN C[C@H](O)[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000106864899 495502754 /nfs/dbraw/zinc/50/27/54/495502754.db2.gz HYLFGMQEUSTJQY-BBRMVZONSA-N 0 3 361.511 3.062 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000107525267 495528460 /nfs/dbraw/zinc/52/84/60/495528460.db2.gz RUJZZBCDWHNQEN-LJQANCHMSA-N 0 3 357.523 3.268 20 30 FGEDHN Cc1cc(C)c(C#N)c(SC[C@@H](O)CN2CCc3ccccc3C2)n1 ZINC000145313286 495555153 /nfs/dbraw/zinc/55/51/53/495555153.db2.gz CKUYVSBIFOJIHX-SFHVURJKSA-N 0 3 353.491 3.081 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2-c2nncn2C(C)C)CC1 ZINC000176308584 495591457 /nfs/dbraw/zinc/59/14/57/495591457.db2.gz SBXCXRVLGWJBBG-UHFFFAOYSA-N 0 3 368.485 3.298 20 30 FGEDHN CN(C)Cc1ccc(C(=O)NCCSCc2ccccc2C#N)cc1 ZINC000170824525 495615409 /nfs/dbraw/zinc/61/54/09/495615409.db2.gz ZPHXBLVZDMRDQA-UHFFFAOYSA-N 0 3 353.491 3.283 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000176394455 495635664 /nfs/dbraw/zinc/63/56/64/495635664.db2.gz HBJVDEYNWQKCAU-CALCHBBNSA-N 0 3 370.497 3.301 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000182622782 495640743 /nfs/dbraw/zinc/64/07/43/495640743.db2.gz KDCFNANQQRVRRJ-GOSISDBHSA-N 0 3 359.518 3.304 20 30 FGEDHN C=C(C)COc1cc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)ccc1OC ZINC000574532796 505794862 /nfs/dbraw/zinc/79/48/62/505794862.db2.gz RXAGAOSQSQGYOH-FQEVSTJZSA-N 0 3 372.509 3.387 20 30 FGEDHN N#Cc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000170935089 495658261 /nfs/dbraw/zinc/65/82/61/495658261.db2.gz DEIXWSGSWWWOFY-HXUWFJFHSA-N 0 3 366.440 3.334 20 30 FGEDHN C=C(C)COc1cc(CN2CCN(CC3CCOCC3)CC2)ccc1OC ZINC000179628629 495666993 /nfs/dbraw/zinc/66/69/93/495666993.db2.gz WIVSHHZNCPUOTL-UHFFFAOYSA-N 0 3 374.525 3.194 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](OC)c2cccc(Cl)c2)CC1 ZINC000176498398 495673462 /nfs/dbraw/zinc/67/34/62/495673462.db2.gz YVEWTDOKKMWKLA-GOSISDBHSA-N 0 3 365.905 3.367 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(OC)nc3ccccc23)CC1 ZINC000176498703 495674076 /nfs/dbraw/zinc/67/40/76/495674076.db2.gz KDLKDAUNQMZXKI-UHFFFAOYSA-N 0 3 368.481 3.083 20 30 FGEDHN N#CC1(c2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)CC1 ZINC000182889402 495744769 /nfs/dbraw/zinc/74/47/69/495744769.db2.gz FRYHAFDLHIRJFE-UHFFFAOYSA-N 0 3 359.473 3.420 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@H](Cc1ccccc1)c1ccccc1F ZINC000179812991 495745329 /nfs/dbraw/zinc/74/53/29/495745329.db2.gz OLGZUKXXHBDFJB-HXUWFJFHSA-N 0 3 353.441 3.461 20 30 FGEDHN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c(OCCN(C)C)c1 ZINC000151321341 495804192 /nfs/dbraw/zinc/80/41/92/495804192.db2.gz NZDXJNAJSCWAPZ-MRXNPFEDSA-N 0 3 367.449 3.213 20 30 FGEDHN C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCC(C)CC1 ZINC000171321029 495820524 /nfs/dbraw/zinc/82/05/24/495820524.db2.gz SMSYKSDXZHWLEJ-QGZVFWFLSA-N 0 3 354.498 3.353 20 30 FGEDHN CC[C@@H]1Oc2cc([C@@H](C)NCCOc3ccc(C#N)cc3)ccc2NC1=O ZINC000180019464 495825420 /nfs/dbraw/zinc/82/54/20/495825420.db2.gz FPEAZFQBRNKZPZ-KUHUBIRLSA-N 0 3 365.433 3.397 20 30 FGEDHN N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176950918 495853954 /nfs/dbraw/zinc/85/39/54/495853954.db2.gz GTTCNMRIJQSJPU-ZDUSSCGKSA-N 0 3 374.847 3.057 20 30 FGEDHN COC(=O)c1ccc(N2CCN(C(C)(C)CC(C)(C)C)CC2)c(C#N)n1 ZINC000580659010 505807985 /nfs/dbraw/zinc/80/79/85/505807985.db2.gz MGNIXKCVEWMFFO-UHFFFAOYSA-N 0 3 358.486 3.077 20 30 FGEDHN N#Cc1ccc(CNC[C@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000176964389 495860880 /nfs/dbraw/zinc/86/08/80/495860880.db2.gz MQVWOEUCYHQLMT-GOSISDBHSA-N 0 3 361.898 3.436 20 30 FGEDHN C=C(C)COCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000151532399 495869158 /nfs/dbraw/zinc/86/91/58/495869158.db2.gz YENMGMXKALIVCW-QUCCMNQESA-N 0 3 359.514 3.274 20 30 FGEDHN C=CCCOCCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186185791 495889889 /nfs/dbraw/zinc/88/98/89/495889889.db2.gz UFJMCWCBWKYWAF-RTBURBONSA-N 0 3 351.512 3.262 20 30 FGEDHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000174374575 495932065 /nfs/dbraw/zinc/93/20/65/495932065.db2.gz GPFPWHQOVBOBRM-IRXDYDNUSA-N 0 3 365.481 3.254 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000171610765 495946502 /nfs/dbraw/zinc/94/65/02/495946502.db2.gz QEOITQZGCMGNAV-UHFFFAOYSA-N 0 3 374.444 3.302 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000177149640 495949088 /nfs/dbraw/zinc/94/90/88/495949088.db2.gz DUWKDJGICRWJGL-HXUWFJFHSA-N 0 3 363.461 3.220 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC000171640207 495960465 /nfs/dbraw/zinc/96/04/65/495960465.db2.gz HHWJLWIBULICJT-UHFFFAOYSA-N 0 3 359.861 3.298 20 30 FGEDHN C=C[C@H](CC(=O)NCc1ccccc1CN1CC[C@H](O)C1)c1ccccc1 ZINC000183412435 495971326 /nfs/dbraw/zinc/97/13/26/495971326.db2.gz LYZKEHHOLWPRLU-GCJKJVERSA-N 0 3 364.489 3.229 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000171711189 496000978 /nfs/dbraw/zinc/00/09/78/496000978.db2.gz ICYIDGNWYKRATI-SFHVURJKSA-N 0 3 364.559 3.081 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC2(c3ccccc3OC)CCCC2)CC1 ZINC000171722418 496006787 /nfs/dbraw/zinc/00/67/87/496006787.db2.gz WFPUXSOMNBWVAD-UHFFFAOYSA-N 0 3 371.525 3.457 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171739730 496015198 /nfs/dbraw/zinc/01/51/98/496015198.db2.gz FQJNUACFEONJFS-CALCHBBNSA-N 0 3 372.513 3.072 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)n(-c3ccccc3Cl)n2)CC1 ZINC000180522415 496031066 /nfs/dbraw/zinc/03/10/66/496031066.db2.gz RJRWHUGMEGQUMD-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3nnc(CC)o3)cc2)CC1 ZINC000177483232 496079942 /nfs/dbraw/zinc/07/99/42/496079942.db2.gz XWENJAZGWBLPGS-UHFFFAOYSA-N 0 3 369.469 3.461 20 30 FGEDHN Cc1nnc(-c2cccc(C(=O)C(C#N)c3nc4ccccc4n3C)c2)o1 ZINC000161169375 496119157 /nfs/dbraw/zinc/11/91/57/496119157.db2.gz NETFERXRXAEGHM-OAHLLOKOSA-N 0 3 357.373 3.422 20 30 FGEDHN CC(C)Sc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180869531 496179213 /nfs/dbraw/zinc/17/92/13/496179213.db2.gz DOWWVICQBKBFNT-ORIGZDJFSA-N 0 3 359.495 3.364 20 30 FGEDHN CC(C)CCOc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180871283 496180115 /nfs/dbraw/zinc/18/01/15/496180115.db2.gz WIPJNWZAJRTCOB-JHBCHSCWSA-N 0 3 371.481 3.289 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C#N)c[nH]1 ZINC000177777650 496190964 /nfs/dbraw/zinc/19/09/64/496190964.db2.gz CTOHLISQWIVYKR-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000180950653 496215536 /nfs/dbraw/zinc/21/55/36/496215536.db2.gz ZVWIKSXLWZDLEN-SFHVURJKSA-N 0 3 367.474 3.040 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](CCO)C(C)C)c1C#N ZINC000162043677 496285578 /nfs/dbraw/zinc/28/55/78/496285578.db2.gz VZCOHPHOUZEJDF-LJQANCHMSA-N 0 3 374.529 3.417 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000187115881 496300682 /nfs/dbraw/zinc/30/06/82/496300682.db2.gz AEPVOIMVWGGDSC-RXVVDRJESA-N 0 3 372.509 3.320 20 30 FGEDHN CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)n[nH]1 ZINC000152967467 496310828 /nfs/dbraw/zinc/31/08/28/496310828.db2.gz PQQXPCYEGAUOLV-OAHLLOKOSA-N 0 3 370.416 3.411 20 30 FGEDHN CCc1nc(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)n[nH]1 ZINC000152967467 496310832 /nfs/dbraw/zinc/31/08/32/496310832.db2.gz PQQXPCYEGAUOLV-OAHLLOKOSA-N 0 3 370.416 3.411 20 30 FGEDHN Cc1c(I)cccc1C(=O)C(C#N)c1ccccn1 ZINC000162376576 496345530 /nfs/dbraw/zinc/34/55/30/496345530.db2.gz AEYGCGWFZXDKHA-GFCCVEGCSA-N 0 3 362.170 3.485 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)CC1 ZINC000153232187 496392026 /nfs/dbraw/zinc/39/20/26/496392026.db2.gz CLJUEZGZPGMFOE-UHFFFAOYSA-N 0 3 361.873 3.362 20 30 FGEDHN C=CCC[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000178453557 496461943 /nfs/dbraw/zinc/46/19/43/496461943.db2.gz DCPSJYNTSDUVCF-OAQYLSRUSA-N 0 3 371.525 3.448 20 30 FGEDHN N#Cc1cc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)ccc1F ZINC000163125613 496469175 /nfs/dbraw/zinc/46/91/75/496469175.db2.gz DRLCTWKYEIMGND-UHFFFAOYSA-N 0 3 367.424 3.154 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178572522 496503265 /nfs/dbraw/zinc/50/32/65/496503265.db2.gz QVLRACNTJUPBDT-HZPDHXFCSA-N 0 3 370.497 3.220 20 30 FGEDHN CN(C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC000157896188 496579840 /nfs/dbraw/zinc/57/98/40/496579840.db2.gz GTTLIDJDHQVTOU-LJQANCHMSA-N 0 3 365.477 3.005 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(-n2cccn2)c1 ZINC000173208551 496594098 /nfs/dbraw/zinc/59/40/98/496594098.db2.gz QUGLRAQKNCAFBD-SJORKVTESA-N 0 3 365.481 3.254 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Cl)c1 ZINC000181927275 496602480 /nfs/dbraw/zinc/60/24/80/496602480.db2.gz HREHEUBCHWLMGB-UHFFFAOYSA-N 0 3 357.845 3.202 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000187965159 496633789 /nfs/dbraw/zinc/63/37/89/496633789.db2.gz YIWSEFJEXZLAAN-WIYYLYMNSA-N 0 3 374.525 3.231 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000188056467 496664881 /nfs/dbraw/zinc/66/48/81/496664881.db2.gz JMSFUNZQUIFUGA-AEFFLSMTSA-N 0 3 371.525 3.418 20 30 FGEDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191469903 496774011 /nfs/dbraw/zinc/77/40/11/496774011.db2.gz QBLCDXHPJVCONE-UHFFFAOYSA-N 0 3 373.888 3.321 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(NC(C)=O)c1C)C(C)C ZINC000188392197 496774521 /nfs/dbraw/zinc/77/45/21/496774521.db2.gz DHVKLXAAJUVGBM-FQEVSTJZSA-N 0 3 357.498 3.382 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2cn(C)c3cc(Cl)ccc23)CC1 ZINC000188570198 496835464 /nfs/dbraw/zinc/83/54/64/496835464.db2.gz ACFYPUULPWZPTK-UHFFFAOYSA-N 0 3 374.916 3.324 20 30 FGEDHN COC(=O)C1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000188685617 496876142 /nfs/dbraw/zinc/87/61/42/496876142.db2.gz RUDYWUKCSHPZNU-UHFFFAOYSA-N 0 3 350.418 3.180 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000572025278 505872496 /nfs/dbraw/zinc/87/24/96/505872496.db2.gz XRIOMZLNAIEECR-HNAYVOBHSA-N 0 3 374.529 3.462 20 30 FGEDHN CCc1nnc(C2CCN(Cc3cc(C#N)ccc3Br)CC2)[nH]1 ZINC000191896476 496924215 /nfs/dbraw/zinc/92/42/15/496924215.db2.gz SJVSXWMXINUULY-UHFFFAOYSA-N 0 3 374.286 3.381 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264562082 496930004 /nfs/dbraw/zinc/93/00/04/496930004.db2.gz FURHOUDOIKDVDA-XLIONFOSSA-N 0 3 372.488 3.021 20 30 FGEDHN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H](N)CCCC#N)cn2)c1 ZINC000574881178 505874998 /nfs/dbraw/zinc/87/49/98/505874998.db2.gz QTBGATCZDBSUNA-KRWDZBQOSA-N 0 3 352.438 3.128 20 30 FGEDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC000274141480 497026188 /nfs/dbraw/zinc/02/61/88/497026188.db2.gz GYSIZNACJONISC-OAQYLSRUSA-N 0 3 371.481 3.422 20 30 FGEDHN Cc1cc(C)c(C#N)c(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000192226545 497041393 /nfs/dbraw/zinc/04/13/93/497041393.db2.gz DFWLNHGTNODTDS-IBGZPJMESA-N 0 3 350.466 3.273 20 30 FGEDHN CN1CCN(C[C@H](N[C@H]2CCc3ccc(C#N)cc32)c2ccccc2)CC1 ZINC000580982229 505882526 /nfs/dbraw/zinc/88/25/26/505882526.db2.gz SKKAUBMLJWALDC-GOTSBHOMSA-N 0 3 360.505 3.124 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000248746091 497096445 /nfs/dbraw/zinc/09/64/45/497096445.db2.gz FMEGTMPJVMWTGE-JKIFEVAISA-N 0 3 363.408 3.455 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2=CCCCC2)cc1 ZINC000278576898 497156764 /nfs/dbraw/zinc/15/67/64/497156764.db2.gz JSEYCPKCTRSVBH-CQSZACIVSA-N 0 3 361.467 3.384 20 30 FGEDHN Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c(OC(C)C)c1 ZINC000581006678 505888827 /nfs/dbraw/zinc/88/88/27/505888827.db2.gz LABZIGVDUZRNOI-LJQANCHMSA-N 0 3 354.450 3.183 20 30 FGEDHN CCN(CC)c1ncc(CNC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000236987064 497176816 /nfs/dbraw/zinc/17/68/16/497176816.db2.gz NFGFWELYFLQFNN-UHFFFAOYSA-N 0 3 370.526 3.015 20 30 FGEDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000192759388 497206317 /nfs/dbraw/zinc/20/63/17/497206317.db2.gz FGJVKJSOBFKQJV-CMKODMSKSA-N 0 3 369.509 3.475 20 30 FGEDHN CC[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)[C@@H](O)C(F)(F)F ZINC000271000068 497243410 /nfs/dbraw/zinc/24/34/10/497243410.db2.gz PSROXKZDAPEECM-CZUORRHYSA-N 0 3 360.376 3.169 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000572147568 505901438 /nfs/dbraw/zinc/90/14/38/505901438.db2.gz RAJDHDPWEJBVGX-AUUYWEPGSA-N 0 3 352.438 3.380 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000572147569 505901594 /nfs/dbraw/zinc/90/15/94/505901594.db2.gz RAJDHDPWEJBVGX-IFXJQAMLSA-N 0 3 352.438 3.380 20 30 FGEDHN CCc1cccc2c1OCC[C@@H]2NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279261026 497385853 /nfs/dbraw/zinc/38/58/53/497385853.db2.gz IDHBXAWCZCSMBZ-QUCCMNQESA-N 0 3 359.429 3.443 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)CC1 ZINC000193740583 497464248 /nfs/dbraw/zinc/46/42/48/497464248.db2.gz QULZJSVZPDYNCI-UHFFFAOYSA-N 0 3 372.513 3.247 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC2(CCN2C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000193752488 497469173 /nfs/dbraw/zinc/46/91/73/497469173.db2.gz BLIIWIZJIQVQMU-GOSISDBHSA-N 0 3 371.481 3.067 20 30 FGEDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N(C)CCC#N)cc1 ZINC000190428355 497476379 /nfs/dbraw/zinc/47/63/79/497476379.db2.gz OESYRTGCDIDVQL-PMACEKPBSA-N 0 3 367.497 3.263 20 30 FGEDHN N#Cc1ccc(NCCCOC2CCN(Cc3ccccc3)CC2)nc1 ZINC000267211594 497502498 /nfs/dbraw/zinc/50/24/98/497502498.db2.gz QUHQVAOOAPVREC-UHFFFAOYSA-N 0 3 350.466 3.436 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN(C)[C@@H](C)c2ccncc2)c(OC)c1 ZINC000245745165 497525511 /nfs/dbraw/zinc/52/55/11/497525511.db2.gz GQIQPZPGTMLOGF-QFBILLFUSA-N 0 3 356.466 3.251 20 30 FGEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000190620215 497548307 /nfs/dbraw/zinc/54/83/07/497548307.db2.gz IIJZGZYRUXNZHO-IERDGZPVSA-N 0 3 362.477 3.076 20 30 FGEDHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000569352190 505914721 /nfs/dbraw/zinc/91/47/21/505914721.db2.gz JLKBCCWLEFJSJX-SIKLNZKXSA-N 0 3 364.445 3.168 20 30 FGEDHN CC(=O)NCc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000272290911 497587976 /nfs/dbraw/zinc/58/79/76/497587976.db2.gz RVZQOKOIROZBJC-UHFFFAOYSA-N 0 3 362.477 3.271 20 30 FGEDHN C=CCOCCCC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000190798220 497607562 /nfs/dbraw/zinc/60/75/62/497607562.db2.gz CMEGXSIUZLTUCG-UHFFFAOYSA-N 0 3 359.514 3.447 20 30 FGEDHN Cc1ccc(OC(F)F)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280057460 497634895 /nfs/dbraw/zinc/63/48/95/497634895.db2.gz MKIAFYRZSMOWCT-MRXNPFEDSA-N 0 3 369.371 3.467 20 30 FGEDHN Cn1cc(CN[C@H]2CCN(c3ccc(Br)cc3)C2)cc1C#N ZINC000190947109 497655816 /nfs/dbraw/zinc/65/58/16/497655816.db2.gz RKKJDCPFAKJVHK-HNNXBMFYSA-N 0 3 359.271 3.028 20 30 FGEDHN C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N1[C@H](C)CC[C@@H]1C ZINC000246306764 497690636 /nfs/dbraw/zinc/69/06/36/497690636.db2.gz ZCMNCCDIQLKHFF-QLFBSQMISA-N 0 3 352.400 3.434 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272844853 497743091 /nfs/dbraw/zinc/74/30/91/497743091.db2.gz NOQPNTZBGZIFCF-LJQANCHMSA-N 0 3 370.884 3.371 20 30 FGEDHN Cc1nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000246638835 497792356 /nfs/dbraw/zinc/79/23/56/497792356.db2.gz GPWNFXLMFQZMAZ-JXFKEZNVSA-N 0 3 362.477 3.387 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246644007 497794070 /nfs/dbraw/zinc/79/40/70/497794070.db2.gz UQLPTWPQKPGDFR-FUHIMQAGSA-N 0 3 363.461 3.105 20 30 FGEDHN Cc1nnc([C@H](C)NC(=O)N2CCN(CC3CCCCC3)CC2)s1 ZINC000329559019 497828956 /nfs/dbraw/zinc/82/89/56/497828956.db2.gz IGTJQYPLNQNVGD-ZDUSSCGKSA-N 0 3 351.520 3.019 20 30 FGEDHN CN1CCC(NC(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000329572542 497833196 /nfs/dbraw/zinc/83/31/96/497833196.db2.gz RBGIHHXPLXYWMC-MRXNPFEDSA-N 0 3 374.533 3.040 20 30 FGEDHN CC(C(=O)N[C@H]1CCCCC12CCCC2)S(=O)(=O)C1CCOCC1 ZINC000329581023 497835223 /nfs/dbraw/zinc/83/52/23/497835223.db2.gz AAZPJAJPURDRHM-ZBFHGGJFSA-N 0 3 357.516 3.428 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000329726193 497880773 /nfs/dbraw/zinc/88/07/73/497880773.db2.gz DSNNSWGYGVFBBY-RBBKRZOGSA-N 0 3 371.525 3.421 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000295996023 497884193 /nfs/dbraw/zinc/88/41/93/497884193.db2.gz PZJIKSQFZQBQGP-GOSISDBHSA-N 0 3 369.513 3.101 20 30 FGEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000329770301 497895870 /nfs/dbraw/zinc/89/58/70/497895870.db2.gz IRGUHFYDOYSBRA-APWZRJJASA-N 0 3 361.486 3.143 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000329795673 497903957 /nfs/dbraw/zinc/90/39/57/497903957.db2.gz WNSWFOYDXVHXMH-FNHZYXHNSA-N 0 3 355.486 3.048 20 30 FGEDHN Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000329802758 497906374 /nfs/dbraw/zinc/90/63/74/497906374.db2.gz KPPFUTWPQCGGPS-SFHVURJKSA-N 0 3 368.481 3.085 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000569486870 505946639 /nfs/dbraw/zinc/94/66/39/505946639.db2.gz NFRZODLIRBVARB-HNNXBMFYSA-N 0 3 363.870 3.315 20 30 FGEDHN COC(=O)C1CCN(CCCNc2cccc(C(F)F)c2C#N)CC1 ZINC000575223407 505945748 /nfs/dbraw/zinc/94/57/48/505945748.db2.gz WMMVXDQVYINZEY-UHFFFAOYSA-N 0 3 351.397 3.183 20 30 FGEDHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000329825878 497915916 /nfs/dbraw/zinc/91/59/16/497915916.db2.gz IMMHMBRXKJUSBK-ZWKOTPCHSA-N 0 3 350.503 3.060 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000284841699 497919162 /nfs/dbraw/zinc/91/91/62/497919162.db2.gz LBIOGFKHOJMSRV-IBGZPJMESA-N 0 3 368.437 3.022 20 30 FGEDHN CN1CCC[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1cccs1 ZINC000329877147 497937640 /nfs/dbraw/zinc/93/76/40/497937640.db2.gz IWBKGCNQIFVBGJ-CXAGYDPISA-N 0 3 360.483 3.115 20 30 FGEDHN Cn1cc(CN2CCOC[C@@H](C3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000292259248 497942597 /nfs/dbraw/zinc/94/25/97/497942597.db2.gz YMGIMEXHSQOUJB-FQEVSTJZSA-N 0 3 350.466 3.207 20 30 FGEDHN CC(C)Oc1ccccc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000581305712 505956892 /nfs/dbraw/zinc/95/68/92/505956892.db2.gz VFYJLQBNBDBOGB-IBGZPJMESA-N 0 3 354.450 3.069 20 30 FGEDHN Cc1ccc(C)c(C(=O)C(C(=S)[N-]C2CCC2)[n+]2cccc(CO)c2)c1 ZINC000292332021 497973945 /nfs/dbraw/zinc/97/39/45/497973945.db2.gz NNOXFWHCMCJKJE-UHFFFAOYSA-O 0 3 369.510 3.164 20 30 FGEDHN Cn1nccc1CCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000330030524 497996496 /nfs/dbraw/zinc/99/64/96/497996496.db2.gz RTLZGVLBCRDBKB-UHFFFAOYSA-N 0 3 362.518 3.123 20 30 FGEDHN CCn1nc(C(=O)NC2CCN(C3CCCC3)CC2)c(=O)c2ccccc21 ZINC000330159609 498044899 /nfs/dbraw/zinc/04/48/99/498044899.db2.gz RBJIUSMJSMSHTF-UHFFFAOYSA-N 0 3 368.481 3.128 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1C ZINC000296444359 498045875 /nfs/dbraw/zinc/04/58/75/498045875.db2.gz WRFQLTBKGJQNJI-IOMROCGXSA-N 0 3 367.493 3.097 20 30 FGEDHN CCN1CCC[C@@H](CN(C)c2c(C#N)cccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000364611529 498049283 /nfs/dbraw/zinc/04/92/83/498049283.db2.gz VZOMXZYTKBTJTR-GHTZIAJQSA-N 0 3 362.481 3.073 20 30 FGEDHN Cc1ccc2ncc(C#N)c(N3CC[C@@H](OCCN4CCCCC4)C3)c2c1 ZINC000330171272 498049236 /nfs/dbraw/zinc/04/92/36/498049236.db2.gz FGFQFDIHRYGOOK-LJQANCHMSA-N 0 3 364.493 3.496 20 30 FGEDHN Cc1cc(C)c(CCNC(=O)Nc2ccn(C3CCN(C)CC3)n2)c(C)c1 ZINC000330208658 498062120 /nfs/dbraw/zinc/06/21/20/498062120.db2.gz GXRJVGNFOSMYRE-UHFFFAOYSA-N 0 3 369.513 3.066 20 30 FGEDHN N#CCc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000572485860 505980603 /nfs/dbraw/zinc/98/06/03/505980603.db2.gz DPHQMRCEZSIYHP-FQEVSTJZSA-N 0 3 365.452 3.420 20 30 FGEDHN COCCN1CCC(NC(=O)Nc2c(F)cc(Cl)c(C)c2F)CC1 ZINC000330515124 498146157 /nfs/dbraw/zinc/14/61/57/498146157.db2.gz DFYGRRPYORIXRC-UHFFFAOYSA-N 0 3 361.820 3.363 20 30 FGEDHN C[C@@H]1CN(CCCCNc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000301544367 498156475 /nfs/dbraw/zinc/15/64/75/498156475.db2.gz DGLAUWYXTUIYTO-BETUJISGSA-N 0 3 356.392 3.273 20 30 FGEDHN C[C@@H]1CN(CCCCNc2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)O1 ZINC000301544368 498156874 /nfs/dbraw/zinc/15/68/74/498156874.db2.gz DGLAUWYXTUIYTO-CHWSQXEVSA-N 0 3 356.392 3.273 20 30 FGEDHN CN1CCC[C@]2(CCN(CC(=O)c3cn(CCC#N)c4ccccc34)C2)C1 ZINC000292850584 498169863 /nfs/dbraw/zinc/16/98/63/498169863.db2.gz BTQFZBLYUGGOKK-QFIPXVFZSA-N 0 3 364.493 3.155 20 30 FGEDHN C=CCOCCN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000292874369 498180028 /nfs/dbraw/zinc/18/00/28/498180028.db2.gz SSRIIVJUEQOFRP-CYBMUJFWSA-N 0 3 354.376 3.130 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)nc1 ZINC000301621610 498193032 /nfs/dbraw/zinc/19/30/32/498193032.db2.gz NJZBSKIBISWJDZ-LPHOPBHVSA-N 0 3 350.466 3.072 20 30 FGEDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1SC ZINC000330914984 498217137 /nfs/dbraw/zinc/21/71/37/498217137.db2.gz TXVGUWTTWBRVQL-WDEREUQCSA-N 0 3 353.444 3.113 20 30 FGEDHN CN1CCC[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301685179 498222868 /nfs/dbraw/zinc/22/28/68/498222868.db2.gz WQIRPOMCPOUIFR-ZFWWWQNUSA-N 0 3 357.439 3.418 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000330983154 498230885 /nfs/dbraw/zinc/23/08/85/498230885.db2.gz KFZVFPJNLDKLRF-BFUOFWGJSA-N 0 3 363.889 3.317 20 30 FGEDHN CSC[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000331208589 498276382 /nfs/dbraw/zinc/27/63/82/498276382.db2.gz ZTHWESXNLFJETB-JKSUJKDBSA-N 0 3 363.527 3.429 20 30 FGEDHN Cn1cc(C=Cc2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccccc2)CC3)cc1C#N ZINC000365058362 498277142 /nfs/dbraw/zinc/27/71/42/498277142.db2.gz JBVZGHMXIXRXPG-BQYQJAHWSA-N 0 3 371.444 3.121 20 30 FGEDHN Cn1cc(C=Cc2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccccc2)CC3)cc1C#N ZINC000365058362 498277148 /nfs/dbraw/zinc/27/71/48/498277148.db2.gz JBVZGHMXIXRXPG-BQYQJAHWSA-N 0 3 371.444 3.121 20 30 FGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000331278248 498292365 /nfs/dbraw/zinc/29/23/65/498292365.db2.gz GSLHCPYLSAVEPV-VOIUYBSRSA-N 0 3 351.516 3.260 20 30 FGEDHN Cc1cc(C)c(Br)c(C(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000331352374 498307136 /nfs/dbraw/zinc/30/71/36/498307136.db2.gz OOYVBZBINOKTMF-AWEZNQCLSA-N 0 3 369.303 3.217 20 30 FGEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000281961073 498334310 /nfs/dbraw/zinc/33/43/10/498334310.db2.gz GDNPBJRQYPGCPH-IAGOWNOFSA-N 0 3 373.250 3.468 20 30 FGEDHN CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000282028401 498363423 /nfs/dbraw/zinc/36/34/23/498363423.db2.gz SVJJYNDCOUOTJL-AFMYVXGZSA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000575949062 506039354 /nfs/dbraw/zinc/03/93/54/506039354.db2.gz QUCBVEIJCHXGJS-LLGFUMIMSA-N 0 3 363.461 3.105 20 30 FGEDHN CN1CCN(C[C@@H]2CCCN(c3ccc(C#N)c(C(F)(F)F)c3)C2)CC1 ZINC000361812444 498434865 /nfs/dbraw/zinc/43/48/65/498434865.db2.gz GDGYARJADSBRGD-HNNXBMFYSA-N 0 3 366.431 3.041 20 30 FGEDHN CC(C)[C@@H](CNc1ccc(Br)cc1C#N)N1CCN(C)CC1 ZINC000302194985 498437688 /nfs/dbraw/zinc/43/76/88/498437688.db2.gz SIGMYYJSSUAZHC-QGZVFWFLSA-N 0 3 365.319 3.005 20 30 FGEDHN CCN1C[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331998786 498528285 /nfs/dbraw/zinc/52/82/85/498528285.db2.gz VSXUIVPWFXJBPK-CABCVRRESA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@H]1CN2CCCC[C@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063119 498547974 /nfs/dbraw/zinc/54/79/74/498547974.db2.gz ZEYPQFDCXPZMME-YOEHRIQHSA-N 0 3 360.889 3.099 20 30 FGEDHN C[C@H]1CN2CCCC[C@@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063117 498548357 /nfs/dbraw/zinc/54/83/57/498548357.db2.gz ZEYPQFDCXPZMME-WMLDXEAASA-N 0 3 360.889 3.099 20 30 FGEDHN C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000286954986 498567130 /nfs/dbraw/zinc/56/71/30/498567130.db2.gz JHWCCWKFGWSEOK-BEFAXECRSA-N 0 3 352.438 3.402 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000581713104 506051058 /nfs/dbraw/zinc/05/10/58/506051058.db2.gz BMIZPLWQHXCQEQ-ZJMJOCHXSA-N 0 3 359.473 3.441 20 30 FGEDHN COc1ccc([C@@H](CCC#N)NC[C@@H]2CCCN2c2cccnn2)cc1 ZINC000365724579 498615172 /nfs/dbraw/zinc/61/51/72/498615172.db2.gz VHUYLBSWSGUMMS-PKOBYXMFSA-N 0 3 351.454 3.089 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000365749131 498625197 /nfs/dbraw/zinc/62/51/97/498625197.db2.gz FNEJZKDANLQOMI-ZWKOTPCHSA-N 0 3 363.436 3.291 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(C)(OCC)CC2)c(OC)c1 ZINC000298235548 498704991 /nfs/dbraw/zinc/70/49/91/498704991.db2.gz IDMUKYNWHPNLTP-SFHVURJKSA-N 0 3 363.498 3.054 20 30 FGEDHN C[C@H](NCCC(=O)Nc1ccccc1C#N)[C@@H]1OCCc2sccc21 ZINC000298479881 498785575 /nfs/dbraw/zinc/78/55/75/498785575.db2.gz SVKIPDWPGOHTCV-DJJJIMSYSA-N 0 3 355.463 3.240 20 30 FGEDHN COc1cc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1C#N ZINC000291139528 498812735 /nfs/dbraw/zinc/81/27/35/498812735.db2.gz XQSSBRQTKVGQLL-OAHLLOKOSA-N 0 3 364.449 3.337 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1nccn1C(F)F)C(C)C ZINC000298649236 498839498 /nfs/dbraw/zinc/83/94/98/498839498.db2.gz CHHCLQQYAFHJAC-OAHLLOKOSA-N 0 3 369.460 3.118 20 30 FGEDHN C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)N(C)C ZINC000298701538 498854493 /nfs/dbraw/zinc/85/44/93/498854493.db2.gz WAMZRYALWZOMBL-INIZCTEOSA-N 0 3 366.465 3.403 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000581967304 506101768 /nfs/dbraw/zinc/10/17/68/506101768.db2.gz MYQAJAIOJPSMAX-LIRRHRJNSA-N 0 3 352.413 3.482 20 30 FGEDHN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000328800973 498942854 /nfs/dbraw/zinc/94/28/54/498942854.db2.gz IVMMDFZIVLDNCJ-WOJBJXKFSA-N 0 3 372.513 3.487 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C2CCOCC2)C1 ZINC000328829578 498952119 /nfs/dbraw/zinc/95/21/19/498952119.db2.gz KFHUSICLTWVPTC-AEFFLSMTSA-N 0 3 373.472 3.209 20 30 FGEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000328863424 498966369 /nfs/dbraw/zinc/96/63/69/498966369.db2.gz MHOMRFHSWFLRJS-NXHRZFHOSA-N 0 3 369.513 3.206 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NC3CC(c4ccccc4F)C3)C2=O)cc1 ZINC000570227308 506119775 /nfs/dbraw/zinc/11/97/75/506119775.db2.gz RFRXMHSSDYWNGP-NGICGMGXSA-N 0 3 363.436 3.334 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(CC#N)cc1 ZINC000579224723 506124011 /nfs/dbraw/zinc/12/40/11/506124011.db2.gz BHZORDDZXSRXPZ-UWJYYQICSA-N 0 3 362.477 3.072 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000366658154 499022226 /nfs/dbraw/zinc/02/22/26/499022226.db2.gz XOZYLSCOGHYETI-SAABIXHNSA-N 0 3 364.411 3.413 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)C1 ZINC000329057117 499027563 /nfs/dbraw/zinc/02/75/63/499027563.db2.gz SWDFGCPMBZSEHG-AYBZRNKSSA-N 0 3 363.477 3.139 20 30 FGEDHN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000329090200 499038289 /nfs/dbraw/zinc/03/82/89/499038289.db2.gz IXEPSEAIGHOXGC-CTNGQTDRSA-N 0 3 357.498 3.399 20 30 FGEDHN C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ncc(Br)cn1 ZINC000329108477 499044517 /nfs/dbraw/zinc/04/45/17/499044517.db2.gz IMHBEOGQKHHWNL-JTQLQIEISA-N 0 3 353.264 3.131 20 30 FGEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329201844 499070731 /nfs/dbraw/zinc/07/07/31/499070731.db2.gz BYWIPIZVYUMMLJ-PLACYPQZSA-N 0 3 371.525 3.190 20 30 FGEDHN COCCN1CC[C@H](NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000329219911 499075499 /nfs/dbraw/zinc/07/54/99/499075499.db2.gz BCALOVQCXSIELG-ROUUACIJSA-N 0 3 374.529 3.170 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)[N-]C2(C)CC2)cc1 ZINC000284380882 499098532 /nfs/dbraw/zinc/09/85/32/499098532.db2.gz MAKVAUKOYBRYRT-UHFFFAOYSA-O 0 3 369.466 3.092 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000329334882 499102030 /nfs/dbraw/zinc/10/20/30/499102030.db2.gz OGNRMWPQFONWFQ-KFKAGJAMSA-N 0 3 370.497 3.177 20 30 FGEDHN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329387013 499112762 /nfs/dbraw/zinc/11/27/62/499112762.db2.gz SRODVZIFMYTLIB-YUSPZLJHSA-N 0 3 373.541 3.245 20 30 FGEDHN CN(c1ccc(Cl)c(C#N)n1)C1CCN(CCc2ccncc2)CC1 ZINC000364149312 499124166 /nfs/dbraw/zinc/12/41/66/499124166.db2.gz RTIGTGUHNLIYHI-UHFFFAOYSA-N 0 3 355.873 3.145 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000370083541 499176731 /nfs/dbraw/zinc/17/67/31/499176731.db2.gz REYLIFJUVJSIJK-JFIYKMOQSA-N 0 3 372.538 3.045 20 30 FGEDHN N#Cc1cc(NC[C@@H]2CCCN(Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000372796881 499176781 /nfs/dbraw/zinc/17/67/81/499176781.db2.gz AVEKRMOYVXUSRU-INIZCTEOSA-N 0 3 351.410 3.186 20 30 FGEDHN N#Cc1ccc2ncc(CN3C[C@@H](c4ccc(Cl)cc4)[C@H](CO)C3)n2c1 ZINC000368216989 499274869 /nfs/dbraw/zinc/27/48/69/499274869.db2.gz VRZNWFGGECHLMS-LPHOPBHVSA-N 0 3 366.852 3.067 20 30 FGEDHN CN(C)Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000368257783 499279059 /nfs/dbraw/zinc/27/90/59/499279059.db2.gz CTHKEMOXFYMYEC-IBGZPJMESA-N 0 3 362.477 3.019 20 30 FGEDHN N#Cc1c(F)ccc(CNC2CCN(Cc3ccccn3)CC2)c1Cl ZINC000368460880 499298175 /nfs/dbraw/zinc/29/81/75/499298175.db2.gz FVAXOWBHFXJGHQ-UHFFFAOYSA-N 0 3 358.848 3.500 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000371443341 499327220 /nfs/dbraw/zinc/32/72/20/499327220.db2.gz PMVKXIKTIKFUIU-LJQANCHMSA-N 0 3 367.493 3.052 20 30 FGEDHN N#Cc1ccc(NC[C@@H]2CCCN(Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000369176813 499374726 /nfs/dbraw/zinc/37/47/26/499374726.db2.gz LMLDWYKZIGIUJI-KRWDZBQOSA-N 0 3 351.410 3.186 20 30 FGEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000369363382 499395719 /nfs/dbraw/zinc/39/57/19/499395719.db2.gz KXXBPTYSEWJDMT-KYJSFNMBSA-N 0 3 350.890 3.430 20 30 FGEDHN C=CCOc1cccc(CN2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 ZINC000369518168 499411784 /nfs/dbraw/zinc/41/17/84/499411784.db2.gz JLWIXXLUXVMULI-QGZVFWFLSA-N 0 3 368.481 3.056 20 30 FGEDHN CO/N=C/c1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000369552289 499416391 /nfs/dbraw/zinc/41/63/91/499416391.db2.gz VGUJAFJOQQXHQG-GBJDKNRMSA-N 0 3 357.479 3.151 20 30 FGEDHN C#CCCN1CCC(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000369589874 499423395 /nfs/dbraw/zinc/42/33/95/499423395.db2.gz ATCCJOHGQUQCDF-UHFFFAOYSA-N 0 3 371.481 3.096 20 30 FGEDHN C#CCCN1CCC(NC(=O)c2ccc(-c3ccsc3)nc2C)CC1 ZINC000369593966 499424142 /nfs/dbraw/zinc/42/41/42/499424142.db2.gz WLROJNCVFANISV-UHFFFAOYSA-N 0 3 353.491 3.336 20 30 FGEDHN CCCC[C@@H](C)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000576387385 506146093 /nfs/dbraw/zinc/14/60/93/506146093.db2.gz FLCFOIHBAOEBSW-XLIONFOSSA-N 0 3 374.504 3.045 20 30 FGEDHN CN1CC[C@H](CNC(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000369788393 499443333 /nfs/dbraw/zinc/44/33/33/499443333.db2.gz DZGSTCDCMYKXTB-KDOFPFPSSA-N 0 3 372.469 3.251 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000373322127 499463273 /nfs/dbraw/zinc/46/32/73/499463273.db2.gz VAJUOXKNXCJOBH-UYAOXDASSA-N 0 3 360.473 3.135 20 30 FGEDHN Cc1cc(C(=O)NC2CCN(CCCC3(C#N)CCOCC3)CC2)c(C)o1 ZINC000375598039 499536400 /nfs/dbraw/zinc/53/64/00/499536400.db2.gz OFHDDRLAJXOSHT-UHFFFAOYSA-N 0 3 373.497 3.191 20 30 FGEDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000375599985 499536626 /nfs/dbraw/zinc/53/66/26/499536626.db2.gz SADAAKWOWLZHCT-ZGIUJUBFSA-N 0 3 354.498 3.233 20 30 FGEDHN Cc1ccccc1C1(O)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000375668528 499543221 /nfs/dbraw/zinc/54/32/21/499543221.db2.gz HQHPFQJMDNNCKY-HXUWFJFHSA-N 0 3 373.456 3.059 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)CNC2(C3CC3)CCOCC2)cc1C ZINC000375704031 499547263 /nfs/dbraw/zinc/54/72/63/499547263.db2.gz ZQNWPOKNKFIBCH-UHFFFAOYSA-N 0 3 355.482 3.099 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404201539 499570217 /nfs/dbraw/zinc/57/02/17/499570217.db2.gz PVTXSYCFYJGELS-GOTSBHOMSA-N 0 3 361.489 3.342 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000377084489 499660362 /nfs/dbraw/zinc/66/03/62/499660362.db2.gz RSFPMLJGQXIWNV-YLJYHZDGSA-N 0 3 353.470 3.032 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000377084488 499660474 /nfs/dbraw/zinc/66/04/74/499660474.db2.gz RSFPMLJGQXIWNV-XLIONFOSSA-N 0 3 353.470 3.032 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000377091673 499661246 /nfs/dbraw/zinc/66/12/46/499661246.db2.gz VSECGEHPOSYPQY-APWZRJJASA-N 0 3 369.428 3.304 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000411364832 499729946 /nfs/dbraw/zinc/72/99/46/499729946.db2.gz AUCBNCHGUDQVNN-FCHUYYIVSA-N 0 3 359.473 3.226 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)C ZINC000411371084 499730530 /nfs/dbraw/zinc/73/05/30/499730530.db2.gz WINZUOYNAXBPDF-PWRODBHTSA-N 0 3 351.494 3.477 20 30 FGEDHN CCCN(CCN1CCCC1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411718133 499782741 /nfs/dbraw/zinc/78/27/41/499782741.db2.gz KJUOFHKYJGJMKT-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN COC1([C@@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)CCC1 ZINC000412021410 499813454 /nfs/dbraw/zinc/81/34/54/499813454.db2.gz MNTOIIUWHMOKLU-HUUCEWRRSA-N 0 3 361.511 3.424 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCCC[C@@H]1O ZINC000412983906 499902447 /nfs/dbraw/zinc/90/24/47/499902447.db2.gz AWBVXJLQKNAKSM-IRXDYDNUSA-N 0 3 364.559 3.136 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC000413245970 499931707 /nfs/dbraw/zinc/93/17/07/499931707.db2.gz SNQDVKRVBJOQRE-FQEVSTJZSA-N 0 3 357.498 3.280 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2CCc3cc(C#N)ccc32)[C@H](C(F)(F)F)C1 ZINC000416019569 499941707 /nfs/dbraw/zinc/94/17/07/499941707.db2.gz YDJWXILBRRECRM-HUUCEWRRSA-N 0 3 365.399 3.356 20 30 FGEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1ncc(C#N)cc1F ZINC000413531840 499982006 /nfs/dbraw/zinc/98/20/06/499982006.db2.gz MGEZHFOQKXQPJD-IEBWSBKVSA-N 0 3 354.429 3.041 20 30 FGEDHN COc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1OCCN(C)C ZINC000416332694 500018536 /nfs/dbraw/zinc/01/85/36/500018536.db2.gz IJNKORMJEGIKJL-FQEVSTJZSA-N 0 3 357.454 3.048 20 30 FGEDHN CN(c1ccccc1CNCc1ccc(C#N)s1)C1CCN(C)CC1 ZINC000421345498 500021810 /nfs/dbraw/zinc/02/18/10/500021810.db2.gz ASQVHOOGTHLWNP-UHFFFAOYSA-N 0 3 354.523 3.440 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000429324768 500053095 /nfs/dbraw/zinc/05/30/95/500053095.db2.gz DJQAALWZTRSFAL-SFHVURJKSA-N 0 3 363.461 3.013 20 30 FGEDHN N#Cc1c2c(cnc1N1C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C1)CCC2 ZINC000425266035 500060197 /nfs/dbraw/zinc/06/01/97/500060197.db2.gz GRONBHKCMMYKHE-VQTJNVASSA-N 0 3 358.489 3.400 20 30 FGEDHN C[C@H](C#N)CN(C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000429496470 500088000 /nfs/dbraw/zinc/08/80/00/500088000.db2.gz YBDOZFBNFBLHRI-VQIMIIECSA-N 0 3 356.514 3.260 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416699543 500090939 /nfs/dbraw/zinc/09/09/39/500090939.db2.gz WXWSRZOZRYCJBK-HXUWFJFHSA-N 0 3 352.482 3.275 20 30 FGEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000425510666 500128202 /nfs/dbraw/zinc/12/82/02/500128202.db2.gz KHKJEXLZJPYWKM-MRXNPFEDSA-N 0 3 374.868 3.485 20 30 FGEDHN COCCc1ccc(OC[C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425529058 500133994 /nfs/dbraw/zinc/13/39/94/500133994.db2.gz ALTODSYPTCSOJQ-UTKZUKDTSA-N 0 3 368.477 3.180 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000425569373 500149417 /nfs/dbraw/zinc/14/94/17/500149417.db2.gz YXTBRJYCXMKQAV-HKBOAZHASA-N 0 3 371.525 3.131 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000425836668 500203460 /nfs/dbraw/zinc/20/34/60/500203460.db2.gz BSACRQPYCZPCRO-FFGOWVMKSA-N 0 3 354.498 3.373 20 30 FGEDHN CN(C)C(=O)COc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418147163 500236941 /nfs/dbraw/zinc/23/69/41/500236941.db2.gz QMYHUEVUUBXCRI-HXUWFJFHSA-N 0 3 363.461 3.192 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2NCCCC2(C)C)cc1 ZINC000423046206 500335251 /nfs/dbraw/zinc/33/52/51/500335251.db2.gz FDDKXCMVOLMSPR-GOSISDBHSA-N 0 3 355.482 3.218 20 30 FGEDHN CN(C)[C@]1(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCSC1 ZINC000431284562 500358580 /nfs/dbraw/zinc/35/85/80/500358580.db2.gz VPIHNJXHAUPMOC-HKUYNNGSSA-N 0 3 360.527 3.158 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C[C@@H](c2ccc(OC)cc2)N2CCCCC2)C1=O ZINC000419918717 500406938 /nfs/dbraw/zinc/40/69/38/500406938.db2.gz DGWQOBFQWQDIJA-OALUTQOASA-N 0 3 371.481 3.109 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000582353128 506194230 /nfs/dbraw/zinc/19/42/30/506194230.db2.gz PUYNNFZYXVCOOI-RHSMWYFYSA-N 0 3 361.511 3.018 20 30 FGEDHN COCCCN1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431960074 500448827 /nfs/dbraw/zinc/44/88/27/500448827.db2.gz ZDLTVGOXNJOGEN-FQEVSTJZSA-N 0 3 372.513 3.222 20 30 FGEDHN CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H](N)CCCC#N ZINC000424083060 500449672 /nfs/dbraw/zinc/44/96/72/500449672.db2.gz CGELDWZNFPGBQB-OAHLLOKOSA-N 0 3 352.276 3.207 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000424095554 500452424 /nfs/dbraw/zinc/45/24/24/500452424.db2.gz XGCVAUAAVZCDHD-MSOLQXFVSA-N 0 3 355.413 3.083 20 30 FGEDHN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424115306 500456463 /nfs/dbraw/zinc/45/64/63/500456463.db2.gz ABFOWSOXNTVEON-SLFFLAALSA-N 0 3 373.497 3.303 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000424146291 500460086 /nfs/dbraw/zinc/46/00/86/500460086.db2.gz WHDCHTGJCYNZDB-PCCBWWKXSA-N 0 3 350.462 3.225 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000424184418 500464541 /nfs/dbraw/zinc/46/45/41/500464541.db2.gz FFUGAKCIZXJORI-OAHLLOKOSA-N 0 3 351.853 3.428 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCN(C2CCCC2)CC1 ZINC000424251319 500475556 /nfs/dbraw/zinc/47/55/56/500475556.db2.gz QICICZLTBRUQSH-KRWDZBQOSA-N 0 3 361.559 3.487 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000420814067 500507805 /nfs/dbraw/zinc/50/78/05/500507805.db2.gz WKTCAFVYLZNINZ-NVXWUHKLSA-N 0 3 368.506 3.472 20 30 FGEDHN CC(C)[C@@H](CNC(=O)c1cscc1C#N)N1CCc2ccccc2C1 ZINC000432404921 500511513 /nfs/dbraw/zinc/51/15/13/500511513.db2.gz VSSJPXYMHYBQAG-LJQANCHMSA-N 0 3 353.491 3.432 20 30 FGEDHN C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432867497 500580563 /nfs/dbraw/zinc/58/05/63/500580563.db2.gz SAMPFFZNAKHSMR-UHFFFAOYSA-N 0 3 362.470 3.264 20 30 FGEDHN Cc1ccccc1CN1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433111768 500628244 /nfs/dbraw/zinc/62/82/44/500628244.db2.gz WTNKMEHRZJSSOV-NRFANRHFSA-N 0 3 361.489 3.412 20 30 FGEDHN COc1cc(CN2CC[C@@H](C)[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000442893242 500642411 /nfs/dbraw/zinc/64/24/11/500642411.db2.gz XBZKCENVMMPFJV-UZLBHIALSA-N 0 3 366.461 3.349 20 30 FGEDHN C=CCN(Cc1ccc(C#N)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000442893305 500642523 /nfs/dbraw/zinc/64/25/23/500642523.db2.gz XTFSFUTZGLZDFM-MRXNPFEDSA-N 0 3 374.448 3.292 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000433375562 500683500 /nfs/dbraw/zinc/68/35/00/500683500.db2.gz XYWAIRRZXQGLPE-KRWDZBQOSA-N 0 3 369.415 3.386 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000437787797 500695739 /nfs/dbraw/zinc/69/57/39/500695739.db2.gz LZWVPYCWFLGIFY-URVUXULASA-N 0 3 371.525 3.322 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000437930537 500718125 /nfs/dbraw/zinc/71/81/25/500718125.db2.gz JHCUBWAXOZGCSX-RBUKOAKNSA-N 0 3 359.514 3.177 20 30 FGEDHN N#Cc1nc(NC[C@@H](c2ccco2)N2CCCC2)ccc1C(F)(F)F ZINC000443406148 500720142 /nfs/dbraw/zinc/72/01/42/500720142.db2.gz DGJOSQHBUTVFGS-AWEZNQCLSA-N 0 3 350.344 3.236 20 30 FGEDHN C=CCOc1ccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)cc1Cl ZINC000438260984 500760410 /nfs/dbraw/zinc/76/04/10/500760410.db2.gz SJSVBRCWMARLRP-HNNXBMFYSA-N 0 3 352.906 3.182 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434503239 500853274 /nfs/dbraw/zinc/85/32/74/500853274.db2.gz NSGGZRLLPDQYOV-IBGZPJMESA-N 0 3 354.425 3.259 20 30 FGEDHN N#C[C@]1(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC12CCCC2 ZINC000448956927 500880149 /nfs/dbraw/zinc/88/01/49/500880149.db2.gz SGHDBARXWICSKD-QFIPXVFZSA-N 0 3 367.493 3.251 20 30 FGEDHN C=C(C)CN(CC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449003607 500893554 /nfs/dbraw/zinc/89/35/54/500893554.db2.gz RREOMFMMJMJFQV-ZDUSSCGKSA-N 0 3 369.303 3.360 20 30 FGEDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000439486479 500904783 /nfs/dbraw/zinc/90/47/83/500904783.db2.gz NXARRPNYESJCLN-OAQYLSRUSA-N 0 3 358.482 3.279 20 30 FGEDHN COCCN(CCC(=O)Nc1cccc(F)c1C)Cc1ccc(C#N)cc1 ZINC000434905836 500911035 /nfs/dbraw/zinc/91/10/35/500911035.db2.gz TWHNQZKKRYOWEX-UHFFFAOYSA-N 0 3 369.440 3.483 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@H]2CN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000439664150 500923948 /nfs/dbraw/zinc/92/39/48/500923948.db2.gz UPNQKQDOOBNEBM-ACRUOGEOSA-N 0 3 363.461 3.151 20 30 FGEDHN C=CC[C@H]1N(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CCCC1(C)C ZINC000445151760 500949577 /nfs/dbraw/zinc/94/95/77/500949577.db2.gz UFVPTQDYEXHDMI-RBUKOAKNSA-N 0 3 364.578 3.036 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)[C@@H](CC)CO)cc1OC ZINC000449377020 500990016 /nfs/dbraw/zinc/99/00/16/500990016.db2.gz RAQPEQJVIXVMBJ-ZDUSSCGKSA-N 0 3 358.276 3.225 20 30 FGEDHN CC(C)(C[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1)C(N)=O ZINC000449408372 500996530 /nfs/dbraw/zinc/99/65/30/500996530.db2.gz JHFHKCOUAPEATA-SFHVURJKSA-N 0 3 357.498 3.483 20 30 FGEDHN C=CCOCC(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000440429309 501007931 /nfs/dbraw/zinc/00/79/31/501007931.db2.gz KOVAOVZVCSLBNR-KRWDZBQOSA-N 0 3 370.415 3.102 20 30 FGEDHN CC(C)(C)OC(=O)CN[C@]1(C)CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000440532088 501020269 /nfs/dbraw/zinc/02/02/69/501020269.db2.gz KLVNELULCNUVGX-JOCHJYFZSA-N 0 3 371.525 3.383 20 30 FGEDHN CCN1CCN(c2ccccc2NCc2ccc(C#N)c(OC)c2)CC1 ZINC000440612201 501028992 /nfs/dbraw/zinc/02/89/92/501028992.db2.gz BKZWWVKTUPQOIT-UHFFFAOYSA-N 0 3 350.466 3.321 20 30 FGEDHN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CCN(Cc2ccccc2)C1 ZINC000449553755 501032474 /nfs/dbraw/zinc/03/24/74/501032474.db2.gz NKIWVBGVFASVIE-SFHVURJKSA-N 0 3 359.477 3.160 20 30 FGEDHN COc1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000449735055 501071129 /nfs/dbraw/zinc/07/11/29/501071129.db2.gz FUCYZSOJTBPJQR-ZDUSSCGKSA-N 0 3 371.412 3.221 20 30 FGEDHN CCn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C)c(C)nc21 ZINC000442027049 501192237 /nfs/dbraw/zinc/19/22/37/501192237.db2.gz HUCSHXBBERHHDG-HNNXBMFYSA-N 0 3 358.405 3.136 20 30 FGEDHN CC[C@@H](CO)N(C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000451160223 501249112 /nfs/dbraw/zinc/24/91/12/501249112.db2.gz UEQAGCPQSUILRW-IBGZPJMESA-N 0 3 354.450 3.349 20 30 FGEDHN Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)ncc1C#N ZINC000457621005 501270313 /nfs/dbraw/zinc/27/03/13/501270313.db2.gz URLBPCSDLZQVKS-HSZRJFAPSA-N 0 3 374.488 3.390 20 30 FGEDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)N(C)C ZINC000451434911 501293123 /nfs/dbraw/zinc/29/31/23/501293123.db2.gz UEVLFRLCUZILIH-INIZCTEOSA-N 0 3 371.934 3.051 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C)C(C)C ZINC000457754691 501301748 /nfs/dbraw/zinc/30/17/48/501301748.db2.gz RQOJTGJDLZRGJL-ROUUACIJSA-N 0 3 373.545 3.211 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(CCC#N)c2ccccc2)C12CCC2 ZINC000451479818 501302362 /nfs/dbraw/zinc/30/23/62/501302362.db2.gz NHYKPFIINVZRLG-BHIYHBOVSA-N 0 3 355.482 3.259 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000457781152 501307646 /nfs/dbraw/zinc/30/76/46/501307646.db2.gz XHFGCHAIXBJMAT-GQGLESIBSA-N 0 3 374.447 3.279 20 30 FGEDHN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000451512937 501309870 /nfs/dbraw/zinc/30/98/70/501309870.db2.gz UZLUOVXQFDTSCJ-VQTJNVASSA-N 0 3 363.461 3.010 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453349435 501318475 /nfs/dbraw/zinc/31/84/75/501318475.db2.gz LGXWJYTUBOIEPA-OAGGEKHMSA-N 0 3 372.918 3.022 20 30 FGEDHN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000453412137 501326272 /nfs/dbraw/zinc/32/62/72/501326272.db2.gz FXZCGTWIXSHQKQ-IRXDYDNUSA-N 0 3 361.534 3.262 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000451607335 501335742 /nfs/dbraw/zinc/33/57/42/501335742.db2.gz PPYSLMKODNIUFJ-RVHYNSKXSA-N 0 3 368.477 3.128 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000451607334 501335946 /nfs/dbraw/zinc/33/59/46/501335946.db2.gz PPYSLMKODNIUFJ-LPTQZCDUSA-N 0 3 368.477 3.128 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000451609859 501335991 /nfs/dbraw/zinc/33/59/91/501335991.db2.gz RFHDREQPYKHHDE-VSKRKVRLSA-N 0 3 362.473 3.094 20 30 FGEDHN C=C(C)Cn1c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453465759 501339711 /nfs/dbraw/zinc/33/97/11/501339711.db2.gz MYXLQWLALZKDKL-BMQTXXJKSA-N 0 3 373.545 3.046 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000451674419 501348609 /nfs/dbraw/zinc/34/86/09/501348609.db2.gz ACAMYGUBHKAXPW-FUHIMQAGSA-N 0 3 356.491 3.277 20 30 FGEDHN C[C@H]1CN(CC(=O)Nc2sccc2C#N)CCN(Cc2ccccc2)C1 ZINC000451713630 501357995 /nfs/dbraw/zinc/35/79/95/501357995.db2.gz UURNGRNVUQNHMU-MRXNPFEDSA-N 0 3 368.506 3.012 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000458232561 501399687 /nfs/dbraw/zinc/39/96/87/501399687.db2.gz SURNKVARYIXWEG-MRXNPFEDSA-N 0 3 367.449 3.213 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(CC#N)c1 ZINC000455914347 501414205 /nfs/dbraw/zinc/41/42/05/501414205.db2.gz GICNYNLIONPMJF-UHFFFAOYSA-N 0 3 354.429 3.487 20 30 FGEDHN COc1cc2c(cc1OC)[C@@H](N1CC[C@H](Oc3ccc(C#N)cn3)C1)CC2 ZINC000602673497 506256773 /nfs/dbraw/zinc/25/67/73/506256773.db2.gz UWKAZEXPYNJSOD-WMZOPIPTSA-N 0 3 365.433 3.111 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000458751204 501522055 /nfs/dbraw/zinc/52/20/55/501522055.db2.gz BXAOGKWRNLNVEW-CXAGYDPISA-N 0 3 358.417 3.219 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(C#N)c(F)c1)N(C)C ZINC000458750694 501522085 /nfs/dbraw/zinc/52/20/85/501522085.db2.gz AIPOOHAHFBRHDR-QRWLVFNGSA-N 0 3 368.456 3.496 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2cc(F)cc(OC)c2)CC1 ZINC000454458169 501550098 /nfs/dbraw/zinc/55/00/98/501550098.db2.gz FXLQVHSGJIOMST-OAHLLOKOSA-N 0 3 363.477 3.105 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N2CCC(F)(C#N)CC2)N(C)C)cc1 ZINC000458912305 501558301 /nfs/dbraw/zinc/55/83/01/501558301.db2.gz ZWJMZTRCUIIRQT-INIZCTEOSA-N 0 3 364.490 3.048 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000459052744 501583897 /nfs/dbraw/zinc/58/38/97/501583897.db2.gz ZHLLKAIDSODQJG-KCLUMXDGSA-N 0 3 371.525 3.415 20 30 FGEDHN Cc1ccc(C[C@H](CO)NC(=O)C(C#N)CCc2ccccc2)cc1C ZINC000457306152 501679063 /nfs/dbraw/zinc/67/90/63/501679063.db2.gz VZIQFIIWSMLFAT-LEWJYISDSA-N 0 3 350.462 3.096 20 30 FGEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000459597045 501684011 /nfs/dbraw/zinc/68/40/11/501684011.db2.gz XZNLHLUTXTYLQQ-SFHVURJKSA-N 0 3 363.483 3.002 20 30 FGEDHN CCOC[C@@H]1CCCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000459674884 501697465 /nfs/dbraw/zinc/69/74/65/501697465.db2.gz LMTGVXUDULQXPM-IBGZPJMESA-N 0 3 353.470 3.250 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000457437726 501698264 /nfs/dbraw/zinc/69/82/64/501698264.db2.gz IQDAGUFGDKIEDY-NHCUHLMSSA-N 0 3 371.525 3.134 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000457477494 501706511 /nfs/dbraw/zinc/70/65/11/501706511.db2.gz LASKTOQICIHUCL-FQEVSTJZSA-N 0 3 368.456 3.362 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C12CCCC2 ZINC000485314134 501785895 /nfs/dbraw/zinc/78/58/95/501785895.db2.gz FDNFSXCWHXUTID-VAMGGRTRSA-N 0 3 367.493 3.381 20 30 FGEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1(C)C ZINC000467429500 501792253 /nfs/dbraw/zinc/79/22/53/501792253.db2.gz LZQLXQBEHKFSNK-YTQUADARSA-N 0 3 357.498 3.342 20 30 FGEDHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470757469 501793067 /nfs/dbraw/zinc/79/30/67/501793067.db2.gz VNCIYUSXYKZWAF-FQEVSTJZSA-N 0 3 369.428 3.085 20 30 FGEDHN COc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1C#N ZINC000470807005 501810522 /nfs/dbraw/zinc/81/05/22/501810522.db2.gz WBDIPKOWPABOQL-IRXDYDNUSA-N 0 3 374.485 3.068 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2cccc(Cl)c2)cc1 ZINC000470839316 501825376 /nfs/dbraw/zinc/82/53/76/501825376.db2.gz FDFMZKVSAJGASH-MRXNPFEDSA-N 0 3 353.809 3.089 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000470923180 501857529 /nfs/dbraw/zinc/85/75/29/501857529.db2.gz ITDVOTFWEIRDIA-NRFANRHFSA-N 0 3 368.477 3.463 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000470972879 501876660 /nfs/dbraw/zinc/87/66/60/501876660.db2.gz BBTBRHCJJOGNLT-PBHICJAKSA-N 0 3 367.836 3.478 20 30 FGEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000470983842 501882754 /nfs/dbraw/zinc/88/27/54/501882754.db2.gz PYGFPQGQWJJWJM-RHSMWYFYSA-N 0 3 367.836 3.478 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2c(F)cccc2OC(F)F)cc1 ZINC000470995876 501886712 /nfs/dbraw/zinc/88/67/12/501886712.db2.gz QALLJLOADVTVDA-AWEZNQCLSA-N 0 3 373.334 3.297 20 30 FGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)N(CC)CC ZINC000460858799 501941319 /nfs/dbraw/zinc/94/13/19/501941319.db2.gz KHERWNCBCKFGEG-CABCVRRESA-N 0 3 352.276 3.250 20 30 FGEDHN CC(C)[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464313897 501951937 /nfs/dbraw/zinc/95/19/37/501951937.db2.gz UVQWMVXZIMJUNA-RDJZCZTQSA-N 0 3 353.388 3.105 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592873663 506284780 /nfs/dbraw/zinc/28/47/80/506284780.db2.gz QEYHJKHMGYVZBB-IBGZPJMESA-N 0 3 350.466 3.320 20 30 FGEDHN COc1cc2c(cc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)OCO2 ZINC000464415102 501983151 /nfs/dbraw/zinc/98/31/51/501983151.db2.gz SCKOIOYYJZTCKB-LLVKDONJSA-N 0 3 364.279 3.328 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCN(c2ccncc2OC)CC1)c1ccccc1 ZINC000478466218 501990868 /nfs/dbraw/zinc/99/08/68/501990868.db2.gz YVKKLGINACAAHN-IBGZPJMESA-N 0 3 365.477 3.489 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@H](C)N2CCCC[C@H]2C)c(OC)c1 ZINC000478563311 502019051 /nfs/dbraw/zinc/01/90/51/502019051.db2.gz JZXZVRZALBRESA-SJORKVTESA-N 0 3 360.498 3.182 20 30 FGEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000461358375 502080756 /nfs/dbraw/zinc/08/07/56/502080756.db2.gz FHUQTHCPCDVVPJ-HXUWFJFHSA-N 0 3 362.477 3.488 20 30 FGEDHN CN(C)CCOCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000471654201 502099719 /nfs/dbraw/zinc/09/97/19/502099719.db2.gz MQUDPLQTFREJOY-UHFFFAOYSA-N 0 3 368.437 3.050 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3ccc(C#N)s3)c(C)c2)CC1 ZINC000486643344 502218366 /nfs/dbraw/zinc/21/83/66/502218366.db2.gz WHIFSYLZDNUCOQ-UHFFFAOYSA-N 0 3 354.479 3.322 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1CCCc1ccccc1 ZINC000486796540 502265154 /nfs/dbraw/zinc/26/51/54/502265154.db2.gz GRNNDHMNHVAEKQ-FQEVSTJZSA-N 0 3 352.482 3.130 20 30 FGEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000479475068 502270011 /nfs/dbraw/zinc/27/00/11/502270011.db2.gz UGGVZPSQHUURCG-KRWDZBQOSA-N 0 3 357.498 3.296 20 30 FGEDHN C[C@@H](CO)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CCC1 ZINC000483148509 502292140 /nfs/dbraw/zinc/29/21/40/502292140.db2.gz WNCJZSMYKIKPSN-HNNXBMFYSA-N 0 3 363.889 3.070 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)c3ccc(C#N)s3)CC2)cc1 ZINC000486901111 502297839 /nfs/dbraw/zinc/29/78/39/502297839.db2.gz UEBJTYLIQYFXIO-UHFFFAOYSA-N 0 3 369.490 3.270 20 30 FGEDHN COC(=O)C1(CNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000486905989 502299145 /nfs/dbraw/zinc/29/91/45/502299145.db2.gz SEAYXURXHMWCQY-UHFFFAOYSA-N 0 3 350.418 3.180 20 30 FGEDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469168496 502322901 /nfs/dbraw/zinc/32/29/01/502322901.db2.gz VLGIPBGVDXTJNN-OAHLLOKOSA-N 0 3 352.438 3.208 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCCCCC#N ZINC000476029510 502362675 /nfs/dbraw/zinc/36/26/75/502362675.db2.gz FUZANZIMQZAHIR-IBGZPJMESA-N 0 3 356.514 3.452 20 30 FGEDHN N#CC(C(=O)c1cnnn1-c1c(Cl)cccc1Cl)c1ccccn1 ZINC000483453624 502398042 /nfs/dbraw/zinc/39/80/42/502398042.db2.gz UZJGEEZYVXIXDL-JTQLQIEISA-N 0 3 358.188 3.459 20 30 FGEDHN N#Cc1cc2cccnc2nc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000596210853 506313347 /nfs/dbraw/zinc/31/33/47/506313347.db2.gz RFVFZOSEJMRFAF-HXUWFJFHSA-N 0 3 373.460 3.204 20 30 FGEDHN Cc1nc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)ccc1C#N ZINC000469502491 502443569 /nfs/dbraw/zinc/44/35/69/502443569.db2.gz YTSOKVZVYLNQAY-FQEVSTJZSA-N 0 3 350.466 3.148 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000487556964 502477719 /nfs/dbraw/zinc/47/77/19/502477719.db2.gz KGKNPWBXZYCLTP-GOSISDBHSA-N 0 3 365.477 3.224 20 30 FGEDHN C[C@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000462536917 502479599 /nfs/dbraw/zinc/47/95/99/502479599.db2.gz GKKWVSPUFIOCOT-FXAWDEMLSA-N 0 3 362.477 3.037 20 30 FGEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487818798 502538440 /nfs/dbraw/zinc/53/84/40/502538440.db2.gz OVRBNVGEBQACIW-UHFFFAOYSA-N 0 3 367.291 3.372 20 30 FGEDHN C=CC[C@H](CC)NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000466376362 502551788 /nfs/dbraw/zinc/55/17/88/502551788.db2.gz HETMMCFNLCZMEB-LNLFQRSKSA-N 0 3 351.535 3.262 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487991995 502592795 /nfs/dbraw/zinc/59/27/95/502592795.db2.gz KDHWVEIABIZWIM-GFCCVEGCSA-N 0 3 365.275 3.317 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H]1CCN(C)C1 ZINC000473792222 502708598 /nfs/dbraw/zinc/70/85/98/502708598.db2.gz LTPNUZNDFWZTRS-MRXNPFEDSA-N 0 3 358.511 3.395 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2C(C)(C)C2(C)C)cc1 ZINC000481033390 502734811 /nfs/dbraw/zinc/73/48/11/502734811.db2.gz JRTHODKZTWGCDO-GFCCVEGCSA-N 0 3 363.483 3.176 20 30 FGEDHN CCN1[C@H](C)CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000602875156 506334180 /nfs/dbraw/zinc/33/41/80/506334180.db2.gz WXBAOHAZMSUMKR-IXDOHACOSA-N 0 3 374.554 3.434 20 30 FGEDHN COc1cc(CN2CC[C@H](CO)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000488755981 502803605 /nfs/dbraw/zinc/80/36/05/502803605.db2.gz VAZGLGYVNNTJDU-OXJNMPFZSA-N 0 3 366.461 3.349 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463445727 502807676 /nfs/dbraw/zinc/80/76/76/502807676.db2.gz VHENPVDUDWKABD-SIKLNZKXSA-N 0 3 358.526 3.117 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)CC1 ZINC000488789908 502810500 /nfs/dbraw/zinc/81/05/00/502810500.db2.gz ATBGUKZORCECGN-QGZVFWFLSA-N 0 3 374.504 3.086 20 30 FGEDHN N#Cc1ccc(CNC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(F)c1 ZINC000512983790 502826330 /nfs/dbraw/zinc/82/63/30/502826330.db2.gz WXENNTMJWHGHLG-UHFFFAOYSA-N 0 3 360.820 3.073 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc(C#N)c(C)c2)s1 ZINC000513049969 502839287 /nfs/dbraw/zinc/83/92/87/502839287.db2.gz CLIKKZLKXGVZLA-CHWSQXEVSA-N 0 3 357.483 3.034 20 30 FGEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 ZINC000513059694 502842187 /nfs/dbraw/zinc/84/21/87/502842187.db2.gz XCYJHHRGVZLAEG-ZIAGYGMSSA-N 0 3 374.510 3.418 20 30 FGEDHN N#CCc1cccc2c1CCN(C(=O)NC[C@@H]1CCN1C1CCCCC1)C2 ZINC000599144588 506342269 /nfs/dbraw/zinc/34/22/69/506342269.db2.gz KGHGNUDWRRDRTR-FQEVSTJZSA-N 0 3 366.509 3.227 20 30 FGEDHN CN(C)C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccc(Cl)cc1 ZINC000513574621 502969341 /nfs/dbraw/zinc/96/93/41/502969341.db2.gz YDLVRHNAIIZJCI-IBGZPJMESA-N 0 3 370.884 3.310 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(c2ccc(F)cn2)CC1 ZINC000602905436 506344440 /nfs/dbraw/zinc/34/44/40/506344440.db2.gz SJWDWUQFQQJRTB-UHFFFAOYSA-N 0 3 352.413 3.301 20 30 FGEDHN COc1cc(NC(=O)C(C#N)c2nc(C)c(C)s2)cc(OC)c1OC ZINC000505770889 502982942 /nfs/dbraw/zinc/98/29/42/502982942.db2.gz IWWKTIAOLCYCFA-GFCCVEGCSA-N 0 3 361.423 3.032 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000501867021 503097515 /nfs/dbraw/zinc/09/75/15/503097515.db2.gz MNKAQLOAFZOIOG-KRWDZBQOSA-N 0 3 355.482 3.050 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)N(C)C ZINC000510512591 503129622 /nfs/dbraw/zinc/12/96/22/503129622.db2.gz PHWPOBSUGBKOFA-AGHHOFFYSA-N 0 3 374.488 3.357 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](N)CC(F)F ZINC000498208534 503131525 /nfs/dbraw/zinc/13/15/25/503131525.db2.gz RYVJIAJHGVPBNG-LBPRGKRZSA-N 0 3 365.193 3.085 20 30 FGEDHN COc1cc(CN[C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)ccc1C#N ZINC000514895204 503221490 /nfs/dbraw/zinc/22/14/90/503221490.db2.gz XZKNWGWPISDYBR-JTSKRJEESA-N 0 3 365.477 3.118 20 30 FGEDHN C[C@@H]1CCN(C)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000498707981 503244193 /nfs/dbraw/zinc/24/41/93/503244193.db2.gz RRGDRXFBYTUFTB-QGZVFWFLSA-N 0 3 363.461 3.303 20 30 FGEDHN CC(C)OC[C@H](CO)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000515020642 503252272 /nfs/dbraw/zinc/25/22/72/503252272.db2.gz UDFPFPAZSIILOG-NRFANRHFSA-N 0 3 368.477 3.355 20 30 FGEDHN CCOc1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000515188156 503287578 /nfs/dbraw/zinc/28/75/78/503287578.db2.gz SNUWXTCOVYLQIW-QGZVFWFLSA-N 0 3 374.868 3.334 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000498923051 503293839 /nfs/dbraw/zinc/29/38/39/503293839.db2.gz FEUWHWSGGYJHRT-YESZJQIVSA-N 0 3 374.554 3.434 20 30 FGEDHN C=CCN(CCc1ccco1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000491285420 503293937 /nfs/dbraw/zinc/29/39/37/503293937.db2.gz SWSOTPNXHVDTBK-GOSISDBHSA-N 0 3 353.466 3.338 20 30 FGEDHN CC(C)[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000515415095 503333858 /nfs/dbraw/zinc/33/38/58/503333858.db2.gz OXVCJAVIKUMGCP-JXFKEZNVSA-N 0 3 364.449 3.161 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3ncc4c(c3C#N)CCC4)CC2)C[C@H](C)O1 ZINC000515834151 503409395 /nfs/dbraw/zinc/40/93/95/503409395.db2.gz UIQXRWBIPMPNKK-IRXDYDNUSA-N 0 3 368.525 3.158 20 30 FGEDHN COc1cccc(OC)c1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000511956075 503422769 /nfs/dbraw/zinc/42/27/69/503422769.db2.gz IIXJHPNSXZJVBV-UHFFFAOYSA-N 0 3 367.449 3.450 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503515852 503425318 /nfs/dbraw/zinc/42/53/18/503425318.db2.gz IIFFFMFJXVGBJY-KRQVXIAISA-N 0 3 357.498 3.157 20 30 FGEDHN C=CCN1CC[C@H](NC(C)(C)Cc2ccc(Br)cc2)C1=O ZINC000499548320 503429973 /nfs/dbraw/zinc/42/99/73/503429973.db2.gz WUGCSEJTZHILSW-HNNXBMFYSA-N 0 3 351.288 3.147 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000512038110 503440604 /nfs/dbraw/zinc/44/06/04/503440604.db2.gz IKTDRUDKGGJUIM-CMKODMSKSA-N 0 3 374.525 3.334 20 30 FGEDHN N#Cc1c(F)cccc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593068006 506371861 /nfs/dbraw/zinc/37/18/61/506371861.db2.gz OGEGRVVEFNDRBY-YADHBBJMSA-N 0 3 365.452 3.173 20 30 FGEDHN C[C@H](NC(=O)NCCc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000503904743 503486391 /nfs/dbraw/zinc/48/63/91/503486391.db2.gz AYFXEXFVSZYOOY-JXFKEZNVSA-N 0 3 350.466 3.091 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cc1c(F)cccc1C#N ZINC000508690106 503543348 /nfs/dbraw/zinc/54/33/48/503543348.db2.gz PJTCGIKTBAPXBQ-UHFFFAOYSA-N 0 3 367.468 3.263 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3cccc(C#N)c3F)CC2)C[C@@H](C)O1 ZINC000512426088 503547107 /nfs/dbraw/zinc/54/71/07/503547107.db2.gz DVHYFKDDMJGUJT-IAGOWNOFSA-N 0 3 359.489 3.409 20 30 FGEDHN N#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(Br)cc1 ZINC000494616741 503575164 /nfs/dbraw/zinc/57/51/64/503575164.db2.gz ZFWOTWBCAPWUAE-MRXNPFEDSA-N 0 3 362.271 3.004 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(CC)CC ZINC000494721866 503600209 /nfs/dbraw/zinc/60/02/09/503600209.db2.gz WWXRYHYOKPNCQF-GBESFXJTSA-N 0 3 355.482 3.237 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512823702 503640053 /nfs/dbraw/zinc/64/00/53/503640053.db2.gz XJTFNZGAPIFUER-CALCHBBNSA-N 0 3 369.509 3.218 20 30 FGEDHN CC(C)N1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000532955450 503673280 /nfs/dbraw/zinc/67/32/80/503673280.db2.gz CICBMETVWYLULM-KRWDZBQOSA-N 0 3 374.554 3.435 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 ZINC000517304346 503709812 /nfs/dbraw/zinc/70/98/12/503709812.db2.gz JOWVWSGZZYQXTA-UHFFFAOYSA-N 0 3 367.497 3.270 20 30 FGEDHN C=CCC[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000540456236 503776938 /nfs/dbraw/zinc/77/69/38/503776938.db2.gz HNIGIIVDMOMZAL-HKUYNNGSSA-N 0 3 355.434 3.452 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncc(-c3ccccc3)o2)cc1 ZINC000527450313 503792585 /nfs/dbraw/zinc/79/25/85/503792585.db2.gz WVRWRGHYLZKZLG-GOSISDBHSA-N 0 3 356.385 3.212 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000517732800 503821096 /nfs/dbraw/zinc/82/10/96/503821096.db2.gz MBUMKOJSHRZZEI-HKUYNNGSSA-N 0 3 372.465 3.397 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000533440400 503845941 /nfs/dbraw/zinc/84/59/41/503845941.db2.gz SDJSKIRMWNHOGB-RDJZCZTQSA-N 0 3 372.538 3.188 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC[C@@H](O)COc2ccccc2C#N)cc1 ZINC000530232028 503884955 /nfs/dbraw/zinc/88/49/55/503884955.db2.gz VFXMPDURNYDFSC-URVUXULASA-N 0 3 366.461 3.116 20 30 FGEDHN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N(CCC#N)CCCN(C)C ZINC000546808579 503885705 /nfs/dbraw/zinc/88/57/05/503885705.db2.gz DVDAAEZBJQEINC-HNNXBMFYSA-N 0 3 363.889 3.243 20 30 FGEDHN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N(CCC#N)CCCN(C)C ZINC000546808580 503886218 /nfs/dbraw/zinc/88/62/18/503886218.db2.gz DVDAAEZBJQEINC-OAHLLOKOSA-N 0 3 363.889 3.243 20 30 FGEDHN CC(C)[C@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)N1CCCCC1 ZINC000537681879 504003249 /nfs/dbraw/zinc/00/32/49/504003249.db2.gz AYWCCYMMBLOZFQ-HXUWFJFHSA-N 0 3 365.481 3.075 20 30 FGEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1C#N ZINC000544143286 504025098 /nfs/dbraw/zinc/02/50/98/504025098.db2.gz VBAFBCQRZZYRTH-QFBILLFUSA-N 0 3 370.884 3.210 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528033293 504048341 /nfs/dbraw/zinc/04/83/41/504048341.db2.gz ZFQIXIPOTIQIFE-RBUKOAKNSA-N 0 3 353.491 3.314 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC(Cc2cccnc2)CC1 ZINC000537842981 504060504 /nfs/dbraw/zinc/06/05/04/504060504.db2.gz GCCJZVVJONOGPF-UHFFFAOYSA-N 0 3 351.450 3.295 20 30 FGEDHN CC(C)n1ccc(C[C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000541255494 504062568 /nfs/dbraw/zinc/06/25/68/504062568.db2.gz NFNYOMCCQHNYTL-OXQOHEQNSA-N 0 3 365.481 3.052 20 30 FGEDHN Cc1cc(C)cc([C@H]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000541386728 504112224 /nfs/dbraw/zinc/11/22/24/504112224.db2.gz GVPTYPLZHSAWMS-PZJWPPBQSA-N 0 3 350.462 3.404 20 30 FGEDHN C=CCCC[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000538094786 504132149 /nfs/dbraw/zinc/13/21/49/504132149.db2.gz MPPGICRLQZOANH-MRXNPFEDSA-N 0 3 354.491 3.267 20 30 FGEDHN C=C(C)[C@H](CC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC)OCC ZINC000534423408 504138643 /nfs/dbraw/zinc/13/86/43/504138643.db2.gz YYMRDEGXNCAJBP-UXHICEINSA-N 0 3 359.514 3.266 20 30 FGEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000544452652 504140789 /nfs/dbraw/zinc/14/07/89/504140789.db2.gz REWLLJXMEYNPFS-LJQANCHMSA-N 0 3 374.488 3.453 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC000528283491 504146981 /nfs/dbraw/zinc/14/69/81/504146981.db2.gz TVXMEIFHASTJHB-LJQANCHMSA-N 0 3 367.880 3.442 20 30 FGEDHN Cc1nnc(N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c(C#N)c1C ZINC000531095319 504186909 /nfs/dbraw/zinc/18/69/09/504186909.db2.gz VGMJCRWQDUFRPF-JOCHJYFZSA-N 0 3 361.493 3.458 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCOC(C)(C)C ZINC000531170430 504213750 /nfs/dbraw/zinc/21/37/50/504213750.db2.gz ITFKQAXLHZQVJD-UHFFFAOYSA-N 0 3 352.548 3.400 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528446571 504228703 /nfs/dbraw/zinc/22/87/03/504228703.db2.gz BFHWYSRCFYNZKX-UHFFFAOYSA-N 0 3 373.241 3.498 20 30 FGEDHN C[C@H]1Oc2ccc(C(=O)C3CCN(CCC(C)(C)C#N)CC3)cc2NC1=O ZINC000538464482 504254235 /nfs/dbraw/zinc/25/42/35/504254235.db2.gz ARZBSHGGURYKEX-CQSZACIVSA-N 0 3 369.465 3.241 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000519589074 504265405 /nfs/dbraw/zinc/26/54/05/504265405.db2.gz ZGDYATMAZCLFPQ-PMACEKPBSA-N 0 3 357.885 3.225 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000547951792 504270955 /nfs/dbraw/zinc/27/09/55/504270955.db2.gz KLFCBVAUKNVJDI-UHFFFAOYSA-N 0 3 371.868 3.125 20 30 FGEDHN C=CCOc1ccc(CNC[C@@H](Cc2ccccc2Cl)C(N)=O)cc1 ZINC000538533225 504276790 /nfs/dbraw/zinc/27/67/90/504276790.db2.gz ZYVNHKXJRRZOFN-QGZVFWFLSA-N 0 3 358.869 3.339 20 30 FGEDHN C=CC[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000528598638 504290247 /nfs/dbraw/zinc/29/02/47/504290247.db2.gz SIZIIFYBANQLHE-KBAYOESNSA-N 0 3 355.507 3.440 20 30 FGEDHN C[C@@]1(NCCS(=O)(=O)c2cccc(C#N)c2)CCCc2ccccc21 ZINC000538698597 504331424 /nfs/dbraw/zinc/33/14/24/504331424.db2.gz PHGNBFPUFIPFFP-HXUWFJFHSA-N 0 3 354.475 3.173 20 30 FGEDHN COC(=O)c1cccc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000535204991 504372070 /nfs/dbraw/zinc/37/20/70/504372070.db2.gz HDJNZOHUYGOLAF-LJQANCHMSA-N 0 3 363.461 3.051 20 30 FGEDHN COc1cc(CN2CCC[C@]2(C)CO)ccc1OCc1cccc(C#N)c1 ZINC000545396251 504470708 /nfs/dbraw/zinc/47/07/08/504470708.db2.gz FNBODCGWVUAZSJ-JOCHJYFZSA-N 0 3 366.461 3.493 20 30 FGEDHN N#CC(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccncn1 ZINC000545445516 504489888 /nfs/dbraw/zinc/48/98/88/504489888.db2.gz GNGFZXNQHKZNGP-AWEZNQCLSA-N 0 3 374.322 3.112 20 30 FGEDHN C[C@](C#N)(NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000548603605 504492164 /nfs/dbraw/zinc/49/21/64/504492164.db2.gz ZCAHJBDAZSKPKD-CUXKYVRBSA-N 0 3 351.494 3.453 20 30 FGEDHN COc1ccc([C@@H](NCC(=O)NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000539243172 504509351 /nfs/dbraw/zinc/50/93/51/504509351.db2.gz JXSMXOXBJJJGJV-NRFANRHFSA-N 0 3 351.450 3.170 20 30 FGEDHN N#Cc1ccc(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)s1 ZINC000539344056 504536106 /nfs/dbraw/zinc/53/61/06/504536106.db2.gz USGUNJNGFPZLPQ-UHFFFAOYSA-N 0 3 369.490 3.067 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCCOC1 ZINC000542577989 504545401 /nfs/dbraw/zinc/54/54/01/504545401.db2.gz XHKHELVETOQPSG-OAGGEKHMSA-N 0 3 361.511 3.282 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)CC1 ZINC000536136137 504644679 /nfs/dbraw/zinc/64/46/79/504644679.db2.gz PKFFKSRGYFAZHI-NXHRZFHOSA-N 0 3 351.535 3.166 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546002015 504671124 /nfs/dbraw/zinc/67/11/24/504671124.db2.gz QCMHGSZXJYHJKC-SFHVURJKSA-N 0 3 364.449 3.305 20 30 FGEDHN C=CCN(Cc1ccc2[nH]cnc2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831403 504707911 /nfs/dbraw/zinc/70/79/11/504707911.db2.gz MLRFAOARZTXXJE-HNNXBMFYSA-N 0 3 359.437 3.288 20 30 FGEDHN C=CCN(Cc1ccc2nc[nH]c2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831403 504707915 /nfs/dbraw/zinc/70/79/15/504707915.db2.gz MLRFAOARZTXXJE-HNNXBMFYSA-N 0 3 359.437 3.288 20 30 FGEDHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C(C#N)CCc1ccccc1 ZINC000539935652 504742663 /nfs/dbraw/zinc/74/26/63/504742663.db2.gz PARGRPXXBGVVTM-QZTJIDSGSA-N 0 3 350.418 3.057 20 30 FGEDHN C=C(C)Cn1c(C2CCC2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000549291701 504784582 /nfs/dbraw/zinc/78/45/82/504784582.db2.gz LKONUYCJEVVWHP-SFHVURJKSA-N 0 3 361.534 3.059 20 30 FGEDHN CN(C)[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)Cc1ccccc1 ZINC000552908094 504786184 /nfs/dbraw/zinc/78/61/84/504786184.db2.gz HGJUTQRQHQZEOO-MRXNPFEDSA-N 0 3 353.857 3.444 20 30 FGEDHN CCN1CCN([C@@H](C)CNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000562353400 504793220 /nfs/dbraw/zinc/79/32/20/504793220.db2.gz ZXERIXREJOYIIY-INIZCTEOSA-N 0 3 355.530 3.005 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000556173548 504810419 /nfs/dbraw/zinc/81/04/19/504810419.db2.gz KGBCJNJMIQTLDZ-IIBYNOLFSA-N 0 3 353.441 3.076 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(NCCN3CC=C(C)CC3)c2c1 ZINC000553160192 504840598 /nfs/dbraw/zinc/84/05/98/504840598.db2.gz AOCSRZAGWJHOOP-UHFFFAOYSA-N 0 3 352.438 3.188 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(C)c1C1CCC1 ZINC000549813352 504905169 /nfs/dbraw/zinc/90/51/69/504905169.db2.gz WUHZSQRLEXYAJK-UHFFFAOYSA-N 0 3 364.493 3.368 20 30 FGEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCNC2=O)cc1 ZINC000562679964 504906674 /nfs/dbraw/zinc/90/66/74/504906674.db2.gz OUWDIRHUBDRBJE-IBGZPJMESA-N 0 3 351.425 3.226 20 30 FGEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cccc(C#N)c1Br ZINC000562702391 504913686 /nfs/dbraw/zinc/91/36/86/504913686.db2.gz UXRYBEULGDRYSJ-AWEZNQCLSA-N 0 3 364.287 3.267 20 30 FGEDHN C[C@H](NCCn1cnc(C#N)n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000565601166 504934926 /nfs/dbraw/zinc/93/49/26/504934926.db2.gz MAAXNUDWFOAZDS-AWEZNQCLSA-N 0 3 351.385 3.432 20 30 FGEDHN CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000565629676 504942269 /nfs/dbraw/zinc/94/22/69/504942269.db2.gz HTMIZYATUZYFSK-UHFFFAOYSA-N 0 3 352.486 3.005 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565652947 504949298 /nfs/dbraw/zinc/94/92/98/504949298.db2.gz BHUUOQXQCSFMDL-SIKLNZKXSA-N 0 3 361.445 3.031 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(C2CCCC2)CC1 ZINC000562824604 504956945 /nfs/dbraw/zinc/95/69/45/504956945.db2.gz RZLOCUKFJCQFRD-HXUWFJFHSA-N 0 3 352.482 3.205 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000562952483 504999001 /nfs/dbraw/zinc/99/90/01/504999001.db2.gz UNCIIVMVIHXRGG-HXUWFJFHSA-N 0 3 362.477 3.461 20 30 FGEDHN C[C@@]1(NC(=O)NCC2CCC(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000565839057 505002943 /nfs/dbraw/zinc/00/29/43/505002943.db2.gz VXWTURYKQZEPRZ-WIXQSORDSA-N 0 3 354.498 3.280 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000565850747 505006089 /nfs/dbraw/zinc/00/60/89/505006089.db2.gz HCMJQMXYJAQUQW-RTWAWAEBSA-N 0 3 365.477 3.496 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000553815031 505018014 /nfs/dbraw/zinc/01/80/14/505018014.db2.gz QXLFMACFXFRQNU-OXUXUCFPSA-N 0 3 361.511 3.085 20 30 FGEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000553881646 505031548 /nfs/dbraw/zinc/03/15/48/505031548.db2.gz APLZEJCDBYNYTJ-UHFFFAOYSA-N 0 3 369.918 3.098 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000566033221 505059813 /nfs/dbraw/zinc/05/98/13/505059813.db2.gz MAQSNQNZXYFDDZ-YJBOKZPZSA-N 0 3 364.449 3.351 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000563366394 505121822 /nfs/dbraw/zinc/12/18/22/505121822.db2.gz YMFQAWWGEBSLHZ-UXHICEINSA-N 0 3 369.509 3.014 20 30 FGEDHN CC1(C)CC[C@H](NCCn2cnc(C#N)n2)c2cc(Br)ccc21 ZINC000560580415 505132744 /nfs/dbraw/zinc/13/27/44/505132744.db2.gz FMROITZHBIYGHB-HNNXBMFYSA-N 0 3 374.286 3.315 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2c[nH]nc2C)CC1)C(C)C ZINC000554497641 505188658 /nfs/dbraw/zinc/18/86/58/505188658.db2.gz FSJFGTJQMABGNH-HXUWFJFHSA-N 0 3 373.545 3.306 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)OCC ZINC000557647320 505192352 /nfs/dbraw/zinc/19/23/52/505192352.db2.gz ZDMMCECGEHWPNI-IFMALSPDSA-N 0 3 356.510 3.482 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](c3ccnc(N)n3)C2)ccc1OC ZINC000551333221 505202632 /nfs/dbraw/zinc/20/26/32/505202632.db2.gz VGFKRUCZNGGWPA-KRWDZBQOSA-N 0 3 368.481 3.232 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000551344903 505205431 /nfs/dbraw/zinc/20/54/31/505205431.db2.gz ZCGMLZBHWGTZJP-FXAWDEMLSA-N 0 3 362.477 3.387 20 30 FGEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000563708135 505217315 /nfs/dbraw/zinc/21/73/15/505217315.db2.gz MIPRKNKXGAZQDN-KKSFZXQISA-N 0 3 355.457 3.350 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)NC[C@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000557754148 505221261 /nfs/dbraw/zinc/22/12/61/505221261.db2.gz POEXNTOIXNNZPI-HXUWFJFHSA-N 0 3 374.488 3.369 20 30 FGEDHN COc1ccc(OCCNC2(c3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 ZINC000551711461 505289095 /nfs/dbraw/zinc/28/90/95/505289095.db2.gz YKTYRENEBQARDA-UHFFFAOYSA-N 0 3 353.378 3.133 20 30 FGEDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cc(C#N)ccc1OC ZINC000551751175 505298457 /nfs/dbraw/zinc/29/84/57/505298457.db2.gz ZOWQVSYNFTZBRE-HNAYVOBHSA-N 0 3 352.434 3.077 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)N1[C@H](C)CC[C@@H]1C ZINC000561306577 505310011 /nfs/dbraw/zinc/31/00/11/505310011.db2.gz DVNYKEJBUFLIKY-OWCLPIDISA-N 0 3 373.472 3.328 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551992156 505364841 /nfs/dbraw/zinc/36/48/41/505364841.db2.gz IZKPFMDRSLOMPE-IAGOWNOFSA-N 0 3 350.422 3.035 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000567179087 505386816 /nfs/dbraw/zinc/38/68/16/505386816.db2.gz YLGBIRKIGWIQCJ-PWRODBHTSA-N 0 3 359.473 3.354 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000564421508 505415673 /nfs/dbraw/zinc/41/56/73/505415673.db2.gz GYZYZZLOYYSCNF-IBGZPJMESA-N 0 3 367.497 3.450 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000564421512 505415799 /nfs/dbraw/zinc/41/57/99/505415799.db2.gz GYZYZZLOYYSCNF-LJQANCHMSA-N 0 3 367.497 3.450 20 30 FGEDHN C[C@H](O)C[C@H]1CCCCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552178990 505421802 /nfs/dbraw/zinc/42/18/02/505421802.db2.gz UHJVDSAZAXPPRX-PWIZWCRZSA-N 0 3 355.482 3.069 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000555582560 505463419 /nfs/dbraw/zinc/46/34/19/505463419.db2.gz AGTFZDJVBQOUQR-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN CCOC(=O)COCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000562038709 505499051 /nfs/dbraw/zinc/49/90/51/505499051.db2.gz VWZFQMAOBADHDF-INIZCTEOSA-N 0 3 352.434 3.456 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cn2cc(C)ccc2n1)C(C)C ZINC000555860875 505528906 /nfs/dbraw/zinc/52/89/06/505528906.db2.gz QBNACIHFTQJRIY-IBGZPJMESA-N 0 3 369.513 3.141 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1ncc(C#N)cc1C)c1cccc(OC)c1 ZINC000558932113 505532717 /nfs/dbraw/zinc/53/27/17/505532717.db2.gz RNQQSGYAVQSOLB-IBGZPJMESA-N 0 3 366.465 3.083 20 30 FGEDHN CO[C@@H](CNC[C@H](O)COc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000567683123 505534970 /nfs/dbraw/zinc/53/49/70/505534970.db2.gz HXQOETWXKRWBQL-ICSRJNTNSA-N 0 3 374.868 3.123 20 30 FGEDHN CN(Cc1ccccn1)[C@H]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000564877082 505546555 /nfs/dbraw/zinc/54/65/55/505546555.db2.gz PPFGQPPVNKNWDA-IBGZPJMESA-N 0 3 361.493 3.328 20 30 FGEDHN CCc1oc2ccccc2c1CN(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599251333 506386372 /nfs/dbraw/zinc/38/63/72/506386372.db2.gz UUZBPUILCOWSRL-INIZCTEOSA-N 0 3 356.466 3.498 20 30 FGEDHN Cc1c(C#N)c(NCc2ccc(CN3CC[C@@H](O)C3)cc2)nc2ccccc12 ZINC000596423536 506399445 /nfs/dbraw/zinc/39/94/45/506399445.db2.gz LABDKDBCUKQXJE-LJQANCHMSA-N 0 3 372.472 3.016 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596436664 506403985 /nfs/dbraw/zinc/40/39/85/506403985.db2.gz NIWXHNMCLCFHAK-UHFFFAOYSA-N 0 3 351.410 3.186 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1cccc(OC)c1 ZINC000612098305 506434507 /nfs/dbraw/zinc/43/45/07/506434507.db2.gz LCZJGLUHGRFREX-FPOVZHCZSA-N 0 3 372.513 3.413 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccc2ncsc2c1 ZINC000599380128 506434731 /nfs/dbraw/zinc/43/47/31/506434731.db2.gz BSMURDRRDGZYPF-BBRMVZONSA-N 0 3 353.447 3.258 20 30 FGEDHN CN(CCOc1ccccc1C(C)(C)C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599394644 506439926 /nfs/dbraw/zinc/43/99/26/506439926.db2.gz ZFKMZJPQTMUVLT-GOSISDBHSA-N 0 3 374.525 3.366 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(CNC2CCCC2)nn1 ZINC000603188111 506451202 /nfs/dbraw/zinc/45/12/02/506451202.db2.gz HRGITMJDGGWVTP-GFCCVEGCSA-N 0 3 372.860 3.035 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CCOCC1 ZINC000599452852 506463294 /nfs/dbraw/zinc/46/32/94/506463294.db2.gz CIVHTKCKNLUKJY-TUFLPTIASA-N 0 3 370.493 3.052 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593245115 506492438 /nfs/dbraw/zinc/49/24/38/506492438.db2.gz SEOFDBUZOKMAJO-CQSZACIVSA-N 0 3 365.330 3.134 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)c3ncc([N+](=O)[O-])cc3C#N)C2)s1 ZINC000603400078 506503347 /nfs/dbraw/zinc/50/33/47/506503347.db2.gz IXTONBCSTWJYLB-AWEZNQCLSA-N 0 3 371.466 3.190 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000603444612 506515301 /nfs/dbraw/zinc/51/53/01/506515301.db2.gz NEYSUYMWVZWENG-OLZOCXBDSA-N 0 3 372.494 3.169 20 30 FGEDHN C=CCC1(NCC(=O)Nc2nc(CC(=O)OCC)cs2)CCCCC1 ZINC000599610534 506529077 /nfs/dbraw/zinc/52/90/77/506529077.db2.gz RZFREUFIUBSGNL-UHFFFAOYSA-N 0 3 365.499 3.056 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1cccs1 ZINC000612373734 506548953 /nfs/dbraw/zinc/54/89/53/506548953.db2.gz ZPMGFKVIQKKBKF-SZVBFZGTSA-N 0 3 360.527 3.466 20 30 FGEDHN C[C@]1(NC(=O)NCc2ccc(C#N)cc2F)CCN(Cc2ccccc2)C1 ZINC000593338584 506554331 /nfs/dbraw/zinc/55/43/31/506554331.db2.gz JGXVZEORZJUEEN-NRFANRHFSA-N 0 3 366.440 3.161 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000599659833 506559871 /nfs/dbraw/zinc/55/98/71/506559871.db2.gz KKMLQRNUGXYRHK-KRWDZBQOSA-N 0 3 364.493 3.469 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000593452800 506627867 /nfs/dbraw/zinc/62/78/67/506627867.db2.gz GGQUFULIBXZXOL-UHFFFAOYSA-N 0 3 364.530 3.435 20 30 FGEDHN COc1ccc(OC2CCN(CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000603854530 506637426 /nfs/dbraw/zinc/63/74/26/506637426.db2.gz CJHHKXIPHFHLSW-UHFFFAOYSA-N 0 3 352.434 3.489 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000593701108 506739544 /nfs/dbraw/zinc/73/95/44/506739544.db2.gz YSQLRLOZYLOSCD-GOSISDBHSA-N 0 3 355.869 3.216 20 30 FGEDHN N#CC1(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CCCC1 ZINC000593774985 506770535 /nfs/dbraw/zinc/77/05/35/506770535.db2.gz IHDHDRLSAQCMDU-QGZVFWFLSA-N 0 3 361.436 3.344 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2onc(CC)c2c1)C(C)C ZINC000590319185 506792372 /nfs/dbraw/zinc/79/23/72/506792372.db2.gz AKRCWFZTFYXIMN-GOSISDBHSA-N 0 3 356.470 3.214 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609239976 506823762 /nfs/dbraw/zinc/82/37/62/506823762.db2.gz GMGHDOBLOMJSHH-KXBFYZLASA-N 0 3 366.440 3.332 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)c(F)c1 ZINC000609254211 506825796 /nfs/dbraw/zinc/82/57/96/506825796.db2.gz FXOOJHBDUYODNS-UHFFFAOYSA-N 0 3 358.461 3.105 20 30 FGEDHN CN1C[C@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@H]2C1 ZINC000590445632 506826479 /nfs/dbraw/zinc/82/64/79/506826479.db2.gz QFZNEZWUGKXNJT-BEFAXECRSA-N 0 3 365.408 3.266 20 30 FGEDHN COCCN1CCC[C@H](Nc2cc(C)c(C#N)c3nc4ccccc4n32)C1 ZINC000609269374 506830809 /nfs/dbraw/zinc/83/08/09/506830809.db2.gz ZWXHIOIRWMTMOJ-INIZCTEOSA-N 0 3 363.465 3.190 20 30 FGEDHN N#CC1(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCCCC1 ZINC000597228249 506848460 /nfs/dbraw/zinc/84/84/60/506848460.db2.gz KPOZPAUKOLVFFX-UHFFFAOYSA-N 0 3 369.509 3.124 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)o1 ZINC000593991718 506870660 /nfs/dbraw/zinc/87/06/60/506870660.db2.gz JTTLYGZXUXLZQE-INIZCTEOSA-N 0 3 353.466 3.229 20 30 FGEDHN Cc1noc(-c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cn2)n1 ZINC000590660313 506898663 /nfs/dbraw/zinc/89/86/63/506898663.db2.gz ZIHVRFWZSPTBOG-UHFFFAOYSA-N 0 3 374.448 3.388 20 30 FGEDHN C=CCOc1ccc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000604769095 506934986 /nfs/dbraw/zinc/93/49/86/506934986.db2.gz HEMBIRNNYINJGU-QHCPKHFHSA-N 0 3 366.505 3.368 20 30 FGEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609595457 506938404 /nfs/dbraw/zinc/93/84/04/506938404.db2.gz VPQFFAKTSSODHN-WBVHZDCISA-N 0 3 365.433 3.039 20 30 FGEDHN Cc1cc(NC(=O)[C@H](C)CC#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000597412680 506938956 /nfs/dbraw/zinc/93/89/56/506938956.db2.gz GTJAVOLRCFWEAF-QAPCUYQASA-N 0 3 351.454 3.127 20 30 FGEDHN N#Cc1c(-n2cccn2)cccc1N1CCCN(Cc2ccccc2)CC1 ZINC000583763303 506959443 /nfs/dbraw/zinc/95/94/43/506959443.db2.gz VUBASAHAUMCJBX-UHFFFAOYSA-N 0 3 357.461 3.456 20 30 FGEDHN CC(C)N(Cc1ccc(NC(=O)N2CC(C#N)C2)cc1)C[C@H]1CCCCO1 ZINC000590826066 506984998 /nfs/dbraw/zinc/98/49/98/506984998.db2.gz UZAIVBOMIUTVNQ-HXUWFJFHSA-N 0 3 370.497 3.453 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000613254432 506994927 /nfs/dbraw/zinc/99/49/27/506994927.db2.gz KYSAHKJYZKDQNI-XPKDYRNWSA-N 0 3 351.372 3.483 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000613255528 506995196 /nfs/dbraw/zinc/99/51/96/506995196.db2.gz VNGHDQFJOVRQFJ-SNPRPXQTSA-N 0 3 351.372 3.483 20 30 FGEDHN C[C@H]1[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CCN1Cc1ccccc1 ZINC000594242960 507037282 /nfs/dbraw/zinc/03/72/82/507037282.db2.gz GXAZRVMQNJJRGN-HRAATJIYSA-N 0 3 360.461 3.246 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000590943306 507052056 /nfs/dbraw/zinc/05/20/56/507052056.db2.gz XQQKCBZFKSLZTN-HKUYNNGSSA-N 0 3 360.527 3.346 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000597697953 507064279 /nfs/dbraw/zinc/06/42/79/507064279.db2.gz OSJMRDMIAVWOFV-IRXDYDNUSA-N 0 3 367.415 3.149 20 30 FGEDHN COc1cccc(Oc2ncccc2CNC[C@@H](O)CC2(C#N)CC2)c1 ZINC000600722898 507082030 /nfs/dbraw/zinc/08/20/30/507082030.db2.gz JPTVNHUPVZSGGX-INIZCTEOSA-N 0 3 353.422 3.027 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCCc3sc(Cl)cc32)CCOCC1 ZINC000600739939 507093513 /nfs/dbraw/zinc/09/35/13/507093513.db2.gz RRARSQASUJZMFV-TZMCWYRMSA-N 0 3 354.903 3.440 20 30 FGEDHN COc1ccc(C)cc1-c1csc(NC(=O)[C@H](N)CCCCC#N)n1 ZINC000594424527 507126444 /nfs/dbraw/zinc/12/64/44/507126444.db2.gz ARYCBBKJBUHRLX-CQSZACIVSA-N 0 3 358.467 3.477 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000594426804 507127226 /nfs/dbraw/zinc/12/72/26/507127226.db2.gz SDFCYASDSVYVIN-QGZVFWFLSA-N 0 3 357.454 3.098 20 30 FGEDHN COc1ccc(F)cc1-c1csc(NC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594426043 507127486 /nfs/dbraw/zinc/12/74/86/507127486.db2.gz CEJVPBJPVZGTAQ-ZDUSSCGKSA-N 0 3 362.430 3.308 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000594429802 507128735 /nfs/dbraw/zinc/12/87/35/507128735.db2.gz WGMCSZILTYHFJQ-IBGZPJMESA-N 0 3 351.450 3.293 20 30 FGEDHN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594431615 507129344 /nfs/dbraw/zinc/12/93/44/507129344.db2.gz OSHQNLZFMPMKAN-WMZOPIPTSA-N 0 3 370.497 3.359 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000594435820 507130569 /nfs/dbraw/zinc/13/05/69/507130569.db2.gz ABRNMWIPQYYBQE-ZWKOTPCHSA-N 0 3 351.454 3.159 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000594435683 507131752 /nfs/dbraw/zinc/13/17/52/507131752.db2.gz FVEKUBRBAUMSMH-KRWDZBQOSA-N 0 3 361.449 3.257 20 30 FGEDHN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594446279 507136401 /nfs/dbraw/zinc/13/64/01/507136401.db2.gz OWQAMHGLLALTCE-OCCSQVGLSA-N 0 3 353.850 3.103 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(COc2cccc(F)c2)cc1 ZINC000594449425 507139385 /nfs/dbraw/zinc/13/93/85/507139385.db2.gz IZPCYQKZPMSXFZ-HXUWFJFHSA-N 0 3 369.440 3.432 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000594452873 507140252 /nfs/dbraw/zinc/14/02/52/507140252.db2.gz KLQDYJDQNFRBPS-DOTOQJQBSA-N 0 3 363.889 3.369 20 30 FGEDHN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1cc(C#N)nc2ccccc21 ZINC000610279191 507174683 /nfs/dbraw/zinc/17/46/83/507174683.db2.gz DEXDETRFOWFEOE-GOSISDBHSA-N 0 3 371.488 3.151 20 30 FGEDHN C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351813 507207656 /nfs/dbraw/zinc/20/76/56/507207656.db2.gz GZXIHECQRQUVMW-DLBZAZTESA-N 0 3 350.466 3.439 20 30 FGEDHN COc1ccccc1C[C@H](C)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370663 507216060 /nfs/dbraw/zinc/21/60/60/507216060.db2.gz MOKPNQQFLZJARP-FXAWDEMLSA-N 0 3 368.477 3.064 20 30 FGEDHN C[C@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000610400182 507227026 /nfs/dbraw/zinc/22/70/26/507227026.db2.gz PDPSENKMAJHQGP-JXFKEZNVSA-N 0 3 350.466 3.091 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000584261613 507242196 /nfs/dbraw/zinc/24/21/96/507242196.db2.gz NCFAATZJAUTIOD-GGAORHGYSA-N 0 3 361.489 3.426 20 30 FGEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000598173293 507295141 /nfs/dbraw/zinc/29/51/41/507295141.db2.gz BLNXPLBMRPORCY-NMLBUPMWSA-N 0 3 368.477 3.339 20 30 FGEDHN Cc1cc(NC(=O)N[C@H](C)c2cccc(C#N)c2)n(C2CCN(C)CC2)n1 ZINC000610572192 507296939 /nfs/dbraw/zinc/29/69/39/507296939.db2.gz WCHWFDZHSXOCGQ-OAHLLOKOSA-N 0 3 366.469 3.213 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000598194318 507305773 /nfs/dbraw/zinc/30/57/73/507305773.db2.gz FJSQAMVETXDLJS-IBGZPJMESA-N 0 3 351.425 3.086 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000598194741 507306574 /nfs/dbraw/zinc/30/65/74/507306574.db2.gz HJOJRGBXJAHKJJ-UGKGYDQZSA-N 0 3 351.494 3.236 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000610585063 507307606 /nfs/dbraw/zinc/30/76/06/507307606.db2.gz SEGJBIUGLKUABC-GOSISDBHSA-N 0 3 352.413 3.436 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)c(F)c1 ZINC000591733909 507343082 /nfs/dbraw/zinc/34/30/82/507343082.db2.gz LBIPBRZLKLEUSH-NQIIRXRSSA-N 0 3 354.425 3.242 20 30 FGEDHN CC[C@H]1CN(C)c2ccccc2CN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000610676667 507343272 /nfs/dbraw/zinc/34/32/72/507343272.db2.gz URBINYPFAQPOAU-PMACEKPBSA-N 0 3 365.477 3.029 20 30 FGEDHN CO[C@@H](CNC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000591754168 507346770 /nfs/dbraw/zinc/34/67/70/507346770.db2.gz GUOQJINOTIPYCT-JXFKEZNVSA-N 0 3 374.868 3.123 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000591764792 507351729 /nfs/dbraw/zinc/35/17/29/507351729.db2.gz UHFLCRVJIWVKJM-ZWKOTPCHSA-N 0 3 360.866 3.131 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2cc(Cl)ccc2Cl)s1 ZINC000591770966 507354034 /nfs/dbraw/zinc/35/40/34/507354034.db2.gz WZYCACOFZYSVIG-LLVKDONJSA-N 0 3 357.262 3.456 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000601619315 507404436 /nfs/dbraw/zinc/40/44/36/507404436.db2.gz ALYWYDFHGGNRBM-CQSZACIVSA-N 0 3 353.422 3.034 20 30 FGEDHN CC[C@@H](C)C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC ZINC000584604179 507431230 /nfs/dbraw/zinc/43/12/30/507431230.db2.gz BRGCMLWYERWDSY-UZLBHIALSA-N 0 3 357.498 3.090 20 30 FGEDHN Cc1cc(CN)cc(NC(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595236787 507434607 /nfs/dbraw/zinc/43/46/07/507434607.db2.gz NYMBLMUQLITTNA-UHFFFAOYSA-N 0 3 364.449 3.153 20 30 FGEDHN C[C@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1cccc(C#N)c1 ZINC000595236252 507434670 /nfs/dbraw/zinc/43/46/70/507434670.db2.gz XVVJZGMTCMBTSO-IFXJQAMLSA-N 0 3 350.422 3.102 20 30 FGEDHN C[C@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1cccc(C#N)c1 ZINC000595236254 507435084 /nfs/dbraw/zinc/43/50/84/507435084.db2.gz XVVJZGMTCMBTSO-LIRRHRJNSA-N 0 3 350.422 3.102 20 30 FGEDHN COc1cc(NC(=O)[C@H](N)CCCC#N)c(Cl)cc1Br ZINC000595259154 507443086 /nfs/dbraw/zinc/44/30/86/507443086.db2.gz IEPNCEWVHRYPAL-SNVBAGLBSA-N 0 3 360.639 3.071 20 30 FGEDHN CN1CCC(n2cc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cn2)CC1 ZINC000601773734 507455020 /nfs/dbraw/zinc/45/50/20/507455020.db2.gz AVOFWIKGXPQCFM-UHFFFAOYSA-N 0 3 369.444 3.077 20 30 FGEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000584708411 507464241 /nfs/dbraw/zinc/46/42/41/507464241.db2.gz UCLISEUBGPPBTI-IRXDYDNUSA-N 0 3 373.545 3.057 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@@H](CCCN4C4CC4)C3)o2)c1 ZINC000610995345 507473384 /nfs/dbraw/zinc/47/33/84/507473384.db2.gz WGLZBFPXVYNGJZ-HKUYNNGSSA-N 0 3 363.465 3.057 20 30 FGEDHN CC(C)N1CCN(C2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595404077 507482512 /nfs/dbraw/zinc/48/25/12/507482512.db2.gz RXLLWLXARWRFIB-FQEVSTJZSA-N 0 3 360.933 3.395 20 30 FGEDHN CN1CCN(CC2(C)CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595433500 507494796 /nfs/dbraw/zinc/49/47/96/507494796.db2.gz RHLGPHVUUIDJJY-LJQANCHMSA-N 0 3 360.933 3.254 20 30 FGEDHN CC(C)[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CCN1 ZINC000598574803 507497081 /nfs/dbraw/zinc/49/70/81/507497081.db2.gz UPAKVYFIMYIEKQ-OAQYLSRUSA-N 0 3 363.461 3.207 20 30 FGEDHN N#Cc1ccc(CCN(CCO)Cc2ccc(Br)s2)cc1 ZINC000595461766 507509091 /nfs/dbraw/zinc/50/90/91/507509091.db2.gz NAPNAYWTQKXLTR-UHFFFAOYSA-N 0 3 365.296 3.419 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000598594846 507509628 /nfs/dbraw/zinc/50/96/28/507509628.db2.gz FBMVIBRNQLMRAG-WBVHZDCISA-N 0 3 372.444 3.356 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000598596191 507512461 /nfs/dbraw/zinc/51/24/61/507512461.db2.gz JEFHDAZJRYDTPM-JYJNAYRXSA-N 0 3 356.388 3.114 20 30 FGEDHN CNS(=O)(=O)c1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000595499930 507532483 /nfs/dbraw/zinc/53/24/83/507532483.db2.gz BNUVOBQNLDSQCM-LJQANCHMSA-N 0 3 357.479 3.119 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595533502 507547195 /nfs/dbraw/zinc/54/71/95/507547195.db2.gz AMBGSTLGSRQGOK-RLLQIKCJSA-N 0 3 354.498 3.232 20 30 FGEDHN COc1cccc(Oc2ccc(CNC[C@H](O)CC(C)(C)C#N)cn2)c1 ZINC000598715107 507565264 /nfs/dbraw/zinc/56/52/64/507565264.db2.gz NDCGWDMVBCISLU-MRXNPFEDSA-N 0 3 355.438 3.273 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000598719419 507566898 /nfs/dbraw/zinc/56/68/98/507566898.db2.gz HZWZIYOFIDLYMC-IBGZPJMESA-N 0 3 369.440 3.468 20 30 FGEDHN Cn1nc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000611257858 507586335 /nfs/dbraw/zinc/58/63/35/507586335.db2.gz WHZZIUBPKPMVSE-UHFFFAOYSA-N 0 3 361.449 3.320 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3[nH]nc4ccccc43)CC2)c1 ZINC000611266923 507591933 /nfs/dbraw/zinc/59/19/33/507591933.db2.gz HAIAFRHXYWBWRF-UHFFFAOYSA-N 0 3 359.433 3.285 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@H](OCCO)C2)c1 ZINC000611271221 507595415 /nfs/dbraw/zinc/59/54/15/507595415.db2.gz GCUHJFAJCSTKCR-QFIPXVFZSA-N 0 3 366.461 3.111 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccnc2OCCCC)CC1 ZINC000592302523 507602458 /nfs/dbraw/zinc/60/24/58/507602458.db2.gz VVRUPKWFFLSJHK-UHFFFAOYSA-N 0 3 360.502 3.100 20 30 FGEDHN CCC(C)(C)[C@@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000595638972 507607384 /nfs/dbraw/zinc/60/73/84/507607384.db2.gz QBVYEKADUDHWCM-MRXNPFEDSA-N 0 3 362.518 3.366 20 30 FGEDHN COc1ccccc1S(=O)(=O)CCCNC(C)(C)c1cccc(C#N)c1 ZINC000595639114 507609706 /nfs/dbraw/zinc/60/97/06/507609706.db2.gz HKIQNXMGLDOYHO-UHFFFAOYSA-N 0 3 372.490 3.256 20 30 FGEDHN N#Cc1ccc(CCNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000595694890 507631094 /nfs/dbraw/zinc/63/10/94/507631094.db2.gz WABLWFWFJONTQV-UHFFFAOYSA-N 0 3 362.477 3.018 20 30 FGEDHN CNC(=O)[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Cc1ccc(F)cc1C ZINC000592391645 507634061 /nfs/dbraw/zinc/63/40/61/507634061.db2.gz SEYHPGJXIPZDIW-KSSFIOAISA-N 0 3 371.431 3.400 20 30 FGEDHN CC1(C)c2ccccc2CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611352011 507638252 /nfs/dbraw/zinc/63/82/52/507638252.db2.gz LYHMZEJSZDBRLV-IBGZPJMESA-N 0 3 350.462 3.286 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000586749186 507657142 /nfs/dbraw/zinc/65/71/42/507657142.db2.gz PYDNCCSLJNZMEJ-UHFFFAOYSA-N 0 3 367.518 3.114 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000586791217 507672872 /nfs/dbraw/zinc/67/28/72/507672872.db2.gz QAYVNFZZVHLOMX-OAQYLSRUSA-N 0 3 366.509 3.050 20 30 FGEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000595784458 507683289 /nfs/dbraw/zinc/68/32/89/507683289.db2.gz KEUPBTUGCFUFMS-OXJNMPFZSA-N 0 3 354.498 3.355 20 30 FGEDHN N#Cc1ccc2ncc(CN(Cc3ccccc3)[C@H](CO)C3CCC3)n2c1 ZINC000592520333 507691668 /nfs/dbraw/zinc/69/16/68/507691668.db2.gz LDUFYYSWYUNVQE-OAQYLSRUSA-N 0 3 360.461 3.369 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CNC1(CC(C)C)CC1 ZINC000595835192 507706793 /nfs/dbraw/zinc/70/67/93/507706793.db2.gz SJQADWMMGTXGHH-UHFFFAOYSA-N 0 3 360.502 3.120 20 30 FGEDHN CCO[C@H](C)c1nc(CN2CCN(C[C@@H](C)CCC#N)CC2)cs1 ZINC000602480782 507720553 /nfs/dbraw/zinc/72/05/53/507720553.db2.gz BVBBQLNPEAZODP-JKSUJKDBSA-N 0 3 350.532 3.298 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000602535395 507741009 /nfs/dbraw/zinc/74/10/09/507741009.db2.gz ZZGKYWTZANQUHZ-GIZXNFQBSA-N 0 3 364.287 3.380 20 30 FGEDHN C=CCNC(=O)c1ccc(N2CCCN(Cc3ccccc3C)CC2)nc1 ZINC000602542266 507744221 /nfs/dbraw/zinc/74/42/21/507744221.db2.gz ZMEPTSXBXOZANB-UHFFFAOYSA-N 0 3 364.493 3.018 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000607535010 507760768 /nfs/dbraw/zinc/76/07/68/507760768.db2.gz YPNSWAUDOKVZQB-UHFFFAOYSA-N 0 3 350.462 3.080 20 30 FGEDHN CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000276010989 523400137 /nfs/dbraw/zinc/40/01/37/523400137.db2.gz QDCSDQPZRBFOQM-IBGZPJMESA-N 0 3 354.498 3.369 20 30 FGEDHN CC[NH+](CC)Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737089061 600591024 /nfs/dbraw/zinc/59/10/24/600591024.db2.gz XZWNOQHPRPDKJZ-FQEVSTJZSA-N 0 3 351.450 3.316 20 30 FGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825322841 607483968 /nfs/dbraw/zinc/48/39/68/607483968.db2.gz KFBWXBDDMMHFEM-UHFFFAOYSA-N 0 3 362.437 3.159 20 30 FGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825322841 607483970 /nfs/dbraw/zinc/48/39/70/607483970.db2.gz KFBWXBDDMMHFEM-UHFFFAOYSA-N 0 3 362.437 3.159 20 30 FGEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825322841 607483971 /nfs/dbraw/zinc/48/39/71/607483971.db2.gz KFBWXBDDMMHFEM-UHFFFAOYSA-N 0 3 362.437 3.159 20 30 FGEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825322841 607483973 /nfs/dbraw/zinc/48/39/73/607483973.db2.gz KFBWXBDDMMHFEM-UHFFFAOYSA-N 0 3 362.437 3.159 20 30 FGEDHN CC[NH+](CC)Cc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829680135 601298274 /nfs/dbraw/zinc/29/82/74/601298274.db2.gz QPPHZOPKTZAMQA-HXUWFJFHSA-N 0 3 351.450 3.316 20 30 FGEDHN N#Cc1cccc(OCCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000822837173 606889745 /nfs/dbraw/zinc/88/97/45/606889745.db2.gz IICUDGVOWPJYTJ-UHFFFAOYSA-N 0 3 374.448 3.172 20 30 FGEDHN N#Cc1cccc(OCCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000822837173 606889747 /nfs/dbraw/zinc/88/97/47/606889747.db2.gz IICUDGVOWPJYTJ-UHFFFAOYSA-N 0 3 374.448 3.172 20 30 FGEDHN N#Cc1cccc(OCCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000822837173 606889749 /nfs/dbraw/zinc/88/97/49/606889749.db2.gz IICUDGVOWPJYTJ-UHFFFAOYSA-N 0 3 374.448 3.172 20 30 FGEDHN N#Cc1cccc(OCCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000822837173 606889751 /nfs/dbraw/zinc/88/97/51/606889751.db2.gz IICUDGVOWPJYTJ-UHFFFAOYSA-N 0 3 374.448 3.172 20 30 FGEDHN C=CC[N@@H+](CCc1cccc(F)c1F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903731 609514134 /nfs/dbraw/zinc/51/41/34/609514134.db2.gz IULQIYJIQSQDQW-UHFFFAOYSA-N 0 3 355.392 3.376 20 30 FGEDHN C=CC[N@H+](CCc1cccc(F)c1F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903731 609514137 /nfs/dbraw/zinc/51/41/37/609514137.db2.gz IULQIYJIQSQDQW-UHFFFAOYSA-N 0 3 355.392 3.376 20 30 FGEDHN C[C@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000120246449 700651196 /nfs/dbraw/zinc/65/11/96/700651196.db2.gz HJFVLTSGCOHNFK-HZMBPMFUSA-N 0 3 368.405 3.464 20 30 FGEDHN N#Cc1ccc2ncc(CNC[C@H](O)c3cc(Cl)cc(Cl)c3)n2c1 ZINC000123821215 700710361 /nfs/dbraw/zinc/71/03/61/700710361.db2.gz CZFAYHSSIKSZJH-INIZCTEOSA-N 0 3 361.232 3.336 20 30 FGEDHN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124666848 700723187 /nfs/dbraw/zinc/72/31/87/700723187.db2.gz BHUFQVULLQALQI-JQWIXIFHSA-N 0 3 355.221 3.092 20 30 FGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 ZINC000171719032 705393327 /nfs/dbraw/zinc/39/33/27/705393327.db2.gz KWGMIQBAJLYUNZ-BQYQJAHWSA-N 0 3 354.372 3.365 20 30 FGEDHN CC(C)c1nnc(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000177596603 705629779 /nfs/dbraw/zinc/62/97/79/705629779.db2.gz NKTJCOSGJGUGHK-CYBMUJFWSA-N 0 3 360.801 3.127 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccs2)n1 ZINC000193378491 712889145 /nfs/dbraw/zinc/88/91/45/712889145.db2.gz TYCPFKNUZYDVTH-ZDUSSCGKSA-N 0 3 361.492 3.429 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(Br)c2)cc1 ZINC000193446761 712891825 /nfs/dbraw/zinc/89/18/25/712891825.db2.gz MRHSQTHMHJACIM-HNNXBMFYSA-N 0 3 372.222 3.368 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)CC1 ZINC000521983416 714161622 /nfs/dbraw/zinc/16/16/22/714161622.db2.gz RSCOETRMPDCUTB-UHFFFAOYSA-N 0 3 359.543 3.285 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CC(C)(C)CO1 ZINC000631013478 716546488 /nfs/dbraw/zinc/54/64/88/716546488.db2.gz WOYKKJQZSPADCC-MRXNPFEDSA-N 0 3 364.559 3.400 20 30 FGEDHN C=CCOc1ccc(CNCc2ccnc(N3CCSCC3)c2)cc1 ZINC000631242262 716593669 /nfs/dbraw/zinc/59/36/69/716593669.db2.gz KCGGIYFEWJNPNQ-UHFFFAOYSA-N 0 3 355.507 3.489 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@H](C)c2cnc(C)s2)c(OC)c1 ZINC000634727478 717111225 /nfs/dbraw/zinc/11/12/25/717111225.db2.gz WEIZMRBBOFZHTK-CZUORRHYSA-N 0 3 362.495 3.279 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(Nc3nc(C)cs3)c2)CC1 ZINC000729336490 722458986 /nfs/dbraw/zinc/45/89/86/722458986.db2.gz LEXFYKLANQWWDY-UHFFFAOYSA-N 0 3 354.479 3.479 20 30 FGEDHN C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417595 722468244 /nfs/dbraw/zinc/46/82/44/722468244.db2.gz QMTITBHWQBERFC-JOYOIKCWSA-N 0 3 357.366 3.023 20 30 FGEDHN Cc1sc(=O)n(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1C ZINC000730418758 722468249 /nfs/dbraw/zinc/46/82/49/722468249.db2.gz ZNERIFJFAZNUOD-NSHDSACASA-N 0 3 361.423 3.152 20 30 FGEDHN CC(C)C(=O)N1CCC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417134 722468316 /nfs/dbraw/zinc/46/83/16/722468316.db2.gz LCCAIEHJMAGAJW-JSGCOSHPSA-N 0 3 359.426 3.259 20 30 FGEDHN C[C@H](NC(=O)C1CCCC1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422281 722468371 /nfs/dbraw/zinc/46/83/71/722468371.db2.gz VMMMHMXCUZXSFZ-GXFFZTMASA-N 0 3 359.426 3.307 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1CCSCC1 ZINC000733053866 722491750 /nfs/dbraw/zinc/49/17/50/722491750.db2.gz UEAYEWULNZFGHG-GFCCVEGCSA-N 0 3 366.870 3.448 20 30 FGEDHN C#CCN(C[C@@H]1CCOC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195308 722493722 /nfs/dbraw/zinc/49/37/22/722493722.db2.gz JJMJOUTYQMWODQ-XJKSGUPXSA-N 0 3 350.256 3.244 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCC1=NNC(=S)Nc1cccnc1 ZINC000734363175 722506433 /nfs/dbraw/zinc/50/64/33/722506433.db2.gz WGAPGIIHSQKAFR-HNNXBMFYSA-N 0 3 353.495 3.266 20 30 FGEDHN CCSc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2OC)ccn1 ZINC000755605062 722954830 /nfs/dbraw/zinc/95/48/30/722954830.db2.gz YLRSJOVBLZNOEO-ZDUSSCGKSA-N 0 3 355.419 3.163 20 30 FGEDHN CC(C)CO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000759400928 723003973 /nfs/dbraw/zinc/00/39/73/723003973.db2.gz IVIDLYFRGNLIEA-CABCVRRESA-N 0 3 357.479 3.219 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC(F)(F)C2)cc1Cl ZINC000796633224 723647707 /nfs/dbraw/zinc/64/77/07/723647707.db2.gz ZSHLBQIAVQTJMF-GXSJLCMTSA-N 0 3 356.756 3.431 20 30 FGEDHN CN(CC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(=O)OC(C)(C)C ZINC000797567025 723835524 /nfs/dbraw/zinc/83/55/24/723835524.db2.gz XHBUKFFYTAUOQG-NSHDSACASA-N 0 3 351.472 3.484 20 30 FGEDHN CCCCCCCS(=O)(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000799770001 724094239 /nfs/dbraw/zinc/09/42/39/724094239.db2.gz JLFIYBMGCPAPMN-UHFFFAOYSA-N 0 3 374.591 3.300 20 30 FGEDHN CN(C)c1ccncc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000776179780 724116164 /nfs/dbraw/zinc/11/61/64/724116164.db2.gz YCCYGDSUKORWBL-UHFFFAOYSA-N 0 3 358.858 3.230 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800410291 724193322 /nfs/dbraw/zinc/19/33/22/724193322.db2.gz UUIPSWOVXZRTND-NEPJUHHUSA-N 0 3 356.319 3.115 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@]2(CCSC2)C1 ZINC000778173458 724306811 /nfs/dbraw/zinc/30/68/11/724306811.db2.gz KPSJQQURQSFIAT-KBXCAEBGSA-N 0 3 351.899 3.496 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802043256 724354884 /nfs/dbraw/zinc/35/48/84/724354884.db2.gz VGRSLOFELJAEMZ-LPEHRKFASA-N 0 3 356.756 3.206 20 30 FGEDHN CCCCCCCCOCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000785809710 724938711 /nfs/dbraw/zinc/93/87/11/724938711.db2.gz DAJDFYSKJPTCMW-SFHVURJKSA-N 0 3 354.535 3.075 20 30 FGEDHN N#CC(C(=O)CCCc1cccs1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569895 724989334 /nfs/dbraw/zinc/98/93/34/724989334.db2.gz GZNIZBZVFWAWAH-AWEZNQCLSA-N 0 3 362.401 3.374 20 30 FGEDHN C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000788618839 725076441 /nfs/dbraw/zinc/07/64/41/725076441.db2.gz KNOYJUZEWGXWFW-UHFFFAOYSA-N 0 3 356.491 3.333 20 30 FGEDHN CCc1nocc1CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000815173772 727048267 /nfs/dbraw/zinc/04/82/67/727048267.db2.gz HKGYOGIRZXCIIV-ZDUSSCGKSA-N 0 3 354.435 3.155 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](OC)C2)cc1Cl ZINC000815910156 727106543 /nfs/dbraw/zinc/10/65/43/727106543.db2.gz QPCWXCVNSXCMRC-MRVWCRGKSA-N 0 3 364.829 3.201 20 30 FGEDHN C#CCN(C)CCCNC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000818606595 727316550 /nfs/dbraw/zinc/31/65/50/727316550.db2.gz YPODMHOQVFBYPA-NTCAYCPXSA-N 0 3 358.791 3.357 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)NCCN2CCCC2)s1 ZINC000819031846 727340102 /nfs/dbraw/zinc/34/01/02/727340102.db2.gz ABWWSGXWCMMKHK-UHFFFAOYSA-N 0 3 359.948 3.051 20 30 FGEDHN N#CCc1ccnc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000871719593 735538306 /nfs/dbraw/zinc/53/83/06/735538306.db2.gz YQPNVIVHPSIZBF-OAHLLOKOSA-N 0 3 355.467 3.168 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COCC2CCCC2)cc1Cl ZINC000835066328 729855049 /nfs/dbraw/zinc/85/50/49/729855049.db2.gz WFULPZZIKBUZAO-AWEZNQCLSA-N 0 3 364.829 3.203 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000836489154 729957510 /nfs/dbraw/zinc/95/75/10/729957510.db2.gz WSXZDYGDKGLBNC-CQSZACIVSA-N 0 3 355.404 3.363 20 30 FGEDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000841831251 730279762 /nfs/dbraw/zinc/27/97/62/730279762.db2.gz RQLZSZWNEXJJOX-UONOGXRCSA-N 0 3 354.479 3.179 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cnn(C)c1 ZINC000842288998 730481244 /nfs/dbraw/zinc/48/12/44/730481244.db2.gz NCHXIQQCQMPNBT-GXFFZTMASA-N 0 3 362.792 3.054 20 30 FGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCc1scnc1C)c1ccccc1 ZINC000842343303 730487707 /nfs/dbraw/zinc/48/77/07/730487707.db2.gz VMOFATYWWDOPOG-JKSUJKDBSA-N 0 3 355.463 3.361 20 30 FGEDHN C=CCN(Cc1cccs1)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000844267587 730696253 /nfs/dbraw/zinc/69/62/53/730696253.db2.gz HCDYPCTYCQCXEA-GOSISDBHSA-N 0 3 354.516 3.354 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000848459456 731166525 /nfs/dbraw/zinc/16/65/25/731166525.db2.gz LGFRCILNWXHVFP-LBPRGKRZSA-N 0 3 350.394 3.438 20 30 FGEDHN N#CC[C@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849272080 731239879 /nfs/dbraw/zinc/23/98/79/731239879.db2.gz AVVPFXGHMKGCPC-GOSISDBHSA-N 0 3 356.539 3.151 20 30 FGEDHN C=CCCSCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000849277593 731240804 /nfs/dbraw/zinc/24/08/04/731240804.db2.gz DYXWHZBIQABYNW-UHFFFAOYSA-N 0 3 363.596 3.424 20 30 FGEDHN C[C@H]1COC2(CCC2)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852443793 731583981 /nfs/dbraw/zinc/58/39/81/731583981.db2.gz MMJLBOSBRHYPSX-KBPBESRZSA-N 0 3 355.463 3.116 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000858403920 732211466 /nfs/dbraw/zinc/21/14/66/732211466.db2.gz LAKCVENZGFGKJV-SJORKVTESA-N 0 3 357.516 3.419 20 30 FGEDHN CC(C)[C@H](NC=O)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000860478675 732520022 /nfs/dbraw/zinc/52/00/22/732520022.db2.gz ZIOGFTWMYRITIP-MFKMUULPSA-N 0 3 369.368 3.262 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000865193226 733153893 /nfs/dbraw/zinc/15/38/93/733153893.db2.gz IABLJCCUZKLRPQ-UHFFFAOYSA-N 0 3 359.214 3.108 20 30 FGEDHN CCO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CCOCC1 ZINC000870379713 733845654 /nfs/dbraw/zinc/84/56/54/733845654.db2.gz DYRHZOKCKZIVHG-BBRMVZONSA-N 0 3 356.344 3.108 20 30 FGEDHN CC1(C)C[C@H](NCCNC(=O)C2N=CC=CC2=O)c2ccccc2S1 ZINC000872045495 735581298 /nfs/dbraw/zinc/58/12/98/735581298.db2.gz MZLLJSUTYYMQFL-DNZUHHBVSA-N 0 3 357.479 3.118 20 30 FGEDHN CC(C)N1C(=O)CC[C@H]1C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000873498908 735770286 /nfs/dbraw/zinc/77/02/86/735770286.db2.gz UCBDSTLCVKOULR-HOCLYGCPSA-N 0 3 353.447 3.386 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000876590681 736117991 /nfs/dbraw/zinc/11/79/91/736117991.db2.gz ZCKWCHPBQMTVEB-LJQANCHMSA-N 0 3 358.869 3.490 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000876602904 736119375 /nfs/dbraw/zinc/11/93/75/736119375.db2.gz XCXOAMVSBSGPGM-UKRRQHHQSA-N 0 3 354.878 3.377 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000876890818 736158422 /nfs/dbraw/zinc/15/84/22/736158422.db2.gz JYWLWERPSDKGQK-BBWFWOEESA-N 0 3 371.859 3.075 20 30 FGEDHN CC(C)(C)OC(=O)N1CC[C@H](CCNCc2cc(C#N)cnc2Cl)C1 ZINC000877015655 736175123 /nfs/dbraw/zinc/17/51/23/736175123.db2.gz YFPDFFZFNBJFEG-ZDUSSCGKSA-N 0 3 364.877 3.343 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC000877130491 736191339 /nfs/dbraw/zinc/19/13/39/736191339.db2.gz RPDSWPSKJIOWPU-CQSZACIVSA-N 0 3 357.679 3.112 20 30 FGEDHN C[C@H](CCCNC(=O)OC(C)(C)C)NCc1cc(C#N)cnc1Cl ZINC000877556195 736683207 /nfs/dbraw/zinc/68/32/07/736683207.db2.gz BPFQYZWNJZCJCC-GFCCVEGCSA-N 0 3 352.866 3.390 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCCOC(F)(F)F)CC2)c1 ZINC000878223521 736791626 /nfs/dbraw/zinc/79/16/26/736791626.db2.gz PYGHWAAKGGSPME-UHFFFAOYSA-N 0 3 355.360 3.135 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCC[C@@H]1Cc1ccccc1Cl)C2 ZINC000884102068 737633361 /nfs/dbraw/zinc/63/33/61/737633361.db2.gz QOHWPJAPVLEIFD-ZEVUXNIQSA-N 0 3 357.885 3.013 20 30 FGEDHN C#CCN(C(=O)c1ccc(OC(F)F)c(Cl)c1)C1CCN(C)CC1 ZINC000886572203 739270852 /nfs/dbraw/zinc/27/08/52/739270852.db2.gz CFQMTZSWBAXNJF-UHFFFAOYSA-N 0 3 356.800 3.111 20 30 FGEDHN C#CCN(C(=O)c1cc(Br)cn1C(C)C)C1CCN(C)CC1 ZINC000886580855 739271709 /nfs/dbraw/zinc/27/17/09/739271709.db2.gz AFCQEIGHNXGCMV-UHFFFAOYSA-N 0 3 366.303 3.001 20 30 FGEDHN C#CCN(C(=O)c1cc(Cl)ccc1Br)C1CCN(C)CC1 ZINC000886585230 739272396 /nfs/dbraw/zinc/27/23/96/739272396.db2.gz NIGRQYGNAKCOCJ-UHFFFAOYSA-N 0 3 369.690 3.272 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892496558 740006836 /nfs/dbraw/zinc/00/68/36/740006836.db2.gz JKQKQUAJASBMBJ-JALIKCBVSA-N 0 3 358.463 3.407 20 30 FGEDHN CC[C@@H](C)N[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)c1ccco1 ZINC000894764847 742329479 /nfs/dbraw/zinc/32/94/79/742329479.db2.gz WDPLVSXGIBVWTP-CJNGLKHVSA-N 0 3 360.483 3.484 20 30 FGEDHN C#CCN(C(=S)Nc1ccc(OC(F)(F)F)cc1)C1CCN(C)CC1 ZINC000899613593 742988194 /nfs/dbraw/zinc/98/81/94/742988194.db2.gz HMXCMUQEFDUTHD-UHFFFAOYSA-N 0 3 371.428 3.311 20 30 FGEDHN C=CCC[C@H](NCc1ccccc1S(C)(=O)=O)[C@]1(C)CCCCO1 ZINC000903019305 743797971 /nfs/dbraw/zinc/79/79/71/743797971.db2.gz MUPHTNWNXLDGQN-OALUTQOASA-N 0 3 351.512 3.474 20 30 FGEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCO[C@H]3C(=C)C)CC[C@@H]2C1 ZINC000946813160 762261695 /nfs/dbraw/zinc/26/16/95/762261695.db2.gz LBWIWXLECMJUMS-RDGPPVDQSA-N 0 3 366.933 3.281 20 30 FGEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000912425641 757324817 /nfs/dbraw/zinc/32/48/17/757324817.db2.gz IQWXNDVVUJHWKF-QGZVFWFLSA-N 0 3 359.857 3.172 20 30 FGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cc1csc(C)n1 ZINC000916903280 758152546 /nfs/dbraw/zinc/15/25/46/758152546.db2.gz MJQANDKXIKJAGF-MRXNPFEDSA-N 0 3 355.463 3.466 20 30 FGEDHN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000916909445 758153690 /nfs/dbraw/zinc/15/36/90/758153690.db2.gz BNUAUQQUXACQQY-KBPBESRZSA-N 0 3 358.829 3.452 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)COc1cccc(Cl)c1 ZINC000916930024 758155440 /nfs/dbraw/zinc/15/54/40/758155440.db2.gz RMRJEGFIKBGPCL-AWEZNQCLSA-N 0 3 358.781 3.075 20 30 FGEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cc(C#N)ccc2Br)C1 ZINC000922238317 758877957 /nfs/dbraw/zinc/87/79/57/758877957.db2.gz BWEXGGAYPBEHQF-JZKQVHKSSA-N 0 3 355.301 3.100 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)OCC)cc2Cl)CC1 ZINC000932141169 761066360 /nfs/dbraw/zinc/06/63/60/761066360.db2.gz SNWANNGLYRSILI-UHFFFAOYSA-N 0 3 365.861 3.289 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCOc3ccc(Br)cc32)CCC1 ZINC000932209507 761088681 /nfs/dbraw/zinc/08/86/81/761088681.db2.gz ADWBCXGWBWMNGO-DZGCQCFKSA-N 0 3 365.271 3.307 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)c(Cl)c(C(=O)OC)c2)CC1 ZINC000934779752 761716721 /nfs/dbraw/zinc/71/67/21/761716721.db2.gz YYKBNTRNQKDROE-UHFFFAOYSA-N 0 3 369.824 3.038 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000971555859 762912709 /nfs/dbraw/zinc/91/27/09/762912709.db2.gz LJUJBCSNWHZXBZ-OTWHNJEPSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(Cc2cc(C)sc2C)CC1(C)C ZINC000975057549 763086202 /nfs/dbraw/zinc/08/62/02/763086202.db2.gz QBWUTOJPZAMNQF-SQNIBIBYSA-N 0 3 362.539 3.283 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC000990740743 764560106 /nfs/dbraw/zinc/56/01/06/764560106.db2.gz LJUTZPPCAPLFAK-RMJJICAUSA-N 0 3 360.523 3.343 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1N(Cc1csc(C)c1)CC2 ZINC000992242400 764592152 /nfs/dbraw/zinc/59/21/52/764592152.db2.gz RKKSLSRJYDXLFM-LXZJYRNTSA-N 0 3 360.523 3.261 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CCN(Cc2ccsc2)CC1 ZINC000997098000 765044889 /nfs/dbraw/zinc/04/48/89/765044889.db2.gz OODGEAKYGRZGSC-LZQZEXGQSA-N 0 3 362.539 3.446 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001007361379 765588064 /nfs/dbraw/zinc/58/80/64/765588064.db2.gz XJELXNPTAKSLMH-QRVBRYPASA-N 0 3 362.539 3.243 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cc(C)sc1C ZINC001027888234 766103360 /nfs/dbraw/zinc/10/33/60/766103360.db2.gz JOKIAULJLLZYOA-OTWHNJEPSA-N 0 3 362.539 3.427 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccc(C)cc2Cl)C1 ZINC001028810000 766133116 /nfs/dbraw/zinc/13/31/16/766133116.db2.gz SULILDRXIDECCS-SUMDDJOVSA-N 0 3 362.901 3.178 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2C)C1 ZINC001028809618 766133557 /nfs/dbraw/zinc/13/35/57/766133557.db2.gz LMKXEZICNMXVED-IPELMVKDSA-N 0 3 362.901 3.178 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccsc1 ZINC001049778474 766810969 /nfs/dbraw/zinc/81/09/69/766810969.db2.gz OLBRGPCOYZUQHA-MANSERQUSA-N 0 3 360.523 3.295 20 30 FGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)CC1 ZINC001050563180 766847027 /nfs/dbraw/zinc/84/70/27/766847027.db2.gz HSMMUYWFYJWLHG-CVEARBPZSA-N 0 3 356.432 3.303 20 30 FGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C2 ZINC001054154874 766999086 /nfs/dbraw/zinc/99/90/86/766999086.db2.gz XJTCDKCQERRASF-RYRKJORJSA-N 0 3 356.432 3.303 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCc3ccccc3C1)CCC2 ZINC000022197456 210156585 /nfs/dbraw/zinc/15/65/85/210156585.db2.gz OSZWAOJPVAJSLC-UHFFFAOYSA-N 0 3 351.475 3.495 20 30 FGEDHN CN(Cc1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cn1 ZINC000579608509 505586474 /nfs/dbraw/zinc/58/64/74/505586474.db2.gz VJDNXSQOXZWLJH-VXKWHMMOSA-N 0 3 374.492 3.095 20 30 FGEDHN C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)N1[C@H](C)CC[C@@H]1C ZINC000591183445 507145708 /nfs/dbraw/zinc/14/57/08/507145708.db2.gz ZAKGYNBKYLFFGH-IATRGZMQSA-N 0 3 364.287 3.391 20 30 FGEDHN CN(CCCn1c2ccccc2[nH]c1=O)CCOCc1ccc(C#N)cc1 ZINC000568133530 505624310 /nfs/dbraw/zinc/62/43/10/505624310.db2.gz CAXLEIUHCQYPPC-UHFFFAOYSA-N 0 3 364.449 3.152 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C12CCCCC2 ZINC000577001550 505642887 /nfs/dbraw/zinc/64/28/87/505642887.db2.gz QPRSMIHRLCDFAV-IAGOWNOFSA-N 0 3 359.470 3.424 20 30 FGEDHN C=CCn1c(COCC)nnc1N(C)C1CCN(Cc2ccccc2)CC1 ZINC000571127413 505659352 /nfs/dbraw/zinc/65/93/52/505659352.db2.gz RURNPMXOMJPSIB-UHFFFAOYSA-N 0 3 369.513 3.101 20 30 FGEDHN CC(C)N1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000068777913 493871935 /nfs/dbraw/zinc/87/19/35/493871935.db2.gz SRPICCDNQKFASG-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000030153763 493878265 /nfs/dbraw/zinc/87/82/65/493878265.db2.gz HBRSQZIHCDYUND-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN COc1ccc(OC)c(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068991617 493903752 /nfs/dbraw/zinc/90/37/52/493903752.db2.gz HILIXFXBTCZRAV-KRWDZBQOSA-N 0 3 369.440 3.473 20 30 FGEDHN CCn1c(C)cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000060575982 493946898 /nfs/dbraw/zinc/94/68/98/493946898.db2.gz CFDBQDKYJYKKTL-UHFFFAOYSA-N 0 3 352.482 3.201 20 30 FGEDHN COc1ccccc1[C@@H]1CCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000069610719 493987248 /nfs/dbraw/zinc/98/72/48/493987248.db2.gz VJKKUBIKJPTEFQ-RXVVDRJESA-N 0 3 366.461 3.338 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H](OCC)C2CCCC2)CC1 ZINC000083216801 494008876 /nfs/dbraw/zinc/00/88/76/494008876.db2.gz QWGTWKXAZBPOGU-IBGZPJMESA-N 0 3 351.535 3.312 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(c3ccccc3Cl)CC2)c1 ZINC000571277900 505696295 /nfs/dbraw/zinc/69/62/95/505696295.db2.gz ZUUJSUDNPJQGIF-UHFFFAOYSA-N 0 3 374.893 3.307 20 30 FGEDHN COCCN(CCC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063753795 494083725 /nfs/dbraw/zinc/08/37/25/494083725.db2.gz ZHHFVDFPKGOPJA-UHFFFAOYSA-N 0 3 355.413 3.175 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000571319819 505705736 /nfs/dbraw/zinc/70/57/36/505705736.db2.gz AGNGHALNZQHXAK-OAQYLSRUSA-N 0 3 362.477 3.216 20 30 FGEDHN CN(C)[C@@H](CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccco1 ZINC000072726092 494241527 /nfs/dbraw/zinc/24/15/27/494241527.db2.gz XSWOGRLDKNUZNJ-IBGZPJMESA-N 0 3 363.465 3.449 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN(CCc2cccc(F)c2)C2CC2)cc1 ZINC000073166808 494331321 /nfs/dbraw/zinc/33/13/21/494331321.db2.gz CIBVQQUJQVLNIB-OAQYLSRUSA-N 0 3 368.452 3.339 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2ncccc21 ZINC000078675767 494341720 /nfs/dbraw/zinc/34/17/20/494341720.db2.gz JGAYUEVEOMGFJZ-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN COCCN(CCN(C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066955302 494444862 /nfs/dbraw/zinc/44/48/62/494444862.db2.gz FGKNXPJEBWDWNG-HNNXBMFYSA-N 0 3 364.515 3.123 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCc2ccc(O)cc2C1)C(C)C ZINC000079440334 494455357 /nfs/dbraw/zinc/45/53/57/494455357.db2.gz OOFUGLDTYAPZQL-HXUWFJFHSA-N 0 3 357.498 3.159 20 30 FGEDHN N#Cc1ccc(NC(=O)CNC2(c3ccccc3)CCOCC2)cc1Cl ZINC000074319392 494517573 /nfs/dbraw/zinc/51/75/73/494517573.db2.gz MOILVPHCPJPYEH-UHFFFAOYSA-N 0 3 369.852 3.446 20 30 FGEDHN COC(=O)[C@@H](C)[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000079922345 494550629 /nfs/dbraw/zinc/55/06/29/494550629.db2.gz IRHKPKODZPKZTQ-YWZLYKJASA-N 0 3 365.433 3.027 20 30 FGEDHN C#Cc1cccc(N(CC)C(=O)c2cnn(CCN3CCCCC3)c2)c1 ZINC000074565710 494560330 /nfs/dbraw/zinc/56/03/30/494560330.db2.gz LBZHJVGIGFYFHB-UHFFFAOYSA-N 0 3 350.466 3.017 20 30 FGEDHN C=CCOc1ccc(CN(CCN(C)C)C[C@H]2CCCO2)cc1Cl ZINC000574240442 505728108 /nfs/dbraw/zinc/72/81/08/505728108.db2.gz NZWLSJXITJRREP-QGZVFWFLSA-N 0 3 352.906 3.447 20 30 FGEDHN COc1ccc([C@H](NC[C@@H](O)COc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000023677795 494575369 /nfs/dbraw/zinc/57/53/69/494575369.db2.gz ZEMRDJZVQHIGTB-DENIHFKCSA-N 0 3 368.477 3.488 20 30 FGEDHN N#Cc1cc(F)c(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c(F)c1 ZINC000126084922 494631989 /nfs/dbraw/zinc/63/19/89/494631989.db2.gz KQEJEJWXSSQICH-HNNXBMFYSA-N 0 3 353.372 3.461 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)c2cccc(C#N)c2)o1 ZINC000074918247 494648222 /nfs/dbraw/zinc/64/82/22/494648222.db2.gz SVZUMRDRPMISEA-MRXNPFEDSA-N 0 3 354.454 3.294 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000121245891 494664776 /nfs/dbraw/zinc/66/47/76/494664776.db2.gz KOZUYQNWQKHDGQ-PMACEKPBSA-N 0 3 357.498 3.246 20 30 FGEDHN CN1CCC(CNc2snc(Cl)c2C#N)(N2CCCCC2)CC1 ZINC000092657957 494700361 /nfs/dbraw/zinc/70/03/61/494700361.db2.gz DZPBEZLVCRIYAD-UHFFFAOYSA-N 0 3 353.923 3.030 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@@H](C(=O)NCCC)C2)ccc1OC ZINC000092734486 494730659 /nfs/dbraw/zinc/73/06/59/494730659.db2.gz RZILEFJKQAFYIT-GOSISDBHSA-N 0 3 360.498 3.388 20 30 FGEDHN CC(C)(CNC(=O)CCc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000025463685 494744162 /nfs/dbraw/zinc/74/41/62/494744162.db2.gz ARLXJHTYPWCUHI-UHFFFAOYSA-N 0 3 361.489 3.444 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)COc1ccccc1C#N ZINC000131845061 494750698 /nfs/dbraw/zinc/75/06/98/494750698.db2.gz AUEPETOZNMXEMW-SFHVURJKSA-N 0 3 363.461 3.060 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000047740350 494767190 /nfs/dbraw/zinc/76/71/90/494767190.db2.gz JVCGCOSSICWLRN-NRFANRHFSA-N 0 3 363.461 3.276 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1F ZINC000047740463 494768594 /nfs/dbraw/zinc/76/85/94/494768594.db2.gz RGVQPASZDISPJR-FQEVSTJZSA-N 0 3 356.441 3.487 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc3ccn(CCOC)c3c2)CC1 ZINC000092838631 494769016 /nfs/dbraw/zinc/76/90/16/494769016.db2.gz VMDGOVGJSIGMDA-UHFFFAOYSA-N 0 3 356.470 3.060 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000047937680 494797298 /nfs/dbraw/zinc/79/72/98/494797298.db2.gz WIYWKSPSMLAGEQ-FQEVSTJZSA-N 0 3 350.466 3.223 20 30 FGEDHN C=CCC[C@H](O)CN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000132099682 494819725 /nfs/dbraw/zinc/81/97/25/494819725.db2.gz NBVJKZDMGVIODG-KRWDZBQOSA-N 0 3 350.528 3.392 20 30 FGEDHN C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000093128627 494829204 /nfs/dbraw/zinc/82/92/04/494829204.db2.gz BUOXBANIJDCXHU-INIZCTEOSA-N 0 3 363.465 3.230 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134045 494831085 /nfs/dbraw/zinc/83/10/85/494831085.db2.gz ISSMZJLNMOXJCQ-SFHVURJKSA-N 0 3 365.481 3.286 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000093663900 494910456 /nfs/dbraw/zinc/91/04/56/494910456.db2.gz MAAUDUGHKHDEPF-KRWDZBQOSA-N 0 3 350.890 3.059 20 30 FGEDHN C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000110350523 494971418 /nfs/dbraw/zinc/97/14/18/494971418.db2.gz WVYGMTOGXTYECS-QGZVFWFLSA-N 0 3 367.518 3.428 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000122535284 494990139 /nfs/dbraw/zinc/99/01/39/494990139.db2.gz ZMLWLACOZAIRSQ-UHFFFAOYSA-N 0 3 365.271 3.050 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCn1cccn1 ZINC000111283312 495058432 /nfs/dbraw/zinc/05/84/32/495058432.db2.gz ZIBFPTBDQJINTK-UHFFFAOYSA-N 0 3 371.510 3.046 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000128307274 495076760 /nfs/dbraw/zinc/07/67/60/495076760.db2.gz CUGMYPOWZCKDOB-QRWLVFNGSA-N 0 3 366.440 3.017 20 30 FGEDHN C[C@@H](CCS(C)(=O)=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000134575670 495170177 /nfs/dbraw/zinc/17/01/77/495170177.db2.gz DWIMEDDXNJWRGL-INIZCTEOSA-N 0 3 372.490 3.050 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134886584 495215355 /nfs/dbraw/zinc/21/53/55/495215355.db2.gz NULNGEVMYGXEBY-DNVCBOLYSA-N 0 3 372.900 3.099 20 30 FGEDHN CC1(C)CCCC[C@@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000119896360 495264604 /nfs/dbraw/zinc/26/46/04/495264604.db2.gz XQIWCSZCVAJLTQ-KRWDZBQOSA-N 0 3 351.454 3.241 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)COc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000129885091 495310767 /nfs/dbraw/zinc/31/07/67/495310767.db2.gz YDCWBRUULXKXHJ-OXJNMPFZSA-N 0 3 369.490 3.198 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@]2(C)CCOC2)cc1OC ZINC000120123971 495311702 /nfs/dbraw/zinc/31/17/02/495311702.db2.gz RNCKJQNQSMNPDA-INIZCTEOSA-N 0 3 356.260 3.291 20 30 FGEDHN CCCN1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000114463422 495378478 /nfs/dbraw/zinc/37/84/78/495378478.db2.gz WDLBVCWDPRJJQB-KRWDZBQOSA-N 0 3 374.554 3.437 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114644398 495404317 /nfs/dbraw/zinc/40/43/17/495404317.db2.gz INIQPSCANLYYIV-PXNSSMCTSA-N 0 3 363.461 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccc(OC)cc3nc2C)CC1 ZINC000106038094 495406046 /nfs/dbraw/zinc/40/60/46/495406046.db2.gz JINFAXYZWUBGDU-UHFFFAOYSA-N 0 3 353.466 3.322 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)N(C)C1CC1 ZINC000114686183 495408914 /nfs/dbraw/zinc/40/89/14/495408914.db2.gz LYMOICJWSKKSOL-INIZCTEOSA-N 0 3 363.461 3.350 20 30 FGEDHN Cc1cc(N2CCC(N(C)CC#Cc3ccc(F)cc3)CC2)nc(C)n1 ZINC000125302179 495422994 /nfs/dbraw/zinc/42/29/94/495422994.db2.gz CORZOMZYSPCRDU-UHFFFAOYSA-N 0 3 352.457 3.185 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000106252904 495439775 /nfs/dbraw/zinc/43/97/75/495439775.db2.gz WVWJUVDWHVEMGK-UHFFFAOYSA-N 0 3 352.822 3.410 20 30 FGEDHN COCCN1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000138592454 495464388 /nfs/dbraw/zinc/46/43/88/495464388.db2.gz BCLLFNGEYGQMQE-UHFFFAOYSA-N 0 3 363.461 3.066 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCc3ccccc3[C@@H]2CO)cc1Cl ZINC000130935663 495468949 /nfs/dbraw/zinc/46/89/49/495468949.db2.gz NVDZJESYSURZSF-IBGZPJMESA-N 0 3 369.852 3.132 20 30 FGEDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000130958548 495472144 /nfs/dbraw/zinc/47/21/44/495472144.db2.gz VHLZCKYCTGFWNC-GOSISDBHSA-N 0 3 353.422 3.463 20 30 FGEDHN CCN1CCC[C@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115321338 495490299 /nfs/dbraw/zinc/49/02/99/495490299.db2.gz BUBCCYHTDKODFC-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN CCN(CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CC1 ZINC000115362209 495494659 /nfs/dbraw/zinc/49/46/59/495494659.db2.gz ZZNRXFARMBCWLZ-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@@H](O)[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000106864900 495502116 /nfs/dbraw/zinc/50/21/16/495502116.db2.gz HYLFGMQEUSTJQY-CJNGLKHVSA-N 0 3 361.511 3.062 20 30 FGEDHN COc1ccc(CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC(C)(C)C)cc1 ZINC000115550126 495515460 /nfs/dbraw/zinc/51/54/60/495515460.db2.gz HMRLHNLJHUHSTH-QFIPXVFZSA-N 0 3 371.525 3.394 20 30 FGEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000150135721 495606588 /nfs/dbraw/zinc/60/65/88/495606588.db2.gz KKLHUTGCVKBKMO-GOSISDBHSA-N 0 3 365.433 3.049 20 30 FGEDHN Cc1nnc(-c2ccccc2C(=O)C(C#N)c2nc3ccccc3n2C)o1 ZINC000182561812 495615427 /nfs/dbraw/zinc/61/54/27/495615427.db2.gz YVEMBSNLGZCQGE-OAHLLOKOSA-N 0 3 357.373 3.422 20 30 FGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c[nH]c(C#N)c1 ZINC000182565480 495619105 /nfs/dbraw/zinc/61/91/05/495619105.db2.gz OCSLPSJAJLYJAW-LJQANCHMSA-N 0 3 374.448 3.091 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000185664260 495668788 /nfs/dbraw/zinc/66/87/88/495668788.db2.gz VDNBFVPXQWSOBA-VQIMIIECSA-N 0 3 357.498 3.394 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000176499594 495675124 /nfs/dbraw/zinc/67/51/24/495675124.db2.gz NDDJKTOHIYYAJU-QGZVFWFLSA-N 0 3 367.497 3.273 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccccc1F ZINC000170998360 495682242 /nfs/dbraw/zinc/68/22/42/495682242.db2.gz IACJMFXGDFEEOV-MRXNPFEDSA-N 0 3 353.441 3.391 20 30 FGEDHN CC(C)[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000171123844 495734131 /nfs/dbraw/zinc/73/41/31/495734131.db2.gz BFLHREXLYKNWKL-NRFANRHFSA-N 0 3 365.433 3.255 20 30 FGEDHN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000173937686 495754198 /nfs/dbraw/zinc/75/41/98/495754198.db2.gz PPZFBSIPUWZFEO-MRXNPFEDSA-N 0 3 369.490 3.194 20 30 FGEDHN C=CCC[C@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccccc1 ZINC000185879797 495762620 /nfs/dbraw/zinc/76/26/20/495762620.db2.gz YTYHZPGTHGUINK-ICSRJNTNSA-N 0 3 358.530 3.019 20 30 FGEDHN CS(=O)(=O)Cc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000171246730 495786987 /nfs/dbraw/zinc/78/69/87/495786987.db2.gz QAUBGUKPYMJPDD-UHFFFAOYSA-N 0 3 372.490 3.204 20 30 FGEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)C1(c2ccccc2)CCCC1 ZINC000185949828 495794226 /nfs/dbraw/zinc/79/42/26/495794226.db2.gz FXPKBFONLSGCBU-GOSISDBHSA-N 0 3 352.482 3.132 20 30 FGEDHN COc1ccc(NC(=O)C[C@H](C)NCc2cccc(C#N)c2)c(OC)c1 ZINC000151370929 495817588 /nfs/dbraw/zinc/81/75/88/495817588.db2.gz ANGTZOYIZKCJES-AWEZNQCLSA-N 0 3 353.422 3.082 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000151412022 495831913 /nfs/dbraw/zinc/83/19/13/495831913.db2.gz OAHUVCHPLBWSQE-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN Cn1cc(CNC[C@@H](O)c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180041957 495834507 /nfs/dbraw/zinc/83/45/07/495834507.db2.gz BRZHXTKJWFEUMK-LJQANCHMSA-N 0 3 366.852 3.435 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1OC ZINC000180144900 495879055 /nfs/dbraw/zinc/87/90/55/495879055.db2.gz XZJNEMYZJLVMNV-RXVVDRJESA-N 0 3 366.461 3.435 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000155221401 495881222 /nfs/dbraw/zinc/88/12/22/495881222.db2.gz IMIWGFLHFJQRBE-VQTJNVASSA-N 0 3 369.509 3.342 20 30 FGEDHN COc1cccc2c1OC[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000180164606 495888643 /nfs/dbraw/zinc/88/86/43/495888643.db2.gz JKSHDDJETDBLIE-LJQANCHMSA-N 0 3 374.444 3.061 20 30 FGEDHN CCCCNC(=O)c1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000174269364 495888883 /nfs/dbraw/zinc/88/88/83/495888883.db2.gz CJOPPUHJWJWMIX-UHFFFAOYSA-N 0 3 351.450 3.387 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000151664298 495911747 /nfs/dbraw/zinc/91/17/47/495911747.db2.gz ITYSQVOIYFFQAM-SFHVURJKSA-N 0 3 355.388 3.403 20 30 FGEDHN Cn1cc(CNC[C@@](C)(O)c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000180235795 495919317 /nfs/dbraw/zinc/91/93/17/495919317.db2.gz WFOKOZFOTXKMPK-LJQANCHMSA-N 0 3 352.463 3.018 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000580679876 505812004 /nfs/dbraw/zinc/81/20/04/505812004.db2.gz UEOJFJWJPCOJJI-FXAWDEMLSA-N 0 3 356.510 3.483 20 30 FGEDHN Cn1cc(CNCCOc2ccc(Cl)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000180295707 495939671 /nfs/dbraw/zinc/93/96/71/495939671.db2.gz JRODPVKHRQGVEG-UHFFFAOYSA-N 0 3 367.840 3.176 20 30 FGEDHN COc1cc(OC)c(NC(=O)C(C#N)c2nc(C)cs2)cc1Cl ZINC000155403130 495947236 /nfs/dbraw/zinc/94/72/36/495947236.db2.gz LZMQYDTXMFFIKF-VIFPVBQESA-N 0 3 351.815 3.368 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183367355 495949766 /nfs/dbraw/zinc/94/97/66/495949766.db2.gz ATVSNSNAOXZVHE-MRXNPFEDSA-N 0 3 359.426 3.241 20 30 FGEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccccc1N1CCOCC1 ZINC000155448398 495960141 /nfs/dbraw/zinc/96/01/41/495960141.db2.gz KUKQGIJZKWIQRP-UHFFFAOYSA-N 0 3 365.477 3.296 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)C1(C#N)CCCC1)c1ccccc1O2 ZINC000174467249 495972208 /nfs/dbraw/zinc/97/22/08/495972208.db2.gz BSQYYDJXIHNLIK-KRWDZBQOSA-N 0 3 353.466 3.175 20 30 FGEDHN CC(C)(CCc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000151938043 495998448 /nfs/dbraw/zinc/99/84/48/495998448.db2.gz QIUOQHOLKKRECB-UHFFFAOYSA-N 0 3 356.491 3.333 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000171736562 496013530 /nfs/dbraw/zinc/01/35/30/496013530.db2.gz ZRLPUQUHMDNKAK-UHFFFAOYSA-N 0 3 364.440 3.337 20 30 FGEDHN COC(=O)COc1c(C)cc(CNCc2ccc(OCC#N)cc2)cc1C ZINC000171769309 496029453 /nfs/dbraw/zinc/02/94/53/496029453.db2.gz UPVSYBRNQXCGLX-UHFFFAOYSA-N 0 3 368.433 3.047 20 30 FGEDHN N#Cc1ncc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1Cl ZINC000577936508 505822385 /nfs/dbraw/zinc/82/23/85/505822385.db2.gz MYELNRJURRIOJT-MRXNPFEDSA-N 0 3 369.856 3.393 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000174666941 496052438 /nfs/dbraw/zinc/05/24/38/496052438.db2.gz DLVOFUFGJWZBKH-OAQYLSRUSA-N 0 3 355.526 3.198 20 30 FGEDHN C[C@H]1CN(CCC2CCN(Cc3cc(F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000160982647 496078917 /nfs/dbraw/zinc/07/89/17/496078917.db2.gz IDTQNELPJOWVEY-IRXDYDNUSA-N 0 3 359.489 3.409 20 30 FGEDHN C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000183728720 496095598 /nfs/dbraw/zinc/09/55/98/496095598.db2.gz KDHDFZHBTLMITG-OAHLLOKOSA-N 0 3 351.406 3.396 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCC[C@@H]2CN2CCCC2)c2ccccc21 ZINC000174848199 496132165 /nfs/dbraw/zinc/13/21/65/496132165.db2.gz MCXUNJZXKINLBO-GOSISDBHSA-N 0 3 364.493 3.298 20 30 FGEDHN COc1cccc(OCCN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000152482658 496163865 /nfs/dbraw/zinc/16/38/65/496163865.db2.gz TVVUUZSOTMCQPS-UHFFFAOYSA-N 0 3 352.434 3.489 20 30 FGEDHN C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccncc1 ZINC000156192026 496182676 /nfs/dbraw/zinc/18/26/76/496182676.db2.gz OCQBLYGDAOIBJG-QGZVFWFLSA-N 0 3 350.466 3.037 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180897405 496190626 /nfs/dbraw/zinc/19/06/26/496190626.db2.gz AUZZPTLUCUFNAZ-SJORKVTESA-N 0 3 350.466 3.407 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000161681219 496220755 /nfs/dbraw/zinc/22/07/55/496220755.db2.gz FDEUKBMREDQZGX-UHFFFAOYSA-N 0 3 365.481 3.220 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000156658611 496305194 /nfs/dbraw/zinc/30/51/94/496305194.db2.gz ZIYDOFMMPQFFMR-OAQYLSRUSA-N 0 3 358.482 3.377 20 30 FGEDHN Cc1oc(NC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(C#N)c1C ZINC000181205785 496312050 /nfs/dbraw/zinc/31/20/50/496312050.db2.gz ZINBXLDREALYHB-LPHOPBHVSA-N 0 3 367.449 3.464 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(C)n1 ZINC000175274296 496317820 /nfs/dbraw/zinc/31/78/20/496317820.db2.gz GNJKCHUFKZKNTF-LJQANCHMSA-N 0 3 362.477 3.246 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000181256201 496330143 /nfs/dbraw/zinc/33/01/43/496330143.db2.gz ZWKRPCQTKRDFTN-UHFFFAOYSA-N 0 3 363.483 3.476 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H]1CCOc2ccc(OC)cc21 ZINC000571910635 505844188 /nfs/dbraw/zinc/84/41/88/505844188.db2.gz OKCLKWAUKRITKG-PXNSSMCTSA-N 0 3 369.461 3.277 20 30 FGEDHN CCCOc1ncccc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181580981 496455361 /nfs/dbraw/zinc/45/53/61/496455361.db2.gz WQQVGUAMRBRRDR-UHFFFAOYSA-N 0 3 364.493 3.496 20 30 FGEDHN Cn1cc(CNCc2ccc(C(C)(C)O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000187497921 496466279 /nfs/dbraw/zinc/46/62/79/496466279.db2.gz LGGZWDZLKUPFLQ-UHFFFAOYSA-N 0 3 360.461 3.476 20 30 FGEDHN COc1ccc(F)cc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000187592782 496502662 /nfs/dbraw/zinc/50/26/62/496502662.db2.gz DKLMNOOYAFUCED-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C2CCOCC2)CC1 ZINC000153608894 496517029 /nfs/dbraw/zinc/51/70/29/496517029.db2.gz VUCPPGWBKNKJLU-NRFANRHFSA-N 0 3 359.510 3.293 20 30 FGEDHN Cc1cccc2nc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)cn21 ZINC000181732059 496522618 /nfs/dbraw/zinc/52/26/18/496522618.db2.gz YLCKNEXJNRGFIG-UHFFFAOYSA-N 0 3 359.477 3.269 20 30 FGEDHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000181825134 496561138 /nfs/dbraw/zinc/56/11/38/496561138.db2.gz VTUNMHFPAZDCCD-AWEZNQCLSA-N 0 3 352.394 3.454 20 30 FGEDHN COc1cc(CNC[C@@H](O)COc2ccccc2C(C)C)ccc1C#N ZINC000578065167 505853578 /nfs/dbraw/zinc/85/35/78/505853578.db2.gz MPKCXJXGWLFKQI-GOSISDBHSA-N 0 3 354.450 3.220 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184984861 496611240 /nfs/dbraw/zinc/61/12/40/496611240.db2.gz LYKCPXWJUGSQCZ-LSDHHAIUSA-N 0 3 352.400 3.364 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000188022972 496655422 /nfs/dbraw/zinc/65/54/22/496655422.db2.gz QZEZFIROAHTOCK-KRWDZBQOSA-N 0 3 371.525 3.277 20 30 FGEDHN CCc1nn(C)c(CC)c1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182073500 496659628 /nfs/dbraw/zinc/65/96/28/496659628.db2.gz TVFSWGAQJZDPAY-UHFFFAOYSA-N 0 3 365.525 3.171 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000167033772 496697131 /nfs/dbraw/zinc/69/71/31/496697131.db2.gz ZUFOUCNNYMXDBR-HZPDHXFCSA-N 0 3 372.469 3.182 20 30 FGEDHN N#Cc1cccc(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)c1 ZINC000182290980 496726916 /nfs/dbraw/zinc/72/69/16/496726916.db2.gz FWDZSHYUCSVLBT-UHFFFAOYSA-N 0 3 363.461 3.005 20 30 FGEDHN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000182354643 496731093 /nfs/dbraw/zinc/73/10/93/496731093.db2.gz XMOVGYOVROSMBG-IHPCNDPISA-N 0 3 357.498 3.486 20 30 FGEDHN N#CCOc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000263920518 496763942 /nfs/dbraw/zinc/76/39/42/496763942.db2.gz MFUYRPHHBWCGTM-UHFFFAOYSA-N 0 3 363.461 3.117 20 30 FGEDHN COC[C@H](Cc1ccccc1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000191480020 496777548 /nfs/dbraw/zinc/77/75/48/496777548.db2.gz LBXDKHDKYFNQJG-FQEVSTJZSA-N 0 3 351.450 3.076 20 30 FGEDHN N#CCCN(Cc1ccccn1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264084253 496808875 /nfs/dbraw/zinc/80/88/75/496808875.db2.gz QXTQNIXDWMWQSL-UHFFFAOYSA-N 0 3 362.477 3.236 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(C#N)cc1 ZINC000195233841 496856122 /nfs/dbraw/zinc/85/61/22/496856122.db2.gz BPSSZHDVPFNPMB-NRFANRHFSA-N 0 3 362.477 3.009 20 30 FGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ncccc1OCCCC#N ZINC000188674736 496872774 /nfs/dbraw/zinc/87/27/74/496872774.db2.gz HYGYWQKDAHSVHS-JKSUJKDBSA-N 0 3 359.474 3.006 20 30 FGEDHN COc1cc(-c2noc(C3(C#N)CCCCC3)n2)ccc1OCCN(C)C ZINC000273795894 496910573 /nfs/dbraw/zinc/91/05/73/496910573.db2.gz UBWXBQLIHYMNIO-UHFFFAOYSA-N 0 3 370.453 3.411 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000191889142 496921197 /nfs/dbraw/zinc/92/11/97/496921197.db2.gz NLRPIZSPWHLDEV-CTNGQTDRSA-N 0 3 368.502 3.333 20 30 FGEDHN N#CCOc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000264535353 496922799 /nfs/dbraw/zinc/92/27/99/496922799.db2.gz FXCSZIXQIQSFTL-UHFFFAOYSA-N 0 3 374.444 3.311 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2sccc2[nH]1 ZINC000191989949 496955781 /nfs/dbraw/zinc/95/57/81/496955781.db2.gz IVWAEYRPGSNVBC-UHFFFAOYSA-N 0 3 352.463 3.305 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000192157396 497016624 /nfs/dbraw/zinc/01/66/24/497016624.db2.gz GGILFUVAQQJALS-HKUYNNGSSA-N 0 3 357.816 3.412 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@H]2COc3ccccc32)c(C#N)c1C ZINC000248580814 497047906 /nfs/dbraw/zinc/04/79/06/497047906.db2.gz IOEJMUSPCFXUSQ-IIYDPXPESA-N 0 3 353.422 3.249 20 30 FGEDHN N#CC1(c2ccccc2)CCC(N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000274346090 497075209 /nfs/dbraw/zinc/07/52/09/497075209.db2.gz FDSLVMFDKKPWNZ-OBXNSHGQSA-N 0 3 351.425 3.346 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000227265286 497087527 /nfs/dbraw/zinc/08/75/27/497087527.db2.gz XWGIZYZUEWTWLJ-HLIPFELVSA-N 0 3 357.498 3.198 20 30 FGEDHN CC(C)(C#N)CC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278787669 497220563 /nfs/dbraw/zinc/22/05/63/497220563.db2.gz PXWIJEOICQFGON-QGZVFWFLSA-N 0 3 351.454 3.208 20 30 FGEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278866932 497248573 /nfs/dbraw/zinc/24/85/73/497248573.db2.gz WSAXZXGFOBIURH-RTWAWAEBSA-N 0 3 358.445 3.272 20 30 FGEDHN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000572120318 505894687 /nfs/dbraw/zinc/89/46/87/505894687.db2.gz QNWDDJNCOXMOLF-HOTGVXAUSA-N 0 3 374.558 3.129 20 30 FGEDHN CO[C@@]1(C)C[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000278990235 497293280 /nfs/dbraw/zinc/29/32/80/497293280.db2.gz BDAOBNDTXKKVBG-RXVVDRJESA-N 0 3 367.497 3.494 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000574994987 505900965 /nfs/dbraw/zinc/90/09/65/505900965.db2.gz RTPRSEZCDIBPOK-QFBILLFUSA-N 0 3 352.906 3.330 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)COCc1ccccc1 ZINC000279272830 497389686 /nfs/dbraw/zinc/38/96/86/497389686.db2.gz JIYPIXJRJUPDFS-LAUBAEHRSA-N 0 3 361.445 3.210 20 30 FGEDHN C=CCN(C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000271587642 497390598 /nfs/dbraw/zinc/39/05/98/497390598.db2.gz SJCBMUSBSZDURJ-UHFFFAOYSA-N 0 3 357.498 3.267 20 30 FGEDHN CC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[C@H]1c1ccccc1 ZINC000245408053 497392355 /nfs/dbraw/zinc/39/23/55/497392355.db2.gz FIHZAIBPYSFHMP-UYAOXDASSA-N 0 3 352.482 3.158 20 30 FGEDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2cccc(OCCCC#N)c2)C[C@H](C)O1 ZINC000245554194 497454197 /nfs/dbraw/zinc/45/41/97/497454197.db2.gz GTFVOWOOMAYNCH-SVFBPWRDSA-N 0 3 371.525 3.443 20 30 FGEDHN CN(CCCc1nc2ccccc2[nH]1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279655360 497499809 /nfs/dbraw/zinc/49/98/09/497499809.db2.gz YAJPDNJQUYUOFP-SFHVURJKSA-N 0 3 371.444 3.208 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccsc1 ZINC000272007218 497510971 /nfs/dbraw/zinc/51/09/71/497510971.db2.gz AEBAPYBKUZXXHQ-MRXNPFEDSA-N 0 3 374.514 3.371 20 30 FGEDHN CC(C)(CCC#N)CNCc1csc(CNC(=O)c2ccccc2)n1 ZINC000267401025 497543411 /nfs/dbraw/zinc/54/34/11/497543411.db2.gz XJNOKQZCQMJPSY-UHFFFAOYSA-N 0 3 356.495 3.493 20 30 FGEDHN C[C@H](CCc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190628082 497551780 /nfs/dbraw/zinc/55/17/80/497551780.db2.gz FYEWLAAWVBVJQY-IIBYNOLFSA-N 0 3 365.452 3.409 20 30 FGEDHN C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(C#N)s1 ZINC000245909786 497568291 /nfs/dbraw/zinc/56/82/91/497568291.db2.gz MIHJNUTZECCTNU-IEZWGBDMSA-N 0 3 355.507 3.153 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@](C)(O)CC)CC1 ZINC000190728557 497587577 /nfs/dbraw/zinc/58/75/77/497587577.db2.gz XBLMWWSHAKIYRC-OAQYLSRUSA-N 0 3 359.514 3.010 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000280107536 497651256 /nfs/dbraw/zinc/65/12/56/497651256.db2.gz PKCHBGAXDLBMLY-MOPGFXCFSA-N 0 3 351.450 3.239 20 30 FGEDHN Cc1ccc(N2CCC[C@@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000280304371 497713635 /nfs/dbraw/zinc/71/36/35/497713635.db2.gz FUAGUSLSUOBHLB-LEWJYISDSA-N 0 3 372.472 3.334 20 30 FGEDHN N#Cc1ccc(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000194763192 497764052 /nfs/dbraw/zinc/76/40/52/497764052.db2.gz VZJSZJGIFPBVCJ-UHFFFAOYSA-N 0 3 365.502 3.331 20 30 FGEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268539907 497776817 /nfs/dbraw/zinc/77/68/17/497776817.db2.gz KFMWBAOIFPAULZ-HXUWFJFHSA-N 0 3 373.460 3.315 20 30 FGEDHN COc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000277303930 497798909 /nfs/dbraw/zinc/79/89/09/497798909.db2.gz SCEODFULHURRCU-OXJNMPFZSA-N 0 3 363.461 3.327 20 30 FGEDHN N#Cc1ccc(CNCCCCn2cc(Br)cn2)c(F)c1 ZINC000280610697 497825024 /nfs/dbraw/zinc/82/50/24/497825024.db2.gz OVAWJUWMPTWOOZ-UHFFFAOYSA-N 0 3 351.223 3.226 20 30 FGEDHN CS[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1N1CCCC1 ZINC000329593980 497839609 /nfs/dbraw/zinc/83/96/09/497839609.db2.gz HRXBQHCJKPDYSB-IXDOHACOSA-N 0 3 364.559 3.069 20 30 FGEDHN O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@@H](n2cccn2)C1 ZINC000329611725 497845173 /nfs/dbraw/zinc/84/51/73/497845173.db2.gz JVEWTCJDIBKXKV-GOSISDBHSA-N 0 3 359.518 3.090 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000575203096 505941856 /nfs/dbraw/zinc/94/18/56/505941856.db2.gz FDRIWIPFBSWALL-KXBFYZLASA-N 0 3 372.852 3.259 20 30 FGEDHN CN(c1ccc([N+](=O)[O-])cc1C#N)C1CCN(CCc2ccccn2)CC1 ZINC000299678291 497892387 /nfs/dbraw/zinc/89/23/87/497892387.db2.gz KQEAMIHYBMZXGK-UHFFFAOYSA-N 0 3 365.437 3.005 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000292137035 497893802 /nfs/dbraw/zinc/89/38/02/497893802.db2.gz CLJNMXMPLKVZDK-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN O=C(CN1C[C@H]2CCC(=O)c3cccc1c32)NC1CCN(C2CC2)CC1 ZINC000329790576 497901794 /nfs/dbraw/zinc/90/17/94/497901794.db2.gz CVOAMZBSPRVFOY-CQSZACIVSA-N 0 3 353.466 3.150 20 30 FGEDHN CCc1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cnn1-c1ccccc1 ZINC000329810810 497909050 /nfs/dbraw/zinc/90/90/50/497909050.db2.gz QXVZOLGAYCMPSB-HNAYVOBHSA-N 0 3 353.470 3.006 20 30 FGEDHN O[C@@H](CNCC#Cc1cccc(F)c1)CO[C@@H]1CCCc2ccccc21 ZINC000572357467 505949429 /nfs/dbraw/zinc/94/94/29/505949429.db2.gz WYEAHLYBBZKVLY-RBBKRZOGSA-N 0 3 353.437 3.222 20 30 FGEDHN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC000329905464 497947419 /nfs/dbraw/zinc/94/74/19/497947419.db2.gz JOVOBZNAGGDYJV-CQSZACIVSA-N 0 3 355.548 3.013 20 30 FGEDHN CC[C@@H](C)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000296229109 497963174 /nfs/dbraw/zinc/96/31/74/497963174.db2.gz WMXLNAOWPWBVEH-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000284993791 497963184 /nfs/dbraw/zinc/96/31/84/497963184.db2.gz SBOQMGGBDWHEIL-UHFFFAOYSA-N 0 3 367.424 3.100 20 30 FGEDHN CC(C)(C)c1csc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000280973787 497971967 /nfs/dbraw/zinc/97/19/67/497971967.db2.gz RUPXISLKNKMSOU-OAHLLOKOSA-N 0 3 352.463 3.311 20 30 FGEDHN CN1CCC(NC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC1 ZINC000329977760 497977016 /nfs/dbraw/zinc/97/70/16/497977016.db2.gz GILWQMYTAFOVOL-UHFFFAOYSA-N 0 3 359.405 3.173 20 30 FGEDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000329975738 497977476 /nfs/dbraw/zinc/97/74/76/497977476.db2.gz DTNQWJMHGMDZAU-RBUKOAKNSA-N 0 3 367.497 3.025 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)[N-]C2CCC2)c1 ZINC000292354574 497982355 /nfs/dbraw/zinc/98/23/55/497982355.db2.gz QJHCCLRSDUEMME-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000281092972 498018171 /nfs/dbraw/zinc/01/81/71/498018171.db2.gz URFKGLYGMVGWOM-WLRLJWMZSA-N 0 3 371.525 3.320 20 30 FGEDHN COc1ccc2c(c1)C1(CC1)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000292455245 498023012 /nfs/dbraw/zinc/02/30/12/498023012.db2.gz GJTBPYXEGROQPL-LJQANCHMSA-N 0 3 371.440 3.323 20 30 FGEDHN CO[C@@H](C)c1nc(C)c(C(=O)NCC2(N3CCCC3)CCOCC2)s1 ZINC000330170874 498047718 /nfs/dbraw/zinc/04/77/18/498047718.db2.gz DYLRAOOQUXZSAV-AWEZNQCLSA-N 0 3 367.515 3.109 20 30 FGEDHN COCCCN(Cc1ccncc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000289181596 498049574 /nfs/dbraw/zinc/04/95/74/498049574.db2.gz ANUDABMVQJOARF-UHFFFAOYSA-N 0 3 352.482 3.470 20 30 FGEDHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000301324077 498057384 /nfs/dbraw/zinc/05/73/84/498057384.db2.gz XAPVRYYADJSHOK-KDOFPFPSSA-N 0 3 351.410 3.184 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000578586633 505973681 /nfs/dbraw/zinc/97/36/81/505973681.db2.gz HKGAISHOIXSPFA-IBGZPJMESA-N 0 3 362.481 3.066 20 30 FGEDHN C=CCN(Cc1nnc(C2CCC2)n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364654987 498070912 /nfs/dbraw/zinc/07/09/12/498070912.db2.gz ITGGGKYQXPGSSJ-HXUWFJFHSA-N 0 3 365.525 3.345 20 30 FGEDHN CCc1ccc([C@H](O)CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000285393605 498072107 /nfs/dbraw/zinc/07/21/07/498072107.db2.gz DQZGYTHEAZOJKA-OAQYLSRUSA-N 0 3 360.461 3.344 20 30 FGEDHN CN(C)CCNC(=O)c1cccc(CNc2cc(C#N)nc3ccccc32)c1 ZINC000301415602 498101171 /nfs/dbraw/zinc/10/11/71/498101171.db2.gz QRHYTGIPQMXTPJ-UHFFFAOYSA-N 0 3 373.460 3.010 20 30 FGEDHN CN1CC[C@H](NCc2ccc(OCC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000289318198 498102994 /nfs/dbraw/zinc/10/29/94/498102994.db2.gz BXTVYMSIUGRNPP-VQTJNVASSA-N 0 3 357.404 3.402 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(C)C2(CCCCC2)C1 ZINC000578639524 505987344 /nfs/dbraw/zinc/98/73/44/505987344.db2.gz ANTZVUKFHGBHCI-OBXNSHGQSA-N 0 3 374.573 3.256 20 30 FGEDHN CC(C)[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)N1CCN(C)CC1 ZINC000301565713 498165351 /nfs/dbraw/zinc/16/53/51/498165351.db2.gz KJIICTHCZFSVJG-QGZVFWFLSA-N 0 3 354.420 3.261 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CN[C@@]1(CO)CCc2ccccc21 ZINC000364843468 498170049 /nfs/dbraw/zinc/17/00/49/498170049.db2.gz XPKOOOPHRWIDLY-HSZRJFAPSA-N 0 3 357.457 3.332 20 30 FGEDHN CN1CCC[C@@]2(CCN(CC(=O)c3cn(CCC#N)c4ccccc34)C2)C1 ZINC000292850578 498170510 /nfs/dbraw/zinc/17/05/10/498170510.db2.gz BTQFZBLYUGGOKK-JOCHJYFZSA-N 0 3 364.493 3.155 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)C(C#N)CCc1ccccc1 ZINC000330689375 498174266 /nfs/dbraw/zinc/17/42/66/498174266.db2.gz VSNGHAMOXJBAMI-LMMKCTJWSA-N 0 3 369.509 3.253 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000281567018 498196137 /nfs/dbraw/zinc/19/61/37/498196137.db2.gz OJJBKXDZHOEWQZ-FPOVZHCZSA-N 0 3 371.525 3.274 20 30 FGEDHN CCN(Cc1ccccc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1)C(C)=O ZINC000330875722 498210547 /nfs/dbraw/zinc/21/05/47/498210547.db2.gz FIJDTKFXRJBSEP-MRXNPFEDSA-N 0 3 374.529 3.263 20 30 FGEDHN CCN(CC)C(=O)c1cccc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000330877204 498210557 /nfs/dbraw/zinc/21/05/57/498210557.db2.gz XHTFUEPNAUTCMB-MRXNPFEDSA-N 0 3 374.529 3.376 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2Cc2ccc(OC)cc2)CC1 ZINC000365187539 498342361 /nfs/dbraw/zinc/34/23/61/498342361.db2.gz MQGJULZCSHINFD-LJQANCHMSA-N 0 3 357.498 3.062 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000361449367 498393456 /nfs/dbraw/zinc/39/34/56/498393456.db2.gz HAAKTXFRHPVSHG-VQTJNVASSA-N 0 3 352.482 3.118 20 30 FGEDHN CN(C)CCN(Cc1nccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000575907418 506030746 /nfs/dbraw/zinc/03/07/46/506030746.db2.gz FRROOBBQLRKBPV-UHFFFAOYSA-N 0 3 373.504 3.367 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)CC1 ZINC000290139036 498438489 /nfs/dbraw/zinc/43/84/89/498438489.db2.gz OYRLPNHUHXHRSS-ZDUSSCGKSA-N 0 3 354.372 3.300 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C2CC2)ccn1 ZINC000290212475 498466735 /nfs/dbraw/zinc/46/67/35/498466735.db2.gz XESPYALORFWMFW-UHFFFAOYSA-N 0 3 363.465 3.426 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000290225581 498472387 /nfs/dbraw/zinc/47/23/87/498472387.db2.gz XCXKNDVLXZELTJ-SFHVURJKSA-N 0 3 367.474 3.242 20 30 FGEDHN C[C@@H](NCc1cccc(N2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000293768313 498481182 /nfs/dbraw/zinc/48/11/82/498481182.db2.gz RYHJMMOKCNTGMY-QGZVFWFLSA-N 0 3 351.450 3.276 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000302699201 498537159 /nfs/dbraw/zinc/53/71/59/498537159.db2.gz XBVZBYJEDZDZHW-AWEZNQCLSA-N 0 3 354.420 3.263 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000362792317 498553663 /nfs/dbraw/zinc/55/36/63/498553663.db2.gz PRNHAYWLTYAPEZ-UHFFFAOYSA-N 0 3 359.470 3.258 20 30 FGEDHN Cc1cc(C(=O)C(C(=S)[N-]C(C)C)[n+]2cccc(CO)c2)c(C)s1 ZINC000297776607 498563875 /nfs/dbraw/zinc/56/38/75/498563875.db2.gz QFRNZVSEMCIURU-UHFFFAOYSA-O 0 3 363.528 3.082 20 30 FGEDHN COc1ccc([C@@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)N(C)C)cc1OC ZINC000290585653 498609544 /nfs/dbraw/zinc/60/95/44/498609544.db2.gz WORKRLUQNSSTPE-QGZVFWFLSA-N 0 3 370.409 3.198 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)N(C)CCC#N ZINC000287133168 498642224 /nfs/dbraw/zinc/64/22/24/498642224.db2.gz GYKPWYCXLGNIMG-JKSUJKDBSA-N 0 3 352.438 3.285 20 30 FGEDHN CN(C)Cc1ccccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000365897561 498689959 /nfs/dbraw/zinc/68/99/59/498689959.db2.gz RMKJQHSVCKYUTO-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccc(C)cc3C)C2)CC1 ZINC000363281915 498744015 /nfs/dbraw/zinc/74/40/15/498744015.db2.gz FCQVHJILYRWIFT-HXUWFJFHSA-N 0 3 357.498 3.037 20 30 FGEDHN C=C(C)CN1CCC(c2noc([C@H](OC(C)=O)c3ccccc3)n2)CC1 ZINC000363285694 498745748 /nfs/dbraw/zinc/74/57/48/498745748.db2.gz QNUGPNXGCIXPEW-GOSISDBHSA-N 0 3 355.438 3.478 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000570084188 506086113 /nfs/dbraw/zinc/08/61/13/506086113.db2.gz BIEKCMAIKBOQMT-ZWKOTPCHSA-N 0 3 355.486 3.022 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC000287468570 498767735 /nfs/dbraw/zinc/76/77/35/498767735.db2.gz YCAUTOPUZSSEMT-CQSZACIVSA-N 0 3 369.446 3.183 20 30 FGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 ZINC000291073665 498782592 /nfs/dbraw/zinc/78/25/92/498782592.db2.gz MCPQKVAPXFRHFP-KRWDZBQOSA-N 0 3 363.461 3.469 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)Cc3cccc(C#N)c3)C2)s1 ZINC000570100382 506090876 /nfs/dbraw/zinc/09/08/76/506090876.db2.gz NMOCHPTYVMRTMC-LJQANCHMSA-N 0 3 367.518 3.451 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291118018 498802644 /nfs/dbraw/zinc/80/26/44/498802644.db2.gz AQKMWXNQGUIFSZ-IAGOWNOFSA-N 0 3 372.513 3.070 20 30 FGEDHN C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(CC)CC1 ZINC000570130497 506096539 /nfs/dbraw/zinc/09/65/39/506096539.db2.gz RDGHOSZNCTYOCM-UHFFFAOYSA-N 0 3 369.513 3.192 20 30 FGEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000581950935 506098046 /nfs/dbraw/zinc/09/80/46/506098046.db2.gz MWXUMUUPDRGNBE-AWEZNQCLSA-N 0 3 370.428 3.348 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2-c2noc(C)n2)CC1 ZINC000363493006 498848164 /nfs/dbraw/zinc/84/81/64/498848164.db2.gz KOHLWWUPXOXSHY-UHFFFAOYSA-N 0 3 355.442 3.207 20 30 FGEDHN CCN(CCN1CCCCCC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000581961686 506100994 /nfs/dbraw/zinc/10/09/94/506100994.db2.gz LRHUEKIVOTVCEB-UHFFFAOYSA-N 0 3 356.514 3.131 20 30 FGEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291294412 498881770 /nfs/dbraw/zinc/88/17/70/498881770.db2.gz RLZCGDGDZKBSBZ-AWEZNQCLSA-N 0 3 352.413 3.468 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000579104812 506095873 /nfs/dbraw/zinc/09/58/73/506095873.db2.gz IDOGDFWVAGOKNF-GOSISDBHSA-N 0 3 368.506 3.450 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000581990305 506107443 /nfs/dbraw/zinc/10/74/43/506107443.db2.gz ACHHFPQALYOUCW-JPYJTQIMSA-N 0 3 374.440 3.395 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccnc(OCc4ccccc4)c3)[C@H]2C1 ZINC000328733209 498919613 /nfs/dbraw/zinc/91/96/13/498919613.db2.gz XWVOJCKSCVOPBF-HKUYNNGSSA-N 0 3 366.465 3.232 20 30 FGEDHN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)C12CCCN1CCC2 ZINC000328784784 498938378 /nfs/dbraw/zinc/93/83/78/498938378.db2.gz OAAARQKMXWTQJB-OAHLLOKOSA-N 0 3 361.873 3.420 20 30 FGEDHN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328787106 498939058 /nfs/dbraw/zinc/93/90/58/498939058.db2.gz LBKXXAQFECMDBV-ZZCKCESHSA-N 0 3 366.889 3.487 20 30 FGEDHN C=CC[C@H](C)NCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295242114 498952923 /nfs/dbraw/zinc/95/29/23/498952923.db2.gz STUFUQVKFKJXFV-NWDGAFQWSA-N 0 3 355.276 3.017 20 30 FGEDHN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000328838838 498956969 /nfs/dbraw/zinc/95/69/69/498956969.db2.gz NOMXSRFRZWOZSU-IYWMVGAKSA-N 0 3 369.509 3.112 20 30 FGEDHN COc1ccccc1C(=O)C(C(=S)[N-]C1(C)CC1)[n+]1ccc(C)cc1 ZINC000283754332 498975355 /nfs/dbraw/zinc/97/53/55/498975355.db2.gz AFRAZBQCIVHNGD-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN N#Cc1cnc2c(Cl)cccc2c1N1CCN(CC2CCOCC2)CC1 ZINC000579230923 506125406 /nfs/dbraw/zinc/12/54/06/506125406.db2.gz GLGDOXLHIMNBEP-UHFFFAOYSA-N 0 3 370.884 3.308 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1c(C)nn(C(F)F)c1C)C(C)C ZINC000299273125 499011071 /nfs/dbraw/zinc/01/10/71/499011071.db2.gz YHWSKRVHQWKCBC-KRWDZBQOSA-N 0 3 368.472 3.252 20 30 FGEDHN Cc1noc([C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329069854 499032504 /nfs/dbraw/zinc/03/25/04/499032504.db2.gz YIEGVRREFQWYAX-LBPRGKRZSA-N 0 3 371.466 3.268 20 30 FGEDHN CN1CCC2(CCCN2C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1 ZINC000329101457 499042457 /nfs/dbraw/zinc/04/24/57/499042457.db2.gz ZSFITCAJCFNWTQ-UHFFFAOYSA-N 0 3 373.497 3.167 20 30 FGEDHN CC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000329114684 499045390 /nfs/dbraw/zinc/04/53/90/499045390.db2.gz SJZYXWMQXWFKJY-HXUWFJFHSA-N 0 3 372.513 3.206 20 30 FGEDHN CC(C)[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CCO1 ZINC000329152912 499057842 /nfs/dbraw/zinc/05/78/42/499057842.db2.gz UBCMCIVXCVYPIQ-OAGGEKHMSA-N 0 3 362.518 3.203 20 30 FGEDHN C=C(C)COc1cc(CNc2ccn(C3CCN(C)CC3)n2)ccc1OC ZINC000366750050 499059809 /nfs/dbraw/zinc/05/98/09/499059809.db2.gz IMMHHJIJVCFOCL-UHFFFAOYSA-N 0 3 370.497 3.147 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC(C)(C#N)C2)CC1 ZINC000333736120 499067966 /nfs/dbraw/zinc/06/79/66/499067966.db2.gz XIECTSFMWCYFHW-UHFFFAOYSA-N 0 3 362.861 3.190 20 30 FGEDHN COC(=O)c1ccc(NC[C@@H](c2ccc(SC)cc2)N(C)C)c(C#N)n1 ZINC000579258632 506131062 /nfs/dbraw/zinc/13/10/62/506131062.db2.gz URFHDVTVRKAJKG-SFHVURJKSA-N 0 3 370.478 3.177 20 30 FGEDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1nc(C2CCCCC2)no1 ZINC000329284616 499091316 /nfs/dbraw/zinc/09/13/16/499091316.db2.gz NXQCITNDIFHGPZ-OFQRWUPVSA-N 0 3 361.490 3.118 20 30 FGEDHN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000329369272 499110122 /nfs/dbraw/zinc/11/01/22/499110122.db2.gz JMAPWQLAQKZPBD-DSKINZAPSA-N 0 3 371.525 3.295 20 30 FGEDHN CC(C)[C@H](C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCCCC1 ZINC000329380598 499112461 /nfs/dbraw/zinc/11/24/61/499112461.db2.gz NKZWNNWECJOXTI-ZWKOTPCHSA-N 0 3 364.534 3.134 20 30 FGEDHN N#CC1(c2ccccn2)CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000366981284 499126058 /nfs/dbraw/zinc/12/60/58/499126058.db2.gz JZVLWRSAKGIUOM-LJQANCHMSA-N 0 3 374.488 3.101 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000369891095 499146127 /nfs/dbraw/zinc/14/61/27/499146127.db2.gz FWTBSYKDAFZJRH-SJORKVTESA-N 0 3 350.466 3.383 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Nc3ccc(F)cc3)CC2)CC1 ZINC000372600635 499151988 /nfs/dbraw/zinc/15/19/88/499151988.db2.gz NLRXEQNVDDRGDY-UHFFFAOYSA-N 0 3 360.477 3.062 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000369964968 499158649 /nfs/dbraw/zinc/15/86/49/499158649.db2.gz OZFYXCFBWSOISO-LJQANCHMSA-N 0 3 357.498 3.054 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](c2ccncn2)C1)C(C)C ZINC000367258576 499169402 /nfs/dbraw/zinc/16/94/02/499169402.db2.gz QYTJYYTWWJRIHW-QUCCMNQESA-N 0 3 371.529 3.064 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000367889552 499242094 /nfs/dbraw/zinc/24/20/94/499242094.db2.gz BRZQZNPQQJBDFK-MNEFBYGVSA-N 0 3 363.889 3.062 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H]2Cn2nc(C)nc2C)cc1OC ZINC000371411029 499322681 /nfs/dbraw/zinc/32/26/81/499322681.db2.gz VSNMSVLLNIVQNL-SFHVURJKSA-N 0 3 356.470 3.133 20 30 FGEDHN N#Cc1ccc(CCC(=O)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000368803099 499334161 /nfs/dbraw/zinc/33/41/61/499334161.db2.gz VIZRRYMJBYALSX-UHFFFAOYSA-N 0 3 353.491 3.333 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC3(CCOCC3)[C@H]2C)c1C ZINC000368814525 499335401 /nfs/dbraw/zinc/33/54/01/499335401.db2.gz SWUNWVQNFPLFJU-LJQANCHMSA-N 0 3 369.509 3.441 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC3(CCOCC3)[C@@H]2C)c1C ZINC000368814524 499335598 /nfs/dbraw/zinc/33/55/98/499335598.db2.gz SWUNWVQNFPLFJU-IBGZPJMESA-N 0 3 369.509 3.441 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1 ZINC000371625972 499348542 /nfs/dbraw/zinc/34/85/42/499348542.db2.gz BPBVTETYSWYJLK-UHFFFAOYSA-N 0 3 374.448 3.332 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2[C@@H]3c4ccccc4CC[C@H]23)cc1 ZINC000369138744 499369747 /nfs/dbraw/zinc/36/97/47/499369747.db2.gz GZQCVAARNBFZHT-ZHHKINOHSA-N 0 3 355.441 3.333 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000372054443 499393850 /nfs/dbraw/zinc/39/38/50/499393850.db2.gz YMYNRJQFERIIPV-UTKZUKDTSA-N 0 3 372.476 3.461 20 30 FGEDHN C=CCN(C(=O)NCc1nc(C)cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372189065 499406902 /nfs/dbraw/zinc/40/69/02/499406902.db2.gz VLAMJAQBFIFUSQ-GOSISDBHSA-N 0 3 370.522 3.424 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)CCN3C(=O)C(C)(C)C)CC1 ZINC000369496272 499409297 /nfs/dbraw/zinc/40/92/97/499409297.db2.gz KCAICQWWXRKRET-UHFFFAOYSA-N 0 3 369.509 3.002 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cnc([C@H]4CCCO4)s3)CC2)nc1 ZINC000372308461 499419117 /nfs/dbraw/zinc/41/91/17/499419117.db2.gz QXTQEJOHSWEVLN-QGZVFWFLSA-N 0 3 369.494 3.020 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@H]2C1 ZINC000373060926 499449555 /nfs/dbraw/zinc/44/95/55/499449555.db2.gz WPNMNLGNOCFLHH-JXFKEZNVSA-N 0 3 350.466 3.111 20 30 FGEDHN CN1CC[C@H](CNC(=O)NCC2(CC#N)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000373717882 499484841 /nfs/dbraw/zinc/48/48/41/499484841.db2.gz FYSFCGKMGDPCHE-WBVHZDCISA-N 0 3 360.889 3.326 20 30 FGEDHN CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000378534388 499529129 /nfs/dbraw/zinc/52/91/29/499529129.db2.gz CRKVEAGDFVDFDJ-PBHICJAKSA-N 0 3 366.469 3.363 20 30 FGEDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000375599984 499536653 /nfs/dbraw/zinc/53/66/53/499536653.db2.gz SADAAKWOWLZHCT-YEYPGUGLSA-N 0 3 354.498 3.233 20 30 FGEDHN CN(C(=O)COc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388146199 499550282 /nfs/dbraw/zinc/55/02/82/499550282.db2.gz FJXPXCLPINDONE-FQEVSTJZSA-N 0 3 363.461 3.060 20 30 FGEDHN C[C@H](N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)cc1 ZINC000375781062 499555251 /nfs/dbraw/zinc/55/52/51/499555251.db2.gz TVRNMIBBSFPRLU-OXJNMPFZSA-N 0 3 357.461 3.406 20 30 FGEDHN N#Cc1ccsc1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000375894451 499565664 /nfs/dbraw/zinc/56/56/64/499565664.db2.gz DXZXLRPAANOUIQ-HXUWFJFHSA-N 0 3 351.475 3.358 20 30 FGEDHN Cc1cc(C#N)ccc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404201543 499570110 /nfs/dbraw/zinc/57/01/10/499570110.db2.gz PVTXSYCFYJGELS-XZOQPEGZSA-N 0 3 361.489 3.342 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000408407128 499587079 /nfs/dbraw/zinc/58/70/79/499587079.db2.gz KDPIEFVUZSYVPD-SJORKVTESA-N 0 3 355.486 3.023 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC23CCCC3)cc1 ZINC000376628668 499624534 /nfs/dbraw/zinc/62/45/34/499624534.db2.gz KXEIKNBRDZSBKZ-AWEZNQCLSA-N 0 3 361.467 3.313 20 30 FGEDHN COc1cccc([C@@H](C)N2CCN(CCCC3(C#N)CCOCC3)CC2)c1 ZINC000410343308 499656259 /nfs/dbraw/zinc/65/62/59/499656259.db2.gz CAONSMNWNBTMEF-LJQANCHMSA-N 0 3 371.525 3.474 20 30 FGEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000411467340 499744483 /nfs/dbraw/zinc/74/44/83/499744483.db2.gz XKNMHEKPRFVACH-MRXNPFEDSA-N 0 3 363.527 3.452 20 30 FGEDHN C[C@@H](NC(=O)C12CCCN1CCC2)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000377954485 499750900 /nfs/dbraw/zinc/75/09/00/499750900.db2.gz DHXYEZQJIUFUBN-CQSZACIVSA-N 0 3 366.490 3.487 20 30 FGEDHN COC(=O)C[C@@]1(NCc2ccc(-c3ccccc3C#N)cc2)CCOC1 ZINC000411543146 499753013 /nfs/dbraw/zinc/75/30/13/499753013.db2.gz KEKKEQCMCKSVIA-NRFANRHFSA-N 0 3 350.418 3.037 20 30 FGEDHN C#Cc1ccccc1CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000378029672 499755423 /nfs/dbraw/zinc/75/54/23/499755423.db2.gz RHZGAEVNLDBUCB-UHFFFAOYSA-N 0 3 364.411 3.132 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000414131200 499763432 /nfs/dbraw/zinc/76/34/32/499763432.db2.gz KLMKJSNFPHXGDF-GUDVDZBRSA-N 0 3 369.509 3.231 20 30 FGEDHN CO[C@@H]([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000414183595 499766596 /nfs/dbraw/zinc/76/65/96/499766596.db2.gz NIFJEFFZJMJQPZ-UWVAXJGDSA-N 0 3 357.498 3.342 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000579371135 506158824 /nfs/dbraw/zinc/15/88/24/506158824.db2.gz XEUPQUHUIDKFAL-YESZJQIVSA-N 0 3 372.538 3.188 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@]34CCOC4)sc2C1 ZINC000411764186 499787921 /nfs/dbraw/zinc/78/79/21/499787921.db2.gz DRCCRRFXUKINMU-VBKZILBWSA-N 0 3 373.522 3.328 20 30 FGEDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000414560856 499809658 /nfs/dbraw/zinc/80/96/58/499809658.db2.gz RNLBJCIFHMQSBJ-HXUWFJFHSA-N 0 3 360.454 3.153 20 30 FGEDHN N#Cc1ccc(OCCNC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000412151478 499828278 /nfs/dbraw/zinc/82/82/78/499828278.db2.gz YQZJFFRWQRSIEX-UHFFFAOYSA-N 0 3 363.461 3.353 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000415013997 499855158 /nfs/dbraw/zinc/85/51/58/499855158.db2.gz ZCVCZLDUOWHQAO-UHFFFAOYSA-N 0 3 350.422 3.270 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415166644 499872376 /nfs/dbraw/zinc/87/23/76/499872376.db2.gz RUXKQOAGAYZWHM-VNHYZAJKSA-N 0 3 362.499 3.173 20 30 FGEDHN C=CCCn1cc(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)nn1 ZINC000424840392 499952268 /nfs/dbraw/zinc/95/22/68/499952268.db2.gz CSTWIZBJCQOMAA-FQEVSTJZSA-N 0 3 369.513 3.085 20 30 FGEDHN N#Cc1cccc(C2(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC2)c1 ZINC000424999915 499987679 /nfs/dbraw/zinc/98/76/79/499987679.db2.gz ANOGNUWSYDDFJF-RBBKRZOGSA-N 0 3 371.484 3.323 20 30 FGEDHN N#Cc1cnc(NCC2(O)CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000413592463 499998863 /nfs/dbraw/zinc/99/88/63/499998863.db2.gz WKODSPFLLSRWGV-UHFFFAOYSA-N 0 3 356.857 3.046 20 30 FGEDHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)CCCC#N ZINC000425099696 500019016 /nfs/dbraw/zinc/01/90/16/500019016.db2.gz QOSQNMTWZKRRPI-UHFFFAOYSA-N 0 3 367.291 3.079 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1F ZINC000421353927 500023872 /nfs/dbraw/zinc/02/38/72/500023872.db2.gz GOPBVHUOFBRLKB-LJQANCHMSA-N 0 3 351.425 3.021 20 30 FGEDHN C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)N1CCCC[C@H]1C ZINC000416678224 500083704 /nfs/dbraw/zinc/08/37/04/500083704.db2.gz GGPCTPSGFZMGJL-GUXCAODWSA-N 0 3 354.498 3.498 20 30 FGEDHN CN(C(=O)CNC1(Cc2ccccc2)CCOCC1)C1(C#N)CCCCC1 ZINC000582282525 506175695 /nfs/dbraw/zinc/17/56/95/506175695.db2.gz GOEGDVLFRRMXTE-UHFFFAOYSA-N 0 3 369.509 3.053 20 30 FGEDHN COc1ccc([C@@H](CCn2cncn2)NCc2ccc(C#N)s2)cc1 ZINC000421870542 500166860 /nfs/dbraw/zinc/16/68/60/500166860.db2.gz FNQBBUSQKWPVSB-GOSISDBHSA-N 0 3 353.451 3.141 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(C#N)s1)N(C)C ZINC000422211469 500234906 /nfs/dbraw/zinc/23/49/06/500234906.db2.gz WLMDUODOISNANM-RDTXWAMCSA-N 0 3 356.495 3.419 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@H](c2ccccc2)N(C)C1=O)C(C)C ZINC000430905979 500304817 /nfs/dbraw/zinc/30/48/17/500304817.db2.gz HCZBKKZBAXFXEX-OALUTQOASA-N 0 3 355.482 3.320 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CC)c2-c2ccccc2)CC1 ZINC000427450474 500394536 /nfs/dbraw/zinc/39/45/36/500394536.db2.gz MNINYZYPAOGMQY-UHFFFAOYSA-N 0 3 352.482 3.340 20 30 FGEDHN C=CCC[C@H]1NC(=O)N(C[C@H](c2ccc(OC)cc2)N2CCCCC2)C1=O ZINC000419918719 500406649 /nfs/dbraw/zinc/40/66/49/500406649.db2.gz DGWQOBFQWQDIJA-RTBURBONSA-N 0 3 371.481 3.109 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C[C@H](c2cccs2)N2CCC(C)CC2)C1=O ZINC000419929467 500407890 /nfs/dbraw/zinc/40/78/90/500407890.db2.gz VSBDGBJNGWPFOY-JKSUJKDBSA-N 0 3 361.511 3.408 20 30 FGEDHN CCC(CC)n1nccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000431795332 500426013 /nfs/dbraw/zinc/42/60/13/500426013.db2.gz FJXDWBSDLNZBFJ-UHFFFAOYSA-N 0 3 367.497 3.320 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000424068924 500446586 /nfs/dbraw/zinc/44/65/86/500446586.db2.gz OHSGBMCTWARQEB-ZDUSSCGKSA-N 0 3 354.435 3.194 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000424071381 500447764 /nfs/dbraw/zinc/44/77/64/500447764.db2.gz BHDAGKALJZVPAL-KRWDZBQOSA-N 0 3 351.454 3.490 20 30 FGEDHN COc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)c2ccc(F)cc2)cc1 ZINC000424097698 500452187 /nfs/dbraw/zinc/45/21/87/500452187.db2.gz BHGLNJMSYUNOFE-MOPGFXCFSA-N 0 3 355.413 3.061 20 30 FGEDHN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1 ZINC000424095628 500452360 /nfs/dbraw/zinc/45/23/60/500452360.db2.gz XREREEXIFRIYKP-HXUWFJFHSA-N 0 3 369.509 3.328 20 30 FGEDHN Cc1cccnc1OC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000582362623 506196422 /nfs/dbraw/zinc/19/64/22/506196422.db2.gz OWRIXIVYUMYLCT-LJQANCHMSA-N 0 3 374.444 3.014 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000424114298 500455943 /nfs/dbraw/zinc/45/59/43/500455943.db2.gz QZOZAOMWYNUGAF-CABCVRRESA-N 0 3 354.479 3.375 20 30 FGEDHN C[C@H](NCCNC(=O)CCCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000424331895 500487840 /nfs/dbraw/zinc/48/78/40/500487840.db2.gz UJDICXYNJLDESL-INIZCTEOSA-N 0 3 353.441 3.487 20 30 FGEDHN C[C@]1(CNC(=O)CNc2cccc(C#N)c2)CCCN1Cc1ccccc1 ZINC000428324087 500496060 /nfs/dbraw/zinc/49/60/60/500496060.db2.gz CNQCYPSIJMHJBF-JOCHJYFZSA-N 0 3 362.477 3.141 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1C ZINC000428641903 500536445 /nfs/dbraw/zinc/53/64/45/500536445.db2.gz FRSRIZUCPMAKDG-WMZOPIPTSA-N 0 3 365.481 3.018 20 30 FGEDHN COC(=O)[C@@]1(c2ccccc2)CCN(CCCOc2cccc(C#N)c2)C1 ZINC000428781870 500556092 /nfs/dbraw/zinc/55/60/92/500556092.db2.gz SAYDWHFVQIMZJV-QFIPXVFZSA-N 0 3 364.445 3.144 20 30 FGEDHN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432862977 500579810 /nfs/dbraw/zinc/57/98/10/500579810.db2.gz HGWFFFOATKWHIV-MRXNPFEDSA-N 0 3 371.506 3.392 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccnc1OC ZINC000447366991 500596447 /nfs/dbraw/zinc/59/64/47/500596447.db2.gz UCMVSXNMPUYQDX-UHFFFAOYSA-N 0 3 373.526 3.188 20 30 FGEDHN CN(C)S(=O)(=O)c1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433020182 500607525 /nfs/dbraw/zinc/60/75/25/500607525.db2.gz RDYOUSKYDRQMHJ-HXUWFJFHSA-N 0 3 371.506 3.462 20 30 FGEDHN CC[C@@H](N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447576463 500628069 /nfs/dbraw/zinc/62/80/69/500628069.db2.gz YNWOPDLNRPQRIC-PZJWPPBQSA-N 0 3 363.461 3.279 20 30 FGEDHN COc1cc(CN2CC[C@@H](C)[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000442893241 500642588 /nfs/dbraw/zinc/64/25/88/500642588.db2.gz XBZKCENVMMPFJV-OXQOHEQNSA-N 0 3 366.461 3.349 20 30 FGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000433223000 500650469 /nfs/dbraw/zinc/65/04/69/500650469.db2.gz ZFIIBWPXBKKMLI-YOEHRIQHSA-N 0 3 350.422 3.127 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433299794 500665521 /nfs/dbraw/zinc/66/55/21/500665521.db2.gz RMHQYLIAILYRPH-HIFRSBDPSA-N 0 3 351.288 3.004 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000433342975 500676870 /nfs/dbraw/zinc/67/68/70/500676870.db2.gz NAOSSFUJEXTEMX-QUCCMNQESA-N 0 3 361.445 3.071 20 30 FGEDHN N#CC1(CS(=O)(=O)NCCN2CCC3(CCCCC3)CC2)CCCC1 ZINC000443087509 500677667 /nfs/dbraw/zinc/67/76/67/500677667.db2.gz KMZCJPWORAMKES-UHFFFAOYSA-N 0 3 367.559 3.036 20 30 FGEDHN COCCN([C@@H]1CC[C@@H](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878893 500683335 /nfs/dbraw/zinc/68/33/35/500683335.db2.gz LOFDKTFUEXXESN-AHRSYUTCSA-N 0 3 355.482 3.191 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000438063453 500733036 /nfs/dbraw/zinc/73/30/36/500733036.db2.gz CDCPFNOSINRMSR-NRSPTQNISA-N 0 3 371.525 3.274 20 30 FGEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000433945376 500769228 /nfs/dbraw/zinc/76/92/28/500769228.db2.gz GBOAEFZPDSZEMH-OALUTQOASA-N 0 3 354.454 3.113 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000448815579 500842213 /nfs/dbraw/zinc/84/22/13/500842213.db2.gz GIUPEQCVKLGEMI-SJORKVTESA-N 0 3 370.415 3.187 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2sccc2Br)CC1 ZINC000448922057 500870352 /nfs/dbraw/zinc/87/03/52/500870352.db2.gz PNXKCVRYMQSUHS-UHFFFAOYSA-N 0 3 357.317 3.210 20 30 FGEDHN N#CC(C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1cnc2ccccc2n1 ZINC000434649549 500873140 /nfs/dbraw/zinc/87/31/40/500873140.db2.gz ZZQGKJLNYJKQQA-IRXDYDNUSA-N 0 3 359.385 3.288 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(C#N)nc2)N(C)C)cc1 ZINC000588181120 506222761 /nfs/dbraw/zinc/22/27/61/506222761.db2.gz QZKHCGFSNPGBER-FQEVSTJZSA-N 0 3 350.466 3.184 20 30 FGEDHN CCCCO[C@@H]1C[C@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000434858114 500902616 /nfs/dbraw/zinc/90/26/16/500902616.db2.gz MEHIDJONYHSPBN-HRCADAONSA-N 0 3 361.511 3.298 20 30 FGEDHN C[C@H](CNC1(c2cccc(C#N)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449198997 500946302 /nfs/dbraw/zinc/94/63/02/500946302.db2.gz DVUOMRAKJNGRHJ-OAHLLOKOSA-N 0 3 354.475 3.344 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000439915635 500955068 /nfs/dbraw/zinc/95/50/68/500955068.db2.gz PEDGUDPQSFIWGD-NHCUHLMSSA-N 0 3 352.478 3.341 20 30 FGEDHN CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000602600314 506228346 /nfs/dbraw/zinc/22/83/46/506228346.db2.gz VLFVBYQJMDGZPN-IBGZPJMESA-N 0 3 351.450 3.245 20 30 FGEDHN COc1cc(CNC[C@@H]2CSCCN2Cc2ccccc2)ccc1C#N ZINC000440628796 501030824 /nfs/dbraw/zinc/03/08/24/501030824.db2.gz LDKQJDDYXYYGFQ-HXUWFJFHSA-N 0 3 367.518 3.274 20 30 FGEDHN Cc1ccc(C[C@H](CO)CNCc2ccc(C#N)o2)cc1Br ZINC000449602536 501042414 /nfs/dbraw/zinc/04/24/14/501042414.db2.gz UCCJMYGLXFZNNG-AWEZNQCLSA-N 0 3 363.255 3.163 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC2(N(C)C)CCC2)c1 ZINC000445877856 501045338 /nfs/dbraw/zinc/04/53/38/501045338.db2.gz PXUDVTPQPCMVMV-LJQANCHMSA-N 0 3 370.541 3.355 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)n2C)CCN1Cc1ccccc1 ZINC000449907877 501123420 /nfs/dbraw/zinc/12/34/20/501123420.db2.gz QLDXFRGLSVVURC-FUHWJXTLSA-N 0 3 350.466 3.022 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)CC2(C#N)CCOCC2)[C@@H]1Oc1ccccc1 ZINC000602622451 506235819 /nfs/dbraw/zinc/23/58/19/506235819.db2.gz UQVQZFLKIJGZMZ-FFGOWVMKSA-N 0 3 358.482 3.300 20 30 FGEDHN CC1CCC(N(CC(=O)NCc2ccc(C#N)cc2)C[C@H]2CCCO2)CC1 ZINC000441438522 501139154 /nfs/dbraw/zinc/13/91/54/501139154.db2.gz RSRKDHLMCZJIDS-FBPXKMNZSA-N 0 3 369.509 3.234 20 30 FGEDHN COC1(CO)CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000447101439 501205104 /nfs/dbraw/zinc/20/51/04/501205104.db2.gz PCXQJHYOAYFWBU-UHFFFAOYSA-N 0 3 366.461 3.111 20 30 FGEDHN C[C@H](c1ccccc1)[C@@H](O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450219512 501213224 /nfs/dbraw/zinc/21/32/24/501213224.db2.gz WLUUHSCURPVIGL-XXBNENTESA-N 0 3 363.505 3.231 20 30 FGEDHN CCN(CC)[C@@H](CNc1nc2c(cc1C#N)COCC2)c1ccsc1 ZINC000450256804 501220373 /nfs/dbraw/zinc/22/03/73/501220373.db2.gz IPLYRIFFSCESQO-SFHVURJKSA-N 0 3 356.495 3.004 20 30 FGEDHN CCC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C ZINC000451430100 501292129 /nfs/dbraw/zinc/29/21/29/501292129.db2.gz CUCDVDKFXVEQGM-KRWDZBQOSA-N 0 3 353.470 3.487 20 30 FGEDHN Cc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ncc1C#N ZINC000457709498 501292194 /nfs/dbraw/zinc/29/21/94/501292194.db2.gz NCJMFNJVWCQKPX-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000457750278 501300619 /nfs/dbraw/zinc/30/06/19/501300619.db2.gz XIONNSDRYFKBCC-QHAWAJNXSA-N 0 3 356.510 3.385 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)N(CCC#N)c2ccccc2)C12CCC2 ZINC000451479819 501302417 /nfs/dbraw/zinc/30/24/17/501302417.db2.gz NHYKPFIINVZRLG-NZSAHSFTSA-N 0 3 355.482 3.259 20 30 FGEDHN CO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000451550991 501320820 /nfs/dbraw/zinc/32/08/20/501320820.db2.gz VUEHXXNRIZYPPM-BBRMVZONSA-N 0 3 361.511 3.184 20 30 FGEDHN C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000453426957 501329843 /nfs/dbraw/zinc/32/98/43/501329843.db2.gz VBJAWHHKHBXKPA-LJQANCHMSA-N 0 3 373.545 3.408 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000451594207 501332523 /nfs/dbraw/zinc/33/25/23/501332523.db2.gz AVBZBRNZFRSCMV-AHRSYUTCSA-N 0 3 350.462 3.214 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453448523 501334462 /nfs/dbraw/zinc/33/44/62/501334462.db2.gz CQXCQESXQJILMV-KRWDZBQOSA-N 0 3 369.513 3.450 20 30 FGEDHN CC(C)[C@H](CO)[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000451602360 501334854 /nfs/dbraw/zinc/33/48/54/501334854.db2.gz VJHXJUXHQHKNME-OWQGQXMQSA-N 0 3 365.905 3.417 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453459559 501338422 /nfs/dbraw/zinc/33/84/22/501338422.db2.gz CYCMSTJZFXTBOP-QGZVFWFLSA-N 0 3 364.497 3.313 20 30 FGEDHN C=C(C)Cn1c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453465761 501339921 /nfs/dbraw/zinc/33/99/21/501339921.db2.gz MYXLQWLALZKDKL-IIMDRIAPSA-N 0 3 373.545 3.046 20 30 FGEDHN C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CCN(Cc2ccccc2)C1 ZINC000451713620 501357897 /nfs/dbraw/zinc/35/78/97/501357897.db2.gz UURNGRNVUQNHMU-INIZCTEOSA-N 0 3 368.506 3.012 20 30 FGEDHN Cc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000458186926 501387478 /nfs/dbraw/zinc/38/74/78/501387478.db2.gz AJFPTEKTIRXONZ-UHFFFAOYSA-N 0 3 351.450 3.378 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@]4(CCSC4)C3)C2=O)cc1 ZINC000451977316 501412292 /nfs/dbraw/zinc/41/22/92/501412292.db2.gz NGEWUVDPQDICDR-ICSRJNTNSA-N 0 3 355.507 3.273 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)Nc1cccc(CC#N)c1 ZINC000455919999 501415932 /nfs/dbraw/zinc/41/59/32/501415932.db2.gz NAHWIAGAXHKOAU-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458328270 501421019 /nfs/dbraw/zinc/42/10/19/501421019.db2.gz WKANCLWUBXEDMW-AWEZNQCLSA-N 0 3 371.412 3.044 20 30 FGEDHN COc1cc(CN2C[C@@H](C)C[C@H](O)C2)ccc1OCc1cccc(C#N)c1 ZINC000452064840 501427876 /nfs/dbraw/zinc/42/78/76/501427876.db2.gz AMWKEOOXSZFKGH-JXFKEZNVSA-N 0 3 366.461 3.349 20 30 FGEDHN Cc1cc(C#N)cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000456009296 501437137 /nfs/dbraw/zinc/43/71/37/501437137.db2.gz SOBNMIXPIGNXKT-UHFFFAOYSA-N 0 3 361.449 3.334 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000456326872 501499393 /nfs/dbraw/zinc/49/93/93/501499393.db2.gz GVHVBDPEYNATOU-PGRDOPGGSA-N 0 3 351.494 3.441 20 30 FGEDHN CN(CC(C)(C)C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000458738642 501519593 /nfs/dbraw/zinc/51/95/93/501519593.db2.gz JHWGEAGTHIIZFU-SFHVURJKSA-N 0 3 356.514 3.478 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000454460326 501550625 /nfs/dbraw/zinc/55/06/25/501550625.db2.gz HUENNFCQBFUOMR-OAHLLOKOSA-N 0 3 367.415 3.431 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000454484340 501556956 /nfs/dbraw/zinc/55/69/56/501556956.db2.gz LOWOKZNCZPQLHE-HKUYNNGSSA-N 0 3 370.497 3.043 20 30 FGEDHN C=CC(C)(C)CNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000458990307 501572914 /nfs/dbraw/zinc/57/29/14/501572914.db2.gz RJMCOFXRJZNAEW-IRXDYDNUSA-N 0 3 351.535 3.120 20 30 FGEDHN C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)N(C)C ZINC000459049161 501583008 /nfs/dbraw/zinc/58/30/08/501583008.db2.gz YUFQALGATSCXKV-INIZCTEOSA-N 0 3 368.456 3.359 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccsc2)cc1 ZINC000588288958 506263032 /nfs/dbraw/zinc/26/30/32/506263032.db2.gz PVEQBKOKJXTLBM-LBPRGKRZSA-N 0 3 363.464 3.098 20 30 FGEDHN C=CCC[C@H](NCCN1C(=O)N[C@H](C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000459393401 501645566 /nfs/dbraw/zinc/64/55/66/501645566.db2.gz YEKXRDNBLCGBOU-DOMZBBRYSA-N 0 3 369.387 3.243 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NCCc3cccc(Cl)c3)C2=O)cc1 ZINC000459537134 501672205 /nfs/dbraw/zinc/67/22/05/501672205.db2.gz ZIWLRSBIIYLEMT-LJQANCHMSA-N 0 3 353.853 3.145 20 30 FGEDHN C[C@H](CN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459758826 501709982 /nfs/dbraw/zinc/70/99/82/501709982.db2.gz IONCONXHALSSOJ-OAHLLOKOSA-N 0 3 368.481 3.368 20 30 FGEDHN CC[C@@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000463504806 501744963 /nfs/dbraw/zinc/74/49/63/501744963.db2.gz AIDSIXZWJZLHTF-NHCUHLMSSA-N 0 3 371.525 3.434 20 30 FGEDHN COCC[C@H]1CCCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000467281639 501757614 /nfs/dbraw/zinc/75/76/14/501757614.db2.gz WTPIBXZSAJXNFO-KYBDOYODSA-N 0 3 363.546 3.444 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000477754746 501777389 /nfs/dbraw/zinc/77/73/89/501777389.db2.gz LKVXJYFMCISIHF-HOTGVXAUSA-N 0 3 363.468 3.006 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460383832 501810346 /nfs/dbraw/zinc/81/03/46/501810346.db2.gz WVBCTSODOCDAJR-FQEVSTJZSA-N 0 3 365.525 3.426 20 30 FGEDHN CC1CCN(CCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000477864246 501812827 /nfs/dbraw/zinc/81/28/27/501812827.db2.gz UHGVOHORNQNFAD-UHFFFAOYSA-N 0 3 367.415 3.088 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)[C@H]2C)c(OC)c1 ZINC000470946201 501865090 /nfs/dbraw/zinc/86/50/90/501865090.db2.gz FEIIURXLNCDRIJ-FVQBIDKESA-N 0 3 373.415 3.436 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460589256 501870217 /nfs/dbraw/zinc/87/02/17/501870217.db2.gz ZPHUQHZBGZTNMH-IRXDYDNUSA-N 0 3 354.502 3.144 20 30 FGEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470981413 501881719 /nfs/dbraw/zinc/88/17/19/501881719.db2.gz CPAKYZZUOLMMER-CEXWTWQISA-N 0 3 353.466 3.198 20 30 FGEDHN CN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474631084 501901745 /nfs/dbraw/zinc/90/17/45/501901745.db2.gz LQBSLLCHJMCVTK-GOSISDBHSA-N 0 3 352.413 3.436 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccccc2Cl)cc1 ZINC000471059582 501904842 /nfs/dbraw/zinc/90/48/42/501904842.db2.gz PXWCDUNJZKZBHU-MRXNPFEDSA-N 0 3 353.809 3.089 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc2)CC1 ZINC000464159041 501910964 /nfs/dbraw/zinc/91/09/64/501910964.db2.gz QEFVSYBKQJGJEC-NRFANRHFSA-N 0 3 356.514 3.275 20 30 FGEDHN CCCCCn1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)n1 ZINC000471095863 501917498 /nfs/dbraw/zinc/91/74/98/501917498.db2.gz OZWKFKCSYKSHAH-LJQANCHMSA-N 0 3 363.465 3.252 20 30 FGEDHN C=C(C)COCCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000474803350 501957393 /nfs/dbraw/zinc/95/73/93/501957393.db2.gz AOQSXDQHNWJZPK-JOCHJYFZSA-N 0 3 371.525 3.277 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485877156 501971865 /nfs/dbraw/zinc/97/18/65/501971865.db2.gz UQFVJYPLIKYTFN-PWRODBHTSA-N 0 3 364.493 3.301 20 30 FGEDHN CN(C)C(=O)c1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464411035 501982313 /nfs/dbraw/zinc/98/23/13/501982313.db2.gz NURKOCLGEXDIJJ-AWEZNQCLSA-N 0 3 361.323 3.292 20 30 FGEDHN CN(C)C(=O)c1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464462728 501996974 /nfs/dbraw/zinc/99/69/74/501996974.db2.gz DCGRLYLPYXZXEY-AWEZNQCLSA-N 0 3 361.323 3.292 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OCc3ccccn3)cc2)CC1 ZINC000461117375 502018154 /nfs/dbraw/zinc/01/81/54/502018154.db2.gz UARDZADDNXOPJR-UHFFFAOYSA-N 0 3 365.477 3.431 20 30 FGEDHN CCN1CCC(N(C)CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000471710662 502115386 /nfs/dbraw/zinc/11/53/86/502115386.db2.gz CORSPIAVXLCBOG-UHFFFAOYSA-N 0 3 352.482 3.154 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475312200 502129547 /nfs/dbraw/zinc/12/95/47/502129547.db2.gz BDLIJDWZVIULHR-PXNSSMCTSA-N 0 3 363.461 3.058 20 30 FGEDHN CCO[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1=CCCC1 ZINC000465031652 502176359 /nfs/dbraw/zinc/17/63/59/502176359.db2.gz OHABKSVBJPQTPY-NRFANRHFSA-N 0 3 369.509 3.354 20 30 FGEDHN Cc1[nH]c2ccccc2c1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472023368 502202963 /nfs/dbraw/zinc/20/29/63/502202963.db2.gz WUODLJHYNLDZSK-GOSISDBHSA-N 0 3 356.429 3.389 20 30 FGEDHN Cc1nc(CN(C)[C@H]2CCCN(Cc3ccc(C#N)c(C)c3)CC2)no1 ZINC000475641834 502240726 /nfs/dbraw/zinc/24/07/26/502240726.db2.gz UTAGQECNCYTLKJ-IBGZPJMESA-N 0 3 353.470 3.045 20 30 FGEDHN CCc1ccc([C@H](NC(=O)C(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000469019212 502265948 /nfs/dbraw/zinc/26/59/48/502265948.db2.gz UPFATEPVQQSSMU-LIRRHRJNSA-N 0 3 370.474 3.018 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN(CCCO)Cc2ccccc2)cc1Cl ZINC000486814651 502273454 /nfs/dbraw/zinc/27/34/54/502273454.db2.gz VDFBWFUFMJTZMC-UHFFFAOYSA-N 0 3 371.868 3.425 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465539202 502297910 /nfs/dbraw/zinc/29/79/10/502297910.db2.gz JBTCHRBCEVQPFU-YZGWKJHDSA-N 0 3 354.498 3.200 20 30 FGEDHN N#CC(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nccc2ccccc21 ZINC000483231305 502320718 /nfs/dbraw/zinc/32/07/18/502320718.db2.gz JAHLYVFHZYAMDR-AWEZNQCLSA-N 0 3 361.313 3.362 20 30 FGEDHN O=C(CN(CC1CC1)C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000483307720 502345781 /nfs/dbraw/zinc/34/57/81/502345781.db2.gz NVUYCXQUWHGDAK-UHFFFAOYSA-N 0 3 364.411 3.438 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469375199 502391616 /nfs/dbraw/zinc/39/16/16/502391616.db2.gz LWENUVVOQSQVCL-UHFFFAOYSA-N 0 3 350.466 3.325 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC000462724942 502550595 /nfs/dbraw/zinc/55/05/95/502550595.db2.gz KGJBZOHLTOLOSX-IBGZPJMESA-N 0 3 366.461 3.021 20 30 FGEDHN Cc1cccc(N2CCN(CCCCNc3ccc(C#N)c(C)n3)CC2)c1 ZINC000487909214 502563280 /nfs/dbraw/zinc/56/32/80/502563280.db2.gz AZPVIXSDTJZQAF-UHFFFAOYSA-N 0 3 363.509 3.006 20 30 FGEDHN N#Cc1cccc(Cl)c1NCCCN1CCN(c2ccncc2)CC1 ZINC000462788442 502573352 /nfs/dbraw/zinc/57/33/52/502573352.db2.gz BEEOQNSTPUPLSQ-UHFFFAOYSA-N 0 3 355.873 3.231 20 30 FGEDHN CN(C)CCOc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccn1 ZINC000480579049 502609535 /nfs/dbraw/zinc/60/95/35/502609535.db2.gz OIULEZNIXJTBJN-QGZVFWFLSA-N 0 3 352.438 3.048 20 30 FGEDHN N#Cc1cc(F)ccc1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000462925065 502628829 /nfs/dbraw/zinc/62/88/29/502628829.db2.gz UACSVXWFQVRHNM-UHFFFAOYSA-N 0 3 352.457 3.317 20 30 FGEDHN CN1CCN(CCCNc2ccc(F)cc2C#N)[C@H](c2ccccc2)C1 ZINC000462928152 502629679 /nfs/dbraw/zinc/62/96/79/502629679.db2.gz XKXPXXOLIBRHQH-NRFANRHFSA-N 0 3 352.457 3.488 20 30 FGEDHN Cc1nc(NCCCOC2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000488131075 502636392 /nfs/dbraw/zinc/63/63/92/502636392.db2.gz TWRACYDWYAFPHR-UHFFFAOYSA-N 0 3 364.493 3.167 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(C(=O)OC)ccc2C(C)C)CC1 ZINC000466675581 502639642 /nfs/dbraw/zinc/63/96/42/502639642.db2.gz IFSXBFGBBPVCMA-UHFFFAOYSA-N 0 3 359.470 3.369 20 30 FGEDHN CC1CCC(N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000473589664 502648515 /nfs/dbraw/zinc/64/85/15/502648515.db2.gz GZSPUFBPAXLMHG-UHFFFAOYSA-N 0 3 351.494 3.313 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCC[C@H](O)C1 ZINC000488220105 502662901 /nfs/dbraw/zinc/66/29/01/502662901.db2.gz UFECEBUESPHREL-IRXDYDNUSA-N 0 3 364.559 3.136 20 30 FGEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000481146697 502765179 /nfs/dbraw/zinc/76/51/79/502765179.db2.gz XQECWPYPYOQYEU-IXDOHACOSA-N 0 3 357.498 3.198 20 30 FGEDHN CC(C#N)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000470479043 502789664 /nfs/dbraw/zinc/78/96/64/502789664.db2.gz YQNMJUGJFGAOLU-LBPRGKRZSA-N 0 3 351.244 3.116 20 30 FGEDHN N#Cc1cccc(OCCN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000463444498 502807703 /nfs/dbraw/zinc/80/77/03/502807703.db2.gz SCNGWDMULKBIFT-QFIPXVFZSA-N 0 3 350.462 3.254 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463445728 502808297 /nfs/dbraw/zinc/80/82/97/502808297.db2.gz VHENPVDUDWKABD-UGKGYDQZSA-N 0 3 358.526 3.117 20 30 FGEDHN COC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n1C ZINC000496353719 502886030 /nfs/dbraw/zinc/88/60/30/502886030.db2.gz ATJYVYQVBORNMG-JTQLQIEISA-N 0 3 372.331 3.047 20 30 FGEDHN CCCCN1CCCC[C@@H]1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000509549146 502932608 /nfs/dbraw/zinc/93/26/08/502932608.db2.gz MBUOSCFBNFVWRG-LJQANCHMSA-N 0 3 357.473 3.500 20 30 FGEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000505777609 502983974 /nfs/dbraw/zinc/98/39/74/502983974.db2.gz QKHXGAAIJJUZHT-GFCCVEGCSA-N 0 3 351.387 3.313 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000513652868 502991579 /nfs/dbraw/zinc/99/15/79/502991579.db2.gz BPHKBFACMGXATI-CYBMUJFWSA-N 0 3 359.345 3.453 20 30 FGEDHN COc1ccc(NC(=O)CCN2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602906390 506345629 /nfs/dbraw/zinc/34/56/29/506345629.db2.gz HGSLTDBZPGWIRI-UHFFFAOYSA-N 0 3 364.449 3.170 20 30 FGEDHN C=CCc1ccc(OCC(=O)N[C@H](C)CN2CCC[C@H](C)C2)c(OC)c1 ZINC000501459256 503013602 /nfs/dbraw/zinc/01/36/02/503013602.db2.gz SPLHKNSYJYPPAP-DLBZAZTESA-N 0 3 360.498 3.039 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cc1 ZINC000513750811 503015706 /nfs/dbraw/zinc/01/57/06/503015706.db2.gz PMYDKQBGFKZVRS-RBUKOAKNSA-N 0 3 371.387 3.365 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000513859544 503038040 /nfs/dbraw/zinc/03/80/40/503038040.db2.gz MWAOBSFMJKTJIC-DZJNRPSUSA-N 0 3 360.523 3.198 20 30 FGEDHN C[C@@]1(c2ccccc2)CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000510134936 503056889 /nfs/dbraw/zinc/05/68/89/503056889.db2.gz RJIRTIJJBLXFAG-OAQYLSRUSA-N 0 3 352.482 3.086 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc(F)cc1F)C(C)C ZINC000514075036 503080571 /nfs/dbraw/zinc/08/05/71/503080571.db2.gz YPNNEQVLPDZNNZ-GOSISDBHSA-N 0 3 351.441 3.463 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000514413578 503128668 /nfs/dbraw/zinc/12/86/68/503128668.db2.gz MFKRQBNYUZEHEL-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)COc1ccc(C#N)cc1)N(C)C ZINC000510509878 503128832 /nfs/dbraw/zinc/12/88/32/503128832.db2.gz FVQXFJWDZUCVBF-IERDGZPVSA-N 0 3 351.450 3.053 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1COc2ccc(OC)cc2C1)C(C)C ZINC000498355670 503166134 /nfs/dbraw/zinc/16/61/34/503166134.db2.gz QREZKKNAURBCCA-UYAOXDASSA-N 0 3 372.509 3.061 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2CCc3ccc(C#N)cc32)[C@H](C(F)(F)F)C1 ZINC000490395929 503166935 /nfs/dbraw/zinc/16/69/35/503166935.db2.gz HIMFUFPAUGFMOY-HUUCEWRRSA-N 0 3 365.399 3.356 20 30 FGEDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000498363644 503169636 /nfs/dbraw/zinc/16/96/36/503169636.db2.gz KVNMOXXDDQYGMQ-SFTDATJTSA-N 0 3 363.461 3.142 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510944448 503223044 /nfs/dbraw/zinc/22/30/44/503223044.db2.gz GAGOXZLKUSCBND-ZFWWWQNUSA-N 0 3 353.388 3.400 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000511230636 503283994 /nfs/dbraw/zinc/28/39/94/503283994.db2.gz RVDNKKGZQQKBMS-QGZVFWFLSA-N 0 3 354.498 3.376 20 30 FGEDHN COc1ccccc1-c1ncc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000491374843 503301382 /nfs/dbraw/zinc/30/13/82/503301382.db2.gz MLIODUODOVBKIR-UHFFFAOYSA-N 0 3 360.417 3.192 20 30 FGEDHN C=CCCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511561233 503343768 /nfs/dbraw/zinc/34/37/68/503343768.db2.gz PPRFHIWSVBTTGD-LJQANCHMSA-N 0 3 359.514 3.179 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC1 ZINC000511604961 503352983 /nfs/dbraw/zinc/35/29/83/503352983.db2.gz IFXANQPGIAYBFI-MRXNPFEDSA-N 0 3 367.371 3.188 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(Cc2nccs2)CC1 ZINC000602957958 506367536 /nfs/dbraw/zinc/36/75/36/506367536.db2.gz WFEYJKAZMUVFMC-UHFFFAOYSA-N 0 3 354.479 3.298 20 30 FGEDHN CCCn1nccc1C1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000503394394 503400297 /nfs/dbraw/zinc/40/02/97/503400297.db2.gz RTSJNNOIWROGIL-UHFFFAOYSA-N 0 3 368.481 3.432 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000503408370 503402532 /nfs/dbraw/zinc/40/25/32/503402532.db2.gz SRCBRWLWDDCPGA-FUHWJXTLSA-N 0 3 373.497 3.474 20 30 FGEDHN C=CCc1ccc(OCC(=O)NCCN2CCCC[C@@H]2CC)c(OC)c1 ZINC000499672900 503454408 /nfs/dbraw/zinc/45/44/08/503454408.db2.gz YAXGXNRIOXORFO-SFHVURJKSA-N 0 3 360.498 3.183 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CSC[C@@H]2C)c1C#N ZINC000512217624 503489397 /nfs/dbraw/zinc/48/93/97/503489397.db2.gz GXTKOMRTVGEPMA-SJCJKPOMSA-N 0 3 360.527 3.371 20 30 FGEDHN COc1ccccc1/C=C\CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503919293 503489721 /nfs/dbraw/zinc/48/97/21/503489721.db2.gz GAKNVOGFWYULSA-DHBDYNCWSA-N 0 3 361.445 3.365 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccco1 ZINC000516334867 503496744 /nfs/dbraw/zinc/49/67/44/503496744.db2.gz RUTYAGLXWYVEBK-MPGHIAIKSA-N 0 3 355.438 3.164 20 30 FGEDHN CCc1nc(CN2CCC(CNCc3nc(C#N)cs3)CC2)cs1 ZINC000516516546 503525475 /nfs/dbraw/zinc/52/54/75/503525475.db2.gz VUQXQULNQKNPIN-UHFFFAOYSA-N 0 3 361.540 3.035 20 30 FGEDHN C=CCn1c(-c2ccccc2)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000508735849 503554008 /nfs/dbraw/zinc/55/40/08/503554008.db2.gz XOFRPDYDCHZVFP-LJQANCHMSA-N 0 3 369.513 3.068 20 30 FGEDHN C[C@H]1C[C@H]1c1noc(CC2CCN(CCOc3ccccc3C#N)CC2)n1 ZINC000593077622 506378760 /nfs/dbraw/zinc/37/87/60/506378760.db2.gz NILQYLIJWPUCAZ-MAUKXSAKSA-N 0 3 366.465 3.398 20 30 FGEDHN COc1cc(C[C@H](CO)CN[C@H](C)c2ccc(C#N)cc2F)cc(OC)c1 ZINC000512618926 503596707 /nfs/dbraw/zinc/59/67/07/503596707.db2.gz KMULZVSWYWBHIX-PBHICJAKSA-N 0 3 372.440 3.216 20 30 FGEDHN C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508919359 503600699 /nfs/dbraw/zinc/60/06/99/503600699.db2.gz HKKPOCCZHFDBMK-QGZVFWFLSA-N 0 3 357.527 3.181 20 30 FGEDHN C[C@@H](N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(C#N)cc1F ZINC000512647719 503602635 /nfs/dbraw/zinc/60/26/35/503602635.db2.gz JHHLRDBVAQOKAI-YLJYHZDGSA-N 0 3 367.468 3.291 20 30 FGEDHN Cc1ccc([C@H](CN[C@@H](C)c2ccc(C#N)cc2F)N2CCOCC2)o1 ZINC000512655137 503604934 /nfs/dbraw/zinc/60/49/34/503604934.db2.gz RTWUEQOSJSTOMO-KXBFYZLASA-N 0 3 357.429 3.323 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000540053072 503653215 /nfs/dbraw/zinc/65/32/15/503653215.db2.gz OOOHDCQLSUNBDM-MRXNPFEDSA-N 0 3 364.287 3.348 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000532933704 503662648 /nfs/dbraw/zinc/66/26/48/503662648.db2.gz AVRBBUSPDAEHNI-UHFFFAOYSA-N 0 3 352.463 3.286 20 30 FGEDHN Cn1ccnc1[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000527100444 503679261 /nfs/dbraw/zinc/67/92/61/503679261.db2.gz OQWMCATZVMXRAJ-ABHNRTSZSA-N 0 3 351.454 3.118 20 30 FGEDHN C=CCNC(=O)CN(Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C ZINC000536744138 503709275 /nfs/dbraw/zinc/70/92/75/503709275.db2.gz NKOSOKWWDHOIKE-AEFFLSMTSA-N 0 3 360.498 3.387 20 30 FGEDHN N#Cc1cccc(CNC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000533054621 503716310 /nfs/dbraw/zinc/71/63/10/503716310.db2.gz MIUBPQFNRXPUDN-OAQYLSRUSA-N 0 3 351.425 3.445 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000517544128 503766612 /nfs/dbraw/zinc/76/66/12/503766612.db2.gz FOUSMTJCQTUEQH-ZWKOTPCHSA-N 0 3 350.409 3.055 20 30 FGEDHN N#Cc1cc(NCc2ccccc2CN2CCC(O)CC2)nc2ccccc12 ZINC000533228544 503768394 /nfs/dbraw/zinc/76/83/94/503768394.db2.gz XAKXTVVZXYORDR-UHFFFAOYSA-N 0 3 372.472 3.097 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccccc1 ZINC000540459141 503777441 /nfs/dbraw/zinc/77/74/41/503777441.db2.gz WIRIPKPCYLPBSF-IBGZPJMESA-N 0 3 351.450 3.310 20 30 FGEDHN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000540476003 503783207 /nfs/dbraw/zinc/78/32/07/503783207.db2.gz GXIDWGSZGJIVRH-QGZVFWFLSA-N 0 3 362.477 3.125 20 30 FGEDHN CCN(CCC#N)C(=O)CN[C@H](COc1c(C)cccc1C)C(C)(C)C ZINC000540524395 503805002 /nfs/dbraw/zinc/80/50/02/503805002.db2.gz GCKHTDSIUANZJN-GOSISDBHSA-N 0 3 359.514 3.449 20 30 FGEDHN Cc1cccc(N2CCN(CCCNCc3ccc(C#N)cc3F)CC2)c1 ZINC000533449324 503851712 /nfs/dbraw/zinc/85/17/12/503851712.db2.gz DFLHDOQQNRYKEA-UHFFFAOYSA-N 0 3 366.484 3.308 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N([C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530210654 503878672 /nfs/dbraw/zinc/87/86/72/503878672.db2.gz HEXHBXXPNROBHL-GJZGRUSLSA-N 0 3 370.280 3.483 20 30 FGEDHN CC1(C)C[C@H](NC[C@H](O)COc2ccccc2C#N)c2ccc(F)cc2O1 ZINC000530230883 503883591 /nfs/dbraw/zinc/88/35/91/503883591.db2.gz CXYCFSBPBHMVNW-WMZOPIPTSA-N 0 3 370.424 3.329 20 30 FGEDHN C[C@@H](NCC1(c2ccc(F)cc2F)CCCC1)C(=O)NC1(C#N)CCC1 ZINC000530327037 503927316 /nfs/dbraw/zinc/92/73/16/503927316.db2.gz SBHDJXKNXQNETG-CQSZACIVSA-N 0 3 361.436 3.317 20 30 FGEDHN COc1ccc(C[C@H](C)CN2CCN(c3cc(C#N)ccn3)CC2)cc1F ZINC000547016242 503956338 /nfs/dbraw/zinc/95/63/38/503956338.db2.gz LDJPFOUAGPDJKO-INIZCTEOSA-N 0 3 368.456 3.102 20 30 FGEDHN CN(C)CCOc1cccc(-c2noc(COc3ccccc3C#N)n2)c1 ZINC000547109587 503986896 /nfs/dbraw/zinc/98/68/96/503986896.db2.gz VPXJVJJRZZDKCS-UHFFFAOYSA-N 0 3 364.405 3.128 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)CC1 ZINC000530695363 504055773 /nfs/dbraw/zinc/05/57/73/504055773.db2.gz IVFNKEREEVOTPG-UHFFFAOYSA-N 0 3 351.450 3.143 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H]2Cc2ccccc2)c(OC)c1 ZINC000530756690 504077999 /nfs/dbraw/zinc/07/79/99/504077999.db2.gz HIBIKGAPOZMCBH-SFTDATJTSA-N 0 3 367.489 3.480 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000541348814 504101070 /nfs/dbraw/zinc/10/10/70/504101070.db2.gz JKMOMYSWQZMVQV-QGZVFWFLSA-N 0 3 367.415 3.375 20 30 FGEDHN COC[C@]1(CN[C@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000519036815 504125164 /nfs/dbraw/zinc/12/51/64/504125164.db2.gz HXIWAYRPZGUCOQ-VFNWGFHPSA-N 0 3 354.425 3.463 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)c1ccccc1 ZINC000519213519 504166197 /nfs/dbraw/zinc/16/61/97/504166197.db2.gz JRPJEGWXZNLXRR-LJQANCHMSA-N 0 3 371.525 3.143 20 30 FGEDHN Cc1ccc(OC2CCN(C[C@H](O)COc3ccccc3C#N)CC2)cc1 ZINC000528380450 504198140 /nfs/dbraw/zinc/19/81/40/504198140.db2.gz FIGIJOOGMMKBKW-IBGZPJMESA-N 0 3 366.461 3.150 20 30 FGEDHN Cc1cccc(C)c1OC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C ZINC000538321588 504204872 /nfs/dbraw/zinc/20/48/72/504204872.db2.gz QOEOQTKDMNUORC-GCJKJVERSA-N 0 3 371.525 3.495 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C)N(C[C@H](O)COc1ccccc1C#N)[C@@H]2C ZINC000528442476 504225924 /nfs/dbraw/zinc/22/59/24/504225924.db2.gz MDHSNPNWPYAESP-FCEWJHQRSA-N 0 3 366.461 3.314 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)CC1 ZINC000528448596 504228470 /nfs/dbraw/zinc/22/84/70/504228470.db2.gz KPAWXVSAIBKUIW-UONOGXRCSA-N 0 3 369.328 3.381 20 30 FGEDHN N#CC(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccncn1 ZINC000544815117 504268254 /nfs/dbraw/zinc/26/82/54/504268254.db2.gz XVSOAUPNBXABIA-SFHVURJKSA-N 0 3 369.384 3.193 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)s1 ZINC000531384671 504288514 /nfs/dbraw/zinc/28/85/14/504288514.db2.gz QHVQJYDBTGTLSD-UHFFFAOYSA-N 0 3 366.490 3.404 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)CC2(O)CCC2)cc1OC ZINC000544928701 504303155 /nfs/dbraw/zinc/30/31/55/504303155.db2.gz GTZNGGZWJKASNV-UHFFFAOYSA-N 0 3 370.287 3.369 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3F)CC2)cc1 ZINC000531528288 504335580 /nfs/dbraw/zinc/33/55/80/504335580.db2.gz HXQJVAWBNWUNDZ-FQEVSTJZSA-N 0 3 368.452 3.392 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528713883 504345340 /nfs/dbraw/zinc/34/53/40/504345340.db2.gz KEBGUXFIQPVRRW-UHFFFAOYSA-N 0 3 364.449 3.484 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC(CC#N)CC1)C1CC1 ZINC000548142095 504346572 /nfs/dbraw/zinc/34/65/72/504346572.db2.gz WRDSSNDEJWTJAS-FQEVSTJZSA-N 0 3 354.498 3.232 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(F)c(C#N)c1 ZINC000548414293 504436768 /nfs/dbraw/zinc/43/67/68/504436768.db2.gz DBESPTPLPDZIAS-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000548420235 504439294 /nfs/dbraw/zinc/43/92/94/504439294.db2.gz QAMZSLKSPZXQFZ-INIZCTEOSA-N 0 3 351.425 3.434 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000542312904 504447299 /nfs/dbraw/zinc/44/72/99/504447299.db2.gz FXYGCPQVOIEHDN-LEWJYISDSA-N 0 3 355.482 3.097 20 30 FGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528915062 504448164 /nfs/dbraw/zinc/44/81/64/504448164.db2.gz DEGMOYIJUZAUJB-OTWHNJEPSA-N 0 3 350.393 3.345 20 30 FGEDHN CCN(C[C@@H]1CCCN1CC)C(=O)CCCCOc1cccc(C#N)c1 ZINC000548453790 504452760 /nfs/dbraw/zinc/45/27/60/504452760.db2.gz VINQAHICPLXXFL-IBGZPJMESA-N 0 3 357.498 3.440 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616739 504497046 /nfs/dbraw/zinc/49/70/46/504497046.db2.gz LVTNDLPXQHYKMF-LIRRHRJNSA-N 0 3 353.853 3.462 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616735 504497822 /nfs/dbraw/zinc/49/78/22/504497822.db2.gz LVTNDLPXQHYKMF-AUUYWEPGSA-N 0 3 353.853 3.462 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000520461613 504504283 /nfs/dbraw/zinc/50/42/83/504504283.db2.gz NDWGDSATGBETJN-QZTJIDSGSA-N 0 3 353.514 3.282 20 30 FGEDHN CC(C)N1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000520700425 504559806 /nfs/dbraw/zinc/55/98/06/504559806.db2.gz MEQOJOLXSRCSIN-UHFFFAOYSA-N 0 3 365.481 3.020 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)o1 ZINC000539511031 504594374 /nfs/dbraw/zinc/59/43/74/504594374.db2.gz VDVGWZNWUYWLPF-LBPRGKRZSA-N 0 3 351.328 3.418 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000542880808 504645978 /nfs/dbraw/zinc/64/59/78/504645978.db2.gz VPYJKSLNMWECBP-MRUHUIDDSA-N 0 3 367.497 3.274 20 30 FGEDHN C=C(C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529450402 504679449 /nfs/dbraw/zinc/67/94/49/504679449.db2.gz JVCUISONYAXBSQ-QZTJIDSGSA-N 0 3 355.507 3.441 20 30 FGEDHN CCO[C@@H]1COCC[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000546054968 504690641 /nfs/dbraw/zinc/69/06/41/504690641.db2.gz BQFPTCZMFRWOMV-FCHUYYIVSA-N 0 3 366.461 3.421 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CNC1(c2ccccc2)CCOCC1 ZINC000532711144 504742099 /nfs/dbraw/zinc/74/20/99/504742099.db2.gz YMNGLWJGMCRXSE-UHFFFAOYSA-N 0 3 369.852 3.446 20 30 FGEDHN CN(C)[C@H](CNc1nc2cc(Cl)ccn2c1C#N)Cc1ccccc1 ZINC000552908093 504786494 /nfs/dbraw/zinc/78/64/94/504786494.db2.gz HGJUTQRQHQZEOO-INIZCTEOSA-N 0 3 353.857 3.444 20 30 FGEDHN C=CCOCCN[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000559247821 504807915 /nfs/dbraw/zinc/80/79/15/504807915.db2.gz JDUCWXFDRJVLNV-NQIIRXRSSA-N 0 3 357.425 3.369 20 30 FGEDHN CN1CCC[C@H](CNc2nc3c(cc2C#N)COCC3)[C@H]1c1cccs1 ZINC000556200422 504818766 /nfs/dbraw/zinc/81/87/66/504818766.db2.gz IKWUIFAXMBRTEU-KUHUBIRLSA-N 0 3 368.506 3.004 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1C#N ZINC000562623724 504884426 /nfs/dbraw/zinc/88/44/26/504884426.db2.gz LKSPBZQYHBCGLT-KRWDZBQOSA-N 0 3 356.470 3.438 20 30 FGEDHN N#Cc1ccccc1N1CCCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000559793730 504928703 /nfs/dbraw/zinc/92/87/03/504928703.db2.gz QDOJYAQMBOSBFM-JOCHJYFZSA-N 0 3 360.505 3.345 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(Cl)cc2Cl)s1 ZINC000565594282 504933095 /nfs/dbraw/zinc/93/30/95/504933095.db2.gz MBPRKDYOWRIFCT-LLVKDONJSA-N 0 3 357.262 3.456 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000549920154 504934114 /nfs/dbraw/zinc/93/41/14/504934114.db2.gz QYAAXSBBXAYTGS-HZZDSMARSA-N 0 3 373.884 3.476 20 30 FGEDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000562866038 504969218 /nfs/dbraw/zinc/96/92/18/504969218.db2.gz XMZKFYHOUUIRTD-QAPCUYQASA-N 0 3 369.421 3.060 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NCc2ncc(C#N)cn2)CC1 ZINC000565764841 504981945 /nfs/dbraw/zinc/98/19/45/504981945.db2.gz SSMMDNGGLWGSJO-UHFFFAOYSA-N 0 3 357.845 3.087 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCOC1CCC1 ZINC000553718134 504990214 /nfs/dbraw/zinc/99/02/14/504990214.db2.gz NWUSJZBFXVPBSD-UHFFFAOYSA-N 0 3 350.532 3.154 20 30 FGEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(NC(=O)C2CC2)cc1 ZINC000560255559 505031364 /nfs/dbraw/zinc/03/13/64/505031364.db2.gz XQUPIUWCAPOIOV-CQSZACIVSA-N 0 3 359.433 3.405 20 30 FGEDHN CNC(=O)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Cc1ccc(F)cc1C ZINC000563126096 505054946 /nfs/dbraw/zinc/05/49/46/505054946.db2.gz RHDBPLAOBSSVHY-HNAYVOBHSA-N 0 3 353.441 3.261 20 30 FGEDHN Cc1ccnc([C@@H]2CCN(CC#CCN3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018129 505057219 /nfs/dbraw/zinc/05/72/19/505057219.db2.gz VMIHISARXUTHCB-SZPZYZBQSA-N 0 3 374.532 3.376 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCC1 ZINC000560494140 505102937 /nfs/dbraw/zinc/10/29/37/505102937.db2.gz FJVMPUMMNKGNSN-HZPDHXFCSA-N 0 3 365.399 3.494 20 30 FGEDHN COc1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1OCCCC#N ZINC000560568377 505128824 /nfs/dbraw/zinc/12/88/24/505128824.db2.gz YNILVXRSJBAJQT-IBGZPJMESA-N 0 3 374.481 3.148 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2ccnc(C#N)c2)N(CC)CC)cc1 ZINC000566315957 505142080 /nfs/dbraw/zinc/14/20/80/505142080.db2.gz DVHPHHDDQLLQQM-FQEVSTJZSA-N 0 3 350.466 3.329 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CC)[C@@H](C)CO)cc1OC ZINC000560608628 505142353 /nfs/dbraw/zinc/14/23/53/505142353.db2.gz XYRISLFWLVWJCT-LBPRGKRZSA-N 0 3 358.276 3.225 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ncc(C#N)cc3C)C2)s1 ZINC000566347816 505150887 /nfs/dbraw/zinc/15/08/87/505150887.db2.gz AEZQTGPZDIQVKO-MRXNPFEDSA-N 0 3 368.506 3.226 20 30 FGEDHN Cc1nsc(NCCCCN2CCN(Cc3ccccc3)CC2)c1C#N ZINC000557508484 505152840 /nfs/dbraw/zinc/15/28/40/505152840.db2.gz QPPMSCBKEOZRPA-UHFFFAOYSA-N 0 3 369.538 3.333 20 30 FGEDHN N#CC1(CN[C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 ZINC000563591288 505186178 /nfs/dbraw/zinc/18/61/78/505186178.db2.gz OYAKUFQAACOGES-HZPDHXFCSA-N 0 3 351.450 3.267 20 30 FGEDHN CCN(CC)[C@H](CNc1ccc(C(=O)OC)nc1C#N)c1ccsc1 ZINC000566478758 505186336 /nfs/dbraw/zinc/18/63/36/505186336.db2.gz RNDRIKFZAWCRAG-QGZVFWFLSA-N 0 3 358.467 3.296 20 30 FGEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000551651055 505274331 /nfs/dbraw/zinc/27/43/31/505274331.db2.gz TZPLYOULUZDSNH-IBGZPJMESA-N 0 3 351.425 3.434 20 30 FGEDHN C=CCOc1ccccc1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000561321853 505314135 /nfs/dbraw/zinc/31/41/35/505314135.db2.gz QOIZQCCZZSHPEY-UHFFFAOYSA-N 0 3 353.466 3.241 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000561373153 505328619 /nfs/dbraw/zinc/32/86/19/505328619.db2.gz YTUNTQKPHWHKKT-UWJYYQICSA-N 0 3 359.473 3.369 20 30 FGEDHN CN(C)C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000555115026 505353948 /nfs/dbraw/zinc/35/39/48/505353948.db2.gz PVBQSKCXGDJSIU-SFHVURJKSA-N 0 3 356.857 3.314 20 30 FGEDHN CN(c1nnc(-c2cccc(C#N)c2)n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000564360162 505394841 /nfs/dbraw/zinc/39/48/41/505394841.db2.gz XHDQPSJIMQRTGH-FQEVSTJZSA-N 0 3 372.476 3.064 20 30 FGEDHN COC[C@]1(CN[C@@H](C)c2ccc(C#N)c(F)c2)OCCc2ccccc21 ZINC000564379145 505401043 /nfs/dbraw/zinc/40/10/43/505401043.db2.gz KSYVRBYBYIGOGB-BTYIYWSLSA-N 0 3 354.425 3.463 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(N(C)C)c3ccccc3n2)CC1 ZINC000558522116 505416110 /nfs/dbraw/zinc/41/61/10/505416110.db2.gz DGNOKAYLFFYJMY-UHFFFAOYSA-N 0 3 352.482 3.071 20 30 FGEDHN CCOC(=O)CC(C)(C)CCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000561841531 505447742 /nfs/dbraw/zinc/44/77/42/505447742.db2.gz IPOHJSVFNDMIPI-UHFFFAOYSA-N 0 3 361.461 3.189 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cncc(Br)c1 ZINC000561973707 505482435 /nfs/dbraw/zinc/48/24/35/505482435.db2.gz CGTVVOBKVZWPDO-UHFFFAOYSA-N 0 3 373.298 3.280 20 30 FGEDHN C=CCOc1ccccc1CN[C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000558791917 505493421 /nfs/dbraw/zinc/49/34/21/505493421.db2.gz WCLLXZPTEZDKGK-QGZVFWFLSA-N 0 3 374.506 3.098 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)N1CCN(CC2CCCCC2)CC1 ZINC000558956028 505538546 /nfs/dbraw/zinc/53/85/46/505538546.db2.gz YXWQUXGUCUYLTB-UHFFFAOYSA-N 0 3 357.473 3.085 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000564859512 505541482 /nfs/dbraw/zinc/54/14/82/505541482.db2.gz FSMWHMYYLVLKAD-WIYYLYMNSA-N 0 3 354.425 3.242 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])ccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596436296 506403733 /nfs/dbraw/zinc/40/37/33/506403733.db2.gz KNFZEUXIOZSBRZ-UHFFFAOYSA-N 0 3 351.410 3.186 20 30 FGEDHN Cc1c(Cl)cnc(NCC2CCN(Cc3ccncc3)CC2)c1C#N ZINC000596441939 506405470 /nfs/dbraw/zinc/40/54/70/506405470.db2.gz SFNYEVIBDZDUQM-UHFFFAOYSA-N 0 3 355.873 3.056 20 30 FGEDHN CN(Cc1cccc(OC(F)(F)F)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599312306 506406517 /nfs/dbraw/zinc/40/65/17/506406517.db2.gz PHXZFFRMIGAUGO-OAHLLOKOSA-N 0 3 372.387 3.088 20 30 FGEDHN CC(C)Oc1cccc(CN(C)C[C@H](O)COc2ccccc2C#N)c1 ZINC000599339528 506419437 /nfs/dbraw/zinc/41/94/37/506419437.db2.gz KNKGNISLSMMPIW-IBGZPJMESA-N 0 3 354.450 3.217 20 30 FGEDHN CCOc1ccccc1[C@@H](CC)NC[C@@H](O)COc1ccccc1C#N ZINC000599351104 506423622 /nfs/dbraw/zinc/42/36/22/506423622.db2.gz XJMCNKKRQQKMJO-IEBWSBKVSA-N 0 3 354.450 3.438 20 30 FGEDHN CC[C@H](NCc1ccc(C)c(C#N)c1)c1ccccc1OCC(=O)NC ZINC000599351101 506424073 /nfs/dbraw/zinc/42/40/73/506424073.db2.gz XGDMTGAHFRRVIM-IBGZPJMESA-N 0 3 351.450 3.232 20 30 FGEDHN N#Cc1cc(NC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ccn1 ZINC000603127047 506430517 /nfs/dbraw/zinc/43/05/17/506430517.db2.gz QYEOMVAPFXIJJT-OAQYLSRUSA-N 0 3 361.449 3.083 20 30 FGEDHN N#Cc1cc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)ccn1 ZINC000603129321 506432261 /nfs/dbraw/zinc/43/22/61/506432261.db2.gz LCBWLQPICAHFLD-UHFFFAOYSA-N 0 3 363.465 3.126 20 30 FGEDHN COC(=O)[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccsc1 ZINC000593183881 506446850 /nfs/dbraw/zinc/44/68/50/506446850.db2.gz MQQLQVVNPIZEEE-IBGZPJMESA-N 0 3 369.490 3.088 20 30 FGEDHN CC(C)(C#N)c1ccccc1Cn1cc(COc2ccccc2CN)nn1 ZINC000603249524 506467609 /nfs/dbraw/zinc/46/76/09/506467609.db2.gz HYIFAIHXNYXEDL-UHFFFAOYSA-N 0 3 361.449 3.165 20 30 FGEDHN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1 ZINC000596582070 506471770 /nfs/dbraw/zinc/47/17/70/506471770.db2.gz INVUIBIHDPEEJM-HUUCEWRRSA-N 0 3 372.450 3.236 20 30 FGEDHN Cc1cccc([C@@H]2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174193 506473156 /nfs/dbraw/zinc/47/31/56/506473156.db2.gz URKUZVWXZZEDMU-NHCUHLMSSA-N 0 3 350.462 3.290 20 30 FGEDHN COc1ccc([C@H](C)NCCC(=O)Nc2sccc2C#N)c(OC)c1 ZINC000599595856 506522209 /nfs/dbraw/zinc/52/22/09/506522209.db2.gz LCZLCMVLIXCRCM-LBPRGKRZSA-N 0 3 359.451 3.316 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000593319399 506536796 /nfs/dbraw/zinc/53/67/96/506536796.db2.gz IDAGKDKRYNAQMX-OXJNMPFZSA-N 0 3 360.461 3.419 20 30 FGEDHN N#Cc1ccc(C2(NCCOc3ccccc3[N+](=O)[O-])CCOCC2)cc1 ZINC000599631275 506539883 /nfs/dbraw/zinc/53/98/83/506539883.db2.gz OQGZBGKUJNRSGD-UHFFFAOYSA-N 0 3 367.405 3.141 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1cccs1 ZINC000612373732 506549778 /nfs/dbraw/zinc/54/97/78/506549778.db2.gz ZPMGFKVIQKKBKF-HHXXYDBFSA-N 0 3 360.527 3.466 20 30 FGEDHN N#CC1(CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)CCCC1 ZINC000593341601 506556878 /nfs/dbraw/zinc/55/68/78/506556878.db2.gz QMFUNOBDZGVOSK-UHFFFAOYSA-N 0 3 370.497 3.044 20 30 FGEDHN C=CCCSCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000596719000 506558234 /nfs/dbraw/zinc/55/82/34/506558234.db2.gz KEYMDUIZPLTVPH-UHFFFAOYSA-N 0 3 351.516 3.195 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(c4ccc(C(F)(F)F)cc4)CC3)cnc12 ZINC000583084366 506581209 /nfs/dbraw/zinc/58/12/09/506581209.db2.gz SCSLUWFYRLWXSO-UHFFFAOYSA-N 0 3 371.366 3.441 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCC(C(C)(C)O)CC1 ZINC000593409184 506605439 /nfs/dbraw/zinc/60/54/39/506605439.db2.gz NLCDTXYUVMGYSM-UHFFFAOYSA-N 0 3 371.525 3.026 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000589643997 506617209 /nfs/dbraw/zinc/61/72/09/506617209.db2.gz QYYOPTPYECUZSL-IBGZPJMESA-N 0 3 362.481 3.066 20 30 FGEDHN COc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000596829186 506623096 /nfs/dbraw/zinc/62/30/96/506623096.db2.gz PPWMCFMUKPCGGU-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000596845858 506635038 /nfs/dbraw/zinc/63/50/38/506635038.db2.gz VIEXMFZMZQEVGG-GOSISDBHSA-N 0 3 354.498 3.376 20 30 FGEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593544034 506679590 /nfs/dbraw/zinc/67/95/90/506679590.db2.gz UBKBLOXTJKJWMD-CYBMUJFWSA-N 0 3 363.508 3.027 20 30 FGEDHN COc1cc(NC(=O)NCC2(C#N)CCCCC2)ccc1OCCN(C)C ZINC000596930326 506682860 /nfs/dbraw/zinc/68/28/60/506682860.db2.gz CGWZXUMOSAEEOW-UHFFFAOYSA-N 0 3 374.485 3.231 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)N3CC(C)(C#N)C3)sc2c1)C1CC1 ZINC000597001254 506724825 /nfs/dbraw/zinc/72/48/25/506724825.db2.gz ZLWUAAHBGRITMR-UHFFFAOYSA-N 0 3 355.467 3.268 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000593687117 506731448 /nfs/dbraw/zinc/73/14/48/506731448.db2.gz CHIRDIMJNFCDNX-UHFFFAOYSA-N 0 3 350.422 3.221 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2c1ccn2C ZINC000608877863 506734728 /nfs/dbraw/zinc/73/47/28/506734728.db2.gz ZCDQVIOFAVGEFR-UHFFFAOYSA-N 0 3 360.461 3.254 20 30 FGEDHN CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CCN(C)CC1 ZINC000599986434 506737019 /nfs/dbraw/zinc/73/70/19/506737019.db2.gz RROROZLEILFTJP-UHFFFAOYSA-N 0 3 364.449 3.302 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000590118867 506740886 /nfs/dbraw/zinc/74/08/86/506740886.db2.gz SKUJEQLGPCIUQI-RTWAWAEBSA-N 0 3 350.462 3.372 20 30 FGEDHN CCOC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000604273755 506771062 /nfs/dbraw/zinc/77/10/62/506771062.db2.gz FZVDVBQVNGXCOA-UHFFFAOYSA-N 0 3 361.511 3.328 20 30 FGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC1(C#N)CC1 ZINC000590309146 506789654 /nfs/dbraw/zinc/78/96/54/506789654.db2.gz ZOKQZHNHUGHWTM-GOSISDBHSA-N 0 3 363.465 3.271 20 30 FGEDHN CN(C)[C@H](CNC(=O)c1cc2ccccc2n1CC#N)Cc1ccccc1 ZINC000609161317 506798858 /nfs/dbraw/zinc/79/88/58/506798858.db2.gz ZKRNKUUGLUOAJY-IBGZPJMESA-N 0 3 360.461 3.068 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)CC1 ZINC000597169226 506809577 /nfs/dbraw/zinc/80/95/77/506809577.db2.gz SMTFUUDOTYLQNS-UHFFFAOYSA-N 0 3 364.530 3.435 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC000604416034 506826556 /nfs/dbraw/zinc/82/65/56/506826556.db2.gz WKOSQXOTZBEFDG-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN COc1ccc(CN2CCC[C@H](C(=O)NC(C)C)C2)cc1OCCCC#N ZINC000597230481 506849627 /nfs/dbraw/zinc/84/96/27/506849627.db2.gz GUFLKYCWPSYLAS-SFHVURJKSA-N 0 3 373.497 3.114 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000609355442 506864195 /nfs/dbraw/zinc/86/41/95/506864195.db2.gz AUVONAZTXIHNBY-QGZVFWFLSA-N 0 3 356.470 3.438 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCSCc1ccccc1C#N ZINC000609359054 506864301 /nfs/dbraw/zinc/86/43/01/506864301.db2.gz LUQNISSZZJCDME-IAGOWNOFSA-N 0 3 374.554 3.354 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000609399116 506874359 /nfs/dbraw/zinc/87/43/59/506874359.db2.gz KBWHIUYDUHEORN-MRXNPFEDSA-N 0 3 365.437 3.209 20 30 FGEDHN N#Cc1ccc(C2(NC[C@@H](O)COc3cccc4[nH]ccc43)CCC2)cc1 ZINC000594032544 506895884 /nfs/dbraw/zinc/89/58/84/506895884.db2.gz WWKHFQKYTPLTAM-GOSISDBHSA-N 0 3 361.445 3.448 20 30 FGEDHN CC[C@@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H]1CCCCO1 ZINC000594040713 506901270 /nfs/dbraw/zinc/90/12/70/506901270.db2.gz AZDMHZJCBAXUJJ-QUCCMNQESA-N 0 3 357.498 3.487 20 30 FGEDHN N#Cc1c(F)cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1F ZINC000597346900 506907980 /nfs/dbraw/zinc/90/79/80/506907980.db2.gz SHRRZQACTYSJSP-UHFFFAOYSA-N 0 3 371.387 3.045 20 30 FGEDHN C[NH+](C)[C@@H]1CCc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc21 ZINC000590744901 506934689 /nfs/dbraw/zinc/93/46/89/506934689.db2.gz IJTBBENKBZMXDQ-LJQANCHMSA-N 0 3 355.463 3.102 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000590756309 506939067 /nfs/dbraw/zinc/93/90/67/506939067.db2.gz IFVUMKUDJNTSIG-NRSPTQNISA-N 0 3 369.509 3.343 20 30 FGEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590755300 506939727 /nfs/dbraw/zinc/93/97/27/506939727.db2.gz XTSWMUDGQCGMIX-VNQPRFMTSA-N 0 3 356.388 3.155 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000590804064 506969115 /nfs/dbraw/zinc/96/91/15/506969115.db2.gz DFEABHOURFBGCI-UHFFFAOYSA-N 0 3 353.426 3.207 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC000583797975 506979122 /nfs/dbraw/zinc/97/91/22/506979122.db2.gz PKSNEYWVHHNXPI-WJMWBRGCSA-N 0 3 366.509 3.232 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC000597697956 507064712 /nfs/dbraw/zinc/06/47/12/507064712.db2.gz OSJMRDMIAVWOFV-SJORKVTESA-N 0 3 367.415 3.149 20 30 FGEDHN N#CCn1c(C(=O)N2CCCN(C3CCCC3)CC2)cc2ccccc21 ZINC000609995764 507066181 /nfs/dbraw/zinc/06/61/81/507066181.db2.gz NLIVEYHMMJFASA-UHFFFAOYSA-N 0 3 350.466 3.255 20 30 FGEDHN C[C@@H](Cc1cccc(F)c1)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590971763 507068002 /nfs/dbraw/zinc/06/80/02/507068002.db2.gz LANHSWCSLCBWNP-JXFKEZNVSA-N 0 3 356.441 3.194 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCCSc1ccc(Cl)cc1 ZINC000600713576 507078085 /nfs/dbraw/zinc/07/80/85/507078085.db2.gz CJCUSPXVHULATE-MRXNPFEDSA-N 0 3 362.882 3.333 20 30 FGEDHN CC(C)(C)c1ccc(C#N)c(NCc2ccccc2CN2CC[C@H](O)C2)n1 ZINC000613429573 507083723 /nfs/dbraw/zinc/08/37/23/507083723.db2.gz XZVBZMURQNEVLH-IBGZPJMESA-N 0 3 364.493 3.429 20 30 FGEDHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000600750315 507098364 /nfs/dbraw/zinc/09/83/64/507098364.db2.gz WGEQFSYFNZXUDM-OALUTQOASA-N 0 3 354.475 3.114 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1(O)CCCCCC1)C(C)C ZINC000605219790 507112831 /nfs/dbraw/zinc/11/28/31/507112831.db2.gz HSHNOHCSAODQFI-GOSISDBHSA-N 0 3 351.535 3.070 20 30 FGEDHN N#CCc1cccc2c1CCN(C(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC000600789271 507123209 /nfs/dbraw/zinc/12/32/09/507123209.db2.gz UEOVQVIGPKCQRG-OAQYLSRUSA-N 0 3 351.494 3.434 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1NC(=O)c1ccccc1 ZINC000594430046 507129721 /nfs/dbraw/zinc/12/97/21/507129721.db2.gz XPISZLOAJSVHTJ-INIZCTEOSA-N 0 3 350.422 3.289 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000594432209 507130737 /nfs/dbraw/zinc/13/07/37/507130737.db2.gz ZSRPBCLPLDMSLS-HXUWFJFHSA-N 0 3 363.461 3.316 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000594435365 507131004 /nfs/dbraw/zinc/13/10/04/507131004.db2.gz DIMXXADJXHWDIS-FQEVSTJZSA-N 0 3 350.466 3.064 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000594442926 507135784 /nfs/dbraw/zinc/13/57/84/507135784.db2.gz CZIBCRJQWMASHS-GOSISDBHSA-N 0 3 361.511 3.449 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000594454169 507140831 /nfs/dbraw/zinc/14/08/31/507140831.db2.gz UJSFTUKTKCVJNQ-SFHVURJKSA-N 0 3 356.445 3.424 20 30 FGEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000594486380 507151096 /nfs/dbraw/zinc/15/10/96/507151096.db2.gz YTGSYTOHNCAWLZ-UHFFFAOYSA-N 0 3 352.486 3.147 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000594514673 507164963 /nfs/dbraw/zinc/16/49/63/507164963.db2.gz YWSVIBYVYZDAEZ-OAQYLSRUSA-N 0 3 360.461 3.070 20 30 FGEDHN CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCN(C)C1 ZINC000597945572 507191784 /nfs/dbraw/zinc/19/17/84/507191784.db2.gz IMNMNTWETLEPHB-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610319891 507192474 /nfs/dbraw/zinc/19/24/74/507192474.db2.gz MREZZBDQMCEIHZ-UHFFFAOYSA-N 0 3 365.437 3.305 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2cccc3ccccc32)cc1 ZINC000610497361 507262777 /nfs/dbraw/zinc/26/27/77/507262777.db2.gz ALSGSBDAMVIFNW-UHFFFAOYSA-N 0 3 364.470 3.317 20 30 FGEDHN Cc1ccc(C)n1C1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511626 507271892 /nfs/dbraw/zinc/27/18/92/507271892.db2.gz SNTCWAMVTDKROE-NRFANRHFSA-N 0 3 367.493 3.248 20 30 FGEDHN Cc1cc(C)c(C#N)c(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000610542413 507282483 /nfs/dbraw/zinc/28/24/83/507282483.db2.gz FUTQYWKGRBZMCZ-QZTJIDSGSA-N 0 3 356.514 3.286 20 30 FGEDHN CO[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCOC1 ZINC000594950919 507327377 /nfs/dbraw/zinc/32/73/77/507327377.db2.gz KYHAUCKWMFBZBB-RBBKRZOGSA-N 0 3 366.461 3.278 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598232512 507333927 /nfs/dbraw/zinc/33/39/27/507333927.db2.gz YLZOYFVNCLCBSC-UYAOXDASSA-N 0 3 352.409 3.498 20 30 FGEDHN COCc1csc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000594984609 507341857 /nfs/dbraw/zinc/34/18/57/507341857.db2.gz KCKJZXCNZUICGY-UHFFFAOYSA-N 0 3 367.478 3.356 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000591733964 507342682 /nfs/dbraw/zinc/34/26/82/507342682.db2.gz QSPJGPMUMXYYHI-OAHLLOKOSA-N 0 3 352.331 3.409 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@H](CO)c3ccc(F)cc3F)CC2)cc1 ZINC000594995020 507346533 /nfs/dbraw/zinc/34/65/33/507346533.db2.gz JVKBBADRRQIAKT-HXUWFJFHSA-N 0 3 357.404 3.128 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000591749623 507346568 /nfs/dbraw/zinc/34/65/68/507346568.db2.gz CFQAERYZGIQNAX-ZBFHGGJFSA-N 0 3 374.428 3.290 20 30 FGEDHN C[C@@H]1CN(CCCCNc2c(C#N)cnc3c(F)ccc(F)c32)C[C@@H](C)O1 ZINC000610864595 507418976 /nfs/dbraw/zinc/41/89/76/507418976.db2.gz KIDKNWVWWQQRJQ-ZIAGYGMSSA-N 0 3 374.435 3.108 20 30 FGEDHN N#Cc1cc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1Oc1ccccc1 ZINC000595233647 507433246 /nfs/dbraw/zinc/43/32/46/507433246.db2.gz SUKWDDGQEVPSMX-IAGOWNOFSA-N 0 3 354.385 3.254 20 30 FGEDHN CC(C)(NC(=O)Nc1ccc2c(c1F)CCNC2)c1cccc(C#N)c1 ZINC000595236142 507434488 /nfs/dbraw/zinc/43/44/88/507434488.db2.gz JBGOLONCDYAKQG-UHFFFAOYSA-N 0 3 352.413 3.400 20 30 FGEDHN Cc1ccc2c(c1Br)CN(C(=O)[C@@H](N)CCCCC#N)C2 ZINC000595258874 507442336 /nfs/dbraw/zinc/44/23/36/507442336.db2.gz FRZYIXCAORWMOP-AWEZNQCLSA-N 0 3 350.260 3.011 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000595259285 507443070 /nfs/dbraw/zinc/44/30/70/507443070.db2.gz JGUAXTUNVKCINX-HZPDHXFCSA-N 0 3 364.287 3.354 20 30 FGEDHN N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595352676 507467504 /nfs/dbraw/zinc/46/75/04/507467504.db2.gz AYGAWAQQIHKGLZ-OWCLPIDISA-N 0 3 352.438 3.364 20 30 FGEDHN C[C@@]1(NC[C@H](O)COc2ccc(CC#N)cc2)CCCc2ccccc21 ZINC000610988120 507468209 /nfs/dbraw/zinc/46/82/09/507468209.db2.gz YWTPDNLPSPOORL-SIKLNZKXSA-N 0 3 350.462 3.334 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000598551702 507481154 /nfs/dbraw/zinc/48/11/54/507481154.db2.gz VBIMAITWMKMMHD-UXHICEINSA-N 0 3 363.461 3.174 20 30 FGEDHN C[C@](CO)(Cc1ccc(F)cc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000601849991 507486840 /nfs/dbraw/zinc/48/68/40/507486840.db2.gz AXUDRAVJTIMWAW-WIYYLYMNSA-N 0 3 354.425 3.008 20 30 FGEDHN C/C=C/c1ccc(OC[C@@H](O)CN2CCC(CCC#N)CC2)c(OC)c1 ZINC000592135784 507501309 /nfs/dbraw/zinc/50/13/09/507501309.db2.gz PWDCPLXCUUFLSR-JUGMSXHOSA-N 0 3 358.482 3.484 20 30 FGEDHN CC[C@@H](NCc1ccc(C#N)cc1C)c1ccccc1OCC(=O)NC ZINC000614406874 507501699 /nfs/dbraw/zinc/50/16/99/507501699.db2.gz DOAWKCAYMWPBMC-LJQANCHMSA-N 0 3 351.450 3.232 20 30 FGEDHN CC1(C)C(=O)N[C@H]1C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000584790329 507505646 /nfs/dbraw/zinc/50/56/46/507505646.db2.gz MPQUIDYDICMPPQ-IBGZPJMESA-N 0 3 355.482 3.106 20 30 FGEDHN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C[C@H](O)CC(C)(C)C#N ZINC000598596081 507509694 /nfs/dbraw/zinc/50/96/94/507509694.db2.gz HNHHESXPUUDIRL-WMQCIHAUSA-N 0 3 372.557 3.223 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1 ZINC000595464266 507512179 /nfs/dbraw/zinc/51/21/79/507512179.db2.gz HXSZASJVWSXXNY-UWJYYQICSA-N 0 3 362.477 3.235 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)N2CC[C@@](C)(C#N)C2)c2ccccc2)CC1 ZINC000595469269 507514238 /nfs/dbraw/zinc/51/42/38/507514238.db2.gz WGGAVDNAWMICNT-FPOVZHCZSA-N 0 3 354.498 3.405 20 30 FGEDHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598618136 507519808 /nfs/dbraw/zinc/51/98/08/507519808.db2.gz VCBKARIGSUWKFP-DGCLKSJQSA-N 0 3 355.276 3.409 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000598619250 507521431 /nfs/dbraw/zinc/52/14/31/507521431.db2.gz NAMHOJUFNLQYRH-BXUZGUMPSA-N 0 3 353.260 3.163 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000592183600 507527334 /nfs/dbraw/zinc/52/73/34/507527334.db2.gz KQSZCUKLGMTSLM-FQEVSTJZSA-N 0 3 368.525 3.055 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(CCO)CCCC1 ZINC000595509419 507537717 /nfs/dbraw/zinc/53/77/17/507537717.db2.gz TYKVNYFPKMXABF-HNNXBMFYSA-N 0 3 361.511 3.162 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000595542812 507552079 /nfs/dbraw/zinc/55/20/79/507552079.db2.gz OWNLGAULUCVWCS-MISYRCLQSA-N 0 3 354.498 3.375 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@@H](OCCO)C2)c1 ZINC000611271220 507595282 /nfs/dbraw/zinc/59/52/82/507595282.db2.gz GCUHJFAJCSTKCR-JOCHJYFZSA-N 0 3 366.461 3.111 20 30 FGEDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000585726543 507605882 /nfs/dbraw/zinc/60/58/82/507605882.db2.gz KFYVWCSVISKNGX-SJKOYZFVSA-N 0 3 372.266 3.148 20 30 FGEDHN C=C[C@@](C)(CCOC)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614659733 507607461 /nfs/dbraw/zinc/60/74/61/507607461.db2.gz DNUPOEBRVFDRAX-NRFANRHFSA-N 0 3 353.466 3.112 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000595661711 507617666 /nfs/dbraw/zinc/61/76/66/507617666.db2.gz KJAVFFFAWKHBNO-QYZOEREBSA-N 0 3 354.498 3.341 20 30 FGEDHN CC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000592377170 507626774 /nfs/dbraw/zinc/62/67/74/507626774.db2.gz LICWEOUJYCCUJI-IBGZPJMESA-N 0 3 357.498 3.233 20 30 FGEDHN CNC(=O)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)Cc1ccc(F)cc1C ZINC000592391596 507635539 /nfs/dbraw/zinc/63/55/39/507635539.db2.gz GHWFMNCVTCYDTH-RHSMWYFYSA-N 0 3 371.431 3.400 20 30 FGEDHN CCN(C(=O)c1ccnc(OCCN(C)C)c1)c1ccc(C#N)c(Cl)c1 ZINC000602295232 507658213 /nfs/dbraw/zinc/65/82/13/507658213.db2.gz UHSSKKODUHGKEB-UHFFFAOYSA-N 0 3 372.856 3.214 20 30 FGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000595784460 507683280 /nfs/dbraw/zinc/68/32/80/507683280.db2.gz KEUPBTUGCFUFMS-UZLBHIALSA-N 0 3 354.498 3.355 20 30 FGEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(F)CC1 ZINC000595818295 507698542 /nfs/dbraw/zinc/69/85/42/507698542.db2.gz GXTQXSAWLLROCG-HPUBIQBYSA-N 0 3 369.444 3.189 20 30 FGEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN(c2ccncc2)CC1 ZINC000587029906 507704771 /nfs/dbraw/zinc/70/47/71/507704771.db2.gz XUVCDFKLEWBNFU-UHFFFAOYSA-N 0 3 369.350 3.245 20 30 FGEDHN COc1cc(CN2CCC3(COC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000595833469 507707133 /nfs/dbraw/zinc/70/71/33/507707133.db2.gz KEULLYUSZFZNPA-UHFFFAOYSA-N 0 3 364.445 3.368 20 30 FGEDHN COC(=O)c1cnc([C@H]2CCCN(CCc3ccc(C#N)cc3)C2)s1 ZINC000595912371 507738464 /nfs/dbraw/zinc/73/84/64/507738464.db2.gz KQEOQOWNMFUIPF-INIZCTEOSA-N 0 3 355.463 3.223 20 30 FGEDHN CC(C)N(C(=O)c1cc(C#N)cn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592695354 507767081 /nfs/dbraw/zinc/76/70/81/507767081.db2.gz ZZFCJYZKPBUCSB-IBGZPJMESA-N 0 3 350.466 3.022 20 30 FGEDHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000190522305 527497982 /nfs/dbraw/zinc/49/79/82/527497982.db2.gz KYGKUEZFEGKMID-MRXNPFEDSA-N 0 3 360.527 3.206 20 30 FGEDHN C=CCCCCC[N@@H+](C)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000735408331 598852058 /nfs/dbraw/zinc/85/20/58/598852058.db2.gz JJVCHPUESLOILZ-UHFFFAOYSA-N 0 3 366.473 3.069 20 30 FGEDHN C=CCCCCC[N@H+](C)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000735408331 598852060 /nfs/dbraw/zinc/85/20/60/598852060.db2.gz JJVCHPUESLOILZ-UHFFFAOYSA-N 0 3 366.473 3.069 20 30 FGEDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000736197322 599314088 /nfs/dbraw/zinc/31/40/88/599314088.db2.gz MUFJJYOUXLPLGM-OAHLLOKOSA-N 0 3 374.448 3.343 20 30 FGEDHN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000736197322 599314090 /nfs/dbraw/zinc/31/40/90/599314090.db2.gz MUFJJYOUXLPLGM-OAHLLOKOSA-N 0 3 374.448 3.343 20 30 FGEDHN CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826930447 601300447 /nfs/dbraw/zinc/30/04/47/601300447.db2.gz PJNBEWPETDPTGW-HXUWFJFHSA-N 0 3 351.450 3.314 20 30 FGEDHN CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826930447 601300450 /nfs/dbraw/zinc/30/04/50/601300450.db2.gz PJNBEWPETDPTGW-HXUWFJFHSA-N 0 3 351.450 3.314 20 30 FGEDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722682 601322042 /nfs/dbraw/zinc/32/20/42/601322042.db2.gz HOGUENOZTQDXRD-FPOVZHCZSA-N 0 3 363.461 3.138 20 30 FGEDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722682 601322045 /nfs/dbraw/zinc/32/20/45/601322045.db2.gz HOGUENOZTQDXRD-FPOVZHCZSA-N 0 3 363.461 3.138 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNCCOCC(F)(F)F ZINC000070167176 695954093 /nfs/dbraw/zinc/95/40/93/695954093.db2.gz RZVVBXJHOVPXHP-UHFFFAOYSA-N 0 3 366.177 3.130 20 30 FGEDHN CCOCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000105758190 700504464 /nfs/dbraw/zinc/50/44/64/700504464.db2.gz NTFVNVKYVAGGPK-HZMBPMFUSA-N 0 3 373.236 3.082 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CCCCO2)cc1Cl ZINC000111945296 700551711 /nfs/dbraw/zinc/55/17/11/700551711.db2.gz PZCHECMUFPLNIV-KBPBESRZSA-N 0 3 364.829 3.345 20 30 FGEDHN C[C@@H](CSCc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000122688084 700694044 /nfs/dbraw/zinc/69/40/44/700694044.db2.gz TXTBQTCMTZYIQV-HOCLYGCPSA-N 0 3 353.447 3.298 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000129836186 700792724 /nfs/dbraw/zinc/79/27/24/700792724.db2.gz GLUKKFUXFCXUHN-OCCSQVGLSA-N 0 3 352.381 3.137 20 30 FGEDHN Cc1nc(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000193475314 712892689 /nfs/dbraw/zinc/89/26/89/712892689.db2.gz PLBJBSHGCIYFBH-LLVKDONJSA-N 0 3 351.790 3.134 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2ccccc2F)cc1Cl ZINC000193477063 712892714 /nfs/dbraw/zinc/89/27/14/712892714.db2.gz YFAINNPMMPFPBN-CYBMUJFWSA-N 0 3 360.772 3.378 20 30 FGEDHN C#CCSCCN[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779117185 724391986 /nfs/dbraw/zinc/39/19/86/724391986.db2.gz QAHJWUDZNKXJAJ-HXUWFJFHSA-N 0 3 373.543 3.444 20 30 FGEDHN C=CC[C@@H]1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000625702558 715775668 /nfs/dbraw/zinc/77/56/68/715775668.db2.gz ZJDOYADHZPSNNN-CQSZACIVSA-N 0 3 356.388 3.142 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2C[C@H](OCC)[C@@H]2OC)cc1OC ZINC000628238910 716128434 /nfs/dbraw/zinc/12/84/34/716128434.db2.gz TVIYIYFVSPMFCX-UWWQBHOKSA-N 0 3 355.862 3.195 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C1CCOCC1 ZINC000629107827 716216821 /nfs/dbraw/zinc/21/68/21/716216821.db2.gz ZUSSGUCSWOBTRE-INIZCTEOSA-N 0 3 364.559 3.400 20 30 FGEDHN C=CCn1c(Cc2ccsc2)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655615695 719315087 /nfs/dbraw/zinc/31/50/87/719315087.db2.gz IQLJXWFDHZJUPP-UHFFFAOYSA-N 0 3 359.543 3.427 20 30 FGEDHN C=CCC1(NCc2nnnn2-c2ccccc2Br)CCCC1 ZINC000661847608 720331225 /nfs/dbraw/zinc/33/12/25/720331225.db2.gz AVNCFFZFNPPTLY-UHFFFAOYSA-N 0 3 362.275 3.403 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Br)c(F)c2C)CC1 ZINC000668369969 721282288 /nfs/dbraw/zinc/28/22/88/721282288.db2.gz KCANLLWURXFYJL-UHFFFAOYSA-N 0 3 355.251 3.277 20 30 FGEDHN C=CCOC[C@@H]1CCC[C@]12CN(c1ncccc1CN1CCCC1)CCO2 ZINC001164980315 722169723 /nfs/dbraw/zinc/16/97/23/722169723.db2.gz XKVAZCURFUKSTG-UNMCSNQZSA-N 0 3 371.525 3.256 20 30 FGEDHN CC(C)C[C@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733796363 722500975 /nfs/dbraw/zinc/50/09/75/722500975.db2.gz FWCNNCWHZXFXBX-LSDHHAIUSA-N 0 3 357.479 3.219 20 30 FGEDHN N#CC(C(=O)CCCOc1cccnc1)C(=O)Nc1ccccc1Cl ZINC000744029592 722572963 /nfs/dbraw/zinc/57/29/63/722572963.db2.gz VRZUYJFIAQJYOD-CQSZACIVSA-N 0 3 357.797 3.242 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000750684782 722777537 /nfs/dbraw/zinc/77/75/37/722777537.db2.gz UTFHXEPKXAACQH-JOYOIKCWSA-N 0 3 365.220 3.178 20 30 FGEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)cs1 ZINC000759435654 723004504 /nfs/dbraw/zinc/00/45/04/723004504.db2.gz HVBRHNHRKATCJS-LLVKDONJSA-N 0 3 362.794 3.134 20 30 FGEDHN C=C(C)CN1CCC(N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000761255953 723137918 /nfs/dbraw/zinc/13/79/18/723137918.db2.gz YHETXUJIFXMKBE-UHFFFAOYSA-N 0 3 361.873 3.145 20 30 FGEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccccc1Cl ZINC000762025478 723208011 /nfs/dbraw/zinc/20/80/11/723208011.db2.gz OIESYCAZEARPOA-MRVPVSSYSA-N 0 3 350.749 3.283 20 30 FGEDHN COc1ncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000793127319 723402621 /nfs/dbraw/zinc/40/26/21/723402621.db2.gz WBWLVOFQEHKRRI-LBPRGKRZSA-N 0 3 364.188 3.358 20 30 FGEDHN C#CCOc1ccccc1CNC[C@@H](O)c1cccc(Br)c1 ZINC000765285469 723502432 /nfs/dbraw/zinc/50/24/32/723502432.db2.gz IURILIOJBWOWIP-QGZVFWFLSA-N 0 3 360.251 3.284 20 30 FGEDHN C#CCCCN[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000766727946 723589113 /nfs/dbraw/zinc/58/91/13/723589113.db2.gz JUDABMMFSNUOGH-FQEVSTJZSA-N 0 3 357.475 3.191 20 30 FGEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767885282 723638192 /nfs/dbraw/zinc/63/81/92/723638192.db2.gz RFWMQGJBBAOCOK-HIFRSBDPSA-N 0 3 353.388 3.255 20 30 FGEDHN CO[C@@]1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000796499453 723640438 /nfs/dbraw/zinc/64/04/38/723640438.db2.gz BLYNMKPTJQGNKC-KUHUBIRLSA-N 0 3 357.479 3.364 20 30 FGEDHN CCCC[C@](C)(NCC(=O)NCCC#N)c1cccc(Br)c1 ZINC000796522603 723641414 /nfs/dbraw/zinc/64/14/14/723641414.db2.gz HUZCHBKJJAFETH-KRWDZBQOSA-N 0 3 366.303 3.474 20 30 FGEDHN N#CC(C(=O)CCc1cnccn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000796632733 723647653 /nfs/dbraw/zinc/64/76/53/723647653.db2.gz XSULLLNJUKYJOX-CQSZACIVSA-N 0 3 363.204 3.064 20 30 FGEDHN CN(CC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(=O)c1cccs1 ZINC000797568387 723835812 /nfs/dbraw/zinc/83/58/12/723835812.db2.gz HXUCPTXPHIIMCA-NSHDSACASA-N 0 3 361.492 3.451 20 30 FGEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCc1nc(C)cs1)c1ccccc1 ZINC000774260878 723875914 /nfs/dbraw/zinc/87/59/14/723875914.db2.gz SAPDJHOECJFHCH-CVEARBPZSA-N 0 3 355.463 3.361 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800410293 724193360 /nfs/dbraw/zinc/19/33/60/724193360.db2.gz UUIPSWOVXZRTND-RYUDHWBXSA-N 0 3 356.319 3.115 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800410795 724193439 /nfs/dbraw/zinc/19/34/39/724193439.db2.gz ZNAJALXRJYOUGB-GWCFXTLKSA-N 0 3 356.319 3.115 20 30 FGEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536229 724987610 /nfs/dbraw/zinc/98/76/10/724987610.db2.gz ZSBUCQSWVJOGLX-CXAGYDPISA-N 0 3 356.809 3.133 20 30 FGEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000805855418 725100721 /nfs/dbraw/zinc/10/07/21/725100721.db2.gz IVAXOHVTEIBJPW-QEWOUOOISA-N 0 3 355.221 3.456 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(F)c(Br)c1 ZINC000813059480 726834197 /nfs/dbraw/zinc/83/41/97/726834197.db2.gz AGSXFOVJMMLAPH-SKDRFNHKSA-N 0 3 367.218 3.069 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccccc1SCc1cscn1 ZINC000818595950 727315744 /nfs/dbraw/zinc/31/57/44/727315744.db2.gz VPDWGZMAIWKRIQ-UHFFFAOYSA-N 0 3 359.520 3.120 20 30 FGEDHN C#Cc1cccc(N(CC)C(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000825980091 729401432 /nfs/dbraw/zinc/40/14/32/729401432.db2.gz QUPQMOUAWMJUKR-CVEARBPZSA-N 0 3 355.356 3.005 20 30 FGEDHN C#Cc1cccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000834901957 729845081 /nfs/dbraw/zinc/84/50/81/729845081.db2.gz CAMXAOQXJAULQJ-MRXNPFEDSA-N 0 3 354.475 3.059 20 30 FGEDHN Cc1csc(C(C#N)C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000835034311 729851716 /nfs/dbraw/zinc/85/17/16/729851716.db2.gz ADYJWVCOMADLEJ-GFCCVEGCSA-N 0 3 363.389 3.056 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1scnc1-c1ccccc1 ZINC000835056147 729853742 /nfs/dbraw/zinc/85/37/42/729853742.db2.gz FCDJKZVOKBIIOU-OAHLLOKOSA-N 0 3 355.463 3.368 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(=O)C2CC2)cc1Cl ZINC000835065661 729855083 /nfs/dbraw/zinc/85/50/83/729855083.db2.gz POHBHPKMTKPELX-ZDUSSCGKSA-N 0 3 362.813 3.145 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836638408 729963559 /nfs/dbraw/zinc/96/35/59/729963559.db2.gz QWWHHYBMSKHKGZ-UHFFFAOYSA-N 0 3 351.834 3.327 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000837913898 730075134 /nfs/dbraw/zinc/07/51/34/730075134.db2.gz JARQHVXFJSTFKO-AWEZNQCLSA-N 0 3 372.332 3.219 20 30 FGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000840710778 730164762 /nfs/dbraw/zinc/16/47/62/730164762.db2.gz UWWYWXVIHCBCFD-XSFVSMFZSA-N 0 3 360.479 3.261 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](CC(C)C)OC)cc1Cl ZINC000842289967 730481054 /nfs/dbraw/zinc/48/10/54/730481054.db2.gz VHCLVMLKGATOED-IUODEOHRSA-N 0 3 352.818 3.057 20 30 FGEDHN C#CCCOc1ccc(CN[C@@H](CC)C(=O)NCc2cccs2)cc1 ZINC000842748879 730538860 /nfs/dbraw/zinc/53/88/60/730538860.db2.gz UAYKKYZCLCRLIU-IBGZPJMESA-N 0 3 356.491 3.335 20 30 FGEDHN N#CC(C(=O)c1ccc(N2CCNC2=O)cc1)c1nc(C2CC2)cs1 ZINC000842936972 730559814 /nfs/dbraw/zinc/55/98/14/730559814.db2.gz AZPFAONFESMZET-CQSZACIVSA-N 0 3 352.419 3.040 20 30 FGEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000845592657 730869453 /nfs/dbraw/zinc/86/94/53/730869453.db2.gz AMGOWKOIVKIDAJ-UHFFFAOYSA-N 0 3 370.291 3.030 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000848459455 731166583 /nfs/dbraw/zinc/16/65/83/731166583.db2.gz LGFRCILNWXHVFP-GFCCVEGCSA-N 0 3 350.394 3.438 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000848930773 731222541 /nfs/dbraw/zinc/22/25/41/731222541.db2.gz WKBOJPTZNWENTB-KRWDZBQOSA-N 0 3 362.901 3.039 20 30 FGEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000852100295 731543818 /nfs/dbraw/zinc/54/38/18/731543818.db2.gz VUOIDIBVNXNNRZ-SUMWQHHRSA-N 0 3 351.288 3.188 20 30 FGEDHN C#CC[C@H](COC)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000858334539 732204657 /nfs/dbraw/zinc/20/46/57/732204657.db2.gz BCBRHCGZQKKJPZ-LLVKDONJSA-N 0 3 366.177 3.476 20 30 FGEDHN CC(=NNc1ccnc(C)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000863158612 732919454 /nfs/dbraw/zinc/91/94/54/732919454.db2.gz IYJCESVOEDOGBJ-UHFFFAOYSA-N 0 3 357.479 3.364 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000865194037 733153693 /nfs/dbraw/zinc/15/36/93/733153693.db2.gz RJMGSEFKHCRLFL-UHFFFAOYSA-N 0 3 371.706 3.412 20 30 FGEDHN Cc1nn(C)c2nc(Cl)c(CN[C@@H]3Cc4ccc(C#N)cc4C3)cc12 ZINC000865847501 733281782 /nfs/dbraw/zinc/28/17/82/733281782.db2.gz FUOBCJOZUMCNOD-MRXNPFEDSA-N 0 3 351.841 3.059 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000870135820 733814852 /nfs/dbraw/zinc/81/48/52/733814852.db2.gz FEBPZOCKAGCFJS-WUHRBBMRSA-N 0 3 364.829 3.118 20 30 FGEDHN C[C@H]1CCn2cc(C(=O)C(C#N)C(=O)Nc3ccccc3Cl)nc2C1 ZINC000870138006 733815726 /nfs/dbraw/zinc/81/57/26/733815726.db2.gz ABYHWSHTKSYNDF-NWDGAFQWSA-N 0 3 356.813 3.080 20 30 FGEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000870158192 733817781 /nfs/dbraw/zinc/81/77/81/733817781.db2.gz DSMMYWPAPXVJMR-MNOVXSKESA-N 0 3 369.368 3.406 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000876595494 736118572 /nfs/dbraw/zinc/11/85/72/736118572.db2.gz BTCIAVBUKIGCSA-JLIMGVALSA-N 0 3 366.733 3.482 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(Cl)ccc1Br ZINC000876933920 736164725 /nfs/dbraw/zinc/16/47/25/736164725.db2.gz BGQFRMURIGXMBY-NSHDSACASA-N 0 3 352.059 3.189 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877018389 736176064 /nfs/dbraw/zinc/17/60/64/736176064.db2.gz VUHBHEIPWYFECK-UHFFFAOYSA-N 0 3 350.850 3.096 20 30 FGEDHN C=CCC[C@@H](O)CN1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000879678990 737031399 /nfs/dbraw/zinc/03/13/99/737031399.db2.gz DWULBWGBVFVKOO-OAHLLOKOSA-N 0 3 352.500 3.135 20 30 FGEDHN C#CCN(C(=O)c1cc(-c2ccc(Cl)s2)on1)C1CCN(C)CC1 ZINC000886583501 739272254 /nfs/dbraw/zinc/27/22/54/739272254.db2.gz SIFFXCMXMWEVRF-UHFFFAOYSA-N 0 3 363.870 3.226 20 30 FGEDHN C#CCC1(NCC(=O)N2CC[C@H](C)Sc3ccccc32)CCOCC1 ZINC000887127821 739331871 /nfs/dbraw/zinc/33/18/71/739331871.db2.gz ZNZAXNSWVBINPY-INIZCTEOSA-N 0 3 358.507 3.066 20 30 FGEDHN CN1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 ZINC000888419006 739519841 /nfs/dbraw/zinc/51/98/41/739519841.db2.gz GJVBHRPDWNGFLE-AAEUAGOBSA-N 0 3 361.858 3.235 20 30 FGEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000895013088 742364570 /nfs/dbraw/zinc/36/45/70/742364570.db2.gz XTOOAOIAXINTHL-CQSZACIVSA-N 0 3 362.861 3.329 20 30 FGEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000895013088 742364574 /nfs/dbraw/zinc/36/45/74/742364574.db2.gz XTOOAOIAXINTHL-CQSZACIVSA-N 0 3 362.861 3.329 20 30 FGEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000895013088 742364579 /nfs/dbraw/zinc/36/45/79/742364579.db2.gz XTOOAOIAXINTHL-CQSZACIVSA-N 0 3 362.861 3.329 20 30 FGEDHN C#CCN(C(=S)Nc1cccc(OC(F)(F)F)c1)C1CCN(C)CC1 ZINC000899614252 742988527 /nfs/dbraw/zinc/98/85/27/742988527.db2.gz ZYPQNJKEFAVLRW-UHFFFAOYSA-N 0 3 371.428 3.311 20 30 FGEDHN C[C@@H](NCc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(C#N)cc1 ZINC000901700482 743622930 /nfs/dbraw/zinc/62/29/30/743622930.db2.gz ULDNTOFAAURUGZ-CQSZACIVSA-N 0 3 355.463 3.313 20 30 FGEDHN CC[C@H](C#N)Oc1cc(CNC[C@](O)(CC)C(F)(F)F)ccc1OC ZINC000905118261 743993914 /nfs/dbraw/zinc/99/39/14/743993914.db2.gz SQYBZINGTDEGAA-CZUORRHYSA-N 0 3 360.376 3.169 20 30 FGEDHN C#CCN1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000913058509 757440943 /nfs/dbraw/zinc/44/09/43/757440943.db2.gz KUDKCEVZMWWZIB-UHFFFAOYSA-N 0 3 359.267 3.059 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000916875147 758148291 /nfs/dbraw/zinc/14/82/91/758148291.db2.gz SYFLISWRAHENLS-ZFWWWQNUSA-N 0 3 350.846 3.431 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC000917097555 758177160 /nfs/dbraw/zinc/17/71/60/758177160.db2.gz AXLIMDKRCKXVMA-INIZCTEOSA-N 0 3 362.543 3.148 20 30 FGEDHN C[C@@H]1CN(CCCCC#N)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000933853726 761484402 /nfs/dbraw/zinc/48/44/02/761484402.db2.gz VXNQBCFQWICWNR-MRXNPFEDSA-N 0 3 351.491 3.171 20 30 FGEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC000965425263 762811725 /nfs/dbraw/zinc/81/17/25/762811725.db2.gz SQIMDWABXOJXGO-WENYZVDWSA-N 0 3 367.331 3.348 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000968716694 762841536 /nfs/dbraw/zinc/84/15/36/762841536.db2.gz FKMOMLVGJKJBAN-RKVPGOIHSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC(NCc2ccccc2Cl)C1 ZINC000998784880 765122770 /nfs/dbraw/zinc/12/27/70/765122770.db2.gz KWCGTBLDKDYXOS-WXVPWVKJSA-N 0 3 362.901 3.400 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC001000232437 765206104 /nfs/dbraw/zinc/20/61/04/765206104.db2.gz OHMYGRDNFGBDHY-GUTXKFCHSA-N 0 3 354.903 3.073 20 30 FGEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001004490745 765434077 /nfs/dbraw/zinc/43/40/77/765434077.db2.gz SZGIVBMJIASASS-GGPKGHCWSA-N 0 3 366.933 3.401 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001008847562 765711523 /nfs/dbraw/zinc/71/15/23/765711523.db2.gz UEGOTKIJYSHEEN-QYZOEREBSA-N 0 3 362.539 3.243 20 30 FGEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001016865377 765825442 /nfs/dbraw/zinc/82/54/42/765825442.db2.gz BKIKXMPYPLADSY-IPMKNSEASA-N 0 3 356.897 3.438 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1ccccc1Cl ZINC001025090124 766066077 /nfs/dbraw/zinc/06/60/77/766066077.db2.gz CONZFAOUGUCXRT-LMMKCTJWSA-N 0 3 362.901 3.402 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(NCc2nccs2)CC1 ZINC001026574367 766078338 /nfs/dbraw/zinc/07/83/38/766078338.db2.gz RABAELWYJIORLG-OBQMCRIKSA-N 0 3 363.527 3.031 20 30 FGEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001028545413 766123381 /nfs/dbraw/zinc/12/33/81/766123381.db2.gz PRPAVIYNDBJEQJ-WXGPCXSOSA-N 0 3 356.432 3.063 20 30 FGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CC2 ZINC001035724920 766265275 /nfs/dbraw/zinc/26/52/75/766265275.db2.gz DKKZTPHDLRKNFW-HZPDHXFCSA-N 0 3 356.432 3.303 20 30 FGEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC001039142313 766292750 /nfs/dbraw/zinc/29/27/50/766292750.db2.gz QRFGMHDYQKDESR-GGPKGHCWSA-N 0 3 366.933 3.259 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC001054200626 766999917 /nfs/dbraw/zinc/99/99/17/766999917.db2.gz FXYJGQQNYOLTFF-WSTZPKSXSA-N 0 3 360.523 3.154 20 30 FGEDHN CCN1CCC[C@@H](CN(C)c2ncc(C#N)cc2Cl)[C@@H]1c1cnn(C)c1 ZINC000328623421 210115366 /nfs/dbraw/zinc/11/53/66/210115366.db2.gz JDBGSJQPJJMDFS-MAUKXSAKSA-N 0 3 372.904 3.250 20 30 FGEDHN CC[C@@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000571132970 505660829 /nfs/dbraw/zinc/66/08/29/505660829.db2.gz PWIBOUZTBSTXDL-OAQYLSRUSA-N 0 3 363.461 3.272 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCN1C ZINC000574006401 505671839 /nfs/dbraw/zinc/67/18/39/505671839.db2.gz QFNPILXPHMUNAK-GOEBONIOSA-N 0 3 365.437 3.350 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(OCC#N)c1 ZINC000048083134 493782449 /nfs/dbraw/zinc/78/24/49/493782449.db2.gz KRBSYWHKBFUQSS-UHFFFAOYSA-N 0 3 370.428 3.324 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000075862109 493786901 /nfs/dbraw/zinc/78/69/01/493786901.db2.gz OAAOHUYFMBEJBS-MRXNPFEDSA-N 0 3 353.388 3.181 20 30 FGEDHN CC1CCN([C@H](CNC(=O)c2cc(C#N)cn2C)c2cccs2)CC1 ZINC000080942109 493796937 /nfs/dbraw/zinc/79/69/37/493796937.db2.gz WXKKGPBJSKJEGM-QGZVFWFLSA-N 0 3 356.495 3.161 20 30 FGEDHN N#CCOc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000057827558 493805325 /nfs/dbraw/zinc/80/53/25/493805325.db2.gz KBCDGWOOYHAGQK-IBGZPJMESA-N 0 3 364.449 3.375 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000028922079 493808801 /nfs/dbraw/zinc/80/88/01/493808801.db2.gz QNXFQJYDSPREBJ-UKRRQHHQSA-N 0 3 362.376 3.250 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076201385 493842947 /nfs/dbraw/zinc/84/29/47/493842947.db2.gz SRMVBLIORPFYIL-MRXNPFEDSA-N 0 3 367.449 3.334 20 30 FGEDHN CN1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000577197975 505685239 /nfs/dbraw/zinc/68/52/39/505685239.db2.gz HYSBPOKMZKLEHN-ICSRJNTNSA-N 0 3 358.445 3.328 20 30 FGEDHN CN1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000577197977 505685456 /nfs/dbraw/zinc/68/54/56/505685456.db2.gz HYSBPOKMZKLEHN-UYAOXDASSA-N 0 3 358.445 3.328 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000030231817 493881339 /nfs/dbraw/zinc/88/13/39/493881339.db2.gz XJGFSPPKIUVOAG-PXNSSMCTSA-N 0 3 363.461 3.279 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000068884405 493888325 /nfs/dbraw/zinc/88/83/25/493888325.db2.gz YGRLWSGKASPLQO-INIZCTEOSA-N 0 3 360.458 3.024 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000068918865 493895526 /nfs/dbraw/zinc/89/55/26/493895526.db2.gz BQXYIPOKWBDBNM-UHFFFAOYSA-N 0 3 355.663 3.386 20 30 FGEDHN CCN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000052705868 494054620 /nfs/dbraw/zinc/05/46/20/494054620.db2.gz MUDZQYMBQBLPAH-LPHOPBHVSA-N 0 3 354.450 3.390 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNc1ccccc1Cl ZINC000063661730 494075577 /nfs/dbraw/zinc/07/55/77/494075577.db2.gz SJXLEPXHKKNLNR-UHFFFAOYSA-N 0 3 370.884 3.214 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N2CCN(CC3CCCCC3)CC2)c(C#N)c1C ZINC000064129336 494105196 /nfs/dbraw/zinc/10/51/96/494105196.db2.gz YSMYKDYIVYYOAN-MRXNPFEDSA-N 0 3 372.513 3.293 20 30 FGEDHN COC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000053897442 494174424 /nfs/dbraw/zinc/17/44/24/494174424.db2.gz SDEJHZBZIYWDNS-UHFFFAOYSA-N 0 3 361.511 3.328 20 30 FGEDHN Cc1ccccc1CN1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000042104204 494201150 /nfs/dbraw/zinc/20/11/50/494201150.db2.gz HWESZABZBMXNCU-UHFFFAOYSA-N 0 3 350.422 3.487 20 30 FGEDHN COc1cc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1C ZINC000065930881 494257351 /nfs/dbraw/zinc/25/73/51/494257351.db2.gz DRHYIWAOMBGVMN-UHFFFAOYSA-N 0 3 365.477 3.008 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(Cl)cc1 ZINC000065931261 494257973 /nfs/dbraw/zinc/25/79/73/494257973.db2.gz FWGRWVSZHBBDBZ-UHFFFAOYSA-N 0 3 371.868 3.181 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964106 494262482 /nfs/dbraw/zinc/26/24/82/494262482.db2.gz IVOWKGHOHYZLPX-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000055172527 494309694 /nfs/dbraw/zinc/30/96/94/494309694.db2.gz YARWLXAKIDQPSM-UHFFFAOYSA-N 0 3 353.441 3.414 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)C ZINC000043990219 494333389 /nfs/dbraw/zinc/33/33/89/494333389.db2.gz GSNIBFXWTVMMPO-LJQANCHMSA-N 0 3 372.513 3.209 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)c1ccc(C#N)cc1 ZINC000045794113 494463419 /nfs/dbraw/zinc/46/34/19/494463419.db2.gz JKNZDZBUAWDTJY-MRXNPFEDSA-N 0 3 366.465 3.059 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079521179 494472339 /nfs/dbraw/zinc/47/23/39/494472339.db2.gz WKGCAPCEUJWLBA-NRFANRHFSA-N 0 3 362.477 3.364 20 30 FGEDHN N#Cc1ccccc1N1CCCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000046086665 494493346 /nfs/dbraw/zinc/49/33/46/494493346.db2.gz DPOGOMNIMCSWOP-UHFFFAOYSA-N 0 3 357.461 3.456 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000056572145 494528511 /nfs/dbraw/zinc/52/85/11/494528511.db2.gz HUZXNXZPEYMIFT-UHFFFAOYSA-N 0 3 352.438 3.340 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)N1CCCC1 ZINC000056972099 494608286 /nfs/dbraw/zinc/60/82/86/494608286.db2.gz GJENAXRLJVVUQK-QGZVFWFLSA-N 0 3 363.461 3.351 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2ccccc12 ZINC000047011722 494617229 /nfs/dbraw/zinc/61/72/29/494617229.db2.gz TYASPRAZCJXVMF-UHFFFAOYSA-N 0 3 360.461 3.172 20 30 FGEDHN Cc1csc(NC(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)n1 ZINC000047264222 494668111 /nfs/dbraw/zinc/66/81/11/494668111.db2.gz YHKGNZYANFPKEH-UHFFFAOYSA-N 0 3 370.478 3.053 20 30 FGEDHN CCN(CC)C(=O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092592792 494680507 /nfs/dbraw/zinc/68/05/07/494680507.db2.gz KQTZLJSRVNIEPR-UHFFFAOYSA-N 0 3 357.498 3.450 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](C(=O)NCCC)C2)ccc1OC ZINC000092734487 494731829 /nfs/dbraw/zinc/73/18/29/494731829.db2.gz RZILEFJKQAFYIT-SFHVURJKSA-N 0 3 360.498 3.388 20 30 FGEDHN C[C@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000580350630 505738633 /nfs/dbraw/zinc/73/86/33/505738633.db2.gz ANAORUGJCRVXDS-HTAPYJJXSA-N 0 3 366.484 3.337 20 30 FGEDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092010915 494754051 /nfs/dbraw/zinc/75/40/51/494754051.db2.gz GNRBMAISTMGSNU-UYAOXDASSA-N 0 3 368.481 3.048 20 30 FGEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2ccccc2F)s1 ZINC000132045046 494806127 /nfs/dbraw/zinc/80/61/27/494806127.db2.gz AVCSBNGDEVPFEW-UHFFFAOYSA-N 0 3 362.474 3.084 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@@H](N3CCN(CC)CC3)C2)cc1Cl ZINC000093132686 494830131 /nfs/dbraw/zinc/83/01/31/494830131.db2.gz ICWORDZEDMZXKA-GOSISDBHSA-N 0 3 363.933 3.117 20 30 FGEDHN CC(C)n1cnnc1[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000093201791 494841945 /nfs/dbraw/zinc/84/19/45/494841945.db2.gz XANPBVMUZKVMBT-SFHVURJKSA-N 0 3 353.470 3.379 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(N3CCCCC3=O)CC2)c1 ZINC000093741562 494916269 /nfs/dbraw/zinc/91/62/69/494916269.db2.gz HUBWCZXJFQLTHW-UHFFFAOYSA-N 0 3 355.482 3.346 20 30 FGEDHN C[C@H](C#N)CNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000580411101 505753959 /nfs/dbraw/zinc/75/39/59/505753959.db2.gz GIYLROPZLAWPJC-XLIONFOSSA-N 0 3 368.525 3.478 20 30 FGEDHN C=CCCOCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000122657062 495010855 /nfs/dbraw/zinc/01/08/55/495010855.db2.gz LHOGVVXVINOZSH-QUCCMNQESA-N 0 3 359.514 3.274 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2n2cccn2)cc1Cl ZINC000128052323 495037527 /nfs/dbraw/zinc/03/75/27/495037527.db2.gz WTOQETDKXNREIK-SJORKVTESA-N 0 3 357.845 3.120 20 30 FGEDHN Cc1ccc2ncc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)n2c1 ZINC000122844873 495039541 /nfs/dbraw/zinc/03/95/41/495039541.db2.gz VSSJYBHKWTUNQE-UHFFFAOYSA-N 0 3 359.477 3.222 20 30 FGEDHN C=CCOc1ccccc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000111102534 495039839 /nfs/dbraw/zinc/03/98/39/495039839.db2.gz AYAHHWNZERCZHT-UHFFFAOYSA-N 0 3 358.482 3.016 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)[N-]C[C@H]2CCCCO2)c1 ZINC000134185073 495119011 /nfs/dbraw/zinc/11/90/11/495119011.db2.gz WUALCHMEWIZLJP-GOSISDBHSA-O 0 3 369.510 3.380 20 30 FGEDHN C=CC1CCN(C(=O)N[C@@H](CCN(C)CCOC)c2ccccc2)CC1 ZINC000111855854 495122041 /nfs/dbraw/zinc/12/20/41/495122041.db2.gz CQMLUPKSWHVRLM-FQEVSTJZSA-N 0 3 359.514 3.304 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000102736923 495157974 /nfs/dbraw/zinc/15/79/74/495157974.db2.gz AXSNTRVWXPRMRH-UHFFFAOYSA-N 0 3 373.456 3.421 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000123644417 495165777 /nfs/dbraw/zinc/16/57/77/495165777.db2.gz MLZHSFYGEJYYJK-JLLINPMKSA-N 0 3 358.482 3.214 20 30 FGEDHN N#Cc1cc(NC(=O)NCC2(N3CCSCC3)CCCC2)ccc1F ZINC000102955663 495175471 /nfs/dbraw/zinc/17/54/71/495175471.db2.gz LQPJAIGFWZFMSI-UHFFFAOYSA-N 0 3 362.474 3.180 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)N(C)CCC#N ZINC000112536063 495202146 /nfs/dbraw/zinc/20/21/46/495202146.db2.gz KUOWXMKHLGRYLW-QWHCGFSZSA-N 0 3 357.376 3.039 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-c2ccco2)[nH]c1=O)C(C)C ZINC000112919833 495257978 /nfs/dbraw/zinc/25/79/78/495257978.db2.gz KTYUIXUAWMSUPG-SFHVURJKSA-N 0 3 369.465 3.063 20 30 FGEDHN CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)CCCC#N)cc1 ZINC000104110221 495268658 /nfs/dbraw/zinc/26/86/58/495268658.db2.gz SNVURMSDBRFGBW-UHFFFAOYSA-N 0 3 371.506 3.138 20 30 FGEDHN Cc1ccc(OC[C@@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104713450 495300013 /nfs/dbraw/zinc/30/00/13/495300013.db2.gz YDCDZTHCPZHOJU-IBGZPJMESA-N 0 3 366.461 3.150 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000120337082 495355467 /nfs/dbraw/zinc/35/54/67/495355467.db2.gz NQDLFKYDDCYTNG-NQIIRXRSSA-N 0 3 371.525 3.494 20 30 FGEDHN C=CCNc1ncc(C(=O)N2CCCN(CC3CCCCC3)CC2)s1 ZINC000136193433 495363500 /nfs/dbraw/zinc/36/35/00/495363500.db2.gz XSGFKSINNHWKAK-UHFFFAOYSA-N 0 3 362.543 3.469 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCOc2ccc(C(C)=O)cc2)CC1 ZINC000106040004 495406560 /nfs/dbraw/zinc/40/65/60/495406560.db2.gz DHINISZANLSYEE-UHFFFAOYSA-N 0 3 358.482 3.205 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2nc3ccccc3[nH]2)CC1 ZINC000106275013 495441579 /nfs/dbraw/zinc/44/15/79/495441579.db2.gz XVDQEVOOJCNCMP-INIZCTEOSA-N 0 3 355.486 3.354 20 30 FGEDHN CO/N=C/c1ccc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000130818126 495450078 /nfs/dbraw/zinc/45/00/78/495450078.db2.gz VUCNDOCSDWXYRM-HZHRSRAPSA-N 0 3 366.465 3.051 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1c1ncc[nH]1)C(C)C ZINC000106533189 495464091 /nfs/dbraw/zinc/46/40/91/495464091.db2.gz YWQNZJCUEUZOOT-ZWKOTPCHSA-N 0 3 359.518 3.345 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000120901883 495481668 /nfs/dbraw/zinc/48/16/68/495481668.db2.gz USLCRVNEXUEYOV-MRXNPFEDSA-N 0 3 361.449 3.400 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106790344 495497106 /nfs/dbraw/zinc/49/71/06/495497106.db2.gz NLYPSLDJYZQEMM-FXAWDEMLSA-N 0 3 355.482 3.095 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-c2ncon2)cc1)C(C)C ZINC000107357703 495526025 /nfs/dbraw/zinc/52/60/25/495526025.db2.gz GWVULILISQXEHD-SFHVURJKSA-N 0 3 354.454 3.165 20 30 FGEDHN COc1ccc(CN[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1C#N ZINC000185357685 495545168 /nfs/dbraw/zinc/54/51/68/495545168.db2.gz PDXXLGTVLPHPAL-HXUWFJFHSA-N 0 3 367.424 3.289 20 30 FGEDHN CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179453255 495597255 /nfs/dbraw/zinc/59/72/55/495597255.db2.gz AZYKRYAOBBRHRF-MRXNPFEDSA-N 0 3 371.506 3.392 20 30 FGEDHN COc1ncccc1NC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000179458200 495598771 /nfs/dbraw/zinc/59/87/71/495598771.db2.gz FGFDDQQNUQFBNW-CYBMUJFWSA-N 0 3 350.403 3.460 20 30 FGEDHN Cc1nnc(-c2ccccc2C(=O)C(C#N)c2nc3ccccc3n2C)o1 ZINC000182561831 495615940 /nfs/dbraw/zinc/61/59/40/495615940.db2.gz YVEMBSNLGZCQGE-HNNXBMFYSA-N 0 3 357.373 3.422 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)N(C)C)cc1 ZINC000176398819 495637102 /nfs/dbraw/zinc/63/71/02/495637102.db2.gz RJFQNUXPBQGNST-LJQANCHMSA-N 0 3 354.429 3.108 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)c(C#N)c1C ZINC000185634947 495655535 /nfs/dbraw/zinc/65/55/35/495655535.db2.gz AACWJAWFKJEYQA-LRDDRELGSA-N 0 3 355.463 3.329 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000185664241 495668759 /nfs/dbraw/zinc/66/87/59/495668759.db2.gz VDNBFVPXQWSOBA-QFBILLFUSA-N 0 3 357.498 3.394 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000170961733 495669385 /nfs/dbraw/zinc/66/93/85/495669385.db2.gz NBPSWOGPKANCKU-UHFFFAOYSA-N 0 3 368.485 3.105 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000176500658 495674460 /nfs/dbraw/zinc/67/44/60/495674460.db2.gz KIZZLODTEMYOKO-HNNXBMFYSA-N 0 3 365.905 3.447 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000176501500 495674589 /nfs/dbraw/zinc/67/45/89/495674589.db2.gz LDFSYVYRSXAMDT-FQEVSTJZSA-N 0 3 371.525 3.275 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC000176499916 495674754 /nfs/dbraw/zinc/67/47/54/495674754.db2.gz ZLHCHDFVAJTLRR-KRWDZBQOSA-N 0 3 359.514 3.308 20 30 FGEDHN N#Cc1cccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1Br ZINC000580619764 505799182 /nfs/dbraw/zinc/79/91/82/505799182.db2.gz RSRXKPYBQKZJSM-AWEZNQCLSA-N 0 3 362.271 3.067 20 30 FGEDHN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000173843638 495716603 /nfs/dbraw/zinc/71/66/03/495716603.db2.gz NSKNZNGHWXJSRG-MRXNPFEDSA-N 0 3 371.506 3.237 20 30 FGEDHN N#C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000176634197 495728754 /nfs/dbraw/zinc/72/87/54/495728754.db2.gz DFYSZSKBJYCRHF-NRFANRHFSA-N 0 3 368.525 3.177 20 30 FGEDHN C[C@@H](NCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000174028889 495795177 /nfs/dbraw/zinc/79/51/77/495795177.db2.gz RYMNQPABULJBMZ-CYBMUJFWSA-N 0 3 372.266 3.401 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)n1 ZINC000574569510 505805155 /nfs/dbraw/zinc/80/51/55/505805155.db2.gz TZBWFNDCPQJMFK-SFHVURJKSA-N 0 3 363.465 3.329 20 30 FGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000180026942 495828955 /nfs/dbraw/zinc/82/89/55/495828955.db2.gz COCHYHOJGVOMBZ-YJBOKZPZSA-N 0 3 352.438 3.402 20 30 FGEDHN CC(=O)Nc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180039228 495832647 /nfs/dbraw/zinc/83/26/47/495832647.db2.gz ACGMTUGSKPZPLW-UHFFFAOYSA-N 0 3 359.433 3.207 20 30 FGEDHN C=CCC[C@@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000180039996 495833560 /nfs/dbraw/zinc/83/35/60/495833560.db2.gz JLEKOAGREYWFCK-WOJBJXKFSA-N 0 3 359.491 3.421 20 30 FGEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1-n1cccn1 ZINC000183151033 495856635 /nfs/dbraw/zinc/85/66/35/495856635.db2.gz UVKOBAZCPRQDFK-KRWDZBQOSA-N 0 3 365.481 3.208 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000180097609 495856847 /nfs/dbraw/zinc/85/68/47/495856847.db2.gz PHCHXASICLUFSB-OAHLLOKOSA-N 0 3 352.438 3.361 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1-n1cccn1 ZINC000183156910 495860010 /nfs/dbraw/zinc/86/00/10/495860010.db2.gz YHCXENSTQLWHTR-SFHVURJKSA-N 0 3 373.460 3.470 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)NC3(C#N)CCCCC3)cc2)CC1 ZINC000160077004 495879563 /nfs/dbraw/zinc/87/95/63/495879563.db2.gz KGPKQHJHALQZFT-UHFFFAOYSA-N 0 3 354.498 3.173 20 30 FGEDHN Cn1nnc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)ccc21 ZINC000171567366 495930623 /nfs/dbraw/zinc/93/06/23/495930623.db2.gz QESWHYFTAVBQET-LLVKDONJSA-N 0 3 366.331 3.203 20 30 FGEDHN C[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N1CCCCCC1 ZINC000174432460 495958639 /nfs/dbraw/zinc/95/86/39/495958639.db2.gz CSZNCJCQLKVLIH-XJKSGUPXSA-N 0 3 364.287 3.394 20 30 FGEDHN CN(C)c1cc(CNCc2cnc3ccc(C#N)cn23)c2ccccc2n1 ZINC000174438473 495961140 /nfs/dbraw/zinc/96/11/40/495961140.db2.gz OFAPWGJFTHJKGG-UHFFFAOYSA-N 0 3 356.433 3.110 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)Cc1ccc(C#N)cc1 ZINC000180429237 495992690 /nfs/dbraw/zinc/99/26/90/495992690.db2.gz FENHANPJVYOGFH-UHFFFAOYSA-N 0 3 362.477 3.261 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000171698704 495994162 /nfs/dbraw/zinc/99/41/62/495994162.db2.gz HRHHLZDPEJBVQI-ZDUSSCGKSA-N 0 3 366.303 3.460 20 30 FGEDHN C[C@H](N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1(C)CC1 ZINC000177252500 495994604 /nfs/dbraw/zinc/99/46/04/495994604.db2.gz SWWGHHKKWQOMEU-AWEZNQCLSA-N 0 3 352.400 3.294 20 30 FGEDHN C[C@H]1CCCN(C(=O)C2CCN(CCCOc3cccc(C#N)c3)CC2)C1 ZINC000155602703 496009903 /nfs/dbraw/zinc/00/99/03/496009903.db2.gz GHSLJGGYULDZMY-SFHVURJKSA-N 0 3 369.509 3.298 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000171728383 496010005 /nfs/dbraw/zinc/01/00/05/496010005.db2.gz PHPDXXNOZXNQQQ-UHFFFAOYSA-N 0 3 370.266 3.038 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2Cc2ccccc2OC)CC1 ZINC000171739234 496014378 /nfs/dbraw/zinc/01/43/78/496014378.db2.gz FDUFMMWDGVVFAL-LJQANCHMSA-N 0 3 357.498 3.062 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC000171737490 496014625 /nfs/dbraw/zinc/01/46/25/496014625.db2.gz OEOJRJTWVZSUIX-UHFFFAOYSA-N 0 3 355.404 3.497 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N(C)C(=O)OCC)cc2)CC1 ZINC000171739197 496015317 /nfs/dbraw/zinc/01/53/17/496015317.db2.gz OZLQXACWWGBSFS-UHFFFAOYSA-N 0 3 360.458 3.051 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000180522341 496030845 /nfs/dbraw/zinc/03/08/45/496030845.db2.gz JUYCWQZPENZYNX-RBUKOAKNSA-N 0 3 355.482 3.332 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000174666927 496052994 /nfs/dbraw/zinc/05/29/94/496052994.db2.gz DLVOFUFGJWZBKH-NRFANRHFSA-N 0 3 355.526 3.198 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000174679582 496058638 /nfs/dbraw/zinc/05/86/38/496058638.db2.gz RSCLZWMOIYPLIB-VWNXMTODSA-N 0 3 373.500 3.353 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2[C@@H]2CCCOC2)c1C ZINC000574634106 505820740 /nfs/dbraw/zinc/82/07/40/505820740.db2.gz JHJWMHCWXMPFAX-CTNGQTDRSA-N 0 3 369.509 3.441 20 30 FGEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000177731088 496175788 /nfs/dbraw/zinc/17/57/88/496175788.db2.gz JJKLVMKMRJRSEM-PVPMGCCUSA-N 0 3 369.490 3.317 20 30 FGEDHN C=CCOc1ccccc1CN[C@H](C)Cn1cc(Br)cn1 ZINC000161515597 496190034 /nfs/dbraw/zinc/19/00/34/496190034.db2.gz SMSWITLFEKKCDJ-CYBMUJFWSA-N 0 3 350.260 3.389 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1sccc1C#N ZINC000161570609 496199991 /nfs/dbraw/zinc/19/99/91/496199991.db2.gz ZTNYTLZZDNYRDA-KRWDZBQOSA-N 0 3 369.490 3.452 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000186905898 496204446 /nfs/dbraw/zinc/20/44/46/496204446.db2.gz XOJLVZMVVZAEPK-INIZCTEOSA-N 0 3 355.404 3.282 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000152701363 496231537 /nfs/dbraw/zinc/23/15/37/496231537.db2.gz IFTJFHDQFQQUNO-CEXWTWQISA-N 0 3 357.498 3.174 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCCc3nc(CC)sc32)CC1 ZINC000177868946 496232865 /nfs/dbraw/zinc/23/28/65/496232865.db2.gz VWHQNBQCRODBTG-INIZCTEOSA-N 0 3 362.543 3.375 20 30 FGEDHN CCC(C)(C)[N-]C(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000186972761 496235992 /nfs/dbraw/zinc/23/59/92/496235992.db2.gz YYZXROYNXYFENL-UHFFFAOYSA-O 0 3 357.499 3.183 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000571865628 505832549 /nfs/dbraw/zinc/83/25/49/505832549.db2.gz XHNNUDHVLFVUIX-NRFANRHFSA-N 0 3 362.477 3.367 20 30 FGEDHN CC(C)(C#N)c1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000172404762 496284140 /nfs/dbraw/zinc/28/41/40/496284140.db2.gz ITTYRXAJQNBMKF-UHFFFAOYSA-N 0 3 370.497 3.064 20 30 FGEDHN CC(C)Cc1ncc(CNC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000162435925 496353012 /nfs/dbraw/zinc/35/30/12/496353012.db2.gz MWTBRMOAJUMIDR-UHFFFAOYSA-N 0 3 355.511 3.367 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2c(SC)cnn2-c2ccccc2)CC1 ZINC000178187519 496362028 /nfs/dbraw/zinc/36/20/28/496362028.db2.gz LOXOCOVBLBEQHK-UHFFFAOYSA-N 0 3 371.510 3.366 20 30 FGEDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1cccc(C#N)c1 ZINC000162515911 496365254 /nfs/dbraw/zinc/36/52/54/496365254.db2.gz QTMOLUGXECBLMD-IBGZPJMESA-N 0 3 372.856 3.382 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000181464639 496407536 /nfs/dbraw/zinc/40/75/36/496407536.db2.gz XOWKEAQKZKABLV-UHFFFAOYSA-N 0 3 358.873 3.355 20 30 FGEDHN Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000181465887 496407936 /nfs/dbraw/zinc/40/79/36/496407936.db2.gz BQMGQIQQKNQXRN-HNNXBMFYSA-N 0 3 355.413 3.117 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3ccccc3C)nn2C)CC1 ZINC000153369203 496433463 /nfs/dbraw/zinc/43/34/63/496433463.db2.gz ZODVTFXBXKXVJN-UHFFFAOYSA-N 0 3 353.470 3.167 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H](Cc3nccn3C)C2)cc(OC)c1O ZINC000184728951 496509780 /nfs/dbraw/zinc/50/97/80/496509780.db2.gz FBHXYNDVFDRSPA-MRXNPFEDSA-N 0 3 355.482 3.318 20 30 FGEDHN CC[C@H](NCc1ccc(C#N)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153651285 496533291 /nfs/dbraw/zinc/53/32/91/496533291.db2.gz QVBPVCNBEMQAFO-VQTJNVASSA-N 0 3 355.507 3.389 20 30 FGEDHN CC[C@H](NCc1cc(C#N)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153651882 496533739 /nfs/dbraw/zinc/53/37/39/496533739.db2.gz YROPUZZZAYPLEU-VQTJNVASSA-N 0 3 355.507 3.389 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000173199380 496589821 /nfs/dbraw/zinc/58/98/21/496589821.db2.gz IKTAFGSKEYJPCC-CQSZACIVSA-N 0 3 366.531 3.032 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000187838878 496590014 /nfs/dbraw/zinc/59/00/14/496590014.db2.gz KAKWHHOMIGFZAQ-MSOLQXFVSA-N 0 3 369.509 3.172 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000181895757 496591163 /nfs/dbraw/zinc/59/11/63/496591163.db2.gz DQWVFIFFVASGCM-OAHLLOKOSA-N 0 3 357.376 3.004 20 30 FGEDHN C[C@@](C#N)(NC(=O)CN[C@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000184980029 496609179 /nfs/dbraw/zinc/60/91/79/496609179.db2.gz XTDOHVRAMSNUIT-XLIONFOSSA-N 0 3 353.491 3.430 20 30 FGEDHN COc1cc([O-])c(C[NH2+]CCSCc2ccccc2C#N)cc1OC ZINC000182022015 496637860 /nfs/dbraw/zinc/63/78/60/496637860.db2.gz LNTZVZNNNZKWPF-UHFFFAOYSA-N 0 3 358.463 3.304 20 30 FGEDHN N#Cc1cc(NCc2ccccc2CN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000166916026 496695207 /nfs/dbraw/zinc/69/52/07/496695207.db2.gz MJDVWOCQLAJNOD-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000191456252 496769292 /nfs/dbraw/zinc/76/92/92/496769292.db2.gz ZWZUFMONAUYXGC-HRAATJIYSA-N 0 3 353.466 3.312 20 30 FGEDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000191504484 496787318 /nfs/dbraw/zinc/78/73/18/496787318.db2.gz JUSVLDFSSOZCEP-UHFFFAOYSA-N 0 3 373.888 3.321 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)c2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC000188472217 496800795 /nfs/dbraw/zinc/80/07/95/496800795.db2.gz XHFMALUVOJSNFZ-DOTOQJQBSA-N 0 3 351.425 3.480 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(n3c(C)ccc3C)CC2)CC1 ZINC000264437909 496900439 /nfs/dbraw/zinc/90/04/39/496900439.db2.gz YSRRZXHZAKHPIZ-UHFFFAOYSA-N 0 3 358.530 3.492 20 30 FGEDHN COc1ccc(C#N)cc1CN(CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000572034798 505874418 /nfs/dbraw/zinc/87/44/18/505874418.db2.gz YMAXZDPBJBSMLM-UHFFFAOYSA-N 0 3 374.481 3.280 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264691140 496965248 /nfs/dbraw/zinc/96/52/48/496965248.db2.gz ARQKKFYLKXUQIQ-LJQANCHMSA-N 0 3 355.482 3.194 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cn[nH]c1 ZINC000274037405 496999147 /nfs/dbraw/zinc/99/91/47/496999147.db2.gz NAQNWUMLROJBLT-LBPRGKRZSA-N 0 3 357.483 3.291 20 30 FGEDHN COc1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C2CC2)cc1 ZINC000248568028 497042816 /nfs/dbraw/zinc/04/28/16/497042816.db2.gz NTIGTMHDHMNACY-QVKFZJNVSA-N 0 3 355.482 3.104 20 30 FGEDHN Cc1cc(NC(=O)N2CCC(CCC#N)CC2)n(C2CCN(C)CC2)n1 ZINC000569220159 505881713 /nfs/dbraw/zinc/88/17/13/505881713.db2.gz OPXMDUJOFBLPLD-UHFFFAOYSA-N 0 3 358.490 3.006 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000278380486 497094955 /nfs/dbraw/zinc/09/49/55/497094955.db2.gz CQQDFDVDUXUAJB-SFHVURJKSA-N 0 3 365.905 3.319 20 30 FGEDHN COC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C#N)n1 ZINC000581022499 505892716 /nfs/dbraw/zinc/89/27/16/505892716.db2.gz XDTRKLQHODTJAN-DOTOQJQBSA-N 0 3 364.449 3.205 20 30 FGEDHN COc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc(OC)c1OC ZINC000192946056 497255482 /nfs/dbraw/zinc/25/54/82/497255482.db2.gz DKOWMDGAQUQTDJ-AWEZNQCLSA-N 0 3 356.422 3.466 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccncc2Br)CC1 ZINC000271163228 497278460 /nfs/dbraw/zinc/27/84/60/497278460.db2.gz JODKHGDMIIADRQ-UHFFFAOYSA-N 0 3 353.264 3.006 20 30 FGEDHN N#Cc1cnc(NCc2ccccc2CN2CCC(O)CC2)c(Cl)c1 ZINC000266233037 497285101 /nfs/dbraw/zinc/28/51/01/497285101.db2.gz JUMGVDQGSBZFNH-UHFFFAOYSA-N 0 3 356.857 3.175 20 30 FGEDHN N#CC(CCN1CCC[C@@H](OCCO)C1)(c1ccccc1)c1ccccc1 ZINC000193054917 497289326 /nfs/dbraw/zinc/28/93/26/497289326.db2.gz SJBSRDBHNLNLTM-JOCHJYFZSA-N 0 3 364.489 3.360 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000271223725 497295454 /nfs/dbraw/zinc/29/54/54/497295454.db2.gz NZDXULVXGYYLQY-UHFFFAOYSA-N 0 3 368.275 3.230 20 30 FGEDHN CSc1cccc(N(C(=O)c2ccnc(C#N)c2)C2CCN(C)CC2)c1 ZINC000193566152 497415478 /nfs/dbraw/zinc/41/54/78/497415478.db2.gz RTROWVIRBUAQOW-UHFFFAOYSA-N 0 3 366.490 3.416 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266765159 497415727 /nfs/dbraw/zinc/41/57/27/497415727.db2.gz RDDFTWHFUCCPKA-QGZVFWFLSA-N 0 3 365.481 3.233 20 30 FGEDHN C=CCn1c(SC[C@H](O)CN(C)CC)nnc1-c1cccc(Cl)c1 ZINC000581081475 505905590 /nfs/dbraw/zinc/90/55/90/505905590.db2.gz BCRGHQLFFAUDEU-OAHLLOKOSA-N 0 3 366.918 3.189 20 30 FGEDHN N#CCCn1cc(CN2CCC([C@@H]3CCCO3)CC2)c(-c2ccncc2)n1 ZINC000279415294 497433879 /nfs/dbraw/zinc/43/38/79/497433879.db2.gz OHWPVTDATRRBBY-FQEVSTJZSA-N 0 3 365.481 3.250 20 30 FGEDHN Cc1ccc([C@H](CCn2cncn2)NCc2ccc(OCC#N)cc2)cc1 ZINC000275926916 497465077 /nfs/dbraw/zinc/46/50/77/497465077.db2.gz WZPPJTXGVQIHPF-NRFANRHFSA-N 0 3 361.449 3.410 20 30 FGEDHN C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271928407 497489893 /nfs/dbraw/zinc/48/98/93/497489893.db2.gz KARJGFLEFQNGIJ-AWEZNQCLSA-N 0 3 355.413 3.015 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245702377 497508017 /nfs/dbraw/zinc/50/80/17/497508017.db2.gz ZQHDOKJVEXLYCS-PZJWPPBQSA-N 0 3 365.477 3.496 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000279780535 497539375 /nfs/dbraw/zinc/53/93/75/497539375.db2.gz UIUJSAGMHBACLT-NRFANRHFSA-N 0 3 371.440 3.362 20 30 FGEDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(C#N)c1 ZINC000245822385 497544721 /nfs/dbraw/zinc/54/47/21/497544721.db2.gz AITVLHHROSUIGJ-IXDOHACOSA-N 0 3 350.466 3.418 20 30 FGEDHN C=CCOc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000194067495 497562959 /nfs/dbraw/zinc/56/29/59/497562959.db2.gz AXTNWOUJHCIEAO-MRXNPFEDSA-N 0 3 374.506 3.353 20 30 FGEDHN CCOC(=O)CC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272332549 497599536 /nfs/dbraw/zinc/59/95/36/497599536.db2.gz WSDAUWTYTWRPGP-UHFFFAOYSA-N 0 3 366.465 3.124 20 30 FGEDHN CN(c1ccccc1)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280129664 497658491 /nfs/dbraw/zinc/65/84/91/497658491.db2.gz QIUUHTOHTCCCAR-HXUWFJFHSA-N 0 3 372.472 3.368 20 30 FGEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000272596227 497675100 /nfs/dbraw/zinc/67/51/00/497675100.db2.gz XXUGWZCEGRKOTJ-DOTOQJQBSA-N 0 3 359.470 3.324 20 30 FGEDHN CC[C@H](C)Oc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccn1 ZINC000280361595 497730600 /nfs/dbraw/zinc/73/06/00/497730600.db2.gz RTZAZJJVVHRZKO-HNAYVOBHSA-N 0 3 362.433 3.129 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000280422567 497748958 /nfs/dbraw/zinc/74/89/58/497748958.db2.gz PLXBSUAPULOZQG-VOQZNFBZSA-N 0 3 372.472 3.020 20 30 FGEDHN Cc1nc(C(=O)N2CCCN(CCCc3ccccc3)CC2)ccc1C#N ZINC000263673821 497807521 /nfs/dbraw/zinc/80/75/21/497807521.db2.gz FVGIKIUFKCYYCU-UHFFFAOYSA-N 0 3 362.477 3.042 20 30 FGEDHN CCCN(Cc1ccc(C#N)cn1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000581202439 505932792 /nfs/dbraw/zinc/93/27/92/505932792.db2.gz XAFKSBFELSCLQD-UHFFFAOYSA-N 0 3 364.497 3.241 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)CCC(=O)N2CCSc3ccccc32)CCN1C ZINC000329691498 497870426 /nfs/dbraw/zinc/87/04/26/497870426.db2.gz GRYSDHUNJRCRDV-CABCVRRESA-N 0 3 361.511 3.345 20 30 FGEDHN C[C@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)C1=CCN(C)CC1 ZINC000329713490 497877241 /nfs/dbraw/zinc/87/72/41/497877241.db2.gz ROOXCNKSPRNVCV-YOEHRIQHSA-N 0 3 357.454 3.117 20 30 FGEDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000295982371 497878866 /nfs/dbraw/zinc/87/88/66/497878866.db2.gz JIRLVUIMHOZNEB-RTBURBONSA-N 0 3 356.514 3.046 20 30 FGEDHN COCc1cccc2sc(=NC(=O)N(C)C[C@H]3CCCN(C)C3)[nH]c21 ZINC000329760424 497892260 /nfs/dbraw/zinc/89/22/60/497892260.db2.gz QDNQKALBGZXGHF-ZDUSSCGKSA-N 0 3 362.499 3.262 20 30 FGEDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000296033508 497897964 /nfs/dbraw/zinc/89/79/64/497897964.db2.gz MRAXLFNXLZKQNU-DLBZAZTESA-N 0 3 374.554 3.435 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1ccccn1 ZINC000299709803 497903300 /nfs/dbraw/zinc/90/33/00/497903300.db2.gz QELFEVTYURHLHZ-UHFFFAOYSA-N 0 3 354.479 3.007 20 30 FGEDHN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)cc2F)n1 ZINC000329795740 497904213 /nfs/dbraw/zinc/90/42/13/497904213.db2.gz DDGBCLOXCSPEOI-KPZWWZAWSA-N 0 3 356.445 3.416 20 30 FGEDHN CN(C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)C1(C#N)CCCCC1 ZINC000329815688 497911970 /nfs/dbraw/zinc/91/19/70/497911970.db2.gz NXKOQGVSPVGRKB-GUDVDZBRSA-N 0 3 361.530 3.077 20 30 FGEDHN COc1cccc([C@H](CNc2nnc(C)c(C)c2C#N)N2CCCC2)c1 ZINC000301059571 497932591 /nfs/dbraw/zinc/93/25/91/497932591.db2.gz CZLGMKATWOCNSB-IBGZPJMESA-N 0 3 351.454 3.223 20 30 FGEDHN C[C@@H](CNC[C@H](O)COc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000575248716 505950461 /nfs/dbraw/zinc/95/04/61/505950461.db2.gz QIGKRWMELXKCOH-YOEHRIQHSA-N 0 3 360.841 3.008 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000329883333 497938609 /nfs/dbraw/zinc/93/86/09/497938609.db2.gz QXRKRPNXMHRGML-XFWGSAIBSA-N 0 3 368.481 3.290 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)c2cc3n(n2)CCCO3)N2CCCC2)cc1 ZINC000329887545 497939608 /nfs/dbraw/zinc/93/96/08/497939608.db2.gz XOAJQQXXVJVMQK-SFHVURJKSA-N 0 3 354.454 3.116 20 30 FGEDHN CCO[C@@H]1C[C@H]([NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C12CCCCC2 ZINC000329889926 497940935 /nfs/dbraw/zinc/94/09/35/497940935.db2.gz FIWIBIMCCXPAFC-IXDOHACOSA-N 0 3 360.502 3.077 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000292310659 497965258 /nfs/dbraw/zinc/96/52/58/497965258.db2.gz OEDRMPOOSGZWSP-KSSFIOAISA-N 0 3 363.527 3.090 20 30 FGEDHN C#Cc1ccccc1CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000292313801 497966042 /nfs/dbraw/zinc/96/60/42/497966042.db2.gz WJNBYNJXDQOVHE-UHFFFAOYSA-N 0 3 362.473 3.053 20 30 FGEDHN N#CCOc1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000288991099 497972982 /nfs/dbraw/zinc/97/29/82/497972982.db2.gz ZYROODTVJHZOCH-NRFANRHFSA-N 0 3 354.425 3.155 20 30 FGEDHN CC(C)N1CCC[C@H](NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C1 ZINC000329965916 497973214 /nfs/dbraw/zinc/97/32/14/497973214.db2.gz UPEZSSHAVHOYCX-AEFFLSMTSA-N 0 3 364.534 3.384 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000281092969 498017120 /nfs/dbraw/zinc/01/71/20/498017120.db2.gz URFKGLYGMVGWOM-NRDMVMEKSA-N 0 3 371.525 3.320 20 30 FGEDHN CC1(C)[C@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]2CCO[C@H]21 ZINC000296388864 498023735 /nfs/dbraw/zinc/02/37/35/498023735.db2.gz UDWDHHRCUIQBKO-FSPWUOQZSA-N 0 3 373.522 3.230 20 30 FGEDHN CS[C@H]1CN(C(=O)Nc2c(C)noc2-c2ccccc2)C[C@H]1N(C)C ZINC000330161824 498045307 /nfs/dbraw/zinc/04/53/07/498045307.db2.gz RZUVYTUCPLVJEH-CABCVRRESA-N 0 3 360.483 3.173 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000296443945 498046341 /nfs/dbraw/zinc/04/63/41/498046341.db2.gz UPCDCLSAEWLKDU-BBWFWOEESA-N 0 3 360.527 3.342 20 30 FGEDHN O=C(CN1CCCCCCC1=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000330199729 498059749 /nfs/dbraw/zinc/05/97/49/498059749.db2.gz VUQNIKQRCGDZQD-UHFFFAOYSA-N 0 3 373.497 3.024 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000330270099 498087703 /nfs/dbraw/zinc/08/77/03/498087703.db2.gz SWJKDOVWEPSZRM-QXCFHYIPSA-N 0 3 370.497 3.319 20 30 FGEDHN CN1CC[C@@H](NCc2ccc(OCC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000289318203 498102973 /nfs/dbraw/zinc/10/29/73/498102973.db2.gz BXTVYMSIUGRNPP-WOJBJXKFSA-N 0 3 357.404 3.402 20 30 FGEDHN C=C(C)COc1cc(CNCC2(S(C)(=O)=O)CCCC2)ccc1OC ZINC000285526649 498117628 /nfs/dbraw/zinc/11/76/28/498117628.db2.gz PKPZBNFTPKHHQB-UHFFFAOYSA-N 0 3 367.511 3.097 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000285547796 498125417 /nfs/dbraw/zinc/12/54/17/498125417.db2.gz MAFXCASAGAOHOV-IRXDYDNUSA-N 0 3 359.539 3.462 20 30 FGEDHN CS[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000330806814 498196943 /nfs/dbraw/zinc/19/69/43/498196943.db2.gz HQSAYZQOQMCEKF-KGLIPLIRSA-N 0 3 372.416 3.100 20 30 FGEDHN CS[C@H]1CN(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@@H]1N(C)C ZINC000330871772 498208195 /nfs/dbraw/zinc/20/81/95/498208195.db2.gz RGXFPZOEMWNLMK-GJZGRUSLSA-N 0 3 355.891 3.066 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289636547 498226316 /nfs/dbraw/zinc/22/63/16/498226316.db2.gz FLTAASTUCRLQAI-UHFFFAOYSA-N 0 3 365.412 3.165 20 30 FGEDHN N#Cc1ccc(CC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285889140 498231399 /nfs/dbraw/zinc/23/13/99/498231399.db2.gz RGVWQXYZVHKBMG-HSZRJFAPSA-N 0 3 359.473 3.225 20 30 FGEDHN N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000572573267 506001230 /nfs/dbraw/zinc/00/12/30/506001230.db2.gz SORKBVZORBECAI-IBGZPJMESA-N 0 3 366.509 3.262 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285987409 498259217 /nfs/dbraw/zinc/25/92/17/498259217.db2.gz XNMWHOPEPVGPFB-KCZVDYSFSA-N 0 3 354.494 3.092 20 30 FGEDHN CC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c(Cl)c1 ZINC000331229468 498279373 /nfs/dbraw/zinc/27/93/73/498279373.db2.gz COUHAKZBPXYJKE-FZMZJTMJSA-N 0 3 352.866 3.258 20 30 FGEDHN Cc1ccc([C@@H](c2ccccn2)N(C)CCC(=O)N(C)CCC#N)cc1 ZINC000360810568 498314042 /nfs/dbraw/zinc/31/40/42/498314042.db2.gz MGUPWNDUFKHPFR-NRFANRHFSA-N 0 3 350.466 3.173 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281961104 498334478 /nfs/dbraw/zinc/33/44/78/498334478.db2.gz GEDPFIYVVRPVGH-QUCCMNQESA-N 0 3 350.466 3.004 20 30 FGEDHN COC[C@]1(CN[C@H](C)c2ccc(OCC#N)cc2)OCCc2ccccc21 ZINC000289899615 498344618 /nfs/dbraw/zinc/34/46/18/498344618.db2.gz TVAAEWBXJGIXHG-VGSWGCGISA-N 0 3 366.461 3.354 20 30 FGEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000331487603 498347609 /nfs/dbraw/zinc/34/76/09/498347609.db2.gz YAUNZSOIXOSKTB-FTRWYGJKSA-N 0 3 355.482 3.214 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000365204926 498349883 /nfs/dbraw/zinc/34/98/83/498349883.db2.gz TUMACDRRZSTTAJ-ACWOFJMJSA-N 0 3 359.495 3.176 20 30 FGEDHN Cn1cc(CN2CC[C@@]3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000365234609 498364325 /nfs/dbraw/zinc/36/43/25/498364325.db2.gz OPWXPEQSJSPXGA-PXNSSMCTSA-N 0 3 358.486 3.166 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000365241901 498369916 /nfs/dbraw/zinc/36/99/16/498369916.db2.gz SRGZHFSHFCGOAY-IBGZPJMESA-N 0 3 363.465 3.295 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000361429343 498390954 /nfs/dbraw/zinc/39/09/54/498390954.db2.gz HQZNWIRAMFFNKP-UHFFFAOYSA-N 0 3 351.425 3.226 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Nc3ccc(C)cc3)CC2)CC1 ZINC000361554244 498406523 /nfs/dbraw/zinc/40/65/23/498406523.db2.gz GECDBSOZCOPWNG-UHFFFAOYSA-N 0 3 356.514 3.231 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000569857816 506032890 /nfs/dbraw/zinc/03/28/90/506032890.db2.gz KZGLBVKDEDIDKB-QZTJIDSGSA-N 0 3 369.513 3.270 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2c[nH]nc2C)CC1 ZINC000572742755 506041812 /nfs/dbraw/zinc/04/18/12/506041812.db2.gz NGWAPODNLVIGMI-LJQANCHMSA-N 0 3 355.482 3.066 20 30 FGEDHN Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000290274309 498491374 /nfs/dbraw/zinc/49/13/74/498491374.db2.gz URMVPJBFOMSALR-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(C2)CCCCC3)cc1 ZINC000286985068 498580997 /nfs/dbraw/zinc/58/09/97/498580997.db2.gz CGOGILBHCWDPBU-CQSZACIVSA-N 0 3 361.467 3.170 20 30 FGEDHN N#CCC[C@H](C#N)CN[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000572825822 506061102 /nfs/dbraw/zinc/06/11/02/506061102.db2.gz LDONOTCFJLIHCI-HIFRSBDPSA-N 0 3 355.392 3.176 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ccncn3)CC2)cc1Cl ZINC000298034271 498644250 /nfs/dbraw/zinc/64/42/50/498644250.db2.gz COERWUNNRXEUJC-UHFFFAOYSA-N 0 3 369.856 3.210 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C ZINC000287174538 498660192 /nfs/dbraw/zinc/66/01/92/498660192.db2.gz JTJPTHDWFDJXJX-RISCZKNCSA-N 0 3 365.275 3.267 20 30 FGEDHN CCN1CCN(Cc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)CC1 ZINC000294455566 498698005 /nfs/dbraw/zinc/69/80/05/498698005.db2.gz LIOOYUSYPCKJEK-JOCHJYFZSA-N 0 3 366.509 3.237 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000298344916 498739041 /nfs/dbraw/zinc/73/90/41/498739041.db2.gz GTBDSAXEOGCYTJ-RCZSKKKRSA-N 0 3 366.509 3.376 20 30 FGEDHN C[C@]12CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]1C2(F)F ZINC000298353445 498742521 /nfs/dbraw/zinc/74/25/21/498742521.db2.gz SZXZRXPPZYOCFJ-PBHICJAKSA-N 0 3 365.449 3.414 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000294814954 498814619 /nfs/dbraw/zinc/81/46/19/498814619.db2.gz LPDYFBWZAKOZEI-LJQANCHMSA-N 0 3 353.491 3.242 20 30 FGEDHN CN(C(=O)Nc1cccc(C#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000363472801 498837637 /nfs/dbraw/zinc/83/76/37/498837637.db2.gz USGWTYLTPKANDQ-UHFFFAOYSA-N 0 3 363.465 3.124 20 30 FGEDHN N#CCCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(F)cc1 ZINC000573034470 506102904 /nfs/dbraw/zinc/10/29/04/506102904.db2.gz XKKPJQNMHHZBHW-SFHVURJKSA-N 0 3 366.440 3.380 20 30 FGEDHN Cn1cc([C@@H]2CN(CC#Cc3ccc(Cl)cc3)CC23CCOCC3)cn1 ZINC000295106463 498912232 /nfs/dbraw/zinc/91/22/32/498912232.db2.gz HVTJVEBMTWUDIQ-FQEVSTJZSA-N 0 3 369.896 3.321 20 30 FGEDHN Cc1cc(Cl)c2ncc(C#N)c(N3CCN(C[C@H]4CCOC4)CC3)c2c1 ZINC000328736803 498920716 /nfs/dbraw/zinc/92/07/16/498920716.db2.gz JXHLPISNEKRGNK-OAHLLOKOSA-N 0 3 370.884 3.227 20 30 FGEDHN Cn1cncc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CCO1 ZINC000328746310 498924429 /nfs/dbraw/zinc/92/44/29/498924429.db2.gz AMEGCRZLFZBBQA-AYBZRNKSSA-N 0 3 360.502 3.394 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C12CCCC2 ZINC000333195691 498932817 /nfs/dbraw/zinc/93/28/17/498932817.db2.gz XCNXPEGCLJWULT-OWCLPIDISA-N 0 3 359.495 3.052 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000328863745 498965786 /nfs/dbraw/zinc/96/57/86/498965786.db2.gz VWYZBTZDHCNBJW-SJLPKXTDSA-N 0 3 367.497 3.059 20 30 FGEDHN C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000288211677 498968190 /nfs/dbraw/zinc/96/81/90/498968190.db2.gz RMHIYFAVOKKXJB-OXQOHEQNSA-N 0 3 350.466 3.391 20 30 FGEDHN C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000288211674 498968675 /nfs/dbraw/zinc/96/86/75/498968675.db2.gz RMHIYFAVOKKXJB-OXJNMPFZSA-N 0 3 350.466 3.391 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000328888837 498975546 /nfs/dbraw/zinc/97/55/46/498975546.db2.gz PXWUDLBSNGDPFM-QEEHTWDDSA-N 0 3 372.513 3.471 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N(C3CC3)C3(C#N)CCC3)cc2)CC1 ZINC000328901321 498979228 /nfs/dbraw/zinc/97/92/28/498979228.db2.gz YYDOEYGUMJHBSG-UHFFFAOYSA-N 0 3 366.509 3.268 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(CC#N)cc1 ZINC000579224721 506123728 /nfs/dbraw/zinc/12/37/28/506123728.db2.gz BHZORDDZXSRXPZ-LAUBAEHRSA-N 0 3 362.477 3.072 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000366699081 499037693 /nfs/dbraw/zinc/03/76/93/499037693.db2.gz HZDBOTZLVNLSCN-AHCXZYCDSA-N 0 3 363.527 3.021 20 30 FGEDHN O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CC[C@H](N2CCCCC2)C1 ZINC000329147949 499055741 /nfs/dbraw/zinc/05/57/41/499055741.db2.gz BCKFLQXXTDKDFJ-ZDUSSCGKSA-N 0 3 353.369 3.114 20 30 FGEDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329201843 499071065 /nfs/dbraw/zinc/07/10/65/499071065.db2.gz BYWIPIZVYUMMLJ-MHTWAQMVSA-N 0 3 371.525 3.190 20 30 FGEDHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1=CCN(C)CC1 ZINC000329218448 499075331 /nfs/dbraw/zinc/07/53/31/499075331.db2.gz RTPGSSDJEVIHCJ-OXJNMPFZSA-N 0 3 369.509 3.204 20 30 FGEDHN O=C(N[C@H]1CCN(C2CC2)C1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000329279319 499090911 /nfs/dbraw/zinc/09/09/11/499090911.db2.gz JYFGXWBGNINPKO-HNNXBMFYSA-N 0 3 354.454 3.237 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(C#N)c1C ZINC000284385571 499099129 /nfs/dbraw/zinc/09/91/29/499099129.db2.gz VHHOQZPNEYYGLC-IEBWSBKVSA-N 0 3 368.506 3.210 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000329334881 499101910 /nfs/dbraw/zinc/10/19/10/499101910.db2.gz OGNRMWPQFONWFQ-ATZDWAIDSA-N 0 3 370.497 3.177 20 30 FGEDHN CCN1CCC[C@H](NC(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)C1 ZINC000329348800 499105020 /nfs/dbraw/zinc/10/50/20/499105020.db2.gz SHYNKYDBAWHTLA-IRXDYDNUSA-N 0 3 368.485 3.007 20 30 FGEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000329347399 499105038 /nfs/dbraw/zinc/10/50/38/499105038.db2.gz RTILCRMDCWJSDJ-IAGOWNOFSA-N 0 3 364.534 3.265 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)no1 ZINC000329399212 499115372 /nfs/dbraw/zinc/11/53/72/499115372.db2.gz VKRREKXWAOQLED-QGTPRVQTSA-N 0 3 369.469 3.264 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)[C@@H]2C1 ZINC000329464317 499125164 /nfs/dbraw/zinc/12/51/64/499125164.db2.gz UVYJECBBAPLYKL-CRAIPNDOSA-N 0 3 352.438 3.445 20 30 FGEDHN CC1CCN(C[C@H](O)CNC(=O)c2scnc2C2CCCC2)CC1 ZINC000329525345 499129245 /nfs/dbraw/zinc/12/92/45/499129245.db2.gz QXWCOGWSZFYPFR-OAHLLOKOSA-N 0 3 351.516 3.198 20 30 FGEDHN COCCn1cc2c(n1)[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)CCC2 ZINC000329530971 499129358 /nfs/dbraw/zinc/12/93/58/499129358.db2.gz WCVZHPUAIAMJGP-MSOLQXFVSA-N 0 3 360.502 3.270 20 30 FGEDHN N#Cc1ccccc1Cn1cccc1CNCc1cccc(-n2cncn2)c1 ZINC000372469302 499131231 /nfs/dbraw/zinc/13/12/31/499131231.db2.gz VANUPZWJGYCOBE-UHFFFAOYSA-N 0 3 368.444 3.279 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2-c2cnn(C)c2)CC1 ZINC000370116131 499182795 /nfs/dbraw/zinc/18/27/95/499182795.db2.gz ZMNHQYTXZZOANN-UHFFFAOYSA-N 0 3 371.460 3.388 20 30 FGEDHN CCN(C(=O)c1cc(C#N)cn1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000370242017 499201432 /nfs/dbraw/zinc/20/14/32/499201432.db2.gz HJGVLWNIPQZRMY-APWZRJJASA-N 0 3 350.466 3.194 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1OCCCC#N ZINC000367472709 499203283 /nfs/dbraw/zinc/20/32/83/499203283.db2.gz UAYIBHUHZQKNOY-GOSISDBHSA-N 0 3 368.481 3.491 20 30 FGEDHN N#Cc1cc(NC2CCN(Cc3cccs3)CC2)cc(N)c1[N+](=O)[O-] ZINC000367496328 499206014 /nfs/dbraw/zinc/20/60/14/499206014.db2.gz FHACPHIRZPRTSS-UHFFFAOYSA-N 0 3 357.439 3.187 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1F ZINC000367629246 499219447 /nfs/dbraw/zinc/21/94/47/499219447.db2.gz BTSPPNGDWXZYQR-JLTOFOAXSA-N 0 3 371.460 3.025 20 30 FGEDHN Cc1cccnc1OC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000368075319 499261613 /nfs/dbraw/zinc/26/16/13/499261613.db2.gz QCRUGGFFYUKAQV-UHFFFAOYSA-N 0 3 370.478 3.195 20 30 FGEDHN Cc1cc([C@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000371051608 499283963 /nfs/dbraw/zinc/28/39/63/499283963.db2.gz GKANSVVKJNKLAW-HNNXBMFYSA-N 0 3 371.872 3.451 20 30 FGEDHN Cc1cc([C@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]n1 ZINC000371051608 499283964 /nfs/dbraw/zinc/28/39/64/499283964.db2.gz GKANSVVKJNKLAW-HNNXBMFYSA-N 0 3 371.872 3.451 20 30 FGEDHN C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000371352035 499314115 /nfs/dbraw/zinc/31/41/15/499314115.db2.gz WPBFGGZJEYLZLD-KBXCAEBGSA-N 0 3 366.431 3.039 20 30 FGEDHN C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000371352036 499314186 /nfs/dbraw/zinc/31/41/86/499314186.db2.gz WPBFGGZJEYLZLD-KDOFPFPSSA-N 0 3 366.431 3.039 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](C(=O)Nc3nccs3)C2)cc1 ZINC000371396617 499320503 /nfs/dbraw/zinc/32/05/03/499320503.db2.gz RSYJKXAWEXTCJM-HOCLYGCPSA-N 0 3 370.478 3.285 20 30 FGEDHN C#CCN1CCC(C(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000371497099 499334709 /nfs/dbraw/zinc/33/47/09/499334709.db2.gz IYSIFPMHDDIHNH-SIKLNZKXSA-N 0 3 367.537 3.016 20 30 FGEDHN Cc1c(Cl)cnc(N(C)C2CCN(CCc3ccncc3)CC2)c1C#N ZINC000371689759 499355484 /nfs/dbraw/zinc/35/54/84/499355484.db2.gz RXWNANZJXANOEQ-UHFFFAOYSA-N 0 3 369.900 3.453 20 30 FGEDHN CCO[C@H]1C[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)C12CCCCC2 ZINC000573207457 506144049 /nfs/dbraw/zinc/14/40/49/506144049.db2.gz XVJINSVGTRAQMX-MSOLQXFVSA-N 0 3 353.470 3.161 20 30 FGEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(c2cccc3cnccc32)CC1 ZINC000369337788 499392621 /nfs/dbraw/zinc/39/26/21/499392621.db2.gz DUZDSDBSJDJKSU-MRXNPFEDSA-N 0 3 350.466 3.175 20 30 FGEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000369363379 499395713 /nfs/dbraw/zinc/39/57/13/499395713.db2.gz KXXBPTYSEWJDMT-HFTRVMKXSA-N 0 3 350.890 3.430 20 30 FGEDHN N#C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]12C(=O)Nc1ccccc12 ZINC000372225154 499410590 /nfs/dbraw/zinc/41/05/90/499410590.db2.gz DEBWGQTVLHUDCY-MWTRTKDXSA-N 0 3 369.424 3.391 20 30 FGEDHN N#C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]12C(=O)Nc1ccccc12 ZINC000372225154 499410591 /nfs/dbraw/zinc/41/05/91/499410591.db2.gz DEBWGQTVLHUDCY-MWTRTKDXSA-N 0 3 369.424 3.391 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Nc1ccc(F)cc1C#N ZINC000372279070 499416122 /nfs/dbraw/zinc/41/61/22/499416122.db2.gz WQZIBDNAGUIMRT-KXBFYZLASA-N 0 3 367.428 3.249 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000375261124 499500521 /nfs/dbraw/zinc/50/05/21/499500521.db2.gz WKPNPJHVEKJAQB-FPOVZHCZSA-N 0 3 374.488 3.136 20 30 FGEDHN C[C@H](N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(C#N)s1 ZINC000378470875 499521040 /nfs/dbraw/zinc/52/10/40/499521040.db2.gz IIQNDXAURFQEOC-JSGCOSHPSA-N 0 3 357.483 3.195 20 30 FGEDHN CC(C)N1CCN(CCCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000375594677 499536055 /nfs/dbraw/zinc/53/60/55/499536055.db2.gz BPZUMNFEABHFPK-FGZHOGPDSA-N 0 3 354.542 3.174 20 30 FGEDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C#N)CCN1Cc1ccccc1 ZINC000379679488 499542594 /nfs/dbraw/zinc/54/25/94/499542594.db2.gz JAGKXNFUDZFNJY-RHSMWYFYSA-N 0 3 351.410 3.326 20 30 FGEDHN CN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388135349 499550326 /nfs/dbraw/zinc/55/03/26/499550326.db2.gz CFNNKQNEGDCXEU-NRFANRHFSA-N 0 3 362.477 3.093 20 30 FGEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375783242 499555294 /nfs/dbraw/zinc/55/52/94/499555294.db2.gz QUVCOFXKSBELRR-DLBZAZTESA-N 0 3 351.491 3.076 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000375827468 499559681 /nfs/dbraw/zinc/55/96/81/499559681.db2.gz BEUPIGLASRXPRH-UHFFFAOYSA-N 0 3 365.481 3.286 20 30 FGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@H]1CCCN1C ZINC000573233781 506149842 /nfs/dbraw/zinc/14/98/42/506149842.db2.gz OZNIHOYTJUEEGK-HUUCEWRRSA-N 0 3 374.554 3.242 20 30 FGEDHN N#Cc1ccsc1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000375894450 499565731 /nfs/dbraw/zinc/56/57/31/499565731.db2.gz DXZXLRPAANOUIQ-FQEVSTJZSA-N 0 3 351.475 3.358 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2NCc2cccnc2OCC(F)F)O1 ZINC000376178977 499589100 /nfs/dbraw/zinc/58/91/00/499589100.db2.gz WDZVENAGZSIQFN-KLHDSHLOSA-N 0 3 351.397 3.055 20 30 FGEDHN Cc1nc2c(s1)CCC[C@H]2CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000376730021 499632422 /nfs/dbraw/zinc/63/24/22/499632422.db2.gz VJMHDZFSCIMQAD-DLBZAZTESA-N 0 3 364.474 3.242 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCCC12CCOCC2)C(C)C ZINC000410091261 499640780 /nfs/dbraw/zinc/64/07/80/499640780.db2.gz YXDQUSSSMFMJEL-OALUTQOASA-N 0 3 363.546 3.334 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](CO)c1ccccc1 ZINC000411230006 499714368 /nfs/dbraw/zinc/71/43/68/499714368.db2.gz VYIJGXPTDSPYDF-SFHVURJKSA-N 0 3 357.841 3.206 20 30 FGEDHN CCc1ccc([C@@H](CO)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000411514409 499749796 /nfs/dbraw/zinc/74/97/96/499749796.db2.gz XMAPVOZFRMQEPT-LJQANCHMSA-N 0 3 371.868 3.426 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1F ZINC000421344235 500021579 /nfs/dbraw/zinc/02/15/79/500021579.db2.gz OXIYOHKYYAPWIQ-KRWDZBQOSA-N 0 3 365.387 3.200 20 30 FGEDHN CCCn1ccnc1CCCN(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000429228026 500026691 /nfs/dbraw/zinc/02/66/91/500026691.db2.gz QCJSNCIYSONPKT-UHFFFAOYSA-N 0 3 364.453 3.279 20 30 FGEDHN COc1ccc([C@H](CNc2c(C#N)cccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000425204604 500044275 /nfs/dbraw/zinc/04/42/75/500044275.db2.gz UFVBILNDRVQQIM-INIZCTEOSA-N 0 3 370.409 3.198 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000416641760 500077429 /nfs/dbraw/zinc/07/74/29/500077429.db2.gz ZFVQGYMSHCHCOO-LJQANCHMSA-N 0 3 358.507 3.214 20 30 FGEDHN N#CC1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC1 ZINC000416783352 500119308 /nfs/dbraw/zinc/11/93/08/500119308.db2.gz ZZZJLNDPKUYROK-UHFFFAOYSA-N 0 3 358.511 3.093 20 30 FGEDHN COc1cccc(OC)c1OC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539692 500138690 /nfs/dbraw/zinc/13/86/90/500138690.db2.gz UGSAMTVIGJTUSK-YJBOKZPZSA-N 0 3 370.449 3.008 20 30 FGEDHN C=CCC[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccc(C(F)(F)F)cc1 ZINC000417942628 500201803 /nfs/dbraw/zinc/20/18/03/500201803.db2.gz SYPHCYOIJLECFK-CVEARBPZSA-N 0 3 371.403 3.000 20 30 FGEDHN CN(CC1(O)CCCCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000426211593 500248375 /nfs/dbraw/zinc/24/83/75/500248375.db2.gz CQDXCLSSFBZWSN-LJQANCHMSA-N 0 3 355.482 3.071 20 30 FGEDHN CN(CC1(O)CCCCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000426211592 500248448 /nfs/dbraw/zinc/24/84/48/500248448.db2.gz CQDXCLSSFBZWSN-IBGZPJMESA-N 0 3 355.482 3.071 20 30 FGEDHN O=C(CN1CC[C@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426461817 500274734 /nfs/dbraw/zinc/27/47/34/500274734.db2.gz PNGAXBXJGSLVTG-NVXWUHKLSA-N 0 3 350.384 3.048 20 30 FGEDHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423033340 500332940 /nfs/dbraw/zinc/33/29/40/500332940.db2.gz OIUCQWRUUWEKHI-IPHXSNPTSA-N 0 3 363.461 3.169 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)NCC2(C#N)CCC2)N(C)C)cc1 ZINC000419518195 500373974 /nfs/dbraw/zinc/37/39/74/500373974.db2.gz YGOCACIYCKLZMK-SFHVURJKSA-N 0 3 358.486 3.070 20 30 FGEDHN C=CC[C@H](C(=O)N1CC[C@@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000427772215 500430172 /nfs/dbraw/zinc/43/01/72/500430172.db2.gz DDFSCGHPHQQJKR-RTWAWAEBSA-N 0 3 356.510 3.450 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000573440905 506194992 /nfs/dbraw/zinc/19/49/92/506194992.db2.gz HKNQMFRDSLYPHQ-OCBCSQNSSA-N 0 3 373.478 3.025 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000424067010 500446639 /nfs/dbraw/zinc/44/66/39/500446639.db2.gz VCJNGSBXJKDPKN-AWEZNQCLSA-N 0 3 366.252 3.198 20 30 FGEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Sc1ccc(Br)cc1 ZINC000424142353 500459459 /nfs/dbraw/zinc/45/94/59/500459459.db2.gz PNTSVFIYJZNUNJ-FZMZJTMJSA-N 0 3 370.316 3.067 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000582380063 506199106 /nfs/dbraw/zinc/19/91/06/506199106.db2.gz MUQZLZWMMBZXPO-UTKZUKDTSA-N 0 3 359.473 3.369 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2cccc(Br)c2)s1 ZINC000428537261 500522302 /nfs/dbraw/zinc/52/23/02/500522302.db2.gz NIPFHNXUZZZYDL-CYBMUJFWSA-N 0 3 365.296 3.323 20 30 FGEDHN CN1CCC(Nc2ccccc2NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000432494350 500522998 /nfs/dbraw/zinc/52/29/98/500522998.db2.gz FCDKGWMJXRIXSP-UHFFFAOYSA-N 0 3 369.856 3.365 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)OCC ZINC000573478527 506201144 /nfs/dbraw/zinc/20/11/44/506201144.db2.gz PRKIXLFYMCPCHK-MSOLQXFVSA-N 0 3 350.528 3.499 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@H]1CCCN1C ZINC000421016511 500554833 /nfs/dbraw/zinc/55/48/33/500554833.db2.gz YFAOCCFCWBBGSG-HZPDHXFCSA-N 0 3 360.527 3.045 20 30 FGEDHN CCCOc1ccc(OCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770888 500555550 /nfs/dbraw/zinc/55/55/50/500555550.db2.gz GXSBQWWEFIZDIB-FQEVSTJZSA-N 0 3 367.449 3.274 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](C)C1(OC)CCOCC1 ZINC000421024713 500557815 /nfs/dbraw/zinc/55/78/15/500557815.db2.gz CQWXMEZZPSSQLK-HNNXBMFYSA-N 0 3 364.511 3.077 20 30 FGEDHN CS(=O)(=O)c1ccc(OCCN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433012639 500606132 /nfs/dbraw/zinc/60/61/32/500606132.db2.gz UILREOIFLLUILS-FQEVSTJZSA-N 0 3 372.490 3.494 20 30 FGEDHN COC(=O)c1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433013519 500606995 /nfs/dbraw/zinc/60/69/95/500606995.db2.gz XTERBTCSOHJODF-LJQANCHMSA-N 0 3 365.433 3.436 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N1CCN([C@@H](C)c2cccc(C#N)c2)CC(O)C1 ZINC000442672037 500609988 /nfs/dbraw/zinc/60/99/88/500609988.db2.gz HWZVOQWOLWGGLW-ROUUACIJSA-N 0 3 374.488 3.231 20 30 FGEDHN CC[C@@H](N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447576464 500628120 /nfs/dbraw/zinc/62/81/20/500628120.db2.gz YNWOPDLNRPQRIC-TZIWHRDSSA-N 0 3 363.461 3.279 20 30 FGEDHN COc1cccc(N2CCN(C(=O)C(C#N)CCc3ccccc3)CC2)c1 ZINC000433110344 500628269 /nfs/dbraw/zinc/62/82/69/500628269.db2.gz OXVFHLXOEZRPLA-LJQANCHMSA-N 0 3 363.461 3.116 20 30 FGEDHN CCN(CC)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000433309647 500668667 /nfs/dbraw/zinc/66/86/67/500668667.db2.gz BVPAYUDBFQSXSJ-LJQANCHMSA-N 0 3 350.466 3.317 20 30 FGEDHN CCCCNC(=O)C1(NC(=O)C(C#N)CCc2ccccc2)CCCCC1 ZINC000433356188 500679968 /nfs/dbraw/zinc/67/99/68/500679968.db2.gz RJBUAKWVVZYHAI-LJQANCHMSA-N 0 3 369.509 3.494 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000433375564 500684676 /nfs/dbraw/zinc/68/46/76/500684676.db2.gz XYWAIRRZXQGLPE-QGZVFWFLSA-N 0 3 369.415 3.386 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000437981231 500724528 /nfs/dbraw/zinc/72/45/28/500724528.db2.gz BSLAGZVIXGWALI-LEWJYISDSA-N 0 3 373.541 3.174 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000438451072 500787162 /nfs/dbraw/zinc/78/71/62/500787162.db2.gz GSJDEKWJXFMUSI-ACRUOGEOSA-N 0 3 371.525 3.274 20 30 FGEDHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)ccc1C#N ZINC000443989805 500788110 /nfs/dbraw/zinc/78/81/10/500788110.db2.gz RNKNRBIRBQNGDO-IAGOWNOFSA-N 0 3 350.466 3.165 20 30 FGEDHN Cc1cc(CNc2ccccc2CN2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000444002428 500790101 /nfs/dbraw/zinc/79/01/01/500790101.db2.gz FTXMQJHZKNKYED-FQEVSTJZSA-N 0 3 362.477 3.176 20 30 FGEDHN C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)N1[C@H](C)CC[C@H]1C ZINC000444525226 500855516 /nfs/dbraw/zinc/85/55/16/500855516.db2.gz LAYQKDNJOXETRA-OAGGEKHMSA-N 0 3 374.916 3.122 20 30 FGEDHN CCOCC[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000444640862 500872103 /nfs/dbraw/zinc/87/21/03/500872103.db2.gz QABGQNBMQJEIGV-OAQYLSRUSA-N 0 3 356.441 3.487 20 30 FGEDHN CC(C)N1CCN(C2CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439447181 500897969 /nfs/dbraw/zinc/89/79/69/500897969.db2.gz FRZNUUNNYIUVFQ-UHFFFAOYSA-N 0 3 360.933 3.202 20 30 FGEDHN N#Cc1cccc(C2(C(=O)N3CCN(CC4CCCCC4)CC3)CC2)c1 ZINC000435001523 500920719 /nfs/dbraw/zinc/92/07/19/500920719.db2.gz XPLAVVHRJRIWRE-UHFFFAOYSA-N 0 3 351.494 3.314 20 30 FGEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000435265107 500949644 /nfs/dbraw/zinc/94/96/44/500949644.db2.gz YWWZSVKAWZEHRX-NRFANRHFSA-N 0 3 359.473 3.323 20 30 FGEDHN CC1(C#N)CCC(N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000449294988 500969344 /nfs/dbraw/zinc/96/93/44/500969344.db2.gz OQPHVAHSFSQSHZ-BBBYJDLNSA-N 0 3 350.260 3.038 20 30 FGEDHN N#CCC1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000611619697 506231801 /nfs/dbraw/zinc/23/18/01/506231801.db2.gz UPZAWWJCRGZAEP-HXUWFJFHSA-N 0 3 354.498 3.234 20 30 FGEDHN C=CCC[C@@H](CO)NCc1cc(Br)c(OC)c(OCC)c1 ZINC000449699507 501064969 /nfs/dbraw/zinc/06/49/69/501064969.db2.gz PYVDWXDOTRSMSI-ZDUSSCGKSA-N 0 3 358.276 3.273 20 30 FGEDHN CCO[C@@H]1C[C@H](N[C@@H](C)CC2(C#N)CCOCC2)[C@H]1Oc1ccccc1 ZINC000602622466 506235028 /nfs/dbraw/zinc/23/50/28/506235028.db2.gz UQVQZFLKIJGZMZ-IJXRJRJASA-N 0 3 358.482 3.300 20 30 FGEDHN CC(C)(C)OC(=O)[C@@H](CNCc1cnc2ccc(C#N)cn12)C1CCC1 ZINC000596062146 506235293 /nfs/dbraw/zinc/23/52/93/506235293.db2.gz FMDDSONSIBNLMM-KRWDZBQOSA-N 0 3 354.454 3.054 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(CC)nc3ccccc32)CC1 ZINC000436497156 501140037 /nfs/dbraw/zinc/14/00/37/501140037.db2.gz KYFQNKDOTVRBEE-UHFFFAOYSA-N 0 3 352.482 3.381 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)CCCCC1 ZINC000450131883 501190288 /nfs/dbraw/zinc/19/02/88/501190288.db2.gz GZDAPGRDXRGHSU-GOSISDBHSA-N 0 3 360.498 3.453 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCCN1C ZINC000442065788 501194599 /nfs/dbraw/zinc/19/45/99/501194599.db2.gz WQASNWQKOIDVJZ-ZWNOBZJWSA-N 0 3 356.348 3.061 20 30 FGEDHN C=CCC1(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CCCCC1 ZINC000450175168 501200537 /nfs/dbraw/zinc/20/05/37/501200537.db2.gz VUWRUSZPGOYBDX-HXUWFJFHSA-N 0 3 356.510 3.048 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000447079636 501202418 /nfs/dbraw/zinc/20/24/18/501202418.db2.gz QBSQFHOYXULMLK-INWMFGNUSA-N 0 3 362.271 3.226 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000455271718 501259999 /nfs/dbraw/zinc/25/99/99/501259999.db2.gz JBSNVQJWPHPCOA-HBFSDRIKSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCOC2(CCC2)C1)C(C)C ZINC000455361316 501281720 /nfs/dbraw/zinc/28/17/20/501281720.db2.gz UZZQKDSFGSCFMW-RBUKOAKNSA-N 0 3 363.546 3.334 20 30 FGEDHN C=CC(C)(C)CNC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000455399413 501292450 /nfs/dbraw/zinc/29/24/50/501292450.db2.gz JRGJAGMHOHFUFQ-UHFFFAOYSA-N 0 3 372.513 3.121 20 30 FGEDHN C[C@H]1[C@H](O)CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451451220 501295312 /nfs/dbraw/zinc/29/53/12/501295312.db2.gz CKJZBTCHCZYJFH-XJKSGUPXSA-N 0 3 361.511 3.062 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000455416683 501296578 /nfs/dbraw/zinc/29/65/78/501296578.db2.gz DCDBZEAFJFUQSZ-RLLQIKCJSA-N 0 3 357.498 3.026 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H]1CCC12CCCC2 ZINC000451460349 501297029 /nfs/dbraw/zinc/29/70/29/501297029.db2.gz ROXJGTWBAGYLIG-SFHVURJKSA-N 0 3 372.513 3.264 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000453383809 501322916 /nfs/dbraw/zinc/32/29/16/501322916.db2.gz MRESHRZUPJJXEV-CYBMUJFWSA-N 0 3 361.442 3.310 20 30 FGEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000453423277 501328662 /nfs/dbraw/zinc/32/86/62/501328662.db2.gz CSCLTEMOXIMULX-SFHVURJKSA-N 0 3 359.518 3.018 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000455547726 501331069 /nfs/dbraw/zinc/33/10/69/501331069.db2.gz RZLLOCPUFURANU-HNAYVOBHSA-N 0 3 366.440 3.160 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000451611074 501336341 /nfs/dbraw/zinc/33/63/41/501336341.db2.gz WCAYMBAVHNIAOL-ZACQAIPSSA-N 0 3 368.399 3.130 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000451610163 501336577 /nfs/dbraw/zinc/33/65/77/501336577.db2.gz XPOZGTCDIFQXGY-SJORKVTESA-N 0 3 360.841 3.149 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000453465952 501339861 /nfs/dbraw/zinc/33/98/61/501339861.db2.gz NRBIUCOLGDTKIJ-MSOLQXFVSA-N 0 3 359.518 3.160 20 30 FGEDHN N#Cc1ccc(CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000596091870 506252915 /nfs/dbraw/zinc/25/29/15/506252915.db2.gz GGCURJAIJDIJLW-SFHVURJKSA-N 0 3 368.506 3.299 20 30 FGEDHN CCN(CC)Cc1cccc(NC(=O)C(=O)Nc2cccc(CC#N)c2)c1 ZINC000454045516 501449565 /nfs/dbraw/zinc/44/95/65/501449565.db2.gz UMEWGAIZHLYGDY-UHFFFAOYSA-N 0 3 364.449 3.172 20 30 FGEDHN COc1ccc2c(c1)CN(C(=O)C(C#N)CCc1ccccc1)CCO2 ZINC000456192915 501472193 /nfs/dbraw/zinc/47/21/93/501472193.db2.gz SJYIJYUFSCTNIL-KRWDZBQOSA-N 0 3 350.418 3.189 20 30 FGEDHN COc1cc2c(cc1OC)[C@H](N1CC[C@H](Oc3ccc(C#N)cn3)C1)CC2 ZINC000602673490 506256127 /nfs/dbraw/zinc/25/61/27/506256127.db2.gz UWKAZEXPYNJSOD-FUHWJXTLSA-N 0 3 365.433 3.111 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000458751207 501521964 /nfs/dbraw/zinc/52/19/64/501521964.db2.gz BXAOGKWRNLNVEW-SUMWQHHRSA-N 0 3 358.417 3.219 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000456427088 501523843 /nfs/dbraw/zinc/52/38/43/501523843.db2.gz KRAUTZBNGUGIBX-GOEBONIOSA-N 0 3 369.346 3.462 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(Cl)c(OC)c2)CC1 ZINC000454471876 501553620 /nfs/dbraw/zinc/55/36/20/501553620.db2.gz ZYLUDKLIPIPILZ-UHFFFAOYSA-N 0 3 365.905 3.231 20 30 FGEDHN C=C(C)CN(CC)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000459045393 501582058 /nfs/dbraw/zinc/58/20/58/501582058.db2.gz KLXMAQWGNDSABE-UHFFFAOYSA-N 0 3 372.513 3.217 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598987606 506264056 /nfs/dbraw/zinc/26/40/56/506264056.db2.gz KEFOSFRJSQTWAQ-IAGOWNOFSA-N 0 3 354.498 3.083 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cnc(C4CC4)nc3)C2)c(F)c1 ZINC000459396775 501646093 /nfs/dbraw/zinc/64/60/93/501646093.db2.gz FVVDNDCPASPPGM-KRWDZBQOSA-N 0 3 351.429 3.123 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000457199218 501664357 /nfs/dbraw/zinc/66/43/57/501664357.db2.gz BYINTKSSFWVACN-UHFFFAOYSA-N 0 3 351.450 3.207 20 30 FGEDHN CN(C)CC(C)(C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000457213117 501666293 /nfs/dbraw/zinc/66/62/93/501666293.db2.gz UTXFIGAWSIDEKI-UHFFFAOYSA-N 0 3 351.450 3.207 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NCCc3cccc(Cl)c3)C2=O)cc1 ZINC000459537132 501672476 /nfs/dbraw/zinc/67/24/76/501672476.db2.gz ZIWLRSBIIYLEMT-IBGZPJMESA-N 0 3 353.853 3.145 20 30 FGEDHN Cc1nsc(NC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)c1C#N ZINC000459574284 501679491 /nfs/dbraw/zinc/67/94/91/501679491.db2.gz XPZDCZAKFCVMPL-QGZVFWFLSA-N 0 3 369.494 3.355 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000459774366 501712083 /nfs/dbraw/zinc/71/20/83/501712083.db2.gz JAEOTVHUXINYJZ-AYBZRNKSSA-N 0 3 366.465 3.335 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000457518193 501715373 /nfs/dbraw/zinc/71/53/73/501715373.db2.gz QMHCBXPOBYIJHB-WDSOQIARSA-N 0 3 362.539 3.448 20 30 FGEDHN CN(CCOc1cccc(Cl)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470757088 501792620 /nfs/dbraw/zinc/79/26/20/501792620.db2.gz RBADWIAARMCSDS-QGZVFWFLSA-N 0 3 367.836 3.431 20 30 FGEDHN COC(=O)[C@@]1(C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000602725261 506274200 /nfs/dbraw/zinc/27/42/00/506274200.db2.gz NZVHAUSNZIFGQP-KKSFZXQISA-N 0 3 366.465 3.095 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000470819163 501815115 /nfs/dbraw/zinc/81/51/15/501815115.db2.gz FPBSDROWGRCYFE-FQEVSTJZSA-N 0 3 373.456 3.105 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000470829718 501821291 /nfs/dbraw/zinc/82/12/91/501821291.db2.gz FHMMKIKCPXTQLT-VQIMIIECSA-N 0 3 363.392 3.410 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000481588775 501824056 /nfs/dbraw/zinc/82/40/56/501824056.db2.gz PIECTDSRPNPXPW-UHFFFAOYSA-N 0 3 354.425 3.146 20 30 FGEDHN COCC1(C2CC2)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000602730360 506276210 /nfs/dbraw/zinc/27/62/10/506276210.db2.gz BEOWIMCISLFFSR-UHFFFAOYSA-N 0 3 350.466 3.322 20 30 FGEDHN CCO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(CC)CC ZINC000470976740 501880226 /nfs/dbraw/zinc/88/02/26/501880226.db2.gz TUWVPLOPUBGRFM-CEXWTWQISA-N 0 3 353.466 3.341 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1)c1ccccc1 ZINC000481807129 501889454 /nfs/dbraw/zinc/88/94/54/501889454.db2.gz OEEZKSKZLBCTLX-NSHGMRRFSA-N 0 3 371.525 3.047 20 30 FGEDHN C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000460789046 501921034 /nfs/dbraw/zinc/92/10/34/501921034.db2.gz ITBQNKVWMIINES-LJQANCHMSA-N 0 3 351.498 3.442 20 30 FGEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)NCc1cccs1 ZINC000592866782 506281924 /nfs/dbraw/zinc/28/19/24/506281924.db2.gz IEQOBJNCSKAKOJ-SJLPKXTDSA-N 0 3 369.490 3.032 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460802527 501924497 /nfs/dbraw/zinc/92/44/97/501924497.db2.gz CDCABYJIFMPVEK-IAGOWNOFSA-N 0 3 364.497 3.312 20 30 FGEDHN CCOC(=O)c1coc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000474704573 501927605 /nfs/dbraw/zinc/92/76/05/501927605.db2.gz BWBYRPXXOKZWJA-INIZCTEOSA-N 0 3 371.412 3.226 20 30 FGEDHN C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2CN(C)C)cc1 ZINC000485767645 501929875 /nfs/dbraw/zinc/92/98/75/501929875.db2.gz FKRCRXCAKNABAO-UHFFFAOYSA-N 0 3 352.438 3.308 20 30 FGEDHN CO[C@@]1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CCOC1 ZINC000461419255 502106841 /nfs/dbraw/zinc/10/68/41/502106841.db2.gz UIHHDFQHZKUWQO-OAQYLSRUSA-N 0 3 352.434 3.032 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000461449765 502119393 /nfs/dbraw/zinc/11/93/93/502119393.db2.gz YSTUVWBFNNNULO-NHCUHLMSSA-N 0 3 359.473 3.461 20 30 FGEDHN N#Cc1cccc(OCCN2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000482904382 502212969 /nfs/dbraw/zinc/21/29/69/502212969.db2.gz MEYCPFZWNMBNPW-LJQANCHMSA-N 0 3 363.461 3.079 20 30 FGEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468879090 502216299 /nfs/dbraw/zinc/21/62/99/502216299.db2.gz GMVBDPHHTFDTQN-LSDHHAIUSA-N 0 3 352.438 3.063 20 30 FGEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468924443 502231190 /nfs/dbraw/zinc/23/11/90/502231190.db2.gz JXCOZDFYPDBIQX-BZUAXINKSA-N 0 3 366.465 3.309 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2cccn2)c1 ZINC000465413180 502255633 /nfs/dbraw/zinc/25/56/33/502255633.db2.gz RSFXTGKXRHYPDE-IIBYNOLFSA-N 0 3 371.444 3.200 20 30 FGEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCCCC2 ZINC000472198715 502267305 /nfs/dbraw/zinc/26/73/05/502267305.db2.gz BXNCLWUOGFMLTN-VAMGGRTRSA-N 0 3 365.477 3.485 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)N(CCC#N)CC(C)(C)C)CC2)c1 ZINC000462017155 502275551 /nfs/dbraw/zinc/27/55/51/502275551.db2.gz PNIJCAWVQIACKT-UHFFFAOYSA-N 0 3 370.541 3.296 20 30 FGEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000486865763 502287840 /nfs/dbraw/zinc/28/78/40/502287840.db2.gz BIHPZEFPDWVVEE-OALUTQOASA-N 0 3 354.454 3.205 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCC1 ZINC000469123748 502306650 /nfs/dbraw/zinc/30/66/50/502306650.db2.gz WXRBZMBQCSBMDY-CHWSQXEVSA-N 0 3 369.387 3.229 20 30 FGEDHN CN1CCC[C@H](CNC(=O)NCC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000465565151 502309776 /nfs/dbraw/zinc/30/97/76/502309776.db2.gz JIYDLEPLCTYFSR-QUCCMNQESA-N 0 3 367.518 3.482 20 30 FGEDHN CC[C@H](C)[C@@H](NC(=O)C(C)C#N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000469201775 502335044 /nfs/dbraw/zinc/33/50/44/502335044.db2.gz KPROWYOEHKFUIU-ABSDTBQOSA-N 0 3 369.509 3.158 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(F)(F)F)nc2OCC)CC1 ZINC000469377341 502391885 /nfs/dbraw/zinc/39/18/85/502391885.db2.gz PPALCBXBMSBAIZ-UHFFFAOYSA-N 0 3 371.403 3.269 20 30 FGEDHN C=C(C)CN1CCC(Nc2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000479992437 502439294 /nfs/dbraw/zinc/43/92/94/502439294.db2.gz OBVARCKOBXTRMI-UHFFFAOYSA-N 0 3 363.509 3.358 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000483765608 502486420 /nfs/dbraw/zinc/48/64/20/502486420.db2.gz RLTPYGDDGKDSBV-MSOLQXFVSA-N 0 3 351.535 3.310 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000476569080 502529086 /nfs/dbraw/zinc/52/90/86/502529086.db2.gz PZIBKOICTDCKRN-HXUWFJFHSA-N 0 3 367.493 3.224 20 30 FGEDHN Cc1cc(N2CCN(CCCF)CC2)n2c3ccccc3nc2c1C#N ZINC000599091492 506319949 /nfs/dbraw/zinc/31/99/49/506319949.db2.gz AGGKUUFWWVWLAD-UHFFFAOYSA-N 0 3 351.429 3.149 20 30 FGEDHN CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1C ZINC000487963781 502582167 /nfs/dbraw/zinc/58/21/67/502582167.db2.gz NDMLGSCUAMCZQY-AEFFLSMTSA-N 0 3 374.554 3.291 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(CC(OCC)C2)C1)C(C)C ZINC000480544835 502598165 /nfs/dbraw/zinc/59/81/65/502598165.db2.gz YNNFETHNOKLQRA-OBXNSHGQSA-N 0 3 363.546 3.286 20 30 FGEDHN Cc1cc(NCCN2CCSCC2)n2c3ccccc3nc2c1C#N ZINC000488184052 502650380 /nfs/dbraw/zinc/65/03/80/502650380.db2.gz RZICVHYQIJDTNL-UHFFFAOYSA-N 0 3 351.479 3.128 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000463027066 502664792 /nfs/dbraw/zinc/66/47/92/502664792.db2.gz DXZGGZSUNPGKKT-QGZVFWFLSA-N 0 3 367.424 3.403 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@](F)(C#N)C2)N(C)C)cc1 ZINC000588756921 506327376 /nfs/dbraw/zinc/32/73/76/506327376.db2.gz YHTQTJANNRBOOZ-QUCCMNQESA-N 0 3 360.477 3.135 20 30 FGEDHN CN(C)CCOCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000473680906 502676241 /nfs/dbraw/zinc/67/62/41/502676241.db2.gz WCOKIYIYJWMOIJ-UHFFFAOYSA-N 0 3 368.437 3.050 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCn3c(cc4ccccc43)C2)CC1 ZINC000463340352 502763949 /nfs/dbraw/zinc/76/39/49/502763949.db2.gz NJWADQBKXGZLHL-UHFFFAOYSA-N 0 3 352.482 3.207 20 30 FGEDHN CCSCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000467029875 502764066 /nfs/dbraw/zinc/76/40/66/502764066.db2.gz BMFDVLMULUABOR-MRXNPFEDSA-N 0 3 362.543 3.163 20 30 FGEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000481146695 502765111 /nfs/dbraw/zinc/76/51/11/502765111.db2.gz XQECWPYPYOQYEU-BRWVUGGUSA-N 0 3 357.498 3.198 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000467036433 502766673 /nfs/dbraw/zinc/76/66/73/502766673.db2.gz SCSUTWPRAJEBQP-LRDDRELGSA-N 0 3 368.399 3.483 20 30 FGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000500617062 502827201 /nfs/dbraw/zinc/82/72/01/502827201.db2.gz KOFZTYNSNYCPSK-BBWFWOEESA-N 0 3 359.539 3.274 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593014625 506337064 /nfs/dbraw/zinc/33/70/64/506337064.db2.gz ATMVWXMGERUJFQ-IBGZPJMESA-N 0 3 350.422 3.173 20 30 FGEDHN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc(C#N)c(C)c2)s1 ZINC000513049971 502839856 /nfs/dbraw/zinc/83/98/56/502839856.db2.gz CLIKKZLKXGVZLA-QWHCGFSZSA-N 0 3 357.483 3.034 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(C#N)c1C ZINC000513054359 502840527 /nfs/dbraw/zinc/84/05/27/502840527.db2.gz LUAQSRGOAUELAQ-FQEVSTJZSA-N 0 3 362.477 3.388 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000489326471 502930042 /nfs/dbraw/zinc/93/00/42/502930042.db2.gz IXWBCDITRCPXFO-LJQANCHMSA-N 0 3 370.541 3.209 20 30 FGEDHN COc1cc(NC(=O)C(C#N)c2nc(C)c(C)s2)cc(OC)c1OC ZINC000505770893 502982930 /nfs/dbraw/zinc/98/29/30/502982930.db2.gz IWWKTIAOLCYCFA-LBPRGKRZSA-N 0 3 361.423 3.032 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000509837528 502995278 /nfs/dbraw/zinc/99/52/78/502995278.db2.gz GUBYDYRDTHHLFY-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)Nc3ccc(F)cc3)CC2)nc1 ZINC000602907057 506345795 /nfs/dbraw/zinc/34/57/95/506345795.db2.gz KYZLRFWCHUGIBR-UHFFFAOYSA-N 0 3 352.413 3.301 20 30 FGEDHN N#Cc1ccc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000602910041 506348574 /nfs/dbraw/zinc/34/85/74/506348574.db2.gz CIBGQIKIXFLYJV-UHFFFAOYSA-N 0 3 352.394 3.120 20 30 FGEDHN C=CCNC(=O)CN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000513959250 503055445 /nfs/dbraw/zinc/05/54/45/503055445.db2.gz INQHWTXTKLJPBY-XYJFISCASA-N 0 3 358.482 3.344 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nc2c(cccc2C)[nH]1)C(C)C ZINC000497951458 503073767 /nfs/dbraw/zinc/07/37/67/503073767.db2.gz QJKKEHZLFRUFFX-GOSISDBHSA-N 0 3 369.513 3.369 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000497951458 503073769 /nfs/dbraw/zinc/07/37/69/503073769.db2.gz QJKKEHZLFRUFFX-GOSISDBHSA-N 0 3 369.513 3.369 20 30 FGEDHN Cc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000506335871 503096590 /nfs/dbraw/zinc/09/65/90/503096590.db2.gz AGABGLHHDOPMPX-HOTGVXAUSA-N 0 3 365.481 3.045 20 30 FGEDHN C[C@H](C#N)CN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000514232221 503120778 /nfs/dbraw/zinc/12/07/78/503120778.db2.gz IXHMWECVAFTFDN-MSOLQXFVSA-N 0 3 353.510 3.480 20 30 FGEDHN CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCc2ccccc2C1 ZINC000514540916 503135859 /nfs/dbraw/zinc/13/58/59/503135859.db2.gz BYQXKBFKGUJDDY-IBGZPJMESA-N 0 3 365.437 3.356 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ncc(C#N)cc1Cl)N(C)C ZINC000510545291 503140009 /nfs/dbraw/zinc/14/00/09/503140009.db2.gz KLXIXLZTUJYYCT-SCLBCKFNSA-N 0 3 356.857 3.336 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@H](C)N2CCC[C@H](C)C2)c(OC)c1 ZINC000498353387 503165176 /nfs/dbraw/zinc/16/51/76/503165176.db2.gz LYPWMWVZZWYTGZ-IRXDYDNUSA-N 0 3 360.498 3.039 20 30 FGEDHN N#CCCC1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000514790557 503193377 /nfs/dbraw/zinc/19/33/77/503193377.db2.gz AGDNANJEQCMDSZ-UHFFFAOYSA-N 0 3 355.482 3.204 20 30 FGEDHN Cc1ccc(C(=O)NC2CCN(CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000602932709 506357963 /nfs/dbraw/zinc/35/79/63/506357963.db2.gz XPPGJNOEHJFIPO-UHFFFAOYSA-N 0 3 369.509 3.290 20 30 FGEDHN N#Cc1ccc(C2=CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000502506302 503212633 /nfs/dbraw/zinc/21/26/33/503212633.db2.gz GVQXCAMXGGAMFS-UHFFFAOYSA-N 0 3 371.440 3.334 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H](c2cc(C)ccn2)C1 ZINC000582674888 506359203 /nfs/dbraw/zinc/35/92/03/506359203.db2.gz RJPUHMIIEMJJKH-UXHICEINSA-N 0 3 352.478 3.348 20 30 FGEDHN Cc1ccc(C)n1C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000507327862 503278410 /nfs/dbraw/zinc/27/84/10/503278410.db2.gz WBXICSGWJOLWRO-FQEVSTJZSA-N 0 3 353.466 3.053 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000498922844 503294196 /nfs/dbraw/zinc/29/41/96/503294196.db2.gz FEUWHWSGGYJHRT-ULQDDVLXSA-N 0 3 374.554 3.434 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1C ZINC000498931166 503297053 /nfs/dbraw/zinc/29/70/53/503297053.db2.gz YGOPMJWMWKLJES-ZACQAIPSSA-N 0 3 374.554 3.291 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)c2cccc(C#N)c2C)c1 ZINC000511330839 503301594 /nfs/dbraw/zinc/30/15/94/503301594.db2.gz BDQAOFGZFXBVET-UHFFFAOYSA-N 0 3 351.450 3.079 20 30 FGEDHN CC(C)[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000515415098 503334249 /nfs/dbraw/zinc/33/42/49/503334249.db2.gz OXVCJAVIKUMGCP-UZLBHIALSA-N 0 3 364.449 3.161 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@H](C)N2CCC(C)CC2)c(OC)c1 ZINC000499142503 503343423 /nfs/dbraw/zinc/34/34/23/503343423.db2.gz RJVZLZYWYTUVPF-KRWDZBQOSA-N 0 3 360.498 3.039 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000515475101 503346606 /nfs/dbraw/zinc/34/66/06/503346606.db2.gz HJXVAWWUNFWYGV-SFHVURJKSA-N 0 3 356.429 3.487 20 30 FGEDHN Cn1cc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000499253442 503366124 /nfs/dbraw/zinc/36/61/24/503366124.db2.gz HYYHNVCNDXKPEK-RTBURBONSA-N 0 3 352.482 3.188 20 30 FGEDHN CC1(C)C[C@H](NC[C@H](O)COc2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000515832176 503408726 /nfs/dbraw/zinc/40/87/26/503408726.db2.gz MRNWWEJDGXCVOY-LPHOPBHVSA-N 0 3 370.424 3.329 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H]2CCC[C@@H]2OCc2ccccc2)c(C#N)c1C ZINC000503517622 503426701 /nfs/dbraw/zinc/42/67/01/503426701.db2.gz RYDIPFHWSXCPTM-OALUTQOASA-N 0 3 367.449 3.434 20 30 FGEDHN Cc1nn2c(nc(C(C)C)c2CNCCOc2ccc(C#N)cc2)s1 ZINC000499695439 503459590 /nfs/dbraw/zinc/45/95/90/503459590.db2.gz FIOWKYHNVJBGJO-UHFFFAOYSA-N 0 3 355.467 3.263 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccco1 ZINC000516334868 503496733 /nfs/dbraw/zinc/49/67/33/503496733.db2.gz RUTYAGLXWYVEBK-RLFYNMQTSA-N 0 3 355.438 3.164 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(-n4ccnc4)cc3)C2=O)cc1 ZINC000503957837 503498625 /nfs/dbraw/zinc/49/86/25/503498625.db2.gz ARZBHJXKYGPKKE-NRFANRHFSA-N 0 3 371.444 3.029 20 30 FGEDHN Cc1cc(NC(=O)c2cc(C#N)ccn2)cc(N2CCN(C(C)C)CC2)c1 ZINC000508477253 503502155 /nfs/dbraw/zinc/50/21/55/503502155.db2.gz NBZJSBMYNAHNEC-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CC)CC1 ZINC000516514618 503525428 /nfs/dbraw/zinc/52/54/28/503525428.db2.gz BMEBHFZKLKXCAW-UHFFFAOYSA-N 0 3 363.868 3.456 20 30 FGEDHN Cc1cc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)ccc1C#N ZINC000512479594 503566632 /nfs/dbraw/zinc/56/66/32/503566632.db2.gz HPNWCEABCPGYCV-XMMPIXPASA-N 0 3 374.532 3.259 20 30 FGEDHN C=C(C)CN(CCCN1CCN(C(C)C)CC1)Cc1cnn(C(C)C)c1 ZINC000512527570 503577316 /nfs/dbraw/zinc/57/73/16/503577316.db2.gz USZPAPIHNYYSDC-UHFFFAOYSA-N 0 3 361.578 3.258 20 30 FGEDHN CC[C@@H](CC#N)NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000512548258 503581214 /nfs/dbraw/zinc/58/12/14/503581214.db2.gz ZVXWAQUBRWSLFC-GTPINHCMSA-N 0 3 363.889 3.428 20 30 FGEDHN C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508935726 503603964 /nfs/dbraw/zinc/60/39/64/503603964.db2.gz ONDMTZBVGJZXCR-UHFFFAOYSA-N 0 3 355.486 3.487 20 30 FGEDHN CCc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(C#N)cc3F)C2)ncn1 ZINC000512665940 503606956 /nfs/dbraw/zinc/60/69/56/503606956.db2.gz IEAPBYDGHXCIBT-WMLDXEAASA-N 0 3 353.445 3.369 20 30 FGEDHN C=C(C)[C@H](CC(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1)OCC ZINC000500408291 503617470 /nfs/dbraw/zinc/61/74/70/503617470.db2.gz JJCSVWSOJWCVQR-PMACEKPBSA-N 0 3 360.498 3.320 20 30 FGEDHN C=CCOc1ccccc1CNCCCN1C(=O)c2ccccc2C1=O ZINC000512913706 503654707 /nfs/dbraw/zinc/65/47/07/503654707.db2.gz RTCYQQZTSMQJOM-UHFFFAOYSA-N 0 3 350.418 3.027 20 30 FGEDHN COCCN(C)CC[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000532986857 503688717 /nfs/dbraw/zinc/68/87/17/503688717.db2.gz DVIAOOPTXWRZIJ-NRFANRHFSA-N 0 3 355.457 3.497 20 30 FGEDHN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000543508228 503797326 /nfs/dbraw/zinc/79/73/26/503797326.db2.gz PORJJWPKPDBHPD-ZIAGYGMSSA-N 0 3 361.511 3.232 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N2CCC(CC#N)CC2)N(C)C)cc1 ZINC000517704073 503811970 /nfs/dbraw/zinc/81/19/70/503811970.db2.gz YWXKHLWTXVOTGK-SFHVURJKSA-N 0 3 360.527 3.346 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000533445473 503848403 /nfs/dbraw/zinc/84/84/03/503848403.db2.gz RAZBVIRLLGODAJ-WNKNEZEQSA-N 0 3 361.530 3.198 20 30 FGEDHN C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000540707030 503863179 /nfs/dbraw/zinc/86/31/79/503863179.db2.gz MFFPYMFKROUISO-IIBYNOLFSA-N 0 3 353.441 3.421 20 30 FGEDHN C=CCN(CC=C)C(=O)CN(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517901680 503863324 /nfs/dbraw/zinc/86/33/24/503863324.db2.gz RYHQEWKPWVPDLJ-CTNGQTDRSA-N 0 3 355.526 3.344 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC[C@H](O)COc2ccccc2C#N)cc1 ZINC000530232029 503884592 /nfs/dbraw/zinc/88/45/92/503884592.db2.gz VFXMPDURNYDFSC-VWPQPMDRSA-N 0 3 366.461 3.116 20 30 FGEDHN C[C@@H](C#N)CNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000543805018 503899135 /nfs/dbraw/zinc/89/91/35/503899135.db2.gz ZKAFVSHCEHYTDA-SFHVURJKSA-N 0 3 354.498 3.376 20 30 FGEDHN COc1cc(C[C@@H](CO)CN[C@@H](C)c2ccc(C#N)c(F)c2)cc(OC)c1 ZINC000537408331 503905436 /nfs/dbraw/zinc/90/54/36/503905436.db2.gz VFBWTJFRJKKKTD-GOEBONIOSA-N 0 3 372.440 3.216 20 30 FGEDHN C=CCOc1ccc(CNc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000527762827 503932419 /nfs/dbraw/zinc/93/24/19/503932419.db2.gz JBCLEZWHGLJYQC-UHFFFAOYSA-N 0 3 353.466 3.155 20 30 FGEDHN CN(C)CCOc1cccc(-c2noc(CCc3ccc(C#N)cc3)n2)c1 ZINC000547098215 503982598 /nfs/dbraw/zinc/98/25/98/503982598.db2.gz MCJYSTFNFLVDQG-UHFFFAOYSA-N 0 3 362.433 3.334 20 30 FGEDHN CC(C#N)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000530577362 504016512 /nfs/dbraw/zinc/01/65/12/504016512.db2.gz XGZHJZKCYGSDHR-YGRLFVJLSA-N 0 3 354.237 3.473 20 30 FGEDHN N#Cc1cccc(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000530670761 504047711 /nfs/dbraw/zinc/04/77/11/504047711.db2.gz DXPNGGSWYSSRDU-SFHVURJKSA-N 0 3 353.491 3.191 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CCOCC1 ZINC000530692746 504054730 /nfs/dbraw/zinc/05/47/30/504054730.db2.gz MQHOTBYQXLGHRV-UHFFFAOYSA-N 0 3 350.532 3.011 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000518769491 504059189 /nfs/dbraw/zinc/05/91/89/504059189.db2.gz XKSKBFLDLZDCRH-ZIAGYGMSSA-N 0 3 360.531 3.205 20 30 FGEDHN COc1ccc(C[C@@H](C)CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000534168792 504060241 /nfs/dbraw/zinc/06/02/41/504060241.db2.gz IOOWWMMCOMQBSM-MRXNPFEDSA-N 0 3 351.450 3.316 20 30 FGEDHN Cc1nc2ccccn2c1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000530774216 504084789 /nfs/dbraw/zinc/08/47/89/504084789.db2.gz VMTVWKRBQZVFSS-QGZVFWFLSA-N 0 3 363.440 3.412 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000547415042 504095847 /nfs/dbraw/zinc/09/58/47/504095847.db2.gz APMDSDKDYKCPBL-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN CC(C#N)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000530818870 504096331 /nfs/dbraw/zinc/09/63/31/504096331.db2.gz NHULLZLDZRTISE-YGRLFVJLSA-N 0 3 354.237 3.473 20 30 FGEDHN C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000547474092 504119934 /nfs/dbraw/zinc/11/99/34/504119934.db2.gz PKRBDYYVONXSIE-IRXDYDNUSA-N 0 3 367.559 3.033 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000530911029 504127780 /nfs/dbraw/zinc/12/77/80/504127780.db2.gz IICBVPLSFCHTRR-OAQYLSRUSA-N 0 3 365.477 3.309 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000544452651 504140745 /nfs/dbraw/zinc/14/07/45/504140745.db2.gz REWLLJXMEYNPFS-IBGZPJMESA-N 0 3 374.488 3.453 20 30 FGEDHN Cc1cccc(C)c1OC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)C ZINC000538321590 504204641 /nfs/dbraw/zinc/20/46/41/504204641.db2.gz QOEOQTKDMNUORC-XMSQKQJNSA-N 0 3 371.525 3.495 20 30 FGEDHN Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1ccccc1C#N)CCC2 ZINC000528421044 504217555 /nfs/dbraw/zinc/21/75/55/504217555.db2.gz ZESJUPSTJSERMA-WBVHZDCISA-N 0 3 357.479 3.072 20 30 FGEDHN C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000544688447 504219225 /nfs/dbraw/zinc/21/92/25/504219225.db2.gz SKTKCFGCMPBFDX-FUHIMQAGSA-N 0 3 356.514 3.456 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)CC1 ZINC000528446647 504228403 /nfs/dbraw/zinc/22/84/03/504228403.db2.gz BYUXIVUXMLRNJN-QGZVFWFLSA-N 0 3 350.409 3.243 20 30 FGEDHN C[C@@H](CC[S@@](C)=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000538425864 504243265 /nfs/dbraw/zinc/24/32/65/504243265.db2.gz HJXICYXSJSJHSQ-IVCQMTBJSA-N 0 3 356.491 3.384 20 30 FGEDHN C[C@@H](N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507631 504267661 /nfs/dbraw/zinc/26/76/61/504267661.db2.gz RJHQXYBRGFOFBI-UTKZUKDTSA-N 0 3 367.468 3.291 20 30 FGEDHN CC[C@H](CC(F)(F)F)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000544867228 504285039 /nfs/dbraw/zinc/28/50/39/504285039.db2.gz IQQFPZJKHXBHRM-MRXNPFEDSA-N 0 3 370.419 3.362 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000544880401 504288544 /nfs/dbraw/zinc/28/85/44/504288544.db2.gz WBUKYKWUHOZRLY-FQEVSTJZSA-N 0 3 360.461 3.261 20 30 FGEDHN N#Cc1ccc(CN[C@@]2(CO)COc3ccccc3C2)c(C(F)(F)F)c1 ZINC000528643490 504309165 /nfs/dbraw/zinc/30/91/65/504309165.db2.gz FXMWFDBKGXZZSG-SFHVURJKSA-N 0 3 362.351 3.033 20 30 FGEDHN CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000528656441 504316548 /nfs/dbraw/zinc/31/65/48/504316548.db2.gz WLCCCHNFBOMECR-GOSISDBHSA-N 0 3 370.497 3.121 20 30 FGEDHN C[C@@H](NCCCS(=O)(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542014164 504336072 /nfs/dbraw/zinc/33/60/72/504336072.db2.gz ZISOJEVMCBVPIJ-MRXNPFEDSA-N 0 3 371.506 3.157 20 30 FGEDHN C=CCN(Cc1ccc2c(c1)CCO2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732901 504348876 /nfs/dbraw/zinc/34/88/76/504348876.db2.gz ALEBZHFHJZNSHS-MRXNPFEDSA-N 0 3 361.449 3.346 20 30 FGEDHN CC1CC(C#N)(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000531571339 504349745 /nfs/dbraw/zinc/34/97/45/504349745.db2.gz ZLYBZLAIJQITHU-QUENFVSXSA-N 0 3 351.494 3.441 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2c2ccsc2)cc1OC ZINC000528922358 504450624 /nfs/dbraw/zinc/45/06/24/504450624.db2.gz ZNQUTFRYMUBBCX-ZNMIVQPWSA-N 0 3 370.430 3.216 20 30 FGEDHN CC1(C)C[C@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C(C)(C)O1 ZINC000528997008 504489046 /nfs/dbraw/zinc/48/90/46/504489046.db2.gz VMLARKQFDFJJSP-HUUCEWRRSA-N 0 3 362.857 3.259 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC(CC#N)CC2)CCCN1Cc1ccccc1 ZINC000548617678 504498593 /nfs/dbraw/zinc/49/85/93/504498593.db2.gz UUIJBYYTEGNTCO-OAQYLSRUSA-N 0 3 354.498 3.376 20 30 FGEDHN Cc1nn(-c2ccncc2)cc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000542468578 504501832 /nfs/dbraw/zinc/50/18/32/504501832.db2.gz HNJBTUUAOPHBEP-UHFFFAOYSA-N 0 3 373.460 3.491 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000539278491 504517739 /nfs/dbraw/zinc/51/77/39/504517739.db2.gz RBYQVZRWESHKFN-SFHVURJKSA-N 0 3 371.868 3.225 20 30 FGEDHN COC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000542522125 504524969 /nfs/dbraw/zinc/52/49/69/504524969.db2.gz PQSPILNTVZHLLF-BBRMVZONSA-N 0 3 363.527 3.476 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cccc(COC3CCOCC3)c2)nc(C)n1 ZINC000532267844 504591822 /nfs/dbraw/zinc/59/18/22/504591822.db2.gz UJWABVPNUSGICI-IBGZPJMESA-N 0 3 365.433 3.279 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H](N2CCCC2)C1 ZINC000548853507 504593122 /nfs/dbraw/zinc/59/31/22/504593122.db2.gz GDNYMNDLWCJFGL-QGZVFWFLSA-N 0 3 371.916 3.383 20 30 FGEDHN CC(C)[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000548908218 504615140 /nfs/dbraw/zinc/61/51/40/504615140.db2.gz LZKVXTADLQFIQF-HXUWFJFHSA-N 0 3 356.491 3.361 20 30 FGEDHN C[C@H](NCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539607700 504625124 /nfs/dbraw/zinc/62/51/24/504625124.db2.gz XWLXEGRSJAEPEO-KRWDZBQOSA-N 0 3 352.457 3.170 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000521058281 504639432 /nfs/dbraw/zinc/63/94/32/504639432.db2.gz GAAIMCSVTSHJPT-KBXCAEBGSA-N 0 3 352.413 3.482 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc(C)n1 ZINC000542877838 504642942 /nfs/dbraw/zinc/64/29/42/504642942.db2.gz XBXIAKAEUPVKIG-LLVKDONJSA-N 0 3 362.292 3.093 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000542880806 504644144 /nfs/dbraw/zinc/64/41/44/504644144.db2.gz VPYJKSLNMWECBP-CKJXQJPGSA-N 0 3 367.497 3.274 20 30 FGEDHN CC(C)CN(CCn1cnc2ccccc2c1=O)Cc1ccc(C#N)cc1 ZINC000532499220 504672330 /nfs/dbraw/zinc/67/23/30/504672330.db2.gz OQFMRYWHTFZZPM-UHFFFAOYSA-N 0 3 360.461 3.426 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC(O)C1 ZINC000539882043 504727563 /nfs/dbraw/zinc/72/75/63/504727563.db2.gz HWUOLCKMQABZRL-ROUUACIJSA-N 0 3 374.488 3.231 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000521628926 504766493 /nfs/dbraw/zinc/76/64/93/504766493.db2.gz GGJWBOCQFXHLIW-LBPRGKRZSA-N 0 3 356.289 3.023 20 30 FGEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000549270954 504778581 /nfs/dbraw/zinc/77/85/81/504778581.db2.gz WUDKCHVYOPFEKT-UHFFFAOYSA-N 0 3 368.529 3.474 20 30 FGEDHN C=CCOCCN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000559187205 504798196 /nfs/dbraw/zinc/79/81/96/504798196.db2.gz RAKBDWYAHJGGOQ-ZDUSSCGKSA-N 0 3 368.193 3.294 20 30 FGEDHN Cc1ccc2c(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc(O)c2n1 ZINC000562379128 504800066 /nfs/dbraw/zinc/80/00/66/504800066.db2.gz LIUKNRRTMOKCBD-KRWDZBQOSA-N 0 3 360.417 3.169 20 30 FGEDHN C[C@H]1CN(CC2CCN(Cc3cn4ccccc4c3C#N)CC2)C[C@H](C)O1 ZINC000549401094 504809947 /nfs/dbraw/zinc/80/99/47/504809947.db2.gz IMSGGGWSZOCVTA-ROUUACIJSA-N 0 3 366.509 3.132 20 30 FGEDHN N#Cc1cccc(C2(NCCCS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000556511239 504893616 /nfs/dbraw/zinc/89/36/16/504893616.db2.gz FPHKWSBHMGXAIB-UHFFFAOYSA-N 0 3 358.438 3.140 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000550097257 504966243 /nfs/dbraw/zinc/96/62/43/504966243.db2.gz RMYYQMJJDPWQFN-GOSISDBHSA-N 0 3 368.477 3.312 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)s1 ZINC000562932381 504992336 /nfs/dbraw/zinc/99/23/36/504992336.db2.gz GQRBOGXRRRORPH-GOSISDBHSA-N 0 3 354.479 3.256 20 30 FGEDHN Cc1cccc(C)c1OC[C@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000562986776 505010813 /nfs/dbraw/zinc/01/08/13/505010813.db2.gz RQXBOCUFHAGIRP-AZUAARDMSA-N 0 3 368.477 3.166 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)ccc1OC ZINC000550327030 505022826 /nfs/dbraw/zinc/02/28/26/505022826.db2.gz RAXOAULHMIHERV-UIFIKXQLSA-N 0 3 371.481 3.355 20 30 FGEDHN CN(C(=O)c1cscc1C#N)c1ccc(OCCN2CCCC2)cc1 ZINC000560325350 505046882 /nfs/dbraw/zinc/04/68/82/505046882.db2.gz RBODPXLBSXCKHO-UHFFFAOYSA-N 0 3 355.463 3.371 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000554040547 505074239 /nfs/dbraw/zinc/07/42/39/505074239.db2.gz ONPRGTQKIQCPRJ-HXUWFJFHSA-N 0 3 351.450 3.378 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000557219491 505094829 /nfs/dbraw/zinc/09/48/29/505094829.db2.gz AWXDVBCYHUIPIK-BHIFYINESA-N 0 3 374.488 3.355 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)N2CCC(CCC#N)CC2)CCN1Cc1ccccc1 ZINC000566153369 505099260 /nfs/dbraw/zinc/09/92/60/505099260.db2.gz NZNWITJSTNCNBB-PXNSSMCTSA-N 0 3 354.498 3.375 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(=O)NCCN1CCCC[C@@H]1CC)c1ccccc1 ZINC000554233897 505122326 /nfs/dbraw/zinc/12/23/26/505122326.db2.gz UZAGJNZJYRHTEA-VQTJNVASSA-N 0 3 371.525 3.191 20 30 FGEDHN CCN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000560639132 505151716 /nfs/dbraw/zinc/15/17/16/505151716.db2.gz ASDLXTPGXRYUIG-LJQANCHMSA-N 0 3 365.452 3.363 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000554496850 505188400 /nfs/dbraw/zinc/18/84/00/505188400.db2.gz KLWGXNDXKZIDIC-UHFFFAOYSA-N 0 3 356.857 3.177 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000551344904 505205279 /nfs/dbraw/zinc/20/52/79/505205279.db2.gz ZCGMLZBHWGTZJP-PXNSSMCTSA-N 0 3 362.477 3.387 20 30 FGEDHN CCOC(=O)C1CCC(N(CC)Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000560979220 505221368 /nfs/dbraw/zinc/22/13/68/505221368.db2.gz XSFTVBJURNDYLQ-UHFFFAOYSA-N 0 3 372.465 3.289 20 30 FGEDHN CCC(C)(C)C1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000554786462 505264535 /nfs/dbraw/zinc/26/45/35/505264535.db2.gz SQIQHFGYKYBSDA-UHFFFAOYSA-N 0 3 363.527 3.312 20 30 FGEDHN N#Cc1cccc(CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000557963580 505273197 /nfs/dbraw/zinc/27/31/97/505273197.db2.gz VZFDTDPVJCEUNR-NRFANRHFSA-N 0 3 362.477 3.065 20 30 FGEDHN Cn1nccc1N1CCC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000554975946 505317181 /nfs/dbraw/zinc/31/71/81/505317181.db2.gz NYNQRUSOZQNEQU-OAHLLOKOSA-N 0 3 363.387 3.069 20 30 FGEDHN N#C[C@H](C(=O)c1cccc(CN2CCCC2)c1)c1nnc2n1CCCCC2 ZINC000558190800 505330869 /nfs/dbraw/zinc/33/08/69/505330869.db2.gz LVCLKNRBUCWVQT-GOSISDBHSA-N 0 3 363.465 3.090 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1ccccc1N(C)C ZINC000564152027 505339311 /nfs/dbraw/zinc/33/93/11/505339311.db2.gz KLHRBWYALYYANL-FQEVSTJZSA-N 0 3 354.494 3.353 20 30 FGEDHN C[C@@H]1CCCc2ccccc2[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564321455 505383819 /nfs/dbraw/zinc/38/38/19/505383819.db2.gz CVUIJOCNVNWUKZ-QRWLVFNGSA-N 0 3 369.490 3.030 20 30 FGEDHN CC(C)[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000564442173 505420818 /nfs/dbraw/zinc/42/08/18/505420818.db2.gz BLVQLMHHPKWTFV-IAGOWNOFSA-N 0 3 357.420 3.198 20 30 FGEDHN C[C@H](O)C[C@@H]1CCCCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552178991 505421492 /nfs/dbraw/zinc/42/14/92/505421492.db2.gz UHJVDSAZAXPPRX-VDGAXYAQSA-N 0 3 355.482 3.069 20 30 FGEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000561762047 505430087 /nfs/dbraw/zinc/43/00/87/505430087.db2.gz JHDJVPWQYKICFU-WAOWUJCRSA-N 0 3 369.509 3.296 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(c4ccc(Cl)cc4)CCC3)cnc12 ZINC000555509488 505443027 /nfs/dbraw/zinc/44/30/27/505443027.db2.gz SJGVZKVOIXYXLW-UHFFFAOYSA-N 0 3 351.841 3.466 20 30 FGEDHN Cc1ccccc1COc1ccc([C@@H](C)NCCn2cnc(C#N)n2)cc1 ZINC000552334000 505464074 /nfs/dbraw/zinc/46/40/74/505464074.db2.gz VERZEUNTJULWOS-QGZVFWFLSA-N 0 3 361.449 3.388 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C(C)C)C2(CO)CCC2)c1 ZINC000564673376 505488527 /nfs/dbraw/zinc/48/85/27/505488527.db2.gz NETOOZLCUYNDRP-OAQYLSRUSA-N 0 3 371.525 3.327 20 30 FGEDHN COc1ccccc1COC[C@@H](O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000567694072 505538327 /nfs/dbraw/zinc/53/83/27/505538327.db2.gz HPGIHBQLCILKGS-FPOVZHCZSA-N 0 3 366.461 3.112 20 30 FGEDHN CN(Cc1ccccn1)[C@H]1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000555925258 505540049 /nfs/dbraw/zinc/54/00/49/505540049.db2.gz LRTVQQQHESNZCK-KRWDZBQOSA-N 0 3 355.873 3.493 20 30 FGEDHN C=CCC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000588965343 506398578 /nfs/dbraw/zinc/39/85/78/506398578.db2.gz NOOKFWOECHQFHW-GOSISDBHSA-N 0 3 355.463 3.024 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599300225 506402336 /nfs/dbraw/zinc/40/23/36/506402336.db2.gz NXDFVYHOVKBTIN-INIZCTEOSA-N 0 3 367.415 3.490 20 30 FGEDHN CCc1nc(C)c([C@H](C)N(C)C[C@H](O)CC2(C#N)CCOCC2)s1 ZINC000599299228 506403076 /nfs/dbraw/zinc/40/30/76/506403076.db2.gz IGYSIGUSFPKNCR-LSDHHAIUSA-N 0 3 351.516 3.078 20 30 FGEDHN N#CC1(C[C@@H](O)CNC(c2ccccc2)c2ccccc2)CCOCC1 ZINC000599312796 506407956 /nfs/dbraw/zinc/40/79/56/506407956.db2.gz WXICFULZKVCKIV-HXUWFJFHSA-N 0 3 350.462 3.437 20 30 FGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000599345645 506420955 /nfs/dbraw/zinc/42/09/55/506420955.db2.gz TUKVBSSOXXMPHS-CJNGLKHVSA-N 0 3 356.388 3.427 20 30 FGEDHN Cc1cc(C)cc(C2=CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599347557 506421393 /nfs/dbraw/zinc/42/13/93/506421393.db2.gz UMKINRSEYRIHBF-OAQYLSRUSA-N 0 3 354.494 3.464 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(OC(F)F)cc1 ZINC000599351544 506424822 /nfs/dbraw/zinc/42/48/22/506424822.db2.gz ZUIDSZGLLHGJSY-CZUORRHYSA-N 0 3 362.376 3.250 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)Nc3ccnc(C#N)c3)c(C)c2)CC1 ZINC000603131560 506431598 /nfs/dbraw/zinc/43/15/98/506431598.db2.gz QBRHWGIZWRNMDP-UHFFFAOYSA-N 0 3 364.453 3.048 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000582814533 506431972 /nfs/dbraw/zinc/43/19/72/506431972.db2.gz XXGRZTSSZBVOBX-LJQANCHMSA-N 0 3 351.498 3.036 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000612115410 506443906 /nfs/dbraw/zinc/44/39/06/506443906.db2.gz ILIPDVKHKCAUQD-TZIWHRDSSA-N 0 3 354.498 3.234 20 30 FGEDHN C[C@H](CNC[C@H](O)COc1ccc(CC#N)cc1)Oc1cccc(Cl)c1 ZINC000582900593 506479817 /nfs/dbraw/zinc/47/98/17/506479817.db2.gz QTDOWASSAFHQNS-QAPCUYQASA-N 0 3 374.868 3.203 20 30 FGEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(F)c(Br)cc1F ZINC000599540748 506491329 /nfs/dbraw/zinc/49/13/29/506491329.db2.gz BXLRXRCWXGRLOW-ZJUUUORDSA-N 0 3 359.214 3.433 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000593247507 506493190 /nfs/dbraw/zinc/49/31/90/506493190.db2.gz DCSLLVOISPLCEZ-UHFFFAOYSA-N 0 3 360.461 3.248 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@]1(CO)CCCN(Cc3ccccc3)C1)CC2 ZINC000589342749 506522872 /nfs/dbraw/zinc/52/28/72/506522872.db2.gz JEKFXIGMJBOHNK-GOTSBHOMSA-N 0 3 361.489 3.162 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599623804 506535307 /nfs/dbraw/zinc/53/53/07/506535307.db2.gz CDMXZIVMFRWQLC-SXPCIFIFSA-N 0 3 361.511 3.278 20 30 FGEDHN CN(C)C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000599626403 506537092 /nfs/dbraw/zinc/53/70/92/506537092.db2.gz FROJWUROSBCZGA-XJKSGUPXSA-N 0 3 356.297 3.240 20 30 FGEDHN CC(=O)NC1CCC(N(C)Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589511616 506574115 /nfs/dbraw/zinc/57/41/15/506574115.db2.gz YTHMZMXBPXXMPB-UHFFFAOYSA-N 0 3 353.388 3.456 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593370277 506579992 /nfs/dbraw/zinc/57/99/92/506579992.db2.gz KNVDNTKKSHRURX-JTSKRJEESA-N 0 3 374.488 3.494 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)c1ccco1 ZINC000593404781 506602264 /nfs/dbraw/zinc/60/22/64/506602264.db2.gz YSMHTOBHNTVFJL-RDTXWAMCSA-N 0 3 352.438 3.306 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC1(C#N)CCCC1 ZINC000593427145 506615439 /nfs/dbraw/zinc/61/54/39/506615439.db2.gz NGPFTENLGMQFOV-SFHVURJKSA-N 0 3 354.498 3.376 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1(C#N)CCCC1 ZINC000593428047 506615767 /nfs/dbraw/zinc/61/57/67/506615767.db2.gz XHKNXPNQHFGQJT-GOSISDBHSA-N 0 3 354.498 3.376 20 30 FGEDHN N#CC1(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CCCC1 ZINC000593430972 506615863 /nfs/dbraw/zinc/61/58/63/506615863.db2.gz FNFUJMVVQCRPGD-JOCHJYFZSA-N 0 3 366.509 3.378 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)cc1 ZINC000603777256 506616519 /nfs/dbraw/zinc/61/65/19/506616519.db2.gz GIGGGRGCXLNWLC-UHFFFAOYSA-N 0 3 361.511 3.025 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(CCOCC2)[C@H]1C ZINC000612540229 506616622 /nfs/dbraw/zinc/61/66/22/506616622.db2.gz UDVMLAPNTOQVAR-ZIAGYGMSSA-N 0 3 361.873 3.430 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1(C#N)CCCCC1 ZINC000596828893 506623072 /nfs/dbraw/zinc/62/30/72/506623072.db2.gz MYTRDYGMKFDPCH-UHFFFAOYSA-N 0 3 352.482 3.313 20 30 FGEDHN N#Cc1cccc(CN2CCC(Nc3c(C#N)cnc4ccccc43)CC2)c1 ZINC000593514443 506662957 /nfs/dbraw/zinc/66/29/57/506662957.db2.gz AOGHXXZAOTXSJU-UHFFFAOYSA-N 0 3 367.456 3.477 20 30 FGEDHN CC[C@@H](C#N)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593542218 506678602 /nfs/dbraw/zinc/67/86/02/506678602.db2.gz WBPLSTCAFGNKFN-ZWKOTPCHSA-N 0 3 351.454 3.127 20 30 FGEDHN CCCN1CCN(c2ccc(NC(=O)[C@H](C#N)CC)c(OCC)c2)CC1 ZINC000593640169 506710952 /nfs/dbraw/zinc/71/09/52/506710952.db2.gz VZMWFWYFOCBLRS-INIZCTEOSA-N 0 3 358.486 3.106 20 30 FGEDHN N#CC1(c2ccc(CN3CCCN(Cc4cscn4)CC3)cc2)CC1 ZINC000596995567 506721893 /nfs/dbraw/zinc/72/18/93/506721893.db2.gz JZGRQWLAJFIODA-UHFFFAOYSA-N 0 3 352.507 3.406 20 30 FGEDHN N#CC1(c2ccc(CN3CCC(CN4CCCCC4=O)CC3)cc2)CC1 ZINC000597009420 506729388 /nfs/dbraw/zinc/72/93/88/506729388.db2.gz PWDQYTRQPNCXLC-UHFFFAOYSA-N 0 3 351.494 3.466 20 30 FGEDHN COc1ccc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)nc1 ZINC000593760050 506765579 /nfs/dbraw/zinc/76/55/79/506765579.db2.gz MQMAYCNWOJXQPG-LJQANCHMSA-N 0 3 374.444 3.050 20 30 FGEDHN Cc1nc2c(s1)[C@@H](N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000583459408 506789858 /nfs/dbraw/zinc/78/98/58/506789858.db2.gz LGXOYNPTVZSRGB-ZWKOTPCHSA-N 0 3 366.490 3.486 20 30 FGEDHN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000593843889 506799108 /nfs/dbraw/zinc/79/91/08/506799108.db2.gz GIHSVTYKQRNAMF-UHFFFAOYSA-N 0 3 373.460 3.016 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000597167069 506809900 /nfs/dbraw/zinc/80/99/00/506809900.db2.gz HXNDIEJTIOQHPA-SFHVURJKSA-N 0 3 364.530 3.291 20 30 FGEDHN CO[C@@]1(CO)CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597186806 506824204 /nfs/dbraw/zinc/82/42/04/506824204.db2.gz JDMDRTPLMLUJIZ-QFIPXVFZSA-N 0 3 366.461 3.111 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000609399115 506874730 /nfs/dbraw/zinc/87/47/30/506874730.db2.gz KBWHIUYDUHEORN-INIZCTEOSA-N 0 3 365.437 3.209 20 30 FGEDHN CC(C)OC(=O)C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000594047799 506905796 /nfs/dbraw/zinc/90/57/96/506905796.db2.gz ZJFBAJJXMNAFHN-MOPGFXCFSA-N 0 3 371.481 3.010 20 30 FGEDHN CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CCN1C ZINC000597423459 506945566 /nfs/dbraw/zinc/94/55/66/506945566.db2.gz RTGHPSBLVHZWQD-LJQANCHMSA-N 0 3 364.497 3.003 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCn1cc(Br)ccc1=O ZINC000590778824 506950464 /nfs/dbraw/zinc/95/04/64/506950464.db2.gz ANPWXTPIZHDFIP-KRWDZBQOSA-N 0 3 372.266 3.150 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCC1 ZINC000590833202 506987952 /nfs/dbraw/zinc/98/79/52/506987952.db2.gz KYUVCYARDNEEHO-FQEVSTJZSA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)NC[C@@H]3CCCCN3C3CC3)CCC2)cc1 ZINC000594242187 507037313 /nfs/dbraw/zinc/03/73/13/507037313.db2.gz MLDBHUZZMZBPCB-IBGZPJMESA-N 0 3 352.482 3.254 20 30 FGEDHN CCCC[C@H](NC(=O)C(C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000609920698 507050096 /nfs/dbraw/zinc/05/00/96/507050096.db2.gz BFJCETDSWLKKKC-QAPCUYQASA-N 0 3 356.470 3.060 20 30 FGEDHN CCC1(N2CCOCC2)CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000600683839 507063658 /nfs/dbraw/zinc/06/36/58/507063658.db2.gz VEXHLGNJICCIDS-FQEVSTJZSA-N 0 3 369.509 3.177 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCSc2ccc(F)cc21 ZINC000600715576 507078615 /nfs/dbraw/zinc/07/86/15/507078615.db2.gz ACIRYTJYDSSJCN-RDJZCZTQSA-N 0 3 358.438 3.264 20 30 FGEDHN CN1CCN(CCNc2nc3c(cc2C#N)CCCC3(C)C)CC1(C)C ZINC000583973390 507079015 /nfs/dbraw/zinc/07/90/15/507079015.db2.gz RWPYMYZSTVHZST-UHFFFAOYSA-N 0 3 355.530 3.005 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597735679 507081837 /nfs/dbraw/zinc/08/18/37/507081837.db2.gz ITMMTOWIURVGTN-OAHLLOKOSA-N 0 3 369.415 3.431 20 30 FGEDHN Cc1nc(-c2ccc(CNC[C@@H](O)CC3(C#N)CCOCC3)cc2)cs1 ZINC000600723622 507083899 /nfs/dbraw/zinc/08/38/99/507083899.db2.gz XZXAXLKYPLZNEU-SFHVURJKSA-N 0 3 371.506 3.280 20 30 FGEDHN N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000597776076 507094923 /nfs/dbraw/zinc/09/49/23/507094923.db2.gz LHYVFGKHBBJDNA-LJQANCHMSA-N 0 3 363.436 3.499 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccccc1CC(F)(F)F ZINC000600762730 507107751 /nfs/dbraw/zinc/10/77/51/507107751.db2.gz WGZYBMQLYZJMBV-QGZVFWFLSA-N 0 3 364.367 3.193 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000594431397 507129567 /nfs/dbraw/zinc/12/95/67/507129567.db2.gz LRANGEVHRKHVJF-SFHVURJKSA-N 0 3 356.470 3.099 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000594437954 507133495 /nfs/dbraw/zinc/13/34/95/507133495.db2.gz LRCDQEZAQHBNPM-FQEVSTJZSA-N 0 3 368.456 3.203 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000594452880 507141420 /nfs/dbraw/zinc/14/14/20/507141420.db2.gz KLQDYJDQNFRBPS-RDJZCZTQSA-N 0 3 363.889 3.369 20 30 FGEDHN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000594473181 507147355 /nfs/dbraw/zinc/14/73/55/507147355.db2.gz WMYHTWHWXYWFHV-UHFFFAOYSA-N 0 3 364.497 3.313 20 30 FGEDHN CN(C)C(=O)COc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594495193 507153270 /nfs/dbraw/zinc/15/32/70/507153270.db2.gz NMRHOKYHLFFDBA-UHFFFAOYSA-N 0 3 365.477 3.245 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)C[C@@H]1C ZINC000584119920 507164395 /nfs/dbraw/zinc/16/43/95/507164395.db2.gz PJEHECRWJVBORZ-LSDHHAIUSA-N 0 3 350.470 3.071 20 30 FGEDHN N#Cc1ccc(CNC(=O)CCN2CCc3ccccc3C2)cc1Cl ZINC000591320801 507201369 /nfs/dbraw/zinc/20/13/69/507201369.db2.gz INKNPLGSNWHCHM-UHFFFAOYSA-N 0 3 353.853 3.276 20 30 FGEDHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)C(=O)NC1(C#N)CCCCC1 ZINC000594717161 507250511 /nfs/dbraw/zinc/25/05/11/507250511.db2.gz HUINVJSWRBKLIP-YESZJQIVSA-N 0 3 361.530 3.433 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000598193544 507306138 /nfs/dbraw/zinc/30/61/38/507306138.db2.gz BWVGSWXNDRDUIS-KRWDZBQOSA-N 0 3 351.425 3.086 20 30 FGEDHN CN1CCN(C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)c2ccccc2)CC1 ZINC000594924648 507317367 /nfs/dbraw/zinc/31/73/67/507317367.db2.gz KHNCYJMTCFFACF-HSZRJFAPSA-N 0 3 374.532 3.320 20 30 FGEDHN N#CC1(c2ccc(CN[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)cc2)CC1 ZINC000594938302 507322617 /nfs/dbraw/zinc/32/26/17/507322617.db2.gz MDEWOYJEYGZZJT-HXUWFJFHSA-N 0 3 363.436 3.272 20 30 FGEDHN CN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000584411137 507330643 /nfs/dbraw/zinc/33/06/43/507330643.db2.gz KVXQAJZLNBDYAF-RBUKOAKNSA-N 0 3 365.412 3.092 20 30 FGEDHN COc1ccc(N2C[C@H](NCc3ccc(C4(C#N)CC4)cc3)CC2=O)cc1 ZINC000594967418 507334802 /nfs/dbraw/zinc/33/48/02/507334802.db2.gz YZKJAZSMAYSFIL-GOSISDBHSA-N 0 3 361.445 3.145 20 30 FGEDHN Cn1ncc(C2CCC2)c1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594981621 507341839 /nfs/dbraw/zinc/34/18/39/507341839.db2.gz AVNMUCSWPUOFGC-UHFFFAOYSA-N 0 3 363.509 3.313 20 30 FGEDHN N#Cc1cccc(C2(NCc3cc(-c4cccnc4)n[nH]3)CCOCC2)c1 ZINC000594984181 507341872 /nfs/dbraw/zinc/34/18/72/507341872.db2.gz NVOAFVUMFQJNFX-UHFFFAOYSA-N 0 3 359.433 3.139 20 30 FGEDHN CO[C@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000591754170 507346799 /nfs/dbraw/zinc/34/67/99/507346799.db2.gz GUOQJINOTIPYCT-OXQOHEQNSA-N 0 3 374.868 3.123 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591764902 507351633 /nfs/dbraw/zinc/35/16/33/507351633.db2.gz QTINTKWSVDWMOW-MRXNPFEDSA-N 0 3 350.378 3.072 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)C3(C#N)CC4(CC4)C3)C2)s1 ZINC000601560161 507387587 /nfs/dbraw/zinc/38/75/87/507387587.db2.gz QUJMWQYFGANJNO-INIZCTEOSA-N 0 3 357.523 3.421 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000601621641 507406412 /nfs/dbraw/zinc/40/64/12/507406412.db2.gz PMOSWYPZABDWSI-SFHVURJKSA-N 0 3 351.450 3.468 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)Nc3ccc([C@@H]4CNCCO4)cc3)CC2)c1 ZINC000595234557 507435533 /nfs/dbraw/zinc/43/55/33/507435533.db2.gz LKENGVCWEQCUMF-IBGZPJMESA-N 0 3 362.433 3.030 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1NCc2ccccc21 ZINC000595251131 507438917 /nfs/dbraw/zinc/43/89/17/507438917.db2.gz YJCBYUVCWGLXNC-LJQANCHMSA-N 0 3 351.406 3.344 20 30 FGEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000598536778 507475555 /nfs/dbraw/zinc/47/55/55/507475555.db2.gz WRWGPQMNTSESJP-PMACEKPBSA-N 0 3 369.509 3.176 20 30 FGEDHN CC(C)[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CCN1 ZINC000598571248 507494260 /nfs/dbraw/zinc/49/42/60/507494260.db2.gz IMFUBUJMWUQLNP-FQEVSTJZSA-N 0 3 363.461 3.207 20 30 FGEDHN COC(=O)C[C@](C)(NCCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000595451604 507506459 /nfs/dbraw/zinc/50/64/59/507506459.db2.gz UQYQWAOQPKILHM-NRFANRHFSA-N 0 3 352.434 3.177 20 30 FGEDHN Cc1ccc(CN(C[C@H](O)COc2ccc(CC#N)cc2)CC2CC2)cn1 ZINC000592145677 507506764 /nfs/dbraw/zinc/50/67/64/507506764.db2.gz YKJJXJBBIINTCV-NRFANRHFSA-N 0 3 365.477 3.108 20 30 FGEDHN Cc1ccc(CN(C[C@@H](O)COc2ccc(CC#N)cc2)CC2CC2)cn1 ZINC000592145679 507506861 /nfs/dbraw/zinc/50/68/61/507506861.db2.gz YKJJXJBBIINTCV-OAQYLSRUSA-N 0 3 365.477 3.108 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNC2(c3ccccc3F)CCC2)cc1 ZINC000592145352 507506925 /nfs/dbraw/zinc/50/69/25/507506925.db2.gz VLFMSGICHCGNDX-QGZVFWFLSA-N 0 3 354.425 3.300 20 30 FGEDHN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C[C@H](O)CC(C)(C)C#N ZINC000598596080 507509726 /nfs/dbraw/zinc/50/97/26/507509726.db2.gz HNHHESXPUUDIRL-IOMROCGXSA-N 0 3 372.557 3.223 20 30 FGEDHN Cc1cccc(C2(NC[C@@H](O)COc3ccc(CC#N)cc3)CCC2)c1 ZINC000592146064 507510782 /nfs/dbraw/zinc/51/07/82/507510782.db2.gz MQWPVZRKKYTFMX-HXUWFJFHSA-N 0 3 350.462 3.470 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000598611337 507517879 /nfs/dbraw/zinc/51/78/79/507517879.db2.gz MNABCRSBEJHUNX-SMDDNHRTSA-N 0 3 364.795 3.283 20 30 FGEDHN COc1cc(OC)cc(C2(F)CCN(C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598614233 507519706 /nfs/dbraw/zinc/51/97/06/507519706.db2.gz JTTMYJVPUYKKMF-MRXNPFEDSA-N 0 3 364.461 3.265 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000606840904 507527919 /nfs/dbraw/zinc/52/79/19/507527919.db2.gz CVRQMBSSGDSNLW-GFCCVEGCSA-N 0 3 356.388 3.483 20 30 FGEDHN N#Cc1ccc(O[C@H]2CCN(CCc3nsc4ccccc34)C2)nc1 ZINC000595500006 507531919 /nfs/dbraw/zinc/53/19/19/507531919.db2.gz BPUNMQIZEJEQBI-HNNXBMFYSA-N 0 3 350.447 3.259 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CNC2(CCO)CCCC2)c1C#N ZINC000595509392 507538304 /nfs/dbraw/zinc/53/83/04/507538304.db2.gz SRFTUSULWOGJET-UHFFFAOYSA-N 0 3 372.513 3.315 20 30 FGEDHN N#CC(C(=O)c1cccc(OCC(F)(F)F)n1)c1nc2ccccc2[nH]1 ZINC000607009026 507583232 /nfs/dbraw/zinc/58/32/32/507583232.db2.gz JFWAUVWMPGNZAV-SNVBAGLBSA-N 0 3 360.295 3.389 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000592297124 507599220 /nfs/dbraw/zinc/59/92/20/507599220.db2.gz YPBJYQNSTHCHLT-QGZVFWFLSA-N 0 3 359.514 3.356 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000592354795 507615956 /nfs/dbraw/zinc/61/59/56/507615956.db2.gz CFWFXJSFGIPGFX-AZUAARDMSA-N 0 3 359.539 3.439 20 30 FGEDHN C[C@H](NCC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc(C#N)cc1F ZINC000592393552 507637233 /nfs/dbraw/zinc/63/72/33/507637233.db2.gz HMGOMXVKJXWDAG-AWEZNQCLSA-N 0 3 362.445 3.486 20 30 FGEDHN CN(C)CCOc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000611395256 507660818 /nfs/dbraw/zinc/66/08/18/507660818.db2.gz YZERGYDJGJBVAD-HXUWFJFHSA-N 0 3 350.466 3.061 20 30 FGEDHN COc1cccc(OC)c1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000586776504 507668599 /nfs/dbraw/zinc/66/85/99/507668599.db2.gz ZZVSGEJHJADJSQ-UHFFFAOYSA-N 0 3 351.450 3.334 20 30 FGEDHN N#Cc1ccc(CN(C(=O)NC[C@@H]2CCN2C2CCCC2)C2CC2)cc1 ZINC000602372972 507686571 /nfs/dbraw/zinc/68/65/71/507686571.db2.gz BQFNRECLNWZIDP-FQEVSTJZSA-N 0 3 352.482 3.249 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CNC2(CO)CCCCC2)ccc1Cl ZINC000611462812 507692436 /nfs/dbraw/zinc/69/24/36/507692436.db2.gz BGQMGFFEIPVYFI-UHFFFAOYSA-N 0 3 363.889 3.180 20 30 FGEDHN COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)s1 ZINC000595921103 507746895 /nfs/dbraw/zinc/74/68/95/507746895.db2.gz TVHUMOXISWFCKG-INIZCTEOSA-N 0 3 355.463 3.489 20 30 FGEDHN CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3c(Cl)cc(C)cc32)N(C)C1 ZINC000588057190 507747852 /nfs/dbraw/zinc/74/78/52/507747852.db2.gz WOZKDSZKSLZHRT-GJZGRUSLSA-N 0 3 358.873 3.224 20 30 FGEDHN C[C@H](CC[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000827412927 601348341 /nfs/dbraw/zinc/34/83/41/601348341.db2.gz VCOSWXAXXOEXSV-UZLBHIALSA-N 0 3 351.450 3.184 20 30 FGEDHN Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCC[C@H]2[NH+]2CCCCC2)n1 ZINC000826350402 608534857 /nfs/dbraw/zinc/53/48/57/608534857.db2.gz UMBKVPSSKXZYDR-CQSZACIVSA-N 0 3 374.880 3.112 20 30 FGEDHN Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCC[C@H]2[NH+]2CCCCC2)n1 ZINC000826350402 608534859 /nfs/dbraw/zinc/53/48/59/608534859.db2.gz UMBKVPSSKXZYDR-CQSZACIVSA-N 0 3 374.880 3.112 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H](C)OCC1CC1 ZINC000120257946 700651542 /nfs/dbraw/zinc/65/15/42/700651542.db2.gz ZOSVXCUPZBBKNQ-AAEUAGOBSA-N 0 3 364.829 3.120 20 30 FGEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000120270048 700651767 /nfs/dbraw/zinc/65/17/67/700651767.db2.gz PSALWBWOBAAMSH-OTYXRUKQSA-N 0 3 355.221 3.456 20 30 FGEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126609756 700750439 /nfs/dbraw/zinc/75/04/39/700750439.db2.gz LEACZGOSBSXRIE-CYBMUJFWSA-N 0 3 356.394 3.465 20 30 FGEDHN N#CC(C(=O)CCn1ccc2cc(Cl)ccc21)C(=O)NC1CCCC1 ZINC000136881741 704865673 /nfs/dbraw/zinc/86/56/73/704865673.db2.gz IGVXIDRHRVLMJC-INIZCTEOSA-N 0 3 357.841 3.452 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000170709567 705356898 /nfs/dbraw/zinc/35/68/98/705356898.db2.gz ZCLWENCCLCODLV-AWEZNQCLSA-N 0 3 359.451 3.269 20 30 FGEDHN CSc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000193441897 712891505 /nfs/dbraw/zinc/89/15/05/712891505.db2.gz FYNCFINITHYORV-ZDUSSCGKSA-N 0 3 355.375 3.278 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1ccccc1OCC#N)c1ccsc1 ZINC000194150915 713512189 /nfs/dbraw/zinc/51/21/89/713512189.db2.gz PZWVTPUGKREDDI-QGZVFWFLSA-N 0 3 357.479 3.463 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)nc1 ZINC000194791258 713534908 /nfs/dbraw/zinc/53/49/08/713534908.db2.gz OTHVSJSAKIQOCK-UHFFFAOYSA-N 0 3 357.845 3.202 20 30 FGEDHN COCCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C(C)(C)C1 ZINC000649849617 718577468 /nfs/dbraw/zinc/57/74/68/718577468.db2.gz COSYBTDUDSKRBU-UHFFFAOYSA-N 0 3 354.416 3.100 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000655426953 719292121 /nfs/dbraw/zinc/29/21/21/719292121.db2.gz INKPFPIMVITBCQ-KRWDZBQOSA-N 0 3 361.873 3.173 20 30 FGEDHN C=CCOc1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000667101460 721030275 /nfs/dbraw/zinc/03/02/75/721030275.db2.gz XBNZAOZKWOSYMF-CABCVRRESA-N 0 3 359.344 3.174 20 30 FGEDHN N#Cc1cc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911550 721527888 /nfs/dbraw/zinc/52/78/88/721527888.db2.gz XDDLLDHYXMPQSG-SJLPKXTDSA-N 0 3 372.831 3.088 20 30 FGEDHN CC(=O)N[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C1CCCC1 ZINC000730420356 722468293 /nfs/dbraw/zinc/46/82/93/722468293.db2.gz CHLUPYQREBUKCZ-XJKSGUPXSA-N 0 3 359.426 3.307 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN1CCC[C@H]1C ZINC000744346260 722576063 /nfs/dbraw/zinc/57/60/63/722576063.db2.gz XHISANBDTANXAN-CYBMUJFWSA-N 0 3 356.388 3.484 20 30 FGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767885281 723638150 /nfs/dbraw/zinc/63/81/50/723638150.db2.gz RFWMQGJBBAOCOK-DZGCQCFKSA-N 0 3 353.388 3.255 20 30 FGEDHN CO[C@]1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000796499452 723640324 /nfs/dbraw/zinc/64/03/24/723640324.db2.gz BLYNMKPTJQGNKC-IFXJQAMLSA-N 0 3 357.479 3.364 20 30 FGEDHN C#CCNC(=O)CN[C@](C)(CCCC)c1cccc(Br)c1 ZINC000796523583 723641377 /nfs/dbraw/zinc/64/13/77/723641377.db2.gz PXEACFOEKUSSET-QGZVFWFLSA-N 0 3 351.288 3.194 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000796633225 723647657 /nfs/dbraw/zinc/64/76/57/723647657.db2.gz ZSHLBQIAVQTJMF-KOLCDFICSA-N 0 3 356.756 3.431 20 30 FGEDHN N#CC(C(=O)CCc1cncnc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000796748870 723653300 /nfs/dbraw/zinc/65/33/00/723653300.db2.gz WRYLUYVQIPRNOY-GFCCVEGCSA-N 0 3 363.204 3.064 20 30 FGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)SC)cc1 ZINC000773772509 723822184 /nfs/dbraw/zinc/82/21/84/723822184.db2.gz WBLPVNIWWIXPNF-WFASDCNBSA-N 0 3 362.451 3.042 20 30 FGEDHN CN(CC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(=O)c1cccs1 ZINC000797568386 723836067 /nfs/dbraw/zinc/83/60/67/723836067.db2.gz HXUCPTXPHIIMCA-LLVKDONJSA-N 0 3 361.492 3.451 20 30 FGEDHN CN(C)c1ccncc1C=NNC(=S)Nc1ccccc1C(F)(F)F ZINC000776183421 724116637 /nfs/dbraw/zinc/11/66/37/724116637.db2.gz MVKZEFHDZZQMGB-UHFFFAOYSA-N 0 3 367.400 3.487 20 30 FGEDHN Cn1cc(CN[C@H](CCO)c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000778091112 724295803 /nfs/dbraw/zinc/29/58/03/724295803.db2.gz BEMORPXOYOSFHE-QGZVFWFLSA-N 0 3 352.463 3.234 20 30 FGEDHN C[C@@H](C#N)OCCN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000801914057 724344779 /nfs/dbraw/zinc/34/47/79/724344779.db2.gz SFXYGQMRJLHCMT-DOTOQJQBSA-N 0 3 351.491 3.027 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786294343 724971777 /nfs/dbraw/zinc/97/17/77/724971777.db2.gz PWBOYUAPYBWFOW-JHJVBQTASA-N 0 3 368.886 3.145 20 30 FGEDHN C[C@H](Oc1ccccc1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536239 724987553 /nfs/dbraw/zinc/98/75/53/724987553.db2.gz ZSBUCQSWVJOGLX-SUMWQHHRSA-N 0 3 356.809 3.133 20 30 FGEDHN N#CC(C(=O)CCCc1ccsc1)C(=O)NCc1ccc(F)cc1F ZINC000786556078 724988757 /nfs/dbraw/zinc/98/87/57/724988757.db2.gz CVUMZIIPRKNTJI-OAHLLOKOSA-N 0 3 362.401 3.374 20 30 FGEDHN CC(C)OCC(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000787054138 725015048 /nfs/dbraw/zinc/01/50/48/725015048.db2.gz SNLCLXQTIOODGS-MFKMUULPSA-N 0 3 357.237 3.304 20 30 FGEDHN N#Cc1ncc(Br)cc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000787889935 725040184 /nfs/dbraw/zinc/04/01/84/725040184.db2.gz UOFYDZPVLUNYEC-HNNXBMFYSA-N 0 3 357.255 3.402 20 30 FGEDHN N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCN(C2CC2)CC1 ZINC000805855868 725100879 /nfs/dbraw/zinc/10/08/79/725100879.db2.gz OIGOQCVCBJNHSG-CQSZACIVSA-N 0 3 363.820 3.001 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc([S@](C)=O)cc3)nc21 ZINC000805884472 725102258 /nfs/dbraw/zinc/10/22/58/725102258.db2.gz PUAYCTWXVFWNHB-MQNRADLISA-N 0 3 351.431 3.028 20 30 FGEDHN CC(C)(CCC#N)CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000806596957 725136133 /nfs/dbraw/zinc/13/61/33/725136133.db2.gz CMMMKDHUZYZJKT-UHFFFAOYSA-N 0 3 358.555 3.445 20 30 FGEDHN CN(C)CCN1C(=O)C(=NNc2c(F)cccc2Cl)c2ccccc21 ZINC000807985452 725178164 /nfs/dbraw/zinc/17/81/64/725178164.db2.gz IDDICTOCSUGTTH-UHFFFAOYSA-N 0 3 360.820 3.204 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn(CCF)c1 ZINC000808978694 725221883 /nfs/dbraw/zinc/22/18/83/725221883.db2.gz ADGZZZYSDQNQSB-LLVKDONJSA-N 0 3 369.183 3.121 20 30 FGEDHN COC(=O)CCCN1CCC(N=Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000819832989 728947332 /nfs/dbraw/zinc/94/73/32/728947332.db2.gz WGWUWEIDKKHJRD-UHFFFAOYSA-N 0 3 359.257 3.205 20 30 FGEDHN CC(C)[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCCO1 ZINC000815318436 727064031 /nfs/dbraw/zinc/06/40/31/727064031.db2.gz OZMWWTZHRFLEGU-WMLDXEAASA-N 0 3 357.479 3.219 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H]2CCCN(C)C2)s1 ZINC000819314208 727366501 /nfs/dbraw/zinc/36/65/01/727366501.db2.gz ULGUXOPAIMBZRP-ZDUSSCGKSA-N 0 3 373.975 3.391 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(I)cc1C ZINC000876546345 736111952 /nfs/dbraw/zinc/11/19/52/736111952.db2.gz IJWZDEANESKWEI-JTQLQIEISA-N 0 3 364.614 3.008 20 30 FGEDHN C#C[C@@H](NCC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000827569668 729431857 /nfs/dbraw/zinc/43/18/57/729431857.db2.gz CIRAIECXUHOWBL-QGZVFWFLSA-N 0 3 362.267 3.243 20 30 FGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000842284149 730480830 /nfs/dbraw/zinc/48/08/30/730480830.db2.gz GDBBLZKVAQQIKC-BBWFWOEESA-N 0 3 362.857 3.084 20 30 FGEDHN CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368486 730708693 /nfs/dbraw/zinc/70/86/93/730708693.db2.gz VPVJOAIMVRAMJD-QGZVFWFLSA-N 0 3 358.825 3.148 20 30 FGEDHN C#CCN1CCC(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000845002581 730800333 /nfs/dbraw/zinc/80/03/33/730800333.db2.gz KXBZHFCUYDPBLB-UHFFFAOYSA-N 0 3 350.384 3.156 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1ccnc1 ZINC000845442324 730850399 /nfs/dbraw/zinc/85/03/99/730850399.db2.gz DXOHCCSPMBJTES-QMTHXVAHSA-N 0 3 365.220 3.489 20 30 FGEDHN C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010997 730918320 /nfs/dbraw/zinc/91/83/20/730918320.db2.gz PWKWKDWEXKESOJ-HOTGVXAUSA-N 0 3 351.491 3.074 20 30 FGEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000847021950 731008223 /nfs/dbraw/zinc/00/82/23/731008223.db2.gz DEPWBUZHXSPTLM-LSDHHAIUSA-N 0 3 363.299 3.141 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848553755 731180947 /nfs/dbraw/zinc/18/09/47/731180947.db2.gz QINCAGKNQRJGLT-MJVIPROJSA-N 0 3 356.260 3.405 20 30 FGEDHN CO[C@H](C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)C1CCCCC1 ZINC000850977456 731408396 /nfs/dbraw/zinc/40/83/96/731408396.db2.gz VHSAYYJAGXPLIS-AEFFLSMTSA-N 0 3 362.857 3.260 20 30 FGEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000852100294 731543647 /nfs/dbraw/zinc/54/36/47/731543647.db2.gz VUOIDIBVNXNNRZ-GUYCJALGSA-N 0 3 351.288 3.188 20 30 FGEDHN CCC[C@@H](C(=O)C(C#N)C(=O)NCCCOC)c1cccc(Cl)c1 ZINC000860460988 732517572 /nfs/dbraw/zinc/51/75/72/732517572.db2.gz CQNBSASGGBZIOD-CVEARBPZSA-N 0 3 350.846 3.085 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@H](S(=O)(=O)c3ccccc3)C1)CC2 ZINC000866516689 733359131 /nfs/dbraw/zinc/35/91/31/733359131.db2.gz GPBBYCYUHPDCLS-QRFRQXIXSA-N 0 3 352.459 3.140 20 30 FGEDHN CCn1ncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000870144132 733816504 /nfs/dbraw/zinc/81/65/04/733816504.db2.gz ZNGJLFREOACEPT-LLVKDONJSA-N 0 3 365.220 3.479 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCc1nc(-c2cccnc2)cs1 ZINC000876752478 736140294 /nfs/dbraw/zinc/14/02/94/736140294.db2.gz QVQFBQYZIQWLBV-CQSZACIVSA-N 0 3 364.902 3.114 20 30 FGEDHN CCN1CCN(c2cccc(NCc3cc(C#N)cnc3Cl)c2)CC1 ZINC000877402245 736215463 /nfs/dbraw/zinc/21/54/63/736215463.db2.gz AICANHHBBQHZOG-UHFFFAOYSA-N 0 3 355.873 3.361 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1CCC[C@]12CCCO2)c1cccc(Cl)c1 ZINC000880512581 737182448 /nfs/dbraw/zinc/18/24/48/737182448.db2.gz SIGVYWLBBMBWDS-MJGOQNOKSA-N 0 3 361.873 3.278 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H]1CCSc3ccc(Cl)cc31)C2 ZINC000884062707 737629963 /nfs/dbraw/zinc/62/99/63/737629963.db2.gz ZCWOFPXEXGPGMZ-XCQCNWSKSA-N 0 3 361.898 3.132 20 30 FGEDHN CN(Cc1c(Cl)cccc1Cl)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884080473 737631259 /nfs/dbraw/zinc/63/12/59/737631259.db2.gz XLACRXLJGYRGHQ-VMBJYNEYSA-N 0 3 352.265 3.091 20 30 FGEDHN CN(Cc1c(Cl)cccc1Cl)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884080472 737631502 /nfs/dbraw/zinc/63/15/02/737631502.db2.gz XLACRXLJGYRGHQ-JKGQDXBKSA-N 0 3 352.265 3.091 20 30 FGEDHN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884092028 737632227 /nfs/dbraw/zinc/63/22/27/737632227.db2.gz QTGHWZXKKBTMOT-JZLYGMAVSA-N 0 3 352.265 3.091 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NC(c1cccs1)c1cccs1)C2 ZINC000884148441 737638124 /nfs/dbraw/zinc/63/81/24/737638124.db2.gz KOXZPNFBLVPRLB-XYEKJYRLSA-N 0 3 357.504 3.155 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NC1(c3cccc(Cl)c3)CCCC1)C2 ZINC000884166934 737639606 /nfs/dbraw/zinc/63/96/06/737639606.db2.gz PYAJAHMBOIIPQQ-NLGTXKQRSA-N 0 3 357.885 3.365 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(N3CCCC3)c(Cl)c1)C2 ZINC000884207534 737643311 /nfs/dbraw/zinc/64/33/11/737643311.db2.gz YIHGCMKBDLBBRJ-BIWSTMPVSA-N 0 3 358.873 3.018 20 30 FGEDHN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000886402761 739255876 /nfs/dbraw/zinc/25/58/76/739255876.db2.gz YYCQQBLXYNQNHX-UHFFFAOYSA-N 0 3 357.479 3.314 20 30 FGEDHN C#CCN(C(=O)c1cccc(Nc2nccs2)c1)C1CCN(C)CC1 ZINC000886570921 739270381 /nfs/dbraw/zinc/27/03/81/739270381.db2.gz CCDHHNOLOHZFNT-UHFFFAOYSA-N 0 3 354.479 3.056 20 30 FGEDHN C#CCN(C(=O)c1ccc(Cl)c(Br)c1)C1CCN(C)CC1 ZINC000886579735 739271642 /nfs/dbraw/zinc/27/16/42/739271642.db2.gz GSUPGZJEHWLAOE-UHFFFAOYSA-N 0 3 369.690 3.272 20 30 FGEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000892484808 740005604 /nfs/dbraw/zinc/00/56/04/740005604.db2.gz QLPBAURGIKBJEJ-BIMULSAOSA-N 0 3 354.378 3.074 20 30 FGEDHN N#C[C@]1(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)CC12CCCC2 ZINC000899046856 742859897 /nfs/dbraw/zinc/85/98/97/742859897.db2.gz FBVDTOARADSPPC-SFHVURJKSA-N 0 3 357.845 3.124 20 30 FGEDHN C[C@H](NC[C@H](CO)Cc1cccc(Br)c1)c1cc(C#N)ccn1 ZINC000902972749 743794830 /nfs/dbraw/zinc/79/48/30/743794830.db2.gz HERAHTBZRUOVSC-XJKSGUPXSA-N 0 3 374.282 3.218 20 30 FGEDHN C#CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCN(C)CC1 ZINC000902985161 743796069 /nfs/dbraw/zinc/79/60/69/743796069.db2.gz FOQQXFSFSXVDDW-UHFFFAOYSA-N 0 3 355.360 3.147 20 30 FGEDHN CC[C@H](NCc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000903424645 743848707 /nfs/dbraw/zinc/84/87/07/743848707.db2.gz ZPZCEXAVFLTHPK-IBGZPJMESA-N 0 3 357.479 3.195 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCSCC1 ZINC000904595535 743963724 /nfs/dbraw/zinc/96/37/24/743963724.db2.gz JCXUKJZPGGBHIW-SFHVURJKSA-N 0 3 359.539 3.296 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000906592402 744146782 /nfs/dbraw/zinc/14/67/82/744146782.db2.gz NLYIZLCVWNCYBF-UHFFFAOYSA-N 0 3 364.902 3.027 20 30 FGEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1sccc1C)CCO2 ZINC000949095247 762367461 /nfs/dbraw/zinc/36/74/61/762367461.db2.gz CLJVYHMAZMLCOS-IAGOWNOFSA-N 0 3 360.523 3.039 20 30 FGEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000911971757 757241637 /nfs/dbraw/zinc/24/16/37/757241637.db2.gz PFAHEOXDUWGUPL-CYBMUJFWSA-N 0 3 360.376 3.353 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)cc1C ZINC000916873193 758148169 /nfs/dbraw/zinc/14/81/69/758148169.db2.gz QFCIGNOIUURDMX-HNNXBMFYSA-N 0 3 350.846 3.433 20 30 FGEDHN C#CCN(C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl)C1CCN(C)CC1 ZINC000922317690 758891967 /nfs/dbraw/zinc/89/19/67/758891967.db2.gz BBXPTWYXPSZKQW-RHSMWYFYSA-N 0 3 363.864 3.074 20 30 FGEDHN N#C[C@@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000930031660 760515317 /nfs/dbraw/zinc/51/53/17/760515317.db2.gz VZUPARBRMXDSNB-KRWDZBQOSA-N 0 3 358.511 3.045 20 30 FGEDHN Cn1nccc1[C@@H]1CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000932266697 761113830 /nfs/dbraw/zinc/11/38/30/761113830.db2.gz UBEGMAFBDKTVQZ-KRWDZBQOSA-N 0 3 357.845 3.111 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)N(C)C)cc1 ZINC000932901087 761267721 /nfs/dbraw/zinc/26/77/21/761267721.db2.gz ZDNNKBRDMSZLQM-KGLIPLIRSA-N 0 3 374.432 3.155 20 30 FGEDHN CC(C)[C@H](O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940193 761279709 /nfs/dbraw/zinc/27/97/09/761279709.db2.gz OGAJHQQLSJCHIG-OPRDCNLKSA-N 0 3 369.296 3.496 20 30 FGEDHN C[C@H](N[C@H]1CCOC12CCCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000934386973 761619734 /nfs/dbraw/zinc/61/97/34/761619734.db2.gz ATBGXCXJSTYLAX-LRDDRELGSA-N 0 3 359.495 3.127 20 30 FGEDHN C=CCN1CCC(NC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)CC1 ZINC000934553057 761656506 /nfs/dbraw/zinc/65/65/06/761656506.db2.gz YYDZVPUOFRDTAO-UHFFFAOYSA-N 0 3 369.378 3.446 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC000981776659 763524132 /nfs/dbraw/zinc/52/41/32/763524132.db2.gz VAKTZDGKQUGTTM-MSOLQXFVSA-N 0 3 360.523 3.154 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC000982174260 763574332 /nfs/dbraw/zinc/57/43/32/763574332.db2.gz YPIFRSAKCZFOSG-OALUTQOASA-N 0 3 362.539 3.196 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C2CCN(C[C@H](F)CC)CC2)CC1 ZINC001000158113 765202320 /nfs/dbraw/zinc/20/23/20/765202320.db2.gz PWCUDGPZCATFEF-KURKYZTESA-N 0 3 352.494 3.077 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001018865061 765845908 /nfs/dbraw/zinc/84/59/08/765845908.db2.gz FKMOMLVGJKJBAN-DAYGRLMNSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001018865792 765846438 /nfs/dbraw/zinc/84/64/38/765846438.db2.gz SDSAIQXDZYIQQX-CFVMTHIKSA-N 0 3 354.903 3.073 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001027613452 766102410 /nfs/dbraw/zinc/10/24/10/766102410.db2.gz XRJHBFRRBNMUOY-FHWLQOOXSA-N 0 3 362.539 3.461 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccc(C)cc1Cl ZINC001035057845 766254551 /nfs/dbraw/zinc/25/45/51/766254551.db2.gz XUIXFIFQIHGXRG-LMMKCTJWSA-N 0 3 362.901 3.320 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C2CCN(C/C=C/Cl)CC2)C1 ZINC001047258995 766634681 /nfs/dbraw/zinc/63/46/81/766634681.db2.gz JEFIBCSIJQXWLX-KXPVYJMFSA-N 0 3 366.933 3.281 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001049485364 766788388 /nfs/dbraw/zinc/78/83/88/766788388.db2.gz MVUWRPPSJFDPHG-XWSJACJDSA-N 0 3 360.523 3.295 20 30 FGEDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248770124 257369829 /nfs/dbraw/zinc/36/98/29/257369829.db2.gz SLRKCACLLFFTTH-AABGKKOBSA-N 0 3 355.482 3.237 20 30 FGEDHN Cc1nc(CN2CCC[C@@H](N[C@H](C)c3ccc(C#N)cc3Cl)C2)no1 ZINC000376045136 257437888 /nfs/dbraw/zinc/43/78/88/257437888.db2.gz DKWLTKCZISJGAE-IUODEOHRSA-N 0 3 359.861 3.218 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccnn1-c1ccccn1)C(C)C ZINC000570775441 505577294 /nfs/dbraw/zinc/57/72/94/505577294.db2.gz LWMONDGHMMKXRP-QGZVFWFLSA-N 0 3 368.485 3.087 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2C[C@H](O)C2(C)C)c1C#N ZINC000576766583 505589973 /nfs/dbraw/zinc/58/99/73/505589973.db2.gz ZTKVSSMRWOOMNR-MSOLQXFVSA-N 0 3 372.513 3.169 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)n2)N(C)C)cc1 ZINC000570840005 505592552 /nfs/dbraw/zinc/59/25/52/505592552.db2.gz RDZHCHBKUIAUKV-MRXNPFEDSA-N 0 3 355.467 3.100 20 30 FGEDHN N#Cc1cccc(CNC[C@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000573794313 505622733 /nfs/dbraw/zinc/62/27/33/505622733.db2.gz DIVPDOLAURUZHS-HNNXBMFYSA-N 0 3 350.340 3.107 20 30 FGEDHN Cc1csc2ncc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)c(=O)n12 ZINC000576925568 505626318 /nfs/dbraw/zinc/62/63/18/505626318.db2.gz VHZVFNXKJYPPLY-SNVBAGLBSA-N 0 3 372.475 3.309 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)C[C@H](C)OC)cc1OC ZINC000577104642 505664630 /nfs/dbraw/zinc/66/46/30/505664630.db2.gz PANWFPJLAHMSFR-LBPRGKRZSA-N 0 3 358.276 3.489 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC[C@@H]2CCc3ccccc32)c1 ZINC000571197966 505677638 /nfs/dbraw/zinc/67/76/38/505677638.db2.gz BXBALKSUPRBWJA-SFHVURJKSA-N 0 3 354.475 3.042 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)N(C)C1CC1 ZINC000057701475 493788085 /nfs/dbraw/zinc/78/80/85/493788085.db2.gz ZOIUIZRZYVRQBJ-INIZCTEOSA-N 0 3 363.461 3.350 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](COCc2ccccc2)C1 ZINC000075864843 493788560 /nfs/dbraw/zinc/78/85/60/493788560.db2.gz XEQLTXSAHYHKMW-HXUWFJFHSA-N 0 3 366.461 3.484 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCCN(c3ncccn3)C2)ccc1OC ZINC000057964760 493817877 /nfs/dbraw/zinc/81/78/77/493817877.db2.gz XXGXXHAQKUOHMS-GOSISDBHSA-N 0 3 368.481 3.199 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029178160 493823554 /nfs/dbraw/zinc/82/35/54/493823554.db2.gz CIZULFXZOYDXAB-DYESRHJHSA-N 0 3 363.461 3.279 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000030532522 493895716 /nfs/dbraw/zinc/89/57/16/493895716.db2.gz IHRXDKGCYIPXDB-JXFKEZNVSA-N 0 3 366.461 3.386 20 30 FGEDHN CCn1nc(C)c(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000068991068 493903855 /nfs/dbraw/zinc/90/38/55/493903855.db2.gz BMLXPDJVBPBLGP-QGZVFWFLSA-N 0 3 355.461 3.289 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNCCOC[C@H]2CCOC2)c1 ZINC000068994690 493904310 /nfs/dbraw/zinc/90/43/10/493904310.db2.gz CBUQNYUFZHTKCZ-IBGZPJMESA-N 0 3 366.461 3.280 20 30 FGEDHN CC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n(C)c1 ZINC000051655646 493981129 /nfs/dbraw/zinc/98/11/29/493981129.db2.gz LMFABHKFWGDJBV-LBPRGKRZSA-N 0 3 356.332 3.463 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCN(C)Cc1ccccc1 ZINC000063403326 494051599 /nfs/dbraw/zinc/05/15/99/494051599.db2.gz PESGCESJAWVTRX-UHFFFAOYSA-N 0 3 362.477 3.388 20 30 FGEDHN COC(=O)CCN(CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000063513203 494062534 /nfs/dbraw/zinc/06/25/34/494062534.db2.gz FJIIUNXRNCBUAI-UHFFFAOYSA-N 0 3 371.462 3.014 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cc(F)ccc1F ZINC000053055693 494088450 /nfs/dbraw/zinc/08/84/50/494088450.db2.gz MSLIICMITVNQCH-UHFFFAOYSA-N 0 3 371.431 3.359 20 30 FGEDHN C=CCc1ccc(OCC(=O)N(CC(C)C)C2CCN(C)CC2)c(OC)c1 ZINC000053223724 494106580 /nfs/dbraw/zinc/10/65/80/494106580.db2.gz ABDUTFDWNJWYIV-UHFFFAOYSA-N 0 3 374.525 3.381 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(CCC(C)(C)C)CC1 ZINC000077589521 494123037 /nfs/dbraw/zinc/12/30/37/494123037.db2.gz DDTLUTHADSCENE-FQEVSTJZSA-N 0 3 360.542 3.209 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000053404928 494127206 /nfs/dbraw/zinc/12/72/06/494127206.db2.gz VDJDDIFORHISGC-INIZCTEOSA-N 0 3 359.539 3.418 20 30 FGEDHN Cc1csc(NC(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000054236750 494211796 /nfs/dbraw/zinc/21/17/96/494211796.db2.gz GDJXEZOMRCAHIX-UHFFFAOYSA-N 0 3 370.478 3.053 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1Cc2ccccc2S1 ZINC000065930733 494257118 /nfs/dbraw/zinc/25/71/18/494257118.db2.gz KCPWZKUCHQJBAL-HXUWFJFHSA-N 0 3 365.502 3.165 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000065931615 494258136 /nfs/dbraw/zinc/25/81/36/494258136.db2.gz HTQMXFXVVLPIEW-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN CCOc1ccc([C@@H]2C[C@H]2NC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000568502282 505710745 /nfs/dbraw/zinc/71/07/45/505710745.db2.gz MAYWJIKWXVTQIK-YUXAGFNASA-N 0 3 366.461 3.037 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2ccccn2)no1)C(C)C ZINC000073640575 494405457 /nfs/dbraw/zinc/40/54/57/494405457.db2.gz OFMSMRFDXDCSKS-SFHVURJKSA-N 0 3 354.454 3.165 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1CCCC[C@@H]1CCc1ccccc1 ZINC000090010383 494428206 /nfs/dbraw/zinc/42/82/06/494428206.db2.gz RYCIJGDJNMGFBB-HXUWFJFHSA-N 0 3 352.482 3.130 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1CCCC[C@H]1CCc1ccccc1 ZINC000090010382 494428517 /nfs/dbraw/zinc/42/85/17/494428517.db2.gz RYCIJGDJNMGFBB-FQEVSTJZSA-N 0 3 352.482 3.130 20 30 FGEDHN Cc1occc1C(=O)NC1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000066890331 494433152 /nfs/dbraw/zinc/43/31/52/494433152.db2.gz DUPBINDNCKDECD-UHFFFAOYSA-N 0 3 367.449 3.123 20 30 FGEDHN CC(C)NC(=O)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905498 494436120 /nfs/dbraw/zinc/43/61/20/494436120.db2.gz FZSRAKNIFSYVEF-UHFFFAOYSA-N 0 3 351.450 3.142 20 30 FGEDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000045678250 494451310 /nfs/dbraw/zinc/45/13/10/494451310.db2.gz JVNWDIYNMYMNMK-UHFFFAOYSA-N 0 3 356.495 3.202 20 30 FGEDHN N#Cc1cc(NC[C@H](c2cccs2)N2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000577394020 505719741 /nfs/dbraw/zinc/71/97/41/505719741.db2.gz DUVDHPQDHROBPT-OAHLLOKOSA-N 0 3 357.439 3.359 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000074128112 494485996 /nfs/dbraw/zinc/48/59/96/494485996.db2.gz PJDLGKDZOCGNCQ-IBGZPJMESA-N 0 3 366.440 3.113 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000074289026 494511323 /nfs/dbraw/zinc/51/13/23/494511323.db2.gz PFTNIWJFKSXWFL-KRWDZBQOSA-N 0 3 364.367 3.449 20 30 FGEDHN COC(=O)[C@@H](C)[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000079922353 494549973 /nfs/dbraw/zinc/54/99/73/494549973.db2.gz IRHKPKODZPKZTQ-MGPUTAFESA-N 0 3 365.433 3.027 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000046708297 494554817 /nfs/dbraw/zinc/55/48/17/494554817.db2.gz SBYPOISDCCKKKN-LJQANCHMSA-N 0 3 351.450 3.136 20 30 FGEDHN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000046787776 494566696 /nfs/dbraw/zinc/56/66/96/494566696.db2.gz GKBLIRIBRASEBO-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN C[C@@H]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000056817245 494569244 /nfs/dbraw/zinc/56/92/44/494569244.db2.gz FFMSPZYVKPJUHW-YLJYHZDGSA-N 0 3 356.514 3.458 20 30 FGEDHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000091247091 494573098 /nfs/dbraw/zinc/57/30/98/494573098.db2.gz JRZBABXWAAEBIV-FQEVSTJZSA-N 0 3 362.477 3.461 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)N(C)C)cc1 ZINC000067665777 494606036 /nfs/dbraw/zinc/60/60/36/494606036.db2.gz YKJLFGKEACXYTH-LJQANCHMSA-N 0 3 352.438 3.322 20 30 FGEDHN CCc1ccc(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010958 494617367 /nfs/dbraw/zinc/61/73/67/494617367.db2.gz RXMIVBCSCZKZJP-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc1OC ZINC000092706314 494718799 /nfs/dbraw/zinc/71/87/99/494718799.db2.gz NSTHGUWILPMNFL-GOSISDBHSA-N 0 3 360.498 3.244 20 30 FGEDHN CCCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000121391336 494735932 /nfs/dbraw/zinc/73/59/32/494735932.db2.gz QNCPIQGUBYBSSE-IBGZPJMESA-N 0 3 350.466 3.403 20 30 FGEDHN CN(CCC#N)C(=O)CCNC1(c2ccc(Br)cc2)CCC1 ZINC000092803053 494753035 /nfs/dbraw/zinc/75/30/35/494753035.db2.gz HGTSCPNFZLDCKX-UHFFFAOYSA-N 0 3 364.287 3.180 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000075437171 494763611 /nfs/dbraw/zinc/76/36/11/494763611.db2.gz NOWKKDLTGXMKNK-HXUWFJFHSA-N 0 3 366.440 3.334 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NCCN2CCC[C@@H](C)C2)c1C#N ZINC000068122158 494769558 /nfs/dbraw/zinc/76/95/58/494769558.db2.gz ZABWCYMGRREMNP-CYBMUJFWSA-N 0 3 358.511 3.014 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](Cn3ccnn3)C2)ccc1OC ZINC000092070942 494778142 /nfs/dbraw/zinc/77/81/42/494778142.db2.gz YMIIYQPMYSAFFC-SFHVURJKSA-N 0 3 356.470 3.154 20 30 FGEDHN CN(CCOc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867060 494785177 /nfs/dbraw/zinc/78/51/77/494785177.db2.gz INJMUJFRQJZISJ-GOSISDBHSA-N 0 3 374.868 3.157 20 30 FGEDHN COc1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000026225083 494811460 /nfs/dbraw/zinc/81/14/60/494811460.db2.gz XRGBRZRRXUSMTK-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN C[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000093128628 494829403 /nfs/dbraw/zinc/82/94/03/494829403.db2.gz BUOXBANIJDCXHU-MRXNPFEDSA-N 0 3 363.465 3.230 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C2CCCC2)CC1 ZINC000027119793 494852937 /nfs/dbraw/zinc/85/29/37/494852937.db2.gz UNWOLHSYBXZJIG-CQSZACIVSA-N 0 3 360.889 3.099 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1Cl ZINC000116817629 494857115 /nfs/dbraw/zinc/85/71/15/494857115.db2.gz IYPGUQJMLIJCFA-UHFFFAOYSA-N 0 3 373.840 3.170 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093302189 494864357 /nfs/dbraw/zinc/86/43/57/494864357.db2.gz CIWRECMGBWUOBT-UHFFFAOYSA-N 0 3 353.401 3.130 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CN2CCCCC2)c1C#N ZINC000027757744 494884074 /nfs/dbraw/zinc/88/40/74/494884074.db2.gz KSDIMBMAPMSVTH-CYBMUJFWSA-N 0 3 358.511 3.157 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093611343 494904074 /nfs/dbraw/zinc/90/40/74/494904074.db2.gz PIERLYZQNITXAE-SFHVURJKSA-N 0 3 359.477 3.302 20 30 FGEDHN N#Cc1ccc2ncc(CN(CCCO)[C@H]3CCCc4ccccc43)n2c1 ZINC000093741274 494915979 /nfs/dbraw/zinc/91/59/79/494915979.db2.gz ZUVCAEHNBUKGKH-NRFANRHFSA-N 0 3 360.461 3.468 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@](C)(CO)C2CCCCC2)c1C ZINC000132990613 494954068 /nfs/dbraw/zinc/95/40/68/494954068.db2.gz ODSYKXIYOYRIJE-QFIPXVFZSA-N 0 3 371.525 3.471 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)C(C)C ZINC000122443320 494975537 /nfs/dbraw/zinc/97/55/37/494975537.db2.gz IYAXLSVDIYKVTB-LJQANCHMSA-N 0 3 371.456 3.096 20 30 FGEDHN Cn1ccnc1[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000127673417 494979443 /nfs/dbraw/zinc/97/94/43/494979443.db2.gz ADGZGCNBYYNVFZ-APWZRJJASA-N 0 3 353.445 3.141 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000118987969 495065523 /nfs/dbraw/zinc/06/55/23/495065523.db2.gz OHQUSEVKRUJAAJ-UHFFFAOYSA-N 0 3 370.541 3.171 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nc2c1c(C)nn2C)C(C)C ZINC000101684460 495091068 /nfs/dbraw/zinc/09/10/68/495091068.db2.gz RALYAYCZSNJLOP-GOSISDBHSA-N 0 3 369.513 3.014 20 30 FGEDHN CCc1nnc(NCc2ccccc2OCCN(C)C)c(C#N)c1CC ZINC000123513942 495144347 /nfs/dbraw/zinc/14/43/47/495144347.db2.gz WYPDKBBRZZOZSN-UHFFFAOYSA-N 0 3 353.470 3.026 20 30 FGEDHN N#Cc1cnn2c1NC[C@@H](CN1CCC(F)(c3cccc(Cl)c3)CC1)C2 ZINC000577610328 505764506 /nfs/dbraw/zinc/76/45/06/505764506.db2.gz CWKILXZUBYCPIS-AWEZNQCLSA-N 0 3 373.863 3.411 20 30 FGEDHN Cc1sc(NC(=O)CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000134911496 495221569 /nfs/dbraw/zinc/22/15/69/495221569.db2.gz CACNCTZWUOCMHE-QAPCUYQASA-N 0 3 372.538 3.124 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(CN(C)C)c1 ZINC000129429436 495244002 /nfs/dbraw/zinc/24/40/02/495244002.db2.gz FAWXXHFXQCQPMX-OAQYLSRUSA-N 0 3 365.477 3.340 20 30 FGEDHN N#CC(C(=O)c1ccc(I)c(F)c1)c1ccccn1 ZINC000103798369 495256779 /nfs/dbraw/zinc/25/67/79/495256779.db2.gz IZDJPDQQWIPKEF-SNVBAGLBSA-N 0 3 366.133 3.315 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(F)c(NC(C)=O)c1)C(C)C ZINC000112919913 495258202 /nfs/dbraw/zinc/25/82/02/495258202.db2.gz WGFRMAFMGFTXDD-IBGZPJMESA-N 0 3 361.461 3.213 20 30 FGEDHN C#CCOc1ccc(CNCc2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000113318916 495296454 /nfs/dbraw/zinc/29/64/54/495296454.db2.gz BQFVTAHDBIVUFW-UHFFFAOYSA-N 0 3 350.462 3.470 20 30 FGEDHN Cc1ccccc1OC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716252 495300439 /nfs/dbraw/zinc/30/04/39/495300439.db2.gz BXNVGHMSDPKEAF-IBGZPJMESA-N 0 3 366.461 3.150 20 30 FGEDHN C=CCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1 ZINC000105938198 495395552 /nfs/dbraw/zinc/39/55/52/495395552.db2.gz YEFXNIIPDWMUCX-UHFFFAOYSA-N 0 3 374.506 3.004 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCNc2cc(Cl)ccc2OC)CC1 ZINC000106034147 495404868 /nfs/dbraw/zinc/40/48/68/495404868.db2.gz KZCVKZJHLOUPSE-UHFFFAOYSA-N 0 3 365.905 3.307 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cnc2Cl)CC1 ZINC000106035144 495406118 /nfs/dbraw/zinc/40/61/18/495406118.db2.gz QOZHXOMHWNYUTK-UHFFFAOYSA-N 0 3 372.694 3.268 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(Cc3ccccc3)c2CC)CC1 ZINC000106036324 495406310 /nfs/dbraw/zinc/40/63/10/495406310.db2.gz JZOHTLHGSIBUDP-UHFFFAOYSA-N 0 3 366.509 3.264 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 ZINC000106038150 495406406 /nfs/dbraw/zinc/40/64/06/495406406.db2.gz ITBSKAGNKBMBBU-UHFFFAOYSA-N 0 3 355.486 3.091 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)ccc2Br)CC1 ZINC000106040390 495406876 /nfs/dbraw/zinc/40/68/76/495406876.db2.gz ZRNMAYNGMFSSGD-UHFFFAOYSA-N 0 3 367.287 3.228 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000106039229 495407219 /nfs/dbraw/zinc/40/72/19/495407219.db2.gz SYYNZKGHKGJSJD-HXUWFJFHSA-N 0 3 358.482 3.015 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000574475514 505781270 /nfs/dbraw/zinc/78/12/70/505781270.db2.gz XTZVKRRMGMAWED-USWSCHJFSA-N 0 3 354.498 3.451 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2OC(F)F)CC1 ZINC000106256719 495439941 /nfs/dbraw/zinc/43/99/41/495439941.db2.gz KYKYSGMRNKLBSK-UHFFFAOYSA-N 0 3 353.413 3.128 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N(C)C(=O)OC)cc2)CC1 ZINC000106323510 495444866 /nfs/dbraw/zinc/44/48/66/495444866.db2.gz LTGLRIVQCMXNRR-UHFFFAOYSA-N 0 3 360.458 3.051 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2occc21 ZINC000120840869 495469469 /nfs/dbraw/zinc/46/94/69/495469469.db2.gz XIGBNGUYGOYEPP-IBGZPJMESA-N 0 3 366.465 3.302 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1OCCN(C)C ZINC000120904000 495482262 /nfs/dbraw/zinc/48/22/62/495482262.db2.gz KVOMNSJWJAHRAU-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN CCN1CCC[C@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115321356 495490379 /nfs/dbraw/zinc/49/03/79/495490379.db2.gz GVMCNLOMWLZHJM-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115359172 495495105 /nfs/dbraw/zinc/49/51/05/495495105.db2.gz SLSCIRFPLCABBA-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN O=C(CN(CC1CC1)CC1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000115563114 495517711 /nfs/dbraw/zinc/51/77/11/495517711.db2.gz GUHKYPAVVOVQHO-UHFFFAOYSA-N 0 3 364.411 3.295 20 30 FGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C2CCC(C)CC2)CC1 ZINC000115567331 495518287 /nfs/dbraw/zinc/51/82/87/495518287.db2.gz LJKRDZXBQJEFJP-HFCFLWKCSA-N 0 3 354.498 3.082 20 30 FGEDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182538485 495604321 /nfs/dbraw/zinc/60/43/21/495604321.db2.gz SYLSJNJETCBOQD-CQSZACIVSA-N 0 3 350.422 3.196 20 30 FGEDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000185567135 495624014 /nfs/dbraw/zinc/62/40/14/495624014.db2.gz FUURJVWAFOPZDO-HXGKLIQLSA-N 0 3 369.509 3.460 20 30 FGEDHN N#Cc1ccc2ncc(CNCCN3CCC4(CCCCC4)CC3)n2c1 ZINC000568854630 505793513 /nfs/dbraw/zinc/79/35/13/505793513.db2.gz CHSSERMPYQMHTH-UHFFFAOYSA-N 0 3 351.498 3.342 20 30 FGEDHN COC(=O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000154487487 495631245 /nfs/dbraw/zinc/63/12/45/495631245.db2.gz AGZDBYOKFGNUJM-OAQYLSRUSA-N 0 3 363.461 3.027 20 30 FGEDHN COC(=O)c1cc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)oc1C ZINC000182663878 495654467 /nfs/dbraw/zinc/65/44/67/495654467.db2.gz OSNFDFXAFVQDDD-UHFFFAOYSA-N 0 3 369.421 3.121 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2coc(-c3ccccc3)n2)CC1 ZINC000176500485 495674672 /nfs/dbraw/zinc/67/46/72/495674672.db2.gz AYEOHFIZNWHWOK-UHFFFAOYSA-N 0 3 354.454 3.181 20 30 FGEDHN COCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000154880970 495759338 /nfs/dbraw/zinc/75/93/38/495759338.db2.gz CYOYXWWBTQLOTM-UHFFFAOYSA-N 0 3 360.502 3.435 20 30 FGEDHN COc1ccccc1C[C@@H](NCC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000185875450 495760830 /nfs/dbraw/zinc/76/08/30/495760830.db2.gz XAONRZIULIEGJS-GOSISDBHSA-N 0 3 357.498 3.195 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000179874083 495766276 /nfs/dbraw/zinc/76/62/76/495766276.db2.gz BILBGLSARCCNBS-NRFANRHFSA-N 0 3 372.472 3.381 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000155117461 495842598 /nfs/dbraw/zinc/84/25/98/495842598.db2.gz JVIBTCOQZGILPX-CSKARUKUSA-N 0 3 368.868 3.210 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3cccc(F)c3C#N)c(C)c2)CC1 ZINC000186181504 495887363 /nfs/dbraw/zinc/88/73/63/495887363.db2.gz ZPBQRXTWZAQACM-UHFFFAOYSA-N 0 3 366.440 3.400 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180215906 495911827 /nfs/dbraw/zinc/91/18/27/495911827.db2.gz XYZCICIRFYQBLT-ZFWWWQNUSA-N 0 3 371.387 3.151 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000174374599 495932551 /nfs/dbraw/zinc/93/25/51/495932551.db2.gz GPFPWHQOVBOBRM-DLBZAZTESA-N 0 3 365.481 3.254 20 30 FGEDHN C[C@@H](N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1(C)CC1 ZINC000177252517 495994387 /nfs/dbraw/zinc/99/43/87/495994387.db2.gz SWWGHHKKWQOMEU-CQSZACIVSA-N 0 3 352.400 3.294 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ccccc2OC(F)(F)F)CC1 ZINC000171715328 496003889 /nfs/dbraw/zinc/00/38/89/496003889.db2.gz LQIZVGKDIYXCSC-UHFFFAOYSA-N 0 3 356.388 3.284 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000171721263 496007477 /nfs/dbraw/zinc/00/74/77/496007477.db2.gz DHKWENIIWABYHO-UHFFFAOYSA-N 0 3 353.466 3.349 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCCOC)c(Cl)c2)CC1 ZINC000171741032 496015717 /nfs/dbraw/zinc/01/57/17/496015717.db2.gz YJIOJDZPODFSQO-UHFFFAOYSA-N 0 3 367.877 3.137 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)CCOc2cccc(Cl)c2)CC1 ZINC000171740800 496015829 /nfs/dbraw/zinc/01/58/29/496015829.db2.gz OZMGRYSMQVYVCP-UHFFFAOYSA-N 0 3 351.878 3.011 20 30 FGEDHN CN(C)CCN(Cc1ccco1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160685295 496019380 /nfs/dbraw/zinc/01/93/80/496019380.db2.gz KYFBMFVWGHZZBU-LJQANCHMSA-N 0 3 354.454 3.398 20 30 FGEDHN COC(=O)[C@H](C)[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000152046735 496031919 /nfs/dbraw/zinc/03/19/19/496031919.db2.gz VAECKOWDHJEWSB-CXAGYDPISA-N 0 3 371.462 3.088 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccc(-n2cccn2)c1 ZINC000183574037 496036405 /nfs/dbraw/zinc/03/64/05/496036405.db2.gz LIWAOMUHDNIEEV-CQSZACIVSA-N 0 3 365.462 3.485 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180551269 496041457 /nfs/dbraw/zinc/04/14/57/496041457.db2.gz ACGHMOAOTGRBNV-OAHLLOKOSA-N 0 3 373.478 3.201 20 30 FGEDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180551286 496042110 /nfs/dbraw/zinc/04/21/10/496042110.db2.gz ACGHMOAOTGRBNV-HNNXBMFYSA-N 0 3 373.478 3.201 20 30 FGEDHN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180559094 496044149 /nfs/dbraw/zinc/04/41/49/496044149.db2.gz UGFRLXRHSDDGCQ-OAHLLOKOSA-N 0 3 353.422 3.104 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1Cl ZINC000160996727 496082165 /nfs/dbraw/zinc/08/21/65/496082165.db2.gz OQWGMRGMRSPXBR-UHFFFAOYSA-N 0 3 372.856 3.203 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000174769592 496099426 /nfs/dbraw/zinc/09/94/26/496099426.db2.gz SGOSWYCKZQRIOQ-KRWDZBQOSA-N 0 3 367.497 3.273 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000161181925 496121731 /nfs/dbraw/zinc/12/17/31/496121731.db2.gz AMEXEQHHFIGOOJ-UHFFFAOYSA-N 0 3 367.428 3.473 20 30 FGEDHN N#Cc1ccccc1OCCN[C@@H](CO)c1cccc(Br)c1 ZINC000183894157 496150858 /nfs/dbraw/zinc/15/08/58/496150858.db2.gz XRGWDYAHQOSLDX-INIZCTEOSA-N 0 3 361.239 3.023 20 30 FGEDHN COCCCN(C)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000152494137 496168400 /nfs/dbraw/zinc/16/84/00/496168400.db2.gz DZTQXTOEGDHMJW-UHFFFAOYSA-N 0 3 367.449 3.049 20 30 FGEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1OCC#N ZINC000174927213 496168634 /nfs/dbraw/zinc/16/86/34/496168634.db2.gz GNMUYLFAINMSIO-IBGZPJMESA-N 0 3 363.461 3.183 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(Cc3ccccc3F)n2)CC1 ZINC000172120207 496173783 /nfs/dbraw/zinc/17/37/83/496173783.db2.gz HPJJELHXYJNRMV-UHFFFAOYSA-N 0 3 359.470 3.253 20 30 FGEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000177727793 496174902 /nfs/dbraw/zinc/17/49/02/496174902.db2.gz BRZAXFUJZMPTDG-HAWMADMCSA-N 0 3 369.490 3.317 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180930257 496204936 /nfs/dbraw/zinc/20/49/36/496204936.db2.gz PHUBMCBCHVAJMI-KRWDZBQOSA-N 0 3 361.449 3.055 20 30 FGEDHN COc1ccc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 ZINC000161753328 496232654 /nfs/dbraw/zinc/23/26/54/496232654.db2.gz KPDUXHSQWKTMHJ-OAHLLOKOSA-N 0 3 366.465 3.290 20 30 FGEDHN CCS(=O)(=O)c1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000181025865 496245784 /nfs/dbraw/zinc/24/57/84/496245784.db2.gz MIJIKQHBLMXTOX-UHFFFAOYSA-N 0 3 371.506 3.120 20 30 FGEDHN CN(C(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1)C1(C#N)CCCCC1 ZINC000181204868 496310493 /nfs/dbraw/zinc/31/04/93/496310493.db2.gz CKOOVVHRWBWTDH-QUCCMNQESA-N 0 3 369.509 3.429 20 30 FGEDHN C=CCOCCCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000153028041 496331034 /nfs/dbraw/zinc/33/10/34/496331034.db2.gz KODKSJVENDTULW-IBGZPJMESA-N 0 3 368.481 3.251 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000184335504 496340348 /nfs/dbraw/zinc/34/03/48/496340348.db2.gz NGJFZYHGGLURRQ-AEFFLSMTSA-N 0 3 366.465 3.272 20 30 FGEDHN C=CCn1c(SCCCN2CCN(C)CC2)nnc1-c1cccc(C)c1 ZINC000181309087 496348271 /nfs/dbraw/zinc/34/82/71/496348271.db2.gz KLEGDACOTISLJF-UHFFFAOYSA-N 0 3 371.554 3.169 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc2)CC1 ZINC000172595880 496357546 /nfs/dbraw/zinc/35/75/46/496357546.db2.gz FEMXUAYKJZNVFP-UHFFFAOYSA-N 0 3 373.460 3.213 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000172682529 496385485 /nfs/dbraw/zinc/38/54/85/496385485.db2.gz VGWZCCRGSLFBHC-YLJYHZDGSA-N 0 3 353.491 3.362 20 30 FGEDHN C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181421209 496388757 /nfs/dbraw/zinc/38/87/57/496388757.db2.gz SYLPVLSIFQZFAO-GCJKJVERSA-N 0 3 365.477 3.313 20 30 FGEDHN C[C@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000181449217 496399968 /nfs/dbraw/zinc/39/99/68/496399968.db2.gz HQVPYWXPLXFIIR-KRWDZBQOSA-N 0 3 352.457 3.170 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181616138 496471713 /nfs/dbraw/zinc/47/17/13/496471713.db2.gz QBFNCHGROAPNFO-GOSISDBHSA-N 0 3 369.421 3.117 20 30 FGEDHN N#Cc1cccc(OCCNc2ccccc2CN2CCC(CO)CC2)c1 ZINC000172895993 496480542 /nfs/dbraw/zinc/48/05/42/496480542.db2.gz JQMGHDSIODSPGO-UHFFFAOYSA-N 0 3 365.477 3.253 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000178562393 496499815 /nfs/dbraw/zinc/49/98/15/496499815.db2.gz ISYVWORRJDLHOS-UHFFFAOYSA-N 0 3 358.511 3.350 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178572511 496503635 /nfs/dbraw/zinc/50/36/35/496503635.db2.gz QVLRACNTJUPBDT-IYBDPMFKSA-N 0 3 370.497 3.220 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000163551226 496531866 /nfs/dbraw/zinc/53/18/66/496531866.db2.gz QRRUSUSJMMFWGV-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN CCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184800443 496537524 /nfs/dbraw/zinc/53/75/24/496537524.db2.gz HUSIESRPLQURHI-FQEVSTJZSA-N 0 3 359.477 3.302 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000178778974 496567911 /nfs/dbraw/zinc/56/79/11/496567911.db2.gz QMUJUYXDKWRYKN-YLJYHZDGSA-N 0 3 357.498 3.104 20 30 FGEDHN COC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(C)o1 ZINC000181848078 496570732 /nfs/dbraw/zinc/57/07/32/496570732.db2.gz MNCFPDZTGCIACP-FQEVSTJZSA-N 0 3 353.466 3.401 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000163959701 496574149 /nfs/dbraw/zinc/57/41/49/496574149.db2.gz DBHPFSYOMZRUDJ-UHFFFAOYSA-N 0 3 351.450 3.094 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)CC1 ZINC000187800309 496577170 /nfs/dbraw/zinc/57/71/70/496577170.db2.gz KTVLGUHAWBNGQW-ZDUSSCGKSA-N 0 3 356.388 3.239 20 30 FGEDHN CC[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Oc1cccc(C)c1 ZINC000578063873 505853641 /nfs/dbraw/zinc/85/36/41/505853641.db2.gz DEUJATKURYQKIH-GOSISDBHSA-N 0 3 372.490 3.088 20 30 FGEDHN C[C@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181915986 496598644 /nfs/dbraw/zinc/59/86/44/496598644.db2.gz HUFKAWMMPNRFSQ-DZGCQCFKSA-N 0 3 371.387 3.323 20 30 FGEDHN C[C@](C#N)(NC(=O)CN[C@@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000184979974 496609421 /nfs/dbraw/zinc/60/94/21/496609421.db2.gz XTDOHVRAMSNUIT-FXAWDEMLSA-N 0 3 353.491 3.430 20 30 FGEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)oc1CC ZINC000158163374 496641767 /nfs/dbraw/zinc/64/17/67/496641767.db2.gz SXHFRKQJJBCTBZ-UHFFFAOYSA-N 0 3 353.466 3.480 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)Nc2ccn(CCC#N)n2)N2CCCC2)cc1 ZINC000173342982 496649885 /nfs/dbraw/zinc/64/98/85/496649885.db2.gz KPAREQMXDSHMQW-GOSISDBHSA-N 0 3 366.469 3.064 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Cl)c(N)cc1OC)C(C)C ZINC000165201635 496652203 /nfs/dbraw/zinc/65/22/03/496652203.db2.gz ZHPRGXKFXNHLFP-KRWDZBQOSA-N 0 3 365.905 3.359 20 30 FGEDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(C#N)cc1 ZINC000188097038 496682512 /nfs/dbraw/zinc/68/25/12/496682512.db2.gz XYIAGNVZHXBIFP-INIZCTEOSA-N 0 3 369.490 3.291 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(CC#N)cc1 ZINC000580890365 505862297 /nfs/dbraw/zinc/86/22/97/505862297.db2.gz KUEMFDZWRNUSQI-UHFFFAOYSA-N 0 3 356.495 3.088 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000191411836 496754100 /nfs/dbraw/zinc/75/41/00/496754100.db2.gz RDZTZDYGUTYGHL-CQSZACIVSA-N 0 3 372.498 3.483 20 30 FGEDHN CN(C)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188681431 496874520 /nfs/dbraw/zinc/87/45/20/496874520.db2.gz LBNWEVZGPOESJW-KRWDZBQOSA-N 0 3 367.453 3.189 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000264402546 496893205 /nfs/dbraw/zinc/89/32/05/496893205.db2.gz QQGABMPKALPSFG-UHFFFAOYSA-N 0 3 357.498 3.322 20 30 FGEDHN CC(=O)[C@H](C)CCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000269308018 496916827 /nfs/dbraw/zinc/91/68/27/496916827.db2.gz XKHPDWGESJWFHS-QGZVFWFLSA-N 0 3 357.498 3.234 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CC[C@H](N3CCCCC3)C2)c2ccccc21 ZINC000264564235 496930886 /nfs/dbraw/zinc/93/08/86/496930886.db2.gz GBBYUKVLSVASLE-SFHVURJKSA-N 0 3 364.493 3.298 20 30 FGEDHN C[C@H](CCc1cccc(F)c1)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000248387752 496990888 /nfs/dbraw/zinc/99/08/88/496990888.db2.gz PUPYNBONIXOHEO-CVEARBPZSA-N 0 3 353.445 3.019 20 30 FGEDHN Cc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000189087638 497004031 /nfs/dbraw/zinc/00/40/31/497004031.db2.gz HNSBTDXGRIBXOY-UWJYYQICSA-N 0 3 363.461 3.349 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)OCC ZINC000270102936 497058882 /nfs/dbraw/zinc/05/88/82/497058882.db2.gz QVXAHMFJGHJHFQ-SJLPKXTDSA-N 0 3 350.528 3.448 20 30 FGEDHN COC(=O)c1ccc(C(=O)C(C(=S)[N-]C(C)(C)C)[n+]2ccccc2)cc1 ZINC000278276981 497059389 /nfs/dbraw/zinc/05/93/89/497059389.db2.gz OSXUXFJRTWNKAS-UHFFFAOYSA-O 0 3 371.482 3.088 20 30 FGEDHN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000248634645 497066234 /nfs/dbraw/zinc/06/62/34/497066234.db2.gz XMOVGYOVROSMBG-YZGWKJHDSA-N 0 3 357.498 3.486 20 30 FGEDHN C=C(C)[C@H](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)OCC ZINC000270155420 497067910 /nfs/dbraw/zinc/06/79/10/497067910.db2.gz XEVHMUPMHNTSDL-FQEVSTJZSA-N 0 3 359.514 3.447 20 30 FGEDHN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000248648473 497071691 /nfs/dbraw/zinc/07/16/91/497071691.db2.gz UQVZJIUXFBSAFT-GUXCAODWSA-N 0 3 351.450 3.133 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000248790566 497104873 /nfs/dbraw/zinc/10/48/73/497104873.db2.gz ITNCJOMNFCFWNW-FOIQADDNSA-N 0 3 366.440 3.017 20 30 FGEDHN CCCCO[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000248974669 497143127 /nfs/dbraw/zinc/14/31/27/497143127.db2.gz DQHJXTJRXHVXAX-XUVXKRRUSA-N 0 3 369.509 3.233 20 30 FGEDHN CCCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)[N-]C(C)C)cc1 ZINC000274883104 497190132 /nfs/dbraw/zinc/19/01/32/497190132.db2.gz XXKJBTVMJJPTFS-UHFFFAOYSA-O 0 3 360.503 3.468 20 30 FGEDHN C[C@H]1CN(C(=O)c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000192756641 497205984 /nfs/dbraw/zinc/20/59/84/497205984.db2.gz VBGQJLULDBUEMK-ZTTFOMCMSA-N 0 3 355.482 3.108 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H]2CCCOC2)cc1OC ZINC000237238376 497208586 /nfs/dbraw/zinc/20/85/86/497208586.db2.gz FRZFOAVLZVLOBL-ZDUSSCGKSA-N 0 3 356.260 3.291 20 30 FGEDHN C=C[C@H](CC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000270830883 497211530 /nfs/dbraw/zinc/21/15/30/497211530.db2.gz CQPFPYSUKOSQCC-HXUWFJFHSA-N 0 3 369.553 3.363 20 30 FGEDHN C[C@@H](COc1ccc(C(C)(C)C)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000569265396 505892564 /nfs/dbraw/zinc/89/25/64/505892564.db2.gz FTRSLFFJXOVVOH-HNNXBMFYSA-N 0 3 363.465 3.456 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000275257777 497267283 /nfs/dbraw/zinc/26/72/83/497267283.db2.gz IBQZQULJYATSPE-JOCHJYFZSA-N 0 3 369.553 3.222 20 30 FGEDHN CN(Cc1ccc(N(C)CCC#N)cc1)C[C@@H](O)COCc1ccccc1 ZINC000271117075 497267510 /nfs/dbraw/zinc/26/75/10/497267510.db2.gz CESZTJRGJLBKPV-JOCHJYFZSA-N 0 3 367.493 3.046 20 30 FGEDHN CCN1CC[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C1 ZINC000278940459 497275109 /nfs/dbraw/zinc/27/51/09/497275109.db2.gz CXDVFYICJVMOOI-KSSFIOAISA-N 0 3 352.438 3.016 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000189911327 497290199 /nfs/dbraw/zinc/29/01/99/497290199.db2.gz KUZCGXQRBVTEAK-VXKWHMMOSA-N 0 3 369.553 3.365 20 30 FGEDHN N#CCCn1cc(CNC[C@H]2COc3ccccc3O2)c(-c2ccccc2)n1 ZINC000237831371 497298088 /nfs/dbraw/zinc/29/80/88/497298088.db2.gz DLVSEPSUFHPMQO-IBGZPJMESA-N 0 3 374.444 3.393 20 30 FGEDHN CSc1nnc(CNC(=N)Nc2ccccc2OC(F)(F)F)s1 ZINC000275577955 497371092 /nfs/dbraw/zinc/37/10/92/497371092.db2.gz IRXFHOBNFYHWJC-UHFFFAOYSA-N 0 3 363.390 3.085 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCOCCc2ccccc2)cc1 ZINC000279246156 497380498 /nfs/dbraw/zinc/38/04/98/497380498.db2.gz GPMDKWXFBABWJJ-NRFANRHFSA-N 0 3 361.445 3.006 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000279261177 497385797 /nfs/dbraw/zinc/38/57/97/497385797.db2.gz MFVNMMQFSGXMIA-ZTFGCOKTSA-N 0 3 359.857 3.087 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000275736100 497416975 /nfs/dbraw/zinc/41/69/75/497416975.db2.gz XXDMVZBKICOOFR-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN CCCCOc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1OC ZINC000271697547 497421194 /nfs/dbraw/zinc/42/11/94/497421194.db2.gz SSDGOOVKINFHOW-MRXNPFEDSA-N 0 3 361.486 3.287 20 30 FGEDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000271718176 497427773 /nfs/dbraw/zinc/42/77/73/497427773.db2.gz XFCRCRNOPYLQBB-CYBMUJFWSA-N 0 3 368.393 3.154 20 30 FGEDHN C[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)N1[C@H](C)CC[C@H]1C ZINC000245540430 497446021 /nfs/dbraw/zinc/44/60/21/497446021.db2.gz MLVXPYSBICKBAC-CRZSILMSSA-N 0 3 370.497 3.021 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@]2(C)CCCO)c1C ZINC000272045524 497521266 /nfs/dbraw/zinc/52/12/66/497521266.db2.gz SDIUHXCBCZSZJN-OAQYLSRUSA-N 0 3 357.498 3.177 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1O2 ZINC000193954926 497532308 /nfs/dbraw/zinc/53/23/08/497532308.db2.gz CENKFFNTIMWDIM-IBGZPJMESA-N 0 3 361.445 3.276 20 30 FGEDHN CN(C)[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccsc1 ZINC000272098927 497536277 /nfs/dbraw/zinc/53/62/77/497536277.db2.gz GILNZTVYGSGJON-LJQANCHMSA-N 0 3 365.506 3.413 20 30 FGEDHN C[C@@H](Cc1ccccc1F)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190623120 497549579 /nfs/dbraw/zinc/54/95/79/497549579.db2.gz ONHZBEUXOAHNDC-YWZLYKJASA-N 0 3 351.425 3.019 20 30 FGEDHN COc1ccc(OC)c([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000279816304 497551945 /nfs/dbraw/zinc/55/19/45/497551945.db2.gz XSLOHZHQVKPEJI-YOEHRIQHSA-N 0 3 363.417 3.135 20 30 FGEDHN CCSc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccn1 ZINC000279957074 497602434 /nfs/dbraw/zinc/60/24/34/497602434.db2.gz HZBLRHJWSFSGAK-KRWDZBQOSA-N 0 3 350.447 3.064 20 30 FGEDHN N#CC(C(=O)c1ccc(CN2CCCC2=O)cc1)c1cnc2ccccc2n1 ZINC000190925823 497648914 /nfs/dbraw/zinc/64/89/14/497648914.db2.gz SFXBRQWIVSLQIO-KRWDZBQOSA-N 0 3 370.412 3.242 20 30 FGEDHN Cn1cc(CNC(C)(C)[C@@H](O)c2ccc(Br)cc2)cc1C#N ZINC000276822863 497663541 /nfs/dbraw/zinc/66/35/41/497663541.db2.gz ZPTJDGOKBMXAQC-INIZCTEOSA-N 0 3 362.271 3.261 20 30 FGEDHN CC1(C#N)CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000272630495 497684050 /nfs/dbraw/zinc/68/40/50/497684050.db2.gz WEMDMUFNHBDTIW-UHFFFAOYSA-N 0 3 350.260 3.403 20 30 FGEDHN CC[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000280287727 497708190 /nfs/dbraw/zinc/70/81/90/497708190.db2.gz DZZKSZJHFMTDEE-QZTJIDSGSA-N 0 3 365.408 3.353 20 30 FGEDHN N#Cc1ccnc(NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000268474518 497760452 /nfs/dbraw/zinc/76/04/52/497760452.db2.gz KBPDMYAWGZJZJG-ZDUSSCGKSA-N 0 3 357.439 3.247 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246644001 497794223 /nfs/dbraw/zinc/79/42/23/497794223.db2.gz UQLPTWPQKPGDFR-ABSDTBQOSA-N 0 3 363.461 3.105 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000280592974 497796068 /nfs/dbraw/zinc/79/60/68/497796068.db2.gz FEIFVFUKIGVXKS-HXUWFJFHSA-N 0 3 358.445 3.157 20 30 FGEDHN CO[C@]1(C)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000280598497 497821604 /nfs/dbraw/zinc/82/16/04/497821604.db2.gz UXRLWJVKULAFPX-OXJNMPFZSA-N 0 3 361.461 3.352 20 30 FGEDHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000329544571 497825503 /nfs/dbraw/zinc/82/55/03/497825503.db2.gz GCUOQNLJDHKFLM-OCCSQVGLSA-N 0 3 360.845 3.338 20 30 FGEDHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000329544571 497825509 /nfs/dbraw/zinc/82/55/09/497825509.db2.gz GCUOQNLJDHKFLM-OCCSQVGLSA-N 0 3 360.845 3.338 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N1CCCN(C(C)C)CC1 ZINC000295959155 497868839 /nfs/dbraw/zinc/86/88/39/497868839.db2.gz MUQZBAGDLIDJPA-UHFFFAOYSA-N 0 3 369.513 3.101 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CCN1C ZINC000329686663 497869370 /nfs/dbraw/zinc/86/93/70/497869370.db2.gz FSRWRTWYAQRGAG-SZVBFZGTSA-N 0 3 357.498 3.067 20 30 FGEDHN Cn1cc(CN2CCC3(CCOCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000284701682 497872930 /nfs/dbraw/zinc/87/29/30/497872930.db2.gz IDGCDNPNTILKCO-UHFFFAOYSA-N 0 3 350.466 3.351 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000329704664 497874649 /nfs/dbraw/zinc/87/46/49/497874649.db2.gz JPIIFNZCBUUBOU-VDGAXYAQSA-N 0 3 357.498 3.369 20 30 FGEDHN C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)C1=CCN(C)CC1 ZINC000329757707 497890535 /nfs/dbraw/zinc/89/05/35/497890535.db2.gz ZNBLNARKFMYNLW-KANFNMMFSA-N 0 3 369.513 3.221 20 30 FGEDHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329787600 497901086 /nfs/dbraw/zinc/90/10/86/497901086.db2.gz RGLKXDJQXCYWHF-XUVXKRRUSA-N 0 3 358.482 3.181 20 30 FGEDHN CC(C)CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)C1CCN(C)CC1 ZINC000329785988 497901196 /nfs/dbraw/zinc/90/11/96/497901196.db2.gz XLRRCEANGRHASX-UHFFFAOYSA-N 0 3 363.546 3.491 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)c3cc(C#N)oc3C)CC2)cc1 ZINC000280795880 497902350 /nfs/dbraw/zinc/90/23/50/497902350.db2.gz RHAMDHAVXGPOAF-UHFFFAOYSA-N 0 3 367.449 3.110 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000329844809 497923436 /nfs/dbraw/zinc/92/34/36/497923436.db2.gz QAQCAWMJNIYEQX-IYBDPMFKSA-N 0 3 374.481 3.293 20 30 FGEDHN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)CC2 ZINC000329883206 497938779 /nfs/dbraw/zinc/93/87/79/497938779.db2.gz QVVNLKHLZIOJIX-NVXWUHKLSA-N 0 3 359.518 3.470 20 30 FGEDHN C#CCOc1ccc(CN[C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000296272509 497979819 /nfs/dbraw/zinc/97/98/19/497979819.db2.gz DSNFFEKKOHHFIG-AWEZNQCLSA-N 0 3 357.841 3.254 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000330005094 497987863 /nfs/dbraw/zinc/98/78/63/497987863.db2.gz BPAHEBFWMDBCHP-KURKYZTESA-N 0 3 367.559 3.127 20 30 FGEDHN CCn1cc([C@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 ZINC000296304014 497990756 /nfs/dbraw/zinc/99/07/56/497990756.db2.gz ZVJLLKRPACWHGZ-ZDUSSCGKSA-N 0 3 371.510 3.394 20 30 FGEDHN Cc1cc(F)cc(-n2cc(C(=O)NC3CC(N4CCCCC4)C3)nn2)c1 ZINC000330083085 498014397 /nfs/dbraw/zinc/01/43/97/498014397.db2.gz HGNQZQYCYIBMNA-UHFFFAOYSA-N 0 3 357.433 3.036 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296382864 498021383 /nfs/dbraw/zinc/02/13/83/498021383.db2.gz HUXZHXIGIVAFJO-LCLWPZTBSA-N 0 3 354.498 3.279 20 30 FGEDHN N#CCCn1cc(CN2CCC3(CCOCC3)CC2)c(-c2ccncc2)n1 ZINC000285361602 498062546 /nfs/dbraw/zinc/06/25/46/498062546.db2.gz YZRHFWBFMZQREY-UHFFFAOYSA-N 0 3 365.481 3.251 20 30 FGEDHN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCCN1C1CCOCC1 ZINC000330248154 498077678 /nfs/dbraw/zinc/07/76/78/498077678.db2.gz FYVNWXNNBKGQJH-MISYRCLQSA-N 0 3 358.482 3.364 20 30 FGEDHN CCc1ccc([C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC000281261250 498078185 /nfs/dbraw/zinc/07/81/85/498078185.db2.gz QQNFFOBUHGWLSS-YADHBBJMSA-N 0 3 373.456 3.403 20 30 FGEDHN CCN1CCC[C@H](NC(=O)c2cc(Br)c(OC)c(OC)c2)C1 ZINC000330474485 498138705 /nfs/dbraw/zinc/13/87/05/498138705.db2.gz DCPDDLLHWAZLNI-LBPRGKRZSA-N 0 3 371.275 3.255 20 30 FGEDHN COc1ccc([C@@H](CNc2ccc(Cl)c(C#N)n2)N(C)C)cc1OC ZINC000301552196 498160725 /nfs/dbraw/zinc/16/07/25/498160725.db2.gz VQERVAUTRMBACQ-OAHLLOKOSA-N 0 3 360.845 3.339 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000285656306 498161458 /nfs/dbraw/zinc/16/14/58/498161458.db2.gz XLPCSPVJPGNIQW-VMBXEPDQSA-N 0 3 365.477 3.173 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000289503129 498170343 /nfs/dbraw/zinc/17/03/43/498170343.db2.gz LAMZTALRVUHASV-WMLDXEAASA-N 0 3 361.511 3.160 20 30 FGEDHN COc1ccc(OC(C)C)c(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000330714825 498179596 /nfs/dbraw/zinc/17/95/96/498179596.db2.gz SGSLOPTXVKHIOG-WBVHZDCISA-N 0 3 367.515 3.005 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000575742495 505995580 /nfs/dbraw/zinc/99/55/80/505995580.db2.gz HPMWAULHZQGEIN-DCPHZVHLSA-N 0 3 374.868 3.317 20 30 FGEDHN Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1NC(=O)NC(C)(C)C ZINC000330901634 498213945 /nfs/dbraw/zinc/21/39/45/498213945.db2.gz KRFJWCIRVQKOMX-CRAIPNDOSA-N 0 3 374.529 3.341 20 30 FGEDHN CN1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301685174 498223749 /nfs/dbraw/zinc/22/37/49/498223749.db2.gz WQIRPOMCPOUIFR-HIFRSBDPSA-N 0 3 357.439 3.418 20 30 FGEDHN C[C@@H](CC(=O)c1cccs1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281659552 498228013 /nfs/dbraw/zinc/22/80/13/498228013.db2.gz SHSMVJJZWNHFHV-BBRMVZONSA-N 0 3 351.431 3.080 20 30 FGEDHN CCn1cnnc1C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000360075544 498243606 /nfs/dbraw/zinc/24/36/06/498243606.db2.gz MUVIHONDYLDXDV-UHFFFAOYSA-N 0 3 353.470 3.360 20 30 FGEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000331410058 498322794 /nfs/dbraw/zinc/32/27/94/498322794.db2.gz JEMYJJVHUDTUQI-BQFCYCMXSA-N 0 3 365.399 3.249 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000361389218 498384942 /nfs/dbraw/zinc/38/49/42/498384942.db2.gz IJFFXUAOKVSOPV-QFIPXVFZSA-N 0 3 362.477 3.025 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N(CCC#N)CC(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000575903657 506029859 /nfs/dbraw/zinc/02/98/59/506029859.db2.gz PENHUZYHINEJAI-GHMZBOCLSA-N 0 3 373.341 3.200 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000302186430 498433891 /nfs/dbraw/zinc/43/38/91/498433891.db2.gz UKNUHRHGFHZMMY-UHFFFAOYSA-N 0 3 366.421 3.339 20 30 FGEDHN CN1CC[C@@H](CNC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000365484470 498490852 /nfs/dbraw/zinc/49/08/52/498490852.db2.gz ZKMWFNXJVUXLDO-WMZOPIPTSA-N 0 3 354.479 3.112 20 30 FGEDHN C=CC[C@H](C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000569914029 506045897 /nfs/dbraw/zinc/04/58/97/506045897.db2.gz BQSSKPRLXXDUFB-RYUDHWBXSA-N 0 3 365.326 3.462 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cccc(C(F)(F)F)n2)cc1 ZINC000293865763 498516389 /nfs/dbraw/zinc/51/63/89/498516389.db2.gz WJGPSVGNLMYZTO-OAHLLOKOSA-N 0 3 372.350 3.013 20 30 FGEDHN C=CCN(C(=O)c1ccnn1CC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365533138 498518049 /nfs/dbraw/zinc/51/80/49/498518049.db2.gz HTFBFKBFCAXWJO-KRWDZBQOSA-N 0 3 374.435 3.051 20 30 FGEDHN N#CC1CCC(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000282500632 498536646 /nfs/dbraw/zinc/53/66/46/498536646.db2.gz WQDJLHZDRUAHGJ-UHFFFAOYSA-N 0 3 354.498 3.280 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCOc3c(OC)cc(C)cc32)CC1 ZINC000362878084 498570869 /nfs/dbraw/zinc/57/08/69/498570869.db2.gz QOBSTCORNHTYTK-SFHVURJKSA-N 0 3 373.497 3.167 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)c3cc(C#N)oc3C)c(C)c2)CC1 ZINC000332141125 498577519 /nfs/dbraw/zinc/57/75/19/498577519.db2.gz NJNQXJFSJGWESX-UHFFFAOYSA-N 0 3 352.438 3.162 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000578986238 506067928 /nfs/dbraw/zinc/06/79/28/506067928.db2.gz QPYSGGLPBFLTPQ-WBVHZDCISA-N 0 3 371.872 3.415 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000570012868 506068420 /nfs/dbraw/zinc/06/84/20/506068420.db2.gz VDEUQLRSXJXIBJ-MRXNPFEDSA-N 0 3 361.917 3.323 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000332353303 498659582 /nfs/dbraw/zinc/65/95/82/498659582.db2.gz ZUJWTAQTPKNZLO-YOEHRIQHSA-N 0 3 360.889 3.099 20 30 FGEDHN C=CCc1cc(CN(CCN(C)C)Cc2ccccn2)cc(OC)c1O ZINC000579056678 506083299 /nfs/dbraw/zinc/08/32/99/506083299.db2.gz ULKTXYOAXGICLJ-UHFFFAOYSA-N 0 3 355.482 3.088 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCc2ccccc2)cc1 ZINC000287439518 498756845 /nfs/dbraw/zinc/75/68/45/498756845.db2.gz WDNHYUPLYVBJPB-HNNXBMFYSA-N 0 3 371.462 3.079 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)C2(C#N)CCOCC2)N(CC)CC)cc1 ZINC000294674222 498769984 /nfs/dbraw/zinc/76/99/84/498769984.db2.gz SKFRFGLJTMTVHL-LJQANCHMSA-N 0 3 357.498 3.068 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)C2(C#N)CCOCC2)N(CC)CC)cc1 ZINC000294674221 498770000 /nfs/dbraw/zinc/77/00/00/498770000.db2.gz SKFRFGLJTMTVHL-IBGZPJMESA-N 0 3 357.498 3.068 20 30 FGEDHN CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000573034334 506103142 /nfs/dbraw/zinc/10/31/42/506103142.db2.gz QXSYTSXCBICYBJ-XLIONFOSSA-N 0 3 354.450 3.390 20 30 FGEDHN CCN(Cc1noc(C)n1)[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000328625815 498880038 /nfs/dbraw/zinc/88/00/38/498880038.db2.gz DMVRUVZJUPDBGO-LJQANCHMSA-N 0 3 353.470 3.126 20 30 FGEDHN CC(C)[C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)N1CCCCC1 ZINC000328726151 498916274 /nfs/dbraw/zinc/91/62/74/498916274.db2.gz ZMOKAJNUOKGGHU-RCCFBDPRSA-N 0 3 352.519 3.021 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCc3c2cnn3C)C1 ZINC000328747549 498924949 /nfs/dbraw/zinc/92/49/49/498924949.db2.gz PFJFHVNOAKVXSF-AYBZRNKSSA-N 0 3 367.497 3.137 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C2CCOCC2)C1 ZINC000328831598 498954467 /nfs/dbraw/zinc/95/44/67/498954467.db2.gz LCCSMARBXSWMJT-HKUYNNGSSA-N 0 3 355.482 3.070 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000576268498 506117386 /nfs/dbraw/zinc/11/73/86/506117386.db2.gz ZTCPFPTYIZJYTL-UYAOXDASSA-N 0 3 368.868 3.185 20 30 FGEDHN CC(C)N1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000328910429 498981434 /nfs/dbraw/zinc/98/14/34/498981434.db2.gz NLOBODABDVFVKB-WBVHZDCISA-N 0 3 364.511 3.025 20 30 FGEDHN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000328946755 498994615 /nfs/dbraw/zinc/99/46/15/498994615.db2.gz GPFMTSNXJKWGLA-IPMKNSEASA-N 0 3 357.454 3.052 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)CC1 ZINC000295541237 499046810 /nfs/dbraw/zinc/04/68/10/499046810.db2.gz LBIKNFCTUYYRKI-HKUYNNGSSA-N 0 3 354.498 3.029 20 30 FGEDHN C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCN(C2CC2)C1 ZINC000333655031 499050525 /nfs/dbraw/zinc/05/05/25/499050525.db2.gz FQXVJGJMHMINFL-INIZCTEOSA-N 0 3 363.509 3.404 20 30 FGEDHN O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CC[C@@H](N2CCCCC2)C1 ZINC000329147948 499055151 /nfs/dbraw/zinc/05/51/51/499055151.db2.gz BCKFLQXXTDKDFJ-CYBMUJFWSA-N 0 3 353.369 3.114 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000329161504 499059100 /nfs/dbraw/zinc/05/91/00/499059100.db2.gz FIAXPPMINSLLDP-KWCYVHTRSA-N 0 3 370.280 3.443 20 30 FGEDHN COCCN1CC[C@H](NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000329219910 499074882 /nfs/dbraw/zinc/07/48/82/499074882.db2.gz BCALOVQCXSIELG-MSOLQXFVSA-N 0 3 374.529 3.170 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000582091742 506130915 /nfs/dbraw/zinc/13/09/15/506130915.db2.gz IEGZHQBFNDJSPL-OAHLLOKOSA-N 0 3 368.330 3.246 20 30 FGEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000329281106 499090607 /nfs/dbraw/zinc/09/06/07/499090607.db2.gz KOLBTQDIABSAPF-MRXNPFEDSA-N 0 3 365.408 3.410 20 30 FGEDHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329340453 499103751 /nfs/dbraw/zinc/10/37/51/499103751.db2.gz OICJPOTYACZHNY-UXLLHSPISA-N 0 3 350.507 3.018 20 30 FGEDHN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329352768 499106119 /nfs/dbraw/zinc/10/61/19/499106119.db2.gz USRQSONQJIYOII-LLVKDONJSA-N 0 3 358.408 3.212 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)[C@H]2C1 ZINC000329408533 499116429 /nfs/dbraw/zinc/11/64/29/499116429.db2.gz CNWIFXPCSBFHRR-HOCLYGCPSA-N 0 3 369.494 3.199 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000329439440 499121695 /nfs/dbraw/zinc/12/16/95/499121695.db2.gz MQJQSYXJBUGWIO-NSHDSACASA-N 0 3 366.849 3.140 20 30 FGEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000329506428 499128572 /nfs/dbraw/zinc/12/85/72/499128572.db2.gz LNEXASBDFBNCFL-IAGOWNOFSA-N 0 3 371.460 3.230 20 30 FGEDHN C=CCc1ccc(OCC(=O)Nc2cccc3c2CNCC3)c(OC)c1 ZINC000367512981 499207784 /nfs/dbraw/zinc/20/77/84/499207784.db2.gz IBKOJIPGIQGCPF-UHFFFAOYSA-N 0 3 352.434 3.087 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000368436532 499295784 /nfs/dbraw/zinc/29/57/84/499295784.db2.gz QUATXEHBKTYJNQ-QGZVFWFLSA-N 0 3 361.449 3.064 20 30 FGEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1[C@H]1CCCO1 ZINC000368585970 499310432 /nfs/dbraw/zinc/31/04/32/499310432.db2.gz VJKUAKQGXDQBFH-CRAIPNDOSA-N 0 3 373.522 3.326 20 30 FGEDHN Cn1cc(CN2CCC[C@H](OCC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000368800894 499334036 /nfs/dbraw/zinc/33/40/36/499334036.db2.gz SZPJPIUGHYLMSV-FQEVSTJZSA-N 0 3 350.466 3.350 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371656152 499351433 /nfs/dbraw/zinc/35/14/33/499351433.db2.gz QJVAWINBMMOPLR-SFHVURJKSA-N 0 3 359.433 3.184 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CC(OCc3ccccc3)C2)cc1 ZINC000369075983 499363038 /nfs/dbraw/zinc/36/30/38/499363038.db2.gz JDEXLHWTEOZUBE-QNGMFEMESA-N 0 3 359.429 3.105 20 30 FGEDHN C=CCN(C(=O)[C@@H]1CCCn2ccnc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000371827357 499369394 /nfs/dbraw/zinc/36/93/94/499369394.db2.gz USMIGATWFWTKEJ-VQTJNVASSA-N 0 3 364.493 3.050 20 30 FGEDHN CCOC(=O)C1(COC)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000369147569 499370970 /nfs/dbraw/zinc/37/09/70/499370970.db2.gz KPSUMILCJKAAPZ-UHFFFAOYSA-N 0 3 358.482 3.279 20 30 FGEDHN CC(C)(C#N)c1ccc(C(=O)Nc2cnn(CCN3CCCCC3)c2)cc1 ZINC000373576817 499477859 /nfs/dbraw/zinc/47/78/59/499477859.db2.gz LEGZGSJBTNGTDG-UHFFFAOYSA-N 0 3 365.481 3.422 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2NCc2ccn(Cc3ccccc3)n2)O1 ZINC000375314659 499506572 /nfs/dbraw/zinc/50/65/72/499506572.db2.gz VBUFXTIYDDFGIK-XRXFAXGQSA-N 0 3 350.466 3.261 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375338032 499508579 /nfs/dbraw/zinc/50/85/79/499508579.db2.gz PJTFMPRCZBDMFU-UHFFFAOYSA-N 0 3 352.413 3.243 20 30 FGEDHN COc1ccc(C#N)cc1CN(C)C1CCN(Cc2ccncc2)CC1 ZINC000378381971 499509737 /nfs/dbraw/zinc/50/97/37/499509737.db2.gz FOTPAEPCZMYKMT-UHFFFAOYSA-N 0 3 350.466 3.058 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]21 ZINC000375519167 499528099 /nfs/dbraw/zinc/52/80/99/499528099.db2.gz IDWDSVYBDSBMHK-UZLBHIALSA-N 0 3 350.466 3.111 20 30 FGEDHN C=CCC[C@@H](NC[C@@H]1CCCN(c2nccn3cnnc23)C1)c1ccco1 ZINC000375787114 499555605 /nfs/dbraw/zinc/55/56/05/499555605.db2.gz FZGYPAPYLUJNFE-DLBZAZTESA-N 0 3 366.469 3.231 20 30 FGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000375788623 499555969 /nfs/dbraw/zinc/55/59/69/499555969.db2.gz JFHIGFJWRVUVRR-MSOLQXFVSA-N 0 3 364.493 3.296 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000376005757 499575605 /nfs/dbraw/zinc/57/56/05/499575605.db2.gz XGBIWICCXNPDNF-QGZVFWFLSA-N 0 3 354.413 3.307 20 30 FGEDHN CN1CCC[C@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000376083241 499581676 /nfs/dbraw/zinc/58/16/76/499581676.db2.gz UCPWEEBXEZKYRB-KRWDZBQOSA-N 0 3 374.916 3.029 20 30 FGEDHN COc1ccc([C@@H](CCC#N)NC[C@H](CC(C)C)N2CCOCC2)cc1 ZINC000582175192 506151593 /nfs/dbraw/zinc/15/15/93/506151593.db2.gz SZICBQINTSKXHX-PZJWPPBQSA-N 0 3 359.514 3.377 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000376654704 499626377 /nfs/dbraw/zinc/62/63/77/499626377.db2.gz YXXBSGQBDTZCRJ-UHFFFAOYSA-N 0 3 354.410 3.031 20 30 FGEDHN C=CCN1CC[C@H](N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)C1=O ZINC000410345264 499656252 /nfs/dbraw/zinc/65/62/52/499656252.db2.gz PKESBDPONCZVCM-OALUTQOASA-N 0 3 372.509 3.278 20 30 FGEDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000411392038 499733387 /nfs/dbraw/zinc/73/33/87/499733387.db2.gz POAIDXWYFPOCHS-OAQYLSRUSA-N 0 3 352.434 3.283 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000411468068 499744487 /nfs/dbraw/zinc/74/44/87/499744487.db2.gz FILIQCRSBHGUPD-UHFFFAOYSA-N 0 3 350.378 3.074 20 30 FGEDHN CSc1ccc(OC[C@H](O)CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000411468887 499744682 /nfs/dbraw/zinc/74/46/82/499744682.db2.gz JRPFEAMHFXDSBB-QGZVFWFLSA-N 0 3 354.475 3.299 20 30 FGEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000377937616 499749557 /nfs/dbraw/zinc/74/95/57/499749557.db2.gz KIAHFORBHJKODY-WIYYLYMNSA-N 0 3 352.503 3.471 20 30 FGEDHN CN(C)C(=O)[C@@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000414494450 499799255 /nfs/dbraw/zinc/79/92/55/499799255.db2.gz DWDFNGICAQUJFD-LJQANCHMSA-N 0 3 363.461 3.047 20 30 FGEDHN CO[C@H]1c2ccccc2C[C@H]1NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411891134 499800841 /nfs/dbraw/zinc/80/08/41/499800841.db2.gz GFNLNNDNOMUOCS-QUCCMNQESA-N 0 3 369.852 3.442 20 30 FGEDHN CO[C@](C)([C@H](C)NCC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000411945772 499805362 /nfs/dbraw/zinc/80/53/62/499805362.db2.gz KUGPEGDIHLRODS-LAUBAEHRSA-N 0 3 357.498 3.343 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000412063831 499819447 /nfs/dbraw/zinc/81/94/47/499819447.db2.gz DFBVUZSYVXEKCL-SOUVJXGZSA-N 0 3 361.511 3.297 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415564832 499902628 /nfs/dbraw/zinc/90/26/28/499902628.db2.gz IDRVOHNEZSRLIY-QGZVFWFLSA-N 0 3 351.454 3.123 20 30 FGEDHN CC(=O)Nc1ccc(CN2CCC(Nc3ncc(C#N)cc3F)CC2)cc1 ZINC000413330235 499942168 /nfs/dbraw/zinc/94/21/68/499942168.db2.gz ZYPURZNQEMDKAU-UHFFFAOYSA-N 0 3 367.428 3.127 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413440985 499958354 /nfs/dbraw/zinc/95/83/54/499958354.db2.gz SKQATTOJBMWMBO-GOSISDBHSA-N 0 3 359.514 3.058 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429271652 500038736 /nfs/dbraw/zinc/03/87/36/500038736.db2.gz JHAMLUZGHAVOBM-IAQYHMDHSA-N 0 3 351.288 3.353 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000429324767 500053202 /nfs/dbraw/zinc/05/32/02/500053202.db2.gz DJQAALWZTRSFAL-GOSISDBHSA-N 0 3 363.461 3.013 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000425419982 500100685 /nfs/dbraw/zinc/10/06/85/500100685.db2.gz RLPKBQZSDFUVHO-ACRUOGEOSA-N 0 3 371.525 3.350 20 30 FGEDHN COCCc1ccc(OC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425529056 500134373 /nfs/dbraw/zinc/13/43/73/500134373.db2.gz ALTODSYPTCSOJQ-LAUBAEHRSA-N 0 3 368.477 3.180 20 30 FGEDHN COc1cccc(OC)c1OC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539689 500138642 /nfs/dbraw/zinc/13/86/42/500138642.db2.gz UGSAMTVIGJTUSK-MAUKXSAKSA-N 0 3 370.449 3.008 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)o1 ZINC000429805252 500147975 /nfs/dbraw/zinc/14/79/75/500147975.db2.gz AHRXDUVSZDHNOB-UHFFFAOYSA-N 0 3 365.355 3.374 20 30 FGEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425931771 500213763 /nfs/dbraw/zinc/21/37/63/500213763.db2.gz MVHCXYYBORBUFK-JOCHJYFZSA-N 0 3 368.908 3.260 20 30 FGEDHN CCN(CC(=O)OC(C)(C)C)C1CC(N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000426038967 500229325 /nfs/dbraw/zinc/22/93/25/500229325.db2.gz HYPGTEUKDPBLRX-MNNVXMFVSA-N 0 3 357.498 3.403 20 30 FGEDHN CCN(CC(=O)OC(C)(C)C)C1CC(N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000426046435 500229777 /nfs/dbraw/zinc/22/97/77/500229777.db2.gz PHNLSFPVWATICV-VNCLNFNDSA-N 0 3 357.498 3.403 20 30 FGEDHN COCCN(C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418143373 500236564 /nfs/dbraw/zinc/23/65/64/500236564.db2.gz INGUQLMQKLCJSS-FQEVSTJZSA-N 0 3 350.466 3.203 20 30 FGEDHN C[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000430715670 500274377 /nfs/dbraw/zinc/27/43/77/500274377.db2.gz QJUUBMOXTDEBKY-MTNREXPMSA-N 0 3 361.489 3.498 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000573395232 506186564 /nfs/dbraw/zinc/18/65/64/506186564.db2.gz PBQRZZZCGKXIGO-NRSPTQNISA-N 0 3 371.525 3.287 20 30 FGEDHN COCCN(Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCOC1 ZINC000426509329 500282415 /nfs/dbraw/zinc/28/24/15/500282415.db2.gz MHKNETCNNUSWRI-NRFANRHFSA-N 0 3 366.461 3.375 20 30 FGEDHN C=CC[C@H](C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1)c1ccccc1 ZINC000427149544 500359958 /nfs/dbraw/zinc/35/99/58/500359958.db2.gz HSNRHULSNHNADO-CTNGQTDRSA-N 0 3 368.477 3.286 20 30 FGEDHN Cc1ncccc1OC[C@H]1CCCN1CCC(=O)Nc1ccccc1C#N ZINC000419400562 500361819 /nfs/dbraw/zinc/36/18/19/500361819.db2.gz MQGBRFDQQYZUDI-GOSISDBHSA-N 0 3 364.449 3.134 20 30 FGEDHN CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(C(F)(F)F)c1 ZINC000424128191 500458024 /nfs/dbraw/zinc/45/80/24/500458024.db2.gz WHRSDMAFORGWDM-HIFRSBDPSA-N 0 3 357.376 3.000 20 30 FGEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424146105 500459876 /nfs/dbraw/zinc/45/98/76/500459876.db2.gz OYSDPVVOOBJKDK-MAUKXSAKSA-N 0 3 353.470 3.302 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000424189210 500465604 /nfs/dbraw/zinc/46/56/04/500465604.db2.gz MAAJNPNZXJQTON-AEFFLSMTSA-N 0 3 351.454 3.151 20 30 FGEDHN CC(C)(CNC(=O)NCc1ccc(C#N)s1)N1CCc2ccccc2C1 ZINC000420761301 500495926 /nfs/dbraw/zinc/49/59/26/500495926.db2.gz LIABDEVGBKQOJG-UHFFFAOYSA-N 0 3 368.506 3.256 20 30 FGEDHN C[C@]1(CNC(=O)c2ncc(C#N)cc2Cl)CCCN1Cc1ccccc1 ZINC000428326850 500496042 /nfs/dbraw/zinc/49/60/42/500496042.db2.gz PMSXCZUFPOQIDU-HXUWFJFHSA-N 0 3 368.868 3.391 20 30 FGEDHN Cc1cc(CN)cc(NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000424448125 500507025 /nfs/dbraw/zinc/50/70/25/500507025.db2.gz XCGXBJDZLAJOIF-UHFFFAOYSA-N 0 3 354.479 3.380 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000432390674 500509166 /nfs/dbraw/zinc/50/91/66/500509166.db2.gz ZYVZWFBLRORTIG-OXQOHEQNSA-N 0 3 362.477 3.190 20 30 FGEDHN C=CCC1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCOCC1 ZINC000424628605 500531007 /nfs/dbraw/zinc/53/10/07/500531007.db2.gz PVSOGZKAHYNQOW-QGZVFWFLSA-N 0 3 362.539 3.449 20 30 FGEDHN Cc1cc(C)cc(OCCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428777424 500556008 /nfs/dbraw/zinc/55/60/08/500556008.db2.gz FMSNZMIPDJDWCO-LJQANCHMSA-N 0 3 351.450 3.492 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000437479321 500648647 /nfs/dbraw/zinc/64/86/47/500648647.db2.gz CWKSYUOEGMJHIF-YRNRMSPPSA-N 0 3 357.498 3.279 20 30 FGEDHN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433219096 500649835 /nfs/dbraw/zinc/64/98/35/500649835.db2.gz LACMXHHZZJXJSF-IBGZPJMESA-N 0 3 363.461 3.473 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433310300 500669156 /nfs/dbraw/zinc/66/91/56/500669156.db2.gz BFIOGXJNPSJFDH-IEBWSBKVSA-N 0 3 356.853 3.441 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000437614904 500669584 /nfs/dbraw/zinc/66/95/84/500669584.db2.gz GORBXDUUNHEOKQ-QUCCMNQESA-N 0 3 371.525 3.104 20 30 FGEDHN Cn1c(CCCNC(=O)C(C#N)CCc2ccccc2)nc2ccccc21 ZINC000433345829 500677345 /nfs/dbraw/zinc/67/73/45/500677345.db2.gz ZDZWFROFARVXRJ-GOSISDBHSA-N 0 3 360.461 3.395 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(OCC)cc2)CC1 ZINC000437735754 500688266 /nfs/dbraw/zinc/68/82/66/500688266.db2.gz TUFOLBIEGBJWAJ-VQTJNVASSA-N 0 3 357.498 3.281 20 30 FGEDHN N#CC(CCN[C@H](CO)[C@@H]1CCCO1)(c1ccccc1)c1ccccc1 ZINC000447916350 500689565 /nfs/dbraw/zinc/68/95/65/500689565.db2.gz VBMACJHKIBVCTK-RTWAWAEBSA-N 0 3 350.462 3.016 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000573568518 506212901 /nfs/dbraw/zinc/21/29/01/506212901.db2.gz UJUWXJFHUHCOCN-INIZCTEOSA-N 0 3 365.412 3.252 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000573568518 506212903 /nfs/dbraw/zinc/21/29/03/506212903.db2.gz UJUWXJFHUHCOCN-INIZCTEOSA-N 0 3 365.412 3.252 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000437780993 500694506 /nfs/dbraw/zinc/69/45/06/500694506.db2.gz DXMPPMBOMUMBPW-HKBOAZHASA-N 0 3 371.525 3.177 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000570688605 506213846 /nfs/dbraw/zinc/21/38/46/506213846.db2.gz AWAOCGDWWAYRNJ-BHIYHBOVSA-N 0 3 362.539 3.318 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](CC(F)(F)F)C2)c(OC)c1 ZINC000444716845 500886899 /nfs/dbraw/zinc/88/68/99/500886899.db2.gz LBVDSNYXTFQVLF-HZPDHXFCSA-N 0 3 373.415 3.438 20 30 FGEDHN C=CC[C@@H]1N(CC(=O)NCc2ccc(OCCOC)cc2)CCCC1(C)C ZINC000444789905 500900826 /nfs/dbraw/zinc/90/08/26/500900826.db2.gz GSOHLXCVJYBKTF-FQEVSTJZSA-N 0 3 374.525 3.395 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@H](OCC3CC3)C2)c(-c2ccncc2)n1 ZINC000434980931 500919283 /nfs/dbraw/zinc/91/92/83/500919283.db2.gz HUPVDQUUVKRLSE-FQEVSTJZSA-N 0 3 365.481 3.250 20 30 FGEDHN Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000439664153 500923880 /nfs/dbraw/zinc/92/38/80/500923880.db2.gz UPNQKQDOOBNEBM-NJYVYQBISA-N 0 3 363.461 3.151 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000435152179 500939133 /nfs/dbraw/zinc/93/91/33/500939133.db2.gz RIPHRJNWXHEQNW-UHFFFAOYSA-N 0 3 370.428 3.002 20 30 FGEDHN CCN1CC[C@@H](NCc2cccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000602601089 506228024 /nfs/dbraw/zinc/22/80/24/506228024.db2.gz QOYBLKZEPAMICT-MJGOQNOKSA-N 0 3 360.383 3.296 20 30 FGEDHN N#CCCCOc1cccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000449360796 500987197 /nfs/dbraw/zinc/98/71/97/500987197.db2.gz VGNNYRAHNGYNDU-KRWDZBQOSA-N 0 3 370.474 3.030 20 30 FGEDHN C=CC(C)(C)CNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449487108 501015240 /nfs/dbraw/zinc/01/52/40/501015240.db2.gz WTMMQQCQARRKNA-GFCCVEGCSA-N 0 3 369.303 3.264 20 30 FGEDHN CCO[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000449497471 501017457 /nfs/dbraw/zinc/01/74/57/501017457.db2.gz KLZLGEYWYQZREN-QFBILLFUSA-N 0 3 353.470 3.106 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccc(Br)cc2)nc1C ZINC000449517067 501023541 /nfs/dbraw/zinc/02/35/41/501023541.db2.gz DOCNJBCEMHTKNN-SJORKVTESA-N 0 3 362.271 3.376 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)o1 ZINC000449547218 501029991 /nfs/dbraw/zinc/02/99/91/501029991.db2.gz HFIRICHYPYQJQQ-CYBMUJFWSA-N 0 3 354.360 3.398 20 30 FGEDHN CCN1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440652242 501034662 /nfs/dbraw/zinc/03/46/62/501034662.db2.gz MABBACFWOMGBJN-UHFFFAOYSA-N 0 3 359.271 3.401 20 30 FGEDHN CC1CCN(CCNC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000435882963 501041415 /nfs/dbraw/zinc/04/14/15/501041415.db2.gz WPLCMWIRNDOPLV-UHFFFAOYSA-N 0 3 352.482 3.407 20 30 FGEDHN COc1cccc([C@H](CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)N(C)C)c1 ZINC000596056007 506231128 /nfs/dbraw/zinc/23/11/28/506231128.db2.gz UVNAECZQTHOLOQ-SFHVURJKSA-N 0 3 354.410 3.498 20 30 FGEDHN COc1cc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)ccc1C#N ZINC000449652414 501050620 /nfs/dbraw/zinc/05/06/20/501050620.db2.gz AXIPJBDSQYUKDH-NEWSRXKRSA-N 0 3 354.454 3.050 20 30 FGEDHN Cc1c(C#N)c(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000450415590 501116152 /nfs/dbraw/zinc/11/61/52/501116152.db2.gz CQQHAGMQHBFHPJ-INIZCTEOSA-N 0 3 363.509 3.020 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000449898404 501120776 /nfs/dbraw/zinc/12/07/76/501120776.db2.gz PRGFQBGCUFSXEE-UHFFFAOYSA-N 0 3 352.438 3.230 20 30 FGEDHN COCC[C@]1(NCc2cccc(OCc3cccc(C#N)c3)c2)CCOC1 ZINC000447074435 501201665 /nfs/dbraw/zinc/20/16/65/501201665.db2.gz AXFJUNSGKUHTEF-QFIPXVFZSA-N 0 3 366.461 3.422 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)NCC#Cc2ccccc2)N(C)C)cc1 ZINC000457606355 501266741 /nfs/dbraw/zinc/26/67/41/501266741.db2.gz ZGWLSVWGAXVUEH-HXUWFJFHSA-N 0 3 367.518 3.362 20 30 FGEDHN COc1c(C)cnc(CN(C)CCC(=O)Nc2cccc(C#N)c2)c1C ZINC000451375260 501278907 /nfs/dbraw/zinc/27/89/07/501278907.db2.gz LPWHCYULESXXJX-UHFFFAOYSA-N 0 3 352.438 3.039 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C ZINC000451492517 501305437 /nfs/dbraw/zinc/30/54/37/501305437.db2.gz JNWGMESJALLKAH-RRQGHBQHSA-N 0 3 361.511 3.280 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000457827301 501317915 /nfs/dbraw/zinc/31/79/15/501317915.db2.gz IAVZLRBHJBJYJZ-CEWLAPEOSA-N 0 3 356.510 3.338 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569507 501327094 /nfs/dbraw/zinc/32/70/94/501327094.db2.gz OKPSABCIWNLOCI-HNNXBMFYSA-N 0 3 364.287 3.001 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C(C)C)[C@@H](CO)C(C)C)c1C ZINC000451594757 501332832 /nfs/dbraw/zinc/33/28/32/501332832.db2.gz DSDVARCZBDSCMP-SIKLNZKXSA-N 0 3 373.541 3.429 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000453445643 501333442 /nfs/dbraw/zinc/33/34/42/501333442.db2.gz NNOYHYRJKVDGIM-KRWDZBQOSA-N 0 3 351.498 3.300 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453454072 501336172 /nfs/dbraw/zinc/33/61/72/501336172.db2.gz POCIMIHQKOQJLT-KRWDZBQOSA-N 0 3 359.543 3.425 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](O)CC(C)(C)C1 ZINC000451806366 501376334 /nfs/dbraw/zinc/37/63/34/501376334.db2.gz FNXVXLAYHWSZJW-CVEARBPZSA-N 0 3 350.528 3.134 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1C#N ZINC000455803932 501389567 /nfs/dbraw/zinc/38/95/67/501389567.db2.gz VFXFQBLDWSTZJO-KRWDZBQOSA-N 0 3 354.454 3.214 20 30 FGEDHN N#Cc1cccc(CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000602661561 506250368 /nfs/dbraw/zinc/25/03/68/506250368.db2.gz FIENXKPUVHMJNI-INIZCTEOSA-N 0 3 350.470 3.499 20 30 FGEDHN N#Cc1cccc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000602661561 506250376 /nfs/dbraw/zinc/25/03/76/506250376.db2.gz FIENXKPUVHMJNI-INIZCTEOSA-N 0 3 350.470 3.499 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458331193 501421488 /nfs/dbraw/zinc/42/14/88/501421488.db2.gz ZOUPWKVVWYVCTF-CQSZACIVSA-N 0 3 371.412 3.044 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000452112721 501437396 /nfs/dbraw/zinc/43/73/96/501437396.db2.gz GWABJMZXIMLRIL-IAGOWNOFSA-N 0 3 374.554 3.434 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](CCCO)C2)c1 ZINC000452128794 501442231 /nfs/dbraw/zinc/44/22/31/501442231.db2.gz YLUJULMMJIOQRM-RTBURBONSA-N 0 3 357.498 3.033 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000456326873 501499179 /nfs/dbraw/zinc/49/91/79/501499179.db2.gz GVHVBDPEYNATOU-XMSQKQJNSA-N 0 3 351.494 3.441 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)N(C)C ZINC000459038430 501580967 /nfs/dbraw/zinc/58/09/67/501580967.db2.gz HWLKLLZTGFFXMP-LBPRGKRZSA-N 0 3 372.282 3.236 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2nc3ncccc3cc2C#N)cc1 ZINC000596112803 506265046 /nfs/dbraw/zinc/26/50/46/506265046.db2.gz DRABWBXHJZKHNS-UHFFFAOYSA-N 0 3 361.449 3.096 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1C#N ZINC000459553194 501675435 /nfs/dbraw/zinc/67/54/35/501675435.db2.gz XABOZSPLCQASQG-ZFWWWQNUSA-N 0 3 355.467 3.280 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000459597897 501684342 /nfs/dbraw/zinc/68/43/42/501684342.db2.gz YFAKXRKJOXXUPL-GUYCJALGSA-N 0 3 369.494 3.355 20 30 FGEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCC2 ZINC000459756745 501709343 /nfs/dbraw/zinc/70/93/43/501709343.db2.gz KHTVQAMOBZHABQ-BMGDILEWSA-N 0 3 359.445 3.008 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)nc(C(F)F)n3C)nc(C)n1 ZINC000467196737 501734575 /nfs/dbraw/zinc/73/45/75/501734575.db2.gz QKKVRBXUMIIGCE-GFCCVEGCSA-N 0 3 355.348 3.408 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CNc1cccc(C#N)c1 ZINC000470588489 501736960 /nfs/dbraw/zinc/73/69/60/501736960.db2.gz RHTHRUOAQJLAHG-OAQYLSRUSA-N 0 3 364.493 3.243 20 30 FGEDHN C=CCSCCNC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000460142701 501739129 /nfs/dbraw/zinc/73/91/29/501739129.db2.gz JFKPCGWTZRZJKT-RTBURBONSA-N 0 3 359.539 3.069 20 30 FGEDHN C=CCCN(C)Cc1cc(I)c(OC)c(OC)c1 ZINC000467386844 501783216 /nfs/dbraw/zinc/78/32/16/501783216.db2.gz BEECKCYYYPNMGA-UHFFFAOYSA-N 0 3 361.223 3.316 20 30 FGEDHN COc1ccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1F ZINC000470753915 501791579 /nfs/dbraw/zinc/79/15/79/501791579.db2.gz DNZZOYZDHOFXHU-GUYCJALGSA-N 0 3 351.381 3.266 20 30 FGEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000481514032 501796785 /nfs/dbraw/zinc/79/67/85/501796785.db2.gz IEYLBWCAEDGRLO-IIMJZQEZSA-N 0 3 374.868 3.317 20 30 FGEDHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470832873 501822443 /nfs/dbraw/zinc/82/24/43/501822443.db2.gz UHGNIHBYNGVYBX-FXAWDEMLSA-N 0 3 361.445 3.441 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000470975626 501878342 /nfs/dbraw/zinc/87/83/42/501878342.db2.gz PPEUEJWBDPAXEB-OXQOHEQNSA-N 0 3 369.428 3.304 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000471039684 501899754 /nfs/dbraw/zinc/89/97/54/501899754.db2.gz QPXMOAKEQHNTQO-DQTJMLIDSA-N 0 3 359.429 3.310 20 30 FGEDHN COCCOCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000464202397 501921292 /nfs/dbraw/zinc/92/12/92/501921292.db2.gz AJSQAEBTNWIYDD-QGZVFWFLSA-N 0 3 361.401 3.283 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485877149 501971257 /nfs/dbraw/zinc/97/12/57/501971257.db2.gz UQFVJYPLIKYTFN-HBMCJLEFSA-N 0 3 364.493 3.301 20 30 FGEDHN C=CC[C@@H](C(=O)N1CCN(c2ccncc2OC)CC1)c1ccccc1 ZINC000478485541 501997631 /nfs/dbraw/zinc/99/76/31/501997631.db2.gz YHPRSCKPRLRTSZ-GOSISDBHSA-N 0 3 351.450 3.099 20 30 FGEDHN CCOC(=O)[C@](C)(O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000475132426 502072462 /nfs/dbraw/zinc/07/24/62/502072462.db2.gz VHRUCUDHXZUHIB-YCRPNKLZSA-N 0 3 352.434 3.190 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@H]2N(C)CCCC2(C)C)c(C#N)c(C)c1C ZINC000468483539 502075951 /nfs/dbraw/zinc/07/59/51/502075951.db2.gz LFVLJNPAJPPIFU-QGZVFWFLSA-N 0 3 374.554 3.207 20 30 FGEDHN C=C(C)COc1cc(CN2CCC([C@@H](C)NC(C)=O)CC2)ccc1OC ZINC000482506958 502092475 /nfs/dbraw/zinc/09/24/75/502092475.db2.gz QFHZNNDFOCQUCC-MRXNPFEDSA-N 0 3 360.498 3.387 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000471632411 502094890 /nfs/dbraw/zinc/09/48/90/502094890.db2.gz BSBBNZSBCKQJEJ-FGZHOGPDSA-N 0 3 374.488 3.222 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000471662697 502101990 /nfs/dbraw/zinc/10/19/90/502101990.db2.gz FARMKOPMYBBSGD-FQEVSTJZSA-N 0 3 364.493 3.100 20 30 FGEDHN COc1ccc(C2(CN[C@@H](C)C(=O)NC3(C#N)CCC3)CCCCC2)cc1 ZINC000468980716 502251419 /nfs/dbraw/zinc/25/14/19/502251419.db2.gz MRIUUTNWTONXDN-KRWDZBQOSA-N 0 3 369.509 3.438 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000479475069 502270745 /nfs/dbraw/zinc/27/07/45/502270745.db2.gz UGGVZPSQHUURCG-QGZVFWFLSA-N 0 3 357.498 3.296 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2C)CC1 ZINC000592909334 506304127 /nfs/dbraw/zinc/30/41/27/506304127.db2.gz VDWMYNKCJOIXIV-INIZCTEOSA-N 0 3 372.513 3.295 20 30 FGEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(OC)c1OC ZINC000483244162 502325120 /nfs/dbraw/zinc/32/51/20/502325120.db2.gz WNFUFNWNNAWRTB-CYBMUJFWSA-N 0 3 363.373 3.146 20 30 FGEDHN CCCOc1ccc(C(C)(C)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000483285981 502339050 /nfs/dbraw/zinc/33/90/50/502339050.db2.gz PDFLWTNLWPWPLH-UHFFFAOYSA-N 0 3 365.477 3.488 20 30 FGEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469231202 502344790 /nfs/dbraw/zinc/34/47/90/502344790.db2.gz DNWIRHPDWYKUDY-GJZGRUSLSA-N 0 3 352.438 3.206 20 30 FGEDHN C[C@@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000462267048 502373785 /nfs/dbraw/zinc/37/37/85/502373785.db2.gz GUFIOJDWAMPMEN-QGZVFWFLSA-N 0 3 362.477 3.432 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000469529557 502453991 /nfs/dbraw/zinc/45/39/91/502453991.db2.gz RHCMHYLBBNUILH-MQSCRBSSSA-N 0 3 368.521 3.482 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCN1C ZINC000466033999 502460959 /nfs/dbraw/zinc/46/09/59/502460959.db2.gz DRANXCSINANOGW-RISCZKNCSA-N 0 3 370.375 3.104 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000483765610 502486847 /nfs/dbraw/zinc/48/68/47/502486847.db2.gz RLTPYGDDGKDSBV-ROUUACIJSA-N 0 3 351.535 3.310 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000469652520 502492819 /nfs/dbraw/zinc/49/28/19/502492819.db2.gz QMDALPSBSNQDDF-UYAOXDASSA-N 0 3 352.409 3.498 20 30 FGEDHN COc1ccc(CNCCc2cccc(C#N)c2)c(Br)c1O ZINC000466427137 502568922 /nfs/dbraw/zinc/56/89/22/502568922.db2.gz ZSGVWIJFXCYLJR-UHFFFAOYSA-N 0 3 361.239 3.367 20 30 FGEDHN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1cc(C#N)c2ccccc2n1 ZINC000462862778 502602847 /nfs/dbraw/zinc/60/28/47/502602847.db2.gz OHVPLQBRVBGDIF-GOSISDBHSA-N 0 3 371.488 3.151 20 30 FGEDHN CC(C)[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C ZINC000488031776 502605115 /nfs/dbraw/zinc/60/51/15/502605115.db2.gz FHDZJNDTOIBREQ-QGZVFWFLSA-N 0 3 374.554 3.099 20 30 FGEDHN C=CCOCCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000473503273 502612713 /nfs/dbraw/zinc/61/27/13/502612713.db2.gz MRDRTHXXTCMSPP-JOCHJYFZSA-N 0 3 356.510 3.484 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)CC1 ZINC000473565347 502638778 /nfs/dbraw/zinc/63/87/78/502638778.db2.gz WPCBEQIUCKHBJG-UHFFFAOYSA-N 0 3 352.482 3.464 20 30 FGEDHN C=CCN(CC(=O)NC[C@H]1COc2ccccc2O1)CC1CCCCC1 ZINC000484513442 502658069 /nfs/dbraw/zinc/65/80/69/502658069.db2.gz JUJQADHVBRQZNL-SFHVURJKSA-N 0 3 358.482 3.011 20 30 FGEDHN CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C(C)(C)C ZINC000602874457 506333349 /nfs/dbraw/zinc/33/33/49/506333349.db2.gz QLLXUPCFJVMSEZ-KRWDZBQOSA-N 0 3 374.554 3.099 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@](C)(OC)CC1)C(C)C ZINC000474063280 502795299 /nfs/dbraw/zinc/79/52/99/502795299.db2.gz WNHBPWVSUULQCV-UYAOXDASSA-N 0 3 351.535 3.286 20 30 FGEDHN Cc1c(C#N)c(N2CCC(N3CCCOCC3)CC2)nc2ccccc12 ZINC000596267959 506335597 /nfs/dbraw/zinc/33/55/97/506335597.db2.gz DRGWKKHIGUCGCK-UHFFFAOYSA-N 0 3 350.466 3.106 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)CC1 ZINC000500728716 502849250 /nfs/dbraw/zinc/84/92/50/502849250.db2.gz HHEVTWTWOXZBHF-UHFFFAOYSA-N 0 3 353.470 3.343 20 30 FGEDHN C=C(C)CCN1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000509329113 502876254 /nfs/dbraw/zinc/87/62/54/502876254.db2.gz WNANQMGIHQARRI-UHFFFAOYSA-N 0 3 372.538 3.360 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000496265392 502881296 /nfs/dbraw/zinc/88/12/96/502881296.db2.gz VQDJUMUGGXTVKL-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1c(F)cccc1C#N ZINC000513285641 502896386 /nfs/dbraw/zinc/89/63/86/502896386.db2.gz AVRMHXNBGKSBQC-QGZVFWFLSA-N 0 3 365.452 3.363 20 30 FGEDHN Cc1cc(NC(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)no1 ZINC000505437498 502904318 /nfs/dbraw/zinc/90/43/18/502904318.db2.gz CAIRBFAQLNEJPF-VIFPVBQESA-N 0 3 360.345 3.053 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000505443049 502905349 /nfs/dbraw/zinc/90/53/49/502905349.db2.gz BPRFUSXWQOBYJD-CQSZACIVSA-N 0 3 350.403 3.460 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2SCCc3ccccc32)CC1 ZINC000489233187 502907256 /nfs/dbraw/zinc/90/72/56/502907256.db2.gz NNXDAUGVUJLMGD-LJQANCHMSA-N 0 3 359.539 3.357 20 30 FGEDHN N#CCc1cccc2c1CCN(C(=O)NC[C@H]1CCN1C1CCCCC1)C2 ZINC000599144590 506342431 /nfs/dbraw/zinc/34/24/31/506342431.db2.gz KGHGNUDWRRDRTR-HXUWFJFHSA-N 0 3 366.509 3.227 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](COc2ccccc2)C1 ZINC000505885988 503006018 /nfs/dbraw/zinc/00/60/18/503006018.db2.gz XWBIWAPNDMULKY-OAHLLOKOSA-N 0 3 355.463 3.349 20 30 FGEDHN C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCC[C@H](C)C1 ZINC000501489256 503019785 /nfs/dbraw/zinc/01/97/85/503019785.db2.gz FUSAKCWDTHLUBD-IRXDYDNUSA-N 0 3 374.554 3.211 20 30 FGEDHN CN(C)CCn1nnnc1SCc1ccc(-c2ccccc2C#N)cc1 ZINC000510074258 503043911 /nfs/dbraw/zinc/04/39/11/503043911.db2.gz UDHOQQHWKBNHSU-UHFFFAOYSA-N 0 3 364.478 3.066 20 30 FGEDHN C=CCNC(=O)CN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000513959247 503055393 /nfs/dbraw/zinc/05/53/93/503055393.db2.gz INQHWTXTKLJPBY-JFIYKMOQSA-N 0 3 358.482 3.344 20 30 FGEDHN Cc1nc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)ccc1C#N ZINC000501821071 503088089 /nfs/dbraw/zinc/08/80/89/503088089.db2.gz WMADGFMMZWHQEL-OAQYLSRUSA-N 0 3 362.477 3.074 20 30 FGEDHN COc1ccc(CN(C)C)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000514398387 503127552 /nfs/dbraw/zinc/12/75/52/503127552.db2.gz RKYOWVHFSHRGKW-AWEZNQCLSA-N 0 3 353.422 3.034 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(N2CCCC2)nc1)C(C)C ZINC000498364809 503169427 /nfs/dbraw/zinc/16/94/27/503169427.db2.gz QLXIGBIUANRQCU-LJQANCHMSA-N 0 3 356.514 3.110 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1cc(C#N)ccc1F)N(C)C ZINC000498403197 503179928 /nfs/dbraw/zinc/17/99/28/503179928.db2.gz HXBMJFZUKCQLKJ-YWZLYKJASA-N 0 3 368.456 3.496 20 30 FGEDHN CN(C)Cc1ccccc1C(=O)NCCSCc1ccccc1C#N ZINC000498597808 503223542 /nfs/dbraw/zinc/22/35/42/503223542.db2.gz MJLJDHUVHPOKKA-UHFFFAOYSA-N 0 3 353.491 3.283 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000491086580 503270858 /nfs/dbraw/zinc/27/08/58/503270858.db2.gz UQANYSJWPGUFMA-ABSDTBQOSA-N 0 3 357.498 3.123 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000507295158 503271127 /nfs/dbraw/zinc/27/11/27/503271127.db2.gz YUYDAHAGDLZCII-UHFFFAOYSA-N 0 3 367.424 3.427 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCC[C@H]2CCO)c1C#N ZINC000502855149 503289909 /nfs/dbraw/zinc/28/99/09/503289909.db2.gz JPSSBWQANFKPDT-QFBILLFUSA-N 0 3 372.513 3.171 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCC[C@H]1CCO ZINC000502856143 503290896 /nfs/dbraw/zinc/29/08/96/503290896.db2.gz OOYDQLHCHBMTHR-OWCLPIDISA-N 0 3 361.511 3.018 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000515510844 503354896 /nfs/dbraw/zinc/35/48/96/503354896.db2.gz YVLYXKANPIYWEA-WOJBJXKFSA-N 0 3 354.425 3.144 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2ccccc2)C1)C(C)C ZINC000503435231 503408466 /nfs/dbraw/zinc/40/84/66/503408466.db2.gz AGDAYUCEKHVXOZ-SFTDATJTSA-N 0 3 371.525 3.468 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503526494 503429802 /nfs/dbraw/zinc/42/98/02/503429802.db2.gz PJSUTFGPVQEYIL-IRXDYDNUSA-N 0 3 355.463 3.286 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000493785666 503446326 /nfs/dbraw/zinc/44/63/26/503446326.db2.gz JOYGUEGYJJILDP-SJLPKXTDSA-N 0 3 362.518 3.049 20 30 FGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H]2CSC[C@@H]2C)c1C#N ZINC000512182423 503479511 /nfs/dbraw/zinc/47/95/11/503479511.db2.gz RWMIEEHGILIIEP-UGSOOPFHSA-N 0 3 368.506 3.245 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000512192646 503482355 /nfs/dbraw/zinc/48/23/55/503482355.db2.gz BCJHGJBAWZLLBU-UHFFFAOYSA-N 0 3 362.514 3.435 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cccc4cccnc43)C2=O)cc1 ZINC000503952569 503498001 /nfs/dbraw/zinc/49/80/01/503498001.db2.gz NXQPJXMMDXYCAP-HXUWFJFHSA-N 0 3 356.429 3.392 20 30 FGEDHN CCC[C@]1(NCC(=O)Nc2ccccc2SC[C@H](C)C#N)CCOC1 ZINC000512275968 503506049 /nfs/dbraw/zinc/50/60/49/503506049.db2.gz HWIVTISWMCJSDA-BEFAXECRSA-N 0 3 361.511 3.426 20 30 FGEDHN C=CCN1CC[C@H](N(C)CCCc2ccccc2Br)C1=O ZINC000499939338 503516266 /nfs/dbraw/zinc/51/62/66/503516266.db2.gz LHHNSLVCKSTVTG-INIZCTEOSA-N 0 3 351.288 3.100 20 30 FGEDHN C[C@H]1C[C@H]1c1noc(CC2CCN(CCOc3ccc(C#N)cc3)CC2)n1 ZINC000593077631 506379348 /nfs/dbraw/zinc/37/93/48/506379348.db2.gz NMAGYLNCTQWYHC-HNAYVOBHSA-N 0 3 366.465 3.398 20 30 FGEDHN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)CC1 ZINC000508904017 503596035 /nfs/dbraw/zinc/59/60/35/503596035.db2.gz ROZWKJSQSGYKGV-UHFFFAOYSA-N 0 3 364.497 3.390 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(CC)CC ZINC000494721871 503600342 /nfs/dbraw/zinc/60/03/42/503600342.db2.gz WWXRYHYOKPNCQF-IPMKNSEASA-N 0 3 355.482 3.237 20 30 FGEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000494741393 503602794 /nfs/dbraw/zinc/60/27/94/503602794.db2.gz WZNKJJYYRQBQHM-CZAAIQMYSA-N 0 3 363.461 3.419 20 30 FGEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000508954774 503606745 /nfs/dbraw/zinc/60/67/45/503606745.db2.gz YFTVMSYDBXFDDN-UHFFFAOYSA-N 0 3 354.502 3.162 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000512809364 503636700 /nfs/dbraw/zinc/63/67/00/503636700.db2.gz KGXHHIRTEQOWSI-UHFFFAOYSA-N 0 3 365.399 3.402 20 30 FGEDHN CN(C)C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000517203279 503672047 /nfs/dbraw/zinc/67/20/47/503672047.db2.gz OMBDWDIPMJBZGN-INIZCTEOSA-N 0 3 359.832 3.426 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](N2CCCCC2)C1 ZINC000532958556 503675020 /nfs/dbraw/zinc/67/50/20/503675020.db2.gz UEPFGWLOZDELJD-QZTJIDSGSA-N 0 3 361.555 3.211 20 30 FGEDHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(CC#N)cc1)CC2 ZINC000543209491 503680762 /nfs/dbraw/zinc/68/07/62/503680762.db2.gz SLSYRENJHJQIBT-UHFFFAOYSA-N 0 3 366.461 3.379 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000517263834 503698612 /nfs/dbraw/zinc/69/86/12/503698612.db2.gz AZMKCKRJIMMGMY-IBGZPJMESA-N 0 3 351.498 3.442 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000533080234 503724208 /nfs/dbraw/zinc/72/42/08/503724208.db2.gz GJEYAHACNBOJGK-GUDVDZBRSA-N 0 3 355.482 3.070 20 30 FGEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000540398003 503759018 /nfs/dbraw/zinc/75/90/18/503759018.db2.gz LLKPPBPLMHPRNG-HZPDHXFCSA-N 0 3 351.512 3.238 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530025733 503798131 /nfs/dbraw/zinc/79/81/31/503798131.db2.gz QYAVLIZGQHQJMQ-AZUAARDMSA-N 0 3 355.482 3.095 20 30 FGEDHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(=O)NC1(C#N)CCC1 ZINC000527485565 503806805 /nfs/dbraw/zinc/80/68/05/503806805.db2.gz SEEWRZUCZCBMOB-UHFFFAOYSA-N 0 3 353.388 3.179 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC(=O)NCC=C)c1ccc(C(F)(F)F)cc1 ZINC000537127955 503811879 /nfs/dbraw/zinc/81/18/79/503811879.db2.gz NOINPYXAMUWQJI-HNNXBMFYSA-N 0 3 369.387 3.314 20 30 FGEDHN CCc1cc(N2CCC[C@H](N[C@@H](C)c3ccc(C#N)c(F)c3)C2)ncn1 ZINC000540708405 503864392 /nfs/dbraw/zinc/86/43/92/503864392.db2.gz WXGVWOBHJOVVRR-KSSFIOAISA-N 0 3 353.445 3.369 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(Cc3ccccc3)c2CCC)CC1 ZINC000517988744 503882664 /nfs/dbraw/zinc/88/26/64/503882664.db2.gz UXBJYYQTSPXZSC-UHFFFAOYSA-N 0 3 366.509 3.264 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCCOc2c(Cl)cccc21 ZINC000530231678 503884524 /nfs/dbraw/zinc/88/45/24/503884524.db2.gz KRZCTOSQKUQJNG-YJBOKZPZSA-N 0 3 372.852 3.455 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2CCc3ccccc3CC2)cc1 ZINC000530231929 503884853 /nfs/dbraw/zinc/88/48/53/503884853.db2.gz AAJFHSZCKVRKIU-UHFFFAOYSA-N 0 3 368.502 3.117 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)N(CCC)CCN2CCCCC2)cc1 ZINC000518552889 504014457 /nfs/dbraw/zinc/01/44/57/504014457.db2.gz RSVVRRYANKOYCD-UHFFFAOYSA-N 0 3 372.513 3.332 20 30 FGEDHN C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCCC[C@H]1C ZINC000544299253 504079083 /nfs/dbraw/zinc/07/90/83/504079083.db2.gz LBYHNNGVPMZGOJ-IAGOWNOFSA-N 0 3 354.498 3.495 20 30 FGEDHN CC(C#N)C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000530818868 504095924 /nfs/dbraw/zinc/09/59/24/504095924.db2.gz NHULLZLDZRTISE-IINYFYTJSA-N 0 3 354.237 3.473 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000519002422 504115465 /nfs/dbraw/zinc/11/54/65/504115465.db2.gz SFMHAJQYPWOVBA-QAPCUYQASA-N 0 3 374.529 3.462 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)OCC ZINC000534419906 504136944 /nfs/dbraw/zinc/13/69/44/504136944.db2.gz ZAOSNEWYOQMMNM-QGZVFWFLSA-N 0 3 354.560 3.226 20 30 FGEDHN C[C@H](OC[C@@H](O)CNCCOc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000519142044 504148952 /nfs/dbraw/zinc/14/89/52/504148952.db2.gz WIVMKBVVJZYKRP-KXBFYZLASA-N 0 3 374.868 3.319 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC1(C(=O)OC)CCCCC1)c1ccccc1 ZINC000538256491 504178897 /nfs/dbraw/zinc/17/88/97/504178897.db2.gz MAWPAMQMYRBRPR-SFHVURJKSA-N 0 3 358.482 3.276 20 30 FGEDHN COc1cccc(C2CCN(C[C@H](O)COc3ccccc3C#N)CC2)c1 ZINC000528368296 504189640 /nfs/dbraw/zinc/18/96/40/504189640.db2.gz VBFXYLUKCATRGA-FQEVSTJZSA-N 0 3 366.461 3.186 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1cccc(C#N)c1 ZINC000531153841 504207784 /nfs/dbraw/zinc/20/77/84/504207784.db2.gz MOQMCEYVBNUYDN-JOCHJYFZSA-N 0 3 361.489 3.471 20 30 FGEDHN N#CC(C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1nc2ccccc2[nH]1 ZINC000531200459 504225479 /nfs/dbraw/zinc/22/54/79/504225479.db2.gz OJNPEBHDSIWDRY-MRXNPFEDSA-N 0 3 372.359 3.343 20 30 FGEDHN COc1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1C#N ZINC000519556625 504251576 /nfs/dbraw/zinc/25/15/76/504251576.db2.gz OIEXXKYHXDAZTP-UHFFFAOYSA-N 0 3 359.433 3.312 20 30 FGEDHN C=CCOc1ccc(CNC[C@H](Cc2ccccc2Cl)C(N)=O)cc1 ZINC000538533224 504276668 /nfs/dbraw/zinc/27/66/68/504276668.db2.gz ZYVNHKXJRRZOFN-KRWDZBQOSA-N 0 3 358.869 3.339 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](CCO)C(C)(C)C)c1C#N ZINC000544893725 504292790 /nfs/dbraw/zinc/29/27/90/504292790.db2.gz JXXYTNWDMPSXKV-GOSISDBHSA-N 0 3 374.529 3.417 20 30 FGEDHN CC(C)Cn1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000541994973 504328511 /nfs/dbraw/zinc/32/85/11/504328511.db2.gz OEVSAYURJAQWBW-SFHVURJKSA-N 0 3 355.461 3.308 20 30 FGEDHN N#Cc1ccc(C2(NC[C@@H](O)c3ccc(F)cc3F)CCOCC2)cc1 ZINC000528784423 504379365 /nfs/dbraw/zinc/37/93/65/504379365.db2.gz SRIHBGFAYGCLEP-LJQANCHMSA-N 0 3 358.388 3.165 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC2CC(OCc3ccccc3)C2)CC1 ZINC000545209410 504397301 /nfs/dbraw/zinc/39/73/01/504397301.db2.gz YGZQPROJNFJGON-UHFFFAOYSA-N 0 3 357.498 3.074 20 30 FGEDHN COc1cccc([C@@H]2C[C@H](C)CN2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000542254953 504425007 /nfs/dbraw/zinc/42/50/07/504425007.db2.gz PSAQPYMXCZENFC-BPXKWBHBSA-N 0 3 366.461 3.390 20 30 FGEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000538956824 504429956 /nfs/dbraw/zinc/42/99/56/504429956.db2.gz YHMITVUQADDDLG-WMLDXEAASA-N 0 3 352.400 3.436 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1Cl ZINC000528922060 504451428 /nfs/dbraw/zinc/45/14/28/504451428.db2.gz XBADDJJTACWXFU-WFEKMPBRSA-N 0 3 364.829 3.055 20 30 FGEDHN N#CC(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccncn1 ZINC000545448233 504490796 /nfs/dbraw/zinc/49/07/96/504490796.db2.gz QHFRKUHWTOIBIS-LLVKDONJSA-N 0 3 359.267 3.035 20 30 FGEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1OC(F)F ZINC000539483901 504585278 /nfs/dbraw/zinc/58/52/78/504585278.db2.gz WZMQVKVUQWSEFJ-RDTXWAMCSA-N 0 3 352.381 3.371 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccccc2OC2CCC2)cc1 ZINC000520798643 504585374 /nfs/dbraw/zinc/58/53/74/504585374.db2.gz YYKSXCHPHDTGLI-GOSISDBHSA-N 0 3 352.434 3.019 20 30 FGEDHN COC(=O)c1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000539505410 504592215 /nfs/dbraw/zinc/59/22/15/504592215.db2.gz ZFINPIRTTRAKTA-OAHLLOKOSA-N 0 3 371.412 3.144 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC(N3CCc4ccccc43)CC2)c1 ZINC000548865129 504597568 /nfs/dbraw/zinc/59/75/68/504597568.db2.gz XPQDTLVWMVMVSN-UHFFFAOYSA-N 0 3 374.488 3.414 20 30 FGEDHN CN(CCC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccncc1 ZINC000542787187 504610872 /nfs/dbraw/zinc/61/08/72/504610872.db2.gz GQLARVXGBHRWMI-UHFFFAOYSA-N 0 3 356.429 3.341 20 30 FGEDHN C=CC[C@H](CC)NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000539669187 504646101 /nfs/dbraw/zinc/64/61/01/504646101.db2.gz ACVLRGUGTWVWBZ-VQTJNVASSA-N 0 3 358.530 3.019 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(F)c1 ZINC000532563463 504692652 /nfs/dbraw/zinc/69/26/52/504692652.db2.gz CYAOJTWHZAYHNQ-QGZVFWFLSA-N 0 3 352.388 3.467 20 30 FGEDHN C[C@@H](C#N)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549126145 504695196 /nfs/dbraw/zinc/69/51/96/504695196.db2.gz LZBQOOZKCBYQCK-DZFGPLHGSA-N 0 3 362.477 3.113 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@H](C)c2ccc(C#N)cc2)CC(O)C1 ZINC000539882042 504728302 /nfs/dbraw/zinc/72/83/02/504728302.db2.gz HWUOLCKMQABZRL-QZTJIDSGSA-N 0 3 374.488 3.231 20 30 FGEDHN N#CC(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccncn1 ZINC000546154199 504729502 /nfs/dbraw/zinc/72/95/02/504729502.db2.gz XZNOMCWGTCEUBF-NSHDSACASA-N 0 3 355.247 3.169 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000549292688 504784822 /nfs/dbraw/zinc/78/48/22/504784822.db2.gz UPURTEDKMCWMOO-SFHVURJKSA-N 0 3 366.513 3.289 20 30 FGEDHN CN(C)[C@@H](CNC(=O)CSc1cccc(F)c1C#N)c1ccccc1 ZINC000565371139 504867348 /nfs/dbraw/zinc/86/73/48/504867348.db2.gz BPVDEMBTSORGTG-KRWDZBQOSA-N 0 3 357.454 3.209 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ccnc4cc(F)cnc43)CC2)cc1 ZINC000553263013 504867607 /nfs/dbraw/zinc/86/76/07/504867607.db2.gz ZGEFLFIXHCRQRA-UHFFFAOYSA-N 0 3 361.424 3.353 20 30 FGEDHN COc1ccc([C@@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 ZINC000562703550 504914835 /nfs/dbraw/zinc/91/48/35/504914835.db2.gz KIKXVYCWBZEMPA-RTWAWAEBSA-N 0 3 361.445 3.413 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000549920155 504933803 /nfs/dbraw/zinc/93/38/03/504933803.db2.gz QYAAXSBBXAYTGS-PWUKJLEFSA-N 0 3 373.884 3.476 20 30 FGEDHN Cc1c(Cl)cnc(NCc2ccc(OC3CCN(C)CC3)cc2)c1C#N ZINC000553589446 504956706 /nfs/dbraw/zinc/95/67/06/504956706.db2.gz LTVBZKHMBJXOED-UHFFFAOYSA-N 0 3 370.884 3.422 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000565685776 504957244 /nfs/dbraw/zinc/95/72/44/504957244.db2.gz AWAXZBCCPDWJPF-SNRMKQJTSA-N 0 3 361.917 3.264 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000562835289 504959475 /nfs/dbraw/zinc/95/94/75/504959475.db2.gz JDWXBWZBLKIUFB-DBVUQKKJSA-N 0 3 357.498 3.245 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N(C[C@@H]3CCCO3)C3CCCC3)C2=O)cc1 ZINC000560017570 504970788 /nfs/dbraw/zinc/97/07/88/504970788.db2.gz BPTIFDSOPQDBOE-SFTDATJTSA-N 0 3 367.493 3.477 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cn2)N(C)C)cc1 ZINC000553734802 504995134 /nfs/dbraw/zinc/99/51/34/504995134.db2.gz OLBOYGSAXSTFEK-FQEVSTJZSA-N 0 3 350.466 3.184 20 30 FGEDHN Cc1nc(SCC(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c(C#N)c(C)c1C ZINC000553775274 505006097 /nfs/dbraw/zinc/00/60/97/505006097.db2.gz JMHNOMUIMQNQIJ-FUHWJXTLSA-N 0 3 372.538 3.056 20 30 FGEDHN CN1C(=O)C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000565863463 505009280 /nfs/dbraw/zinc/00/92/80/505009280.db2.gz ZHOARZNXLDVQMD-SVFBPWRDSA-N 0 3 367.399 3.385 20 30 FGEDHN CC#CCN(C)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000550490726 505053163 /nfs/dbraw/zinc/05/31/63/505053163.db2.gz ACBCIIGUTQIUGN-FQEVSTJZSA-N 0 3 359.416 3.387 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000566033220 505059792 /nfs/dbraw/zinc/05/97/92/505059792.db2.gz MAQSNQNZXYFDDZ-QAPCUYQASA-N 0 3 364.449 3.351 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000557335812 505109721 /nfs/dbraw/zinc/10/97/21/505109721.db2.gz VGOJRLVESHLJQW-FQEVSTJZSA-N 0 3 372.490 3.066 20 30 FGEDHN C=CCn1c(CC(F)(F)F)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000566220512 505116478 /nfs/dbraw/zinc/11/64/78/505116478.db2.gz KRNOEWCCEIBPGV-UHFFFAOYSA-N 0 3 371.451 3.271 20 30 FGEDHN C=CCOc1cccc(CNCCNc2ccc(-c3ccccc3)nn2)c1 ZINC000550871550 505116785 /nfs/dbraw/zinc/11/67/85/505116785.db2.gz PSLAZWXZVWJKMN-UHFFFAOYSA-N 0 3 360.461 3.332 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NCCN1CCCC[C@H]1CC)c1ccccc1 ZINC000554233896 505122149 /nfs/dbraw/zinc/12/21/49/505122149.db2.gz UZAGJNZJYRHTEA-UXHICEINSA-N 0 3 371.525 3.191 20 30 FGEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)CN(C)C)cc1 ZINC000554423744 505171724 /nfs/dbraw/zinc/17/17/24/505171724.db2.gz UIEPWEOUMAYGDF-AWEZNQCLSA-N 0 3 368.437 3.431 20 30 FGEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000563708133 505217527 /nfs/dbraw/zinc/21/75/27/505217527.db2.gz MIPRKNKXGAZQDN-IIBYNOLFSA-N 0 3 355.457 3.350 20 30 FGEDHN CCNC(=O)C[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000551424082 505223295 /nfs/dbraw/zinc/22/32/95/505223295.db2.gz VQTLXXCRBFFYHD-QGZVFWFLSA-N 0 3 352.400 3.438 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)s1 ZINC000563848822 505256338 /nfs/dbraw/zinc/25/63/38/505256338.db2.gz IOYUNJREVWIISJ-CQSZACIVSA-N 0 3 374.535 3.393 20 30 FGEDHN COc1ccc(COC[C@@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000561137828 505260030 /nfs/dbraw/zinc/26/00/30/505260030.db2.gz MFJMCYXOJZHERG-SIKLNZKXSA-N 0 3 366.461 3.112 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000554776447 505261878 /nfs/dbraw/zinc/26/18/78/505261878.db2.gz YJCRAYSGKXMJFC-FQEVSTJZSA-N 0 3 362.521 3.369 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C#N)CCc1ccccc1 ZINC000561216050 505283222 /nfs/dbraw/zinc/28/32/22/505283222.db2.gz RGHDCGFCHUOFIE-SFHVURJKSA-N 0 3 352.434 3.449 20 30 FGEDHN Cc1cc(Cl)c2ncc(C#N)c(N3CCN(CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000554930730 505302155 /nfs/dbraw/zinc/30/21/55/505302155.db2.gz RHUPITBJEPBYIH-CQSZACIVSA-N 0 3 372.900 3.350 20 30 FGEDHN Cn1nccc1N1CCC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000554975945 505317253 /nfs/dbraw/zinc/31/72/53/505317253.db2.gz NYNQRUSOZQNEQU-HNNXBMFYSA-N 0 3 363.387 3.069 20 30 FGEDHN C[C@H]1[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000561373151 505329185 /nfs/dbraw/zinc/32/91/85/505329185.db2.gz YTUNTQKPHWHKKT-LAUBAEHRSA-N 0 3 359.473 3.369 20 30 FGEDHN N#CCc1cccc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000552007122 505368161 /nfs/dbraw/zinc/36/81/61/505368161.db2.gz IUAPDRMRBMEVOK-UHFFFAOYSA-N 0 3 356.429 3.263 20 30 FGEDHN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000567126686 505371186 /nfs/dbraw/zinc/37/11/86/505371186.db2.gz QYZNZHOCTLGWSF-IBGZPJMESA-N 0 3 366.513 3.249 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000558400089 505377602 /nfs/dbraw/zinc/37/76/02/505377602.db2.gz KBOYTXGVMPMHLL-KRWDZBQOSA-N 0 3 356.401 3.130 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000555240900 505388515 /nfs/dbraw/zinc/38/85/15/505388515.db2.gz FAHZXHSLUWCEGO-QGZVFWFLSA-N 0 3 355.486 3.487 20 30 FGEDHN C[C@H]1CCc2ccc(Br)cc2[C@H](NCCn2cnc(C#N)n2)C1 ZINC000552099540 505399615 /nfs/dbraw/zinc/39/96/15/505399615.db2.gz MAQMFKYSTBNDMC-BLLLJJGKSA-N 0 3 374.286 3.216 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000552226906 505434669 /nfs/dbraw/zinc/43/46/69/505434669.db2.gz SSOKUZYVQGJMLF-YWZLYKJASA-N 0 3 356.853 3.423 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000567338757 505434841 /nfs/dbraw/zinc/43/48/41/505434841.db2.gz XLSPVUAHZQIFSQ-LYRGGWFBSA-N 0 3 357.281 3.494 20 30 FGEDHN C[C@H]1C[C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000552277496 505448364 /nfs/dbraw/zinc/44/83/64/505448364.db2.gz WICPOCUBEJXPEN-HTAPYJJXSA-N 0 3 374.488 3.311 20 30 FGEDHN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000558673756 505459229 /nfs/dbraw/zinc/45/92/29/505459229.db2.gz KLANRDJOYCYVQR-UHFFFAOYSA-N 0 3 362.481 3.067 20 30 FGEDHN Cn1c2cc(NC3CCN(Cc4ccc(C#N)cc4)CC3)ccc2ccc1=O ZINC000555587358 505464920 /nfs/dbraw/zinc/46/49/20/505464920.db2.gz RUTRKNJAOAGMLA-UHFFFAOYSA-N 0 3 372.472 3.487 20 30 FGEDHN CO[C@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000567683125 505535296 /nfs/dbraw/zinc/53/52/96/505535296.db2.gz HXQOETWXKRWBQL-UYAOXDASSA-N 0 3 374.868 3.123 20 30 FGEDHN N#Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)cc(N)c1[N+](=O)[O-] ZINC000555900872 505536307 /nfs/dbraw/zinc/53/63/07/505536307.db2.gz NTGFYWJJIPYOJQ-INIZCTEOSA-N 0 3 355.398 3.281 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000559002577 505549959 /nfs/dbraw/zinc/54/99/59/505549959.db2.gz UNGKJYMXBAFXQI-HXUWFJFHSA-N 0 3 362.477 3.074 20 30 FGEDHN C[C@@H]1C[C@H]1c1ccc(CN(C[C@@H](O)CC2(C#N)CCOCC2)C2CC2)o1 ZINC000599252772 506386154 /nfs/dbraw/zinc/38/61/54/506386154.db2.gz RUNHIYXQMXLVNZ-HHXXYDBFSA-N 0 3 358.482 3.439 20 30 FGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599270583 506392707 /nfs/dbraw/zinc/39/27/07/506392707.db2.gz OSGPWYKEAMLLQQ-LJQANCHMSA-N 0 3 369.421 3.117 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](CSc2ccccc2)C1 ZINC000599303193 506402958 /nfs/dbraw/zinc/40/29/58/506402958.db2.gz LXZAJRNZWRAFGX-HKUYNNGSSA-N 0 3 368.502 3.412 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](CSc2ccccc2)C1 ZINC000599303197 506404484 /nfs/dbraw/zinc/40/44/84/506404484.db2.gz LXZAJRNZWRAFGX-MJGOQNOKSA-N 0 3 368.502 3.412 20 30 FGEDHN Cc1cc([C@@H](NC[C@H](O)COc2ccccc2C#N)C2CC2)ccc1F ZINC000599353810 506424678 /nfs/dbraw/zinc/42/46/78/506424678.db2.gz QSOWNDPEASSGJZ-RXVVDRJESA-N 0 3 354.425 3.486 20 30 FGEDHN C=C(C)[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599367167 506428385 /nfs/dbraw/zinc/42/83/85/506428385.db2.gz BQBDMJHCNJXHMK-MAUKXSAKSA-N 0 3 350.409 3.243 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccc2ncsc2c1 ZINC000599380129 506435181 /nfs/dbraw/zinc/43/51/81/506435181.db2.gz BSMURDRRDGZYPF-CJNGLKHVSA-N 0 3 353.447 3.258 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000599390553 506438262 /nfs/dbraw/zinc/43/82/62/506438262.db2.gz MWKONUKJMSCWFW-FZMZJTMJSA-N 0 3 362.779 3.037 20 30 FGEDHN N#CC1(C[C@H](O)CN2CC3(CC=CC3)[C@@H]2c2ccccc2)CCOCC1 ZINC000599451119 506460546 /nfs/dbraw/zinc/46/05/46/506460546.db2.gz AXGRBAWLNHIMDJ-PMACEKPBSA-N 0 3 352.478 3.451 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CC3(CC=CC3)[C@H]2c2ccccc2)CCOCC1 ZINC000599451123 506461842 /nfs/dbraw/zinc/46/18/42/506461842.db2.gz AXGRBAWLNHIMDJ-WOJBJXKFSA-N 0 3 352.478 3.451 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C#N)C2)N(C)C)cc1 ZINC000596601100 506483245 /nfs/dbraw/zinc/48/32/45/506483245.db2.gz MLOKQZNPJJDFFQ-TZIWHRDSSA-N 0 3 356.514 3.433 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 ZINC000582922167 506489832 /nfs/dbraw/zinc/48/98/32/506489832.db2.gz NFJTXFINUIZKRS-CTNGQTDRSA-N 0 3 365.477 3.187 20 30 FGEDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000582968265 506515082 /nfs/dbraw/zinc/51/50/82/506515082.db2.gz PRDIYYLCUUNBIG-AUUYWEPGSA-N 0 3 374.529 3.417 20 30 FGEDHN CC[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)N1CCc2ccccc2C1 ZINC000593304295 506527382 /nfs/dbraw/zinc/52/73/82/506527382.db2.gz BAGNRFSIQGJMSI-NRFANRHFSA-N 0 3 374.488 3.420 20 30 FGEDHN Cc1c(N)cccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000599610790 506529106 /nfs/dbraw/zinc/52/91/06/506529106.db2.gz HIPSQFWRVCCOPQ-UHFFFAOYSA-N 0 3 351.454 3.045 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000599657708 506558298 /nfs/dbraw/zinc/55/82/98/506558298.db2.gz LBZBIWCQDDCANX-QGZVFWFLSA-N 0 3 364.493 3.469 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)CCN1Cc1ccccc1 ZINC000593405592 506604625 /nfs/dbraw/zinc/60/46/25/506604625.db2.gz WLKSSYNDOUGCTA-KKSFZXQISA-N 0 3 360.461 3.246 20 30 FGEDHN CO[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000596827297 506621749 /nfs/dbraw/zinc/62/17/49/506621749.db2.gz COBBRBKMEBBNEX-FQEVSTJZSA-N 0 3 357.498 3.044 20 30 FGEDHN Cc1cc(NC(=O)NC[C@H]2CCN2C2CCCC2)c(C#N)cc1N(C)C ZINC000599786606 506636454 /nfs/dbraw/zinc/63/64/54/506636454.db2.gz FODGCOHYAZEVOQ-QGZVFWFLSA-N 0 3 355.486 3.071 20 30 FGEDHN COCCN(Cc1ccc(C)cc1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603895217 506651408 /nfs/dbraw/zinc/65/14/08/506651408.db2.gz YUBZCWDTXPBDIW-NRFANRHFSA-N 0 3 368.477 3.063 20 30 FGEDHN COc1cccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1OC ZINC000593687045 506730613 /nfs/dbraw/zinc/73/06/13/506730613.db2.gz BKBLCWIJHMWWQJ-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3ccn(-c4ccccc4)n3)CC2)c1 ZINC000593692326 506734593 /nfs/dbraw/zinc/73/45/93/506734593.db2.gz BIXDXBDIGLWYPK-UHFFFAOYSA-N 0 3 371.488 3.498 20 30 FGEDHN C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cc2n(n1)CCCC2 ZINC000593725125 506748808 /nfs/dbraw/zinc/74/88/08/506748808.db2.gz KTISJPOENASGGQ-KRWDZBQOSA-N 0 3 363.509 3.406 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1nc(C(F)(F)F)no1 ZINC000600030098 506751087 /nfs/dbraw/zinc/75/10/87/506751087.db2.gz AYXVSPWZWXCLGB-PWSUYJOCSA-N 0 3 352.316 3.038 20 30 FGEDHN COC[C@@H](C)Oc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000597128697 506791537 /nfs/dbraw/zinc/79/15/37/506791537.db2.gz DAAQTGPICYKQPO-OXQOHEQNSA-N 0 3 367.449 3.020 20 30 FGEDHN CN(CCN1CCCCC1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000593882957 506819139 /nfs/dbraw/zinc/81/91/39/506819139.db2.gz LYJWODZKQCKERT-UHFFFAOYSA-N 0 3 367.449 3.288 20 30 FGEDHN C=CCCNCc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000597183174 506820181 /nfs/dbraw/zinc/82/01/81/506820181.db2.gz GIQQKZUNGLIIBV-UHFFFAOYSA-N 0 3 356.260 3.365 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)C(C)C ZINC000609252634 506825927 /nfs/dbraw/zinc/82/59/27/506825927.db2.gz DMVRUXMVAXBVPU-IBGZPJMESA-N 0 3 358.461 3.195 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)F)nc1 ZINC000593962078 506852022 /nfs/dbraw/zinc/85/20/22/506852022.db2.gz RXMVKSLFKCDGJK-UHFFFAOYSA-N 0 3 358.392 3.095 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000593960851 506852277 /nfs/dbraw/zinc/85/22/77/506852277.db2.gz AFQQVNGOIJMPQS-GOSISDBHSA-N 0 3 374.488 3.199 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594066224 506917254 /nfs/dbraw/zinc/91/72/54/506917254.db2.gz JLCXXNYMQUHRQU-ZFWWWQNUSA-N 0 3 364.396 3.298 20 30 FGEDHN CC(C)O[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000583691290 506920795 /nfs/dbraw/zinc/92/07/95/506920795.db2.gz JZPQRRNSOXFKSP-CQSZACIVSA-N 0 3 361.511 3.326 20 30 FGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)N(CC)CC ZINC000613130727 506931767 /nfs/dbraw/zinc/93/17/67/506931767.db2.gz DELYWBNYGUHPCG-GJZGRUSLSA-N 0 3 352.276 3.250 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000590756307 506939191 /nfs/dbraw/zinc/93/91/91/506939191.db2.gz IFVUMKUDJNTSIG-CEWLAPEOSA-N 0 3 369.509 3.343 20 30 FGEDHN CN(CCN1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1CC1CC1 ZINC000597426282 506948155 /nfs/dbraw/zinc/94/81/55/506948155.db2.gz JYZCMWREXBCUAP-UHFFFAOYSA-N 0 3 364.497 3.149 20 30 FGEDHN N#Cc1ccc(C2(NC(=O)C(C#N)CCc3ccccc3)CCOCC2)cc1 ZINC000600477337 506965304 /nfs/dbraw/zinc/96/53/04/506965304.db2.gz LAJLMTOOLIBTRZ-HXUWFJFHSA-N 0 3 373.456 3.453 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)C(C)C ZINC000594216944 507017144 /nfs/dbraw/zinc/01/71/44/507017144.db2.gz QNIGLBOWZHFEOQ-HXUWFJFHSA-N 0 3 352.482 3.282 20 30 FGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000609921559 507050750 /nfs/dbraw/zinc/05/07/50/507050750.db2.gz MOBISJIBZXINAR-GXFFZTMASA-N 0 3 354.191 3.114 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3ccco3)C2)c(OC)c1 ZINC000600684396 507064848 /nfs/dbraw/zinc/06/48/48/507064848.db2.gz FQTCLGIDCLPIQF-QZTJIDSGSA-N 0 3 357.450 3.246 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000600734892 507090229 /nfs/dbraw/zinc/09/02/29/507090229.db2.gz GZERBTCTBMZZPD-HZMBPMFUSA-N 0 3 353.235 3.220 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000600715653 507079166 /nfs/dbraw/zinc/07/91/66/507079166.db2.gz AQXQOXDTTZQOTK-ZBFHGGJFSA-N 0 3 350.459 3.024 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000600734911 507090480 /nfs/dbraw/zinc/09/04/80/507090480.db2.gz GZERBTCTBMZZPD-IINYFYTJSA-N 0 3 353.235 3.220 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000594368646 507095800 /nfs/dbraw/zinc/09/58/00/507095800.db2.gz MDLMSYFHPZIJDD-OAHLLOKOSA-N 0 3 369.440 3.455 20 30 FGEDHN COc1ccc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)cc1OC ZINC000594427168 507127288 /nfs/dbraw/zinc/12/72/88/507127288.db2.gz TVPGFZWHWSPWBE-ZDUSSCGKSA-N 0 3 374.466 3.177 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000594426344 507127819 /nfs/dbraw/zinc/12/78/19/507127819.db2.gz CGEZEWNRZKVODY-OAHLLOKOSA-N 0 3 364.421 3.362 20 30 FGEDHN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594430187 507129172 /nfs/dbraw/zinc/12/91/72/507129172.db2.gz ZZNSUMKQIBSYMC-SOLBZPMBSA-N 0 3 370.497 3.154 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Br)cc1Cl ZINC000594432180 507129382 /nfs/dbraw/zinc/12/93/82/507129382.db2.gz ZHDVTZLKJFNWDM-CYBMUJFWSA-N 0 3 358.667 3.130 20 30 FGEDHN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594431025 507129614 /nfs/dbraw/zinc/12/96/14/507129614.db2.gz GAQFKZMMYRQENW-CJNGLKHVSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000594432058 507129731 /nfs/dbraw/zinc/12/97/31/507129731.db2.gz WHKGEULOSPTXCL-AWEZNQCLSA-N 0 3 358.269 3.290 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000594445225 507137333 /nfs/dbraw/zinc/13/73/33/507137333.db2.gz ILEWNPBCLRDMFU-OAHLLOKOSA-N 0 3 358.269 3.037 20 30 FGEDHN COCCOc1c(Cl)cc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594443771 507134966 /nfs/dbraw/zinc/13/49/66/507134966.db2.gz UPCWHFJYQLUDKP-CQSZACIVSA-N 0 3 374.268 3.368 20 30 FGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(OCc2ccccn2)c1 ZINC000594441124 507135375 /nfs/dbraw/zinc/13/53/75/507135375.db2.gz NKGKAGRLEYZIDZ-OXJNMPFZSA-N 0 3 366.465 3.249 20 30 FGEDHN CC[C@@H](Cc1ccccc1Br)NC(=O)[C@@H](N)CCCCC#N ZINC000594446038 507136845 /nfs/dbraw/zinc/13/68/45/507136845.db2.gz OYJMMPNZCKMDSS-HOCLYGCPSA-N 0 3 366.303 3.298 20 30 FGEDHN CCCc1c(NC(=O)[C@H](N)CCCCC#N)cnn1-c1ccc(F)cc1 ZINC000594456853 507143209 /nfs/dbraw/zinc/14/32/09/507143209.db2.gz UGMYYFVDULQQEJ-MRXNPFEDSA-N 0 3 357.433 3.314 20 30 FGEDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000594505624 507159241 /nfs/dbraw/zinc/15/92/41/507159241.db2.gz WJWYFTSOGLOYNF-UHFFFAOYSA-N 0 3 350.466 3.260 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000597904741 507164874 /nfs/dbraw/zinc/16/48/74/507164874.db2.gz STQZFYLNYOFBDN-ROUUACIJSA-N 0 3 361.436 3.296 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000597925866 507177941 /nfs/dbraw/zinc/17/79/41/507177941.db2.gz XLKYPISTMCKCEC-KRWDZBQOSA-N 0 3 367.449 3.333 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C ZINC000610321432 507193295 /nfs/dbraw/zinc/19/32/95/507193295.db2.gz UJSNHQRSGCZBSG-GOEBONIOSA-N 0 3 365.437 3.350 20 30 FGEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610320973 507193921 /nfs/dbraw/zinc/19/39/21/507193921.db2.gz AKKKXYOIVUTAGT-UHFFFAOYSA-N 0 3 365.437 3.305 20 30 FGEDHN C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000610347765 507205934 /nfs/dbraw/zinc/20/59/34/507205934.db2.gz WHCVLXKSROVYJY-KRWDZBQOSA-N 0 3 362.477 3.367 20 30 FGEDHN CN1CCN(CC2(C)CCN(c3ncc(C#N)c4ccsc43)CC2)CC1 ZINC000601142439 507275953 /nfs/dbraw/zinc/27/59/53/507275953.db2.gz RALNNLIIMBPODA-UHFFFAOYSA-N 0 3 369.538 3.022 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000610538444 507280388 /nfs/dbraw/zinc/28/03/88/507280388.db2.gz QWKDTBJUQCJYMH-OXJNMPFZSA-N 0 3 354.450 3.281 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000598194740 507306611 /nfs/dbraw/zinc/30/66/11/507306611.db2.gz HJOJRGBXJAHKJJ-SIKLNZKXSA-N 0 3 351.494 3.236 20 30 FGEDHN CN(C)CC1(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCC1 ZINC000584380679 507311782 /nfs/dbraw/zinc/31/17/82/507311782.db2.gz NZCYTEDSMYXNLZ-UHFFFAOYSA-N 0 3 365.437 3.351 20 30 FGEDHN N#CC1(c2ccc(CN[C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)cc2)CC1 ZINC000594930635 507319400 /nfs/dbraw/zinc/31/94/00/507319400.db2.gz YEGLGKSGRUHBJR-FSSWDIPSSA-N 0 3 371.484 3.488 20 30 FGEDHN CCOc1ccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000594940913 507322427 /nfs/dbraw/zinc/32/24/27/507322427.db2.gz VNFSNZQYHNTCHX-OAQYLSRUSA-N 0 3 363.461 3.156 20 30 FGEDHN C[C@@H](Cn1ncc2ccccc2c1=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594940025 507323026 /nfs/dbraw/zinc/32/30/26/507323026.db2.gz XQTOMXDMCDAXFI-INIZCTEOSA-N 0 3 358.445 3.130 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)ccc1OC ZINC000594960697 507333790 /nfs/dbraw/zinc/33/37/90/507333790.db2.gz KIRFGRODGGEZHV-HOZJOUCCSA-N 0 3 351.512 3.429 20 30 FGEDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594964699 507334494 /nfs/dbraw/zinc/33/44/94/507334494.db2.gz MHUYQUFXYYRGHU-DGUDUIIESA-N 0 3 370.522 3.243 20 30 FGEDHN N#Cc1csc(CNC2(CN3CCN(c4ccccc4)CC3)CC2)c1 ZINC000594990534 507345404 /nfs/dbraw/zinc/34/54/04/507345404.db2.gz ZTTSWTXNFYKUER-UHFFFAOYSA-N 0 3 352.507 3.064 20 30 FGEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000591759679 507351177 /nfs/dbraw/zinc/35/11/77/507351177.db2.gz TVBKRLGTUXTJTD-IERDGZPVSA-N 0 3 360.461 3.213 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)COCc1ccccc1Cl ZINC000591763874 507352066 /nfs/dbraw/zinc/35/20/66/507352066.db2.gz OVDFJBBYFSXEPV-YLJYHZDGSA-N 0 3 356.853 3.366 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000591764045 507352900 /nfs/dbraw/zinc/35/29/00/507352900.db2.gz TWSRLNJRKHAGFT-PKOBYXMFSA-N 0 3 372.465 3.397 20 30 FGEDHN CCOc1cccc([C@@H]2C[C@H]2NC[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000591764588 507352913 /nfs/dbraw/zinc/35/29/13/507352913.db2.gz DPRXBHRGWZSSKS-BVYCBKJFSA-N 0 3 366.461 3.037 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC)CN1CCCC1 ZINC000610722109 507364660 /nfs/dbraw/zinc/36/46/60/507364660.db2.gz HHOSFROKSYQPFV-QGZVFWFLSA-N 0 3 360.458 3.167 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2ccc(I)cc21 ZINC000595041703 507365634 /nfs/dbraw/zinc/36/56/34/507365634.db2.gz OQARJWSZFVDMOD-KFWWJZLASA-N 0 3 355.219 3.212 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000598344057 507384920 /nfs/dbraw/zinc/38/49/20/507384920.db2.gz ZAKQWGGWRHJWOV-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC000610786217 507389926 /nfs/dbraw/zinc/38/99/26/507389926.db2.gz JUROEYJMFIQRCE-UHFFFAOYSA-N 0 3 369.509 3.488 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N1CCOCC1 ZINC000591885760 507396447 /nfs/dbraw/zinc/39/64/47/507396447.db2.gz KUAZKPIKFLTGAV-IERDGZPVSA-N 0 3 353.441 3.249 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1OC ZINC000584547550 507404152 /nfs/dbraw/zinc/40/41/52/507404152.db2.gz HHBSCUKKFODJRU-JFIYKMOQSA-N 0 3 358.482 3.062 20 30 FGEDHN CC(C#N)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000598436850 507427840 /nfs/dbraw/zinc/42/78/40/507427840.db2.gz WZGYRVDUHZSJMF-QMMMGPOBSA-N 0 3 372.060 3.256 20 30 FGEDHN CNS(=O)(=O)c1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000595297070 507453686 /nfs/dbraw/zinc/45/36/86/507453686.db2.gz PNPKUQKIBOXDFS-UHFFFAOYSA-N 0 3 371.506 3.125 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1cccc(OC)c1 ZINC000595440344 507497411 /nfs/dbraw/zinc/49/74/11/507497411.db2.gz ITFWHYDFQURDFN-XLIONFOSSA-N 0 3 372.513 3.413 20 30 FGEDHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(C#N)cc1C)CC2 ZINC000614402873 507497548 /nfs/dbraw/zinc/49/75/48/507497548.db2.gz WFDDJRPJZNYYHP-UHFFFAOYSA-N 0 3 366.461 3.493 20 30 FGEDHN CN(C[C@H](O)CC(C)(C)C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000598587014 507508765 /nfs/dbraw/zinc/50/87/65/507508765.db2.gz LRNWVYJGMDMNPK-HFBAOOFYSA-N 0 3 357.281 3.184 20 30 FGEDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598596409 507512980 /nfs/dbraw/zinc/51/29/80/507512980.db2.gz PPYKITQPIAFOJD-PKOBYXMFSA-N 0 3 372.513 3.129 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@H](n3cncn3)C2)c1 ZINC000614453060 507521321 /nfs/dbraw/zinc/52/13/21/507521321.db2.gz DJYOCKSZOLXIRT-FQEVSTJZSA-N 0 3 359.433 3.176 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000592183760 507527443 /nfs/dbraw/zinc/52/74/43/507527443.db2.gz WRNZXAMUOFMPDV-IBGZPJMESA-N 0 3 369.509 3.441 20 30 FGEDHN COc1cccc(SCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000595501480 507532043 /nfs/dbraw/zinc/53/20/43/507532043.db2.gz KYENLCRXGIAOFJ-KRWDZBQOSA-N 0 3 355.463 3.207 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2O1 ZINC000614503180 507544859 /nfs/dbraw/zinc/54/48/59/507544859.db2.gz OMSGUEBPUWNMIT-OAHLLOKOSA-N 0 3 355.825 3.181 20 30 FGEDHN N#Cc1c(F)cccc1CNc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000602007095 507549785 /nfs/dbraw/zinc/54/97/85/507549785.db2.gz MSCDZWSXMMAIFK-UHFFFAOYSA-N 0 3 366.440 3.007 20 30 FGEDHN N#Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000595545159 507553742 /nfs/dbraw/zinc/55/37/42/507553742.db2.gz PHOUZXXZKVNKLB-DLBZAZTESA-N 0 3 373.378 3.278 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000598719420 507566998 /nfs/dbraw/zinc/56/69/98/507566998.db2.gz HZWZIYOFIDLYMC-LJQANCHMSA-N 0 3 369.440 3.468 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000611225357 507569617 /nfs/dbraw/zinc/56/96/17/507569617.db2.gz KQSSNCKRBRBXEU-GJZGRUSLSA-N 0 3 374.554 3.242 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Nc1cccc(C#N)n1)c1cccc(OC)c1 ZINC000592272466 507582338 /nfs/dbraw/zinc/58/23/38/507582338.db2.gz FMTORDYHXNFDBJ-SFHVURJKSA-N 0 3 367.453 3.166 20 30 FGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611254815 507584137 /nfs/dbraw/zinc/58/41/37/507584137.db2.gz ZVHVABJCKCAKCG-UHFFFAOYSA-N 0 3 357.479 3.340 20 30 FGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000595605063 507586214 /nfs/dbraw/zinc/58/62/14/507586214.db2.gz UMRZOKJIXRAGLR-XJKSGUPXSA-N 0 3 355.438 3.347 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595661943 507617866 /nfs/dbraw/zinc/61/78/66/507617866.db2.gz DGZVTBYXVVJGNG-LJQANCHMSA-N 0 3 352.482 3.230 20 30 FGEDHN C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@H]3CCC[C@H](C#N)C3)c2)C1=O ZINC000585765463 507619925 /nfs/dbraw/zinc/61/99/25/507619925.db2.gz HTZDHNNJBRVBRI-XXHMAFKTSA-N 0 3 366.465 3.083 20 30 FGEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000611387630 507656487 /nfs/dbraw/zinc/65/64/87/507656487.db2.gz RBBSVCMYGRMKSC-AWEZNQCLSA-N 0 3 352.394 3.454 20 30 FGEDHN CCNC(=O)COc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611391047 507658813 /nfs/dbraw/zinc/65/88/13/507658813.db2.gz NVMZBWPURIZEAQ-NRFANRHFSA-N 0 3 363.461 3.240 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCNC(=O)c1c(F)cccc1F ZINC000611394163 507658833 /nfs/dbraw/zinc/65/88/33/507658833.db2.gz NKZAOTRVZXNBJT-SFHVURJKSA-N 0 3 355.388 3.233 20 30 FGEDHN N#Cc1cccc(C2(NCCOCC(F)(F)C(F)F)CCOCC2)c1 ZINC000595768205 507676186 /nfs/dbraw/zinc/67/61/86/507676186.db2.gz HNSXXOCUHJMNGV-UHFFFAOYSA-N 0 3 360.351 3.071 20 30 FGEDHN COc1cccc(CN(Cc2cccc(C#N)n2)C2CCC(O)CC2)c1 ZINC000602460320 507716358 /nfs/dbraw/zinc/71/63/58/507716358.db2.gz YZSBFOGLVVBMJR-UHFFFAOYSA-N 0 3 351.450 3.268 20 30 FGEDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602515892 507735313 /nfs/dbraw/zinc/73/53/13/507735313.db2.gz DQIBBWQDWQXAEO-IAGOWNOFSA-N 0 3 357.498 3.403 20 30 FGEDHN COCC1(NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCCCC1 ZINC000595909642 507737369 /nfs/dbraw/zinc/73/73/69/507737369.db2.gz ALQALEUHWMLOFG-UHFFFAOYSA-N 0 3 357.498 3.489 20 30 FGEDHN C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[C@H](N)c1ccccc1 ZINC000602553582 507747356 /nfs/dbraw/zinc/74/73/56/507747356.db2.gz DLWXQEYMVIGCPD-JXFKEZNVSA-N 0 3 363.461 3.016 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000636743261 568001253 /nfs/dbraw/zinc/00/12/53/568001253.db2.gz ZROCAHWLMWWWLS-ZCNNSNEGSA-N 0 3 363.546 3.142 20 30 FGEDHN CC[NH+](CC)Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737089063 600591156 /nfs/dbraw/zinc/59/11/56/600591156.db2.gz XZWNOQHPRPDKJZ-HXUWFJFHSA-N 0 3 351.450 3.316 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000069245489 695948446 /nfs/dbraw/zinc/94/84/46/695948446.db2.gz PJESPKXMRRPIAA-ZDUSSCGKSA-N 0 3 360.321 3.339 20 30 FGEDHN C=CCn1c(-c2ccco2)nn(CN2CCN(CC(C)C)CC2)c1=S ZINC000073135440 695966278 /nfs/dbraw/zinc/96/62/78/695966278.db2.gz PLQJCTFXJOBOPA-UHFFFAOYSA-N 0 3 361.515 3.091 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCCCO1 ZINC000121947841 700682977 /nfs/dbraw/zinc/68/29/77/700682977.db2.gz FBXLQCLQLWWMLF-CHWSQXEVSA-N 0 3 354.378 3.218 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000125718773 700738922 /nfs/dbraw/zinc/73/89/22/700738922.db2.gz NBQLUEWBIQVCSK-ZDUSSCGKSA-N 0 3 354.809 3.263 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)c1cncc(C)c1 ZINC000131988108 700822326 /nfs/dbraw/zinc/82/23/26/700822326.db2.gz RSGDUABEXUZEIE-ZDUSSCGKSA-N 0 3 357.797 3.322 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cncc(F)c1 ZINC000151584440 704929503 /nfs/dbraw/zinc/92/95/03/704929503.db2.gz CMZQCKLIVBVMNL-CYBMUJFWSA-N 0 3 365.336 3.497 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cncc(F)c1 ZINC000151619877 704930509 /nfs/dbraw/zinc/93/05/09/704930509.db2.gz KEURJHGFEZWSTO-CYBMUJFWSA-N 0 3 352.152 3.489 20 30 FGEDHN CC(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C ZINC000177601563 705629972 /nfs/dbraw/zinc/62/99/72/705629972.db2.gz IMVWDVAGIHOFAK-NSHDSACASA-N 0 3 362.792 3.297 20 30 FGEDHN CCC(CC)(CN[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000192698577 712871410 /nfs/dbraw/zinc/87/14/10/712871410.db2.gz IHJTVHNUGUKEAW-LBPRGKRZSA-N 0 3 365.861 3.108 20 30 FGEDHN CCO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193405680 712890151 /nfs/dbraw/zinc/89/01/51/712890151.db2.gz PKDCXZHPGZLMOP-JHJVBQTASA-N 0 3 354.378 3.074 20 30 FGEDHN CCCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)s1 ZINC000193496738 712893313 /nfs/dbraw/zinc/89/33/13/712893313.db2.gz XUGAUMAWHRRVFZ-CQSZACIVSA-N 0 3 357.435 3.374 20 30 FGEDHN C=C(Br)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000195180878 713548049 /nfs/dbraw/zinc/54/80/49/713548049.db2.gz LUBNTCGZLGFQLU-OAHLLOKOSA-N 0 3 352.276 3.031 20 30 FGEDHN O=C(NCCN[C@H]1CCc2c1ccc(Cl)c2Cl)C1N=CC=CC1=O ZINC000255139849 713685644 /nfs/dbraw/zinc/68/56/44/713685644.db2.gz LCPQCLUGKJIUFI-CMTMBAJVSA-N 0 3 366.248 3.097 20 30 FGEDHN COCCC[NH+]1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000255913671 713710486 /nfs/dbraw/zinc/71/04/86/713710486.db2.gz VPSBEZKOVLLNNJ-PDGQHHTCSA-N 0 3 355.276 3.075 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000426449647 714018913 /nfs/dbraw/zinc/01/89/13/714018913.db2.gz INKHLWARRJTEAD-OAHLLOKOSA-N 0 3 356.392 3.301 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000573437457 714450919 /nfs/dbraw/zinc/45/09/19/714450919.db2.gz BHHMILDODJOMIZ-VQTJNVASSA-N 0 3 357.885 3.225 20 30 FGEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000573437455 714451071 /nfs/dbraw/zinc/45/10/71/714451071.db2.gz BHHMILDODJOMIZ-PMACEKPBSA-N 0 3 357.885 3.225 20 30 FGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000802800778 724408018 /nfs/dbraw/zinc/40/80/18/724408018.db2.gz VBSXZJSNGOENOU-SOUVJXGZSA-N 0 3 352.356 3.332 20 30 FGEDHN CC(=O)c1cc(C#N)ccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000650079037 718615615 /nfs/dbraw/zinc/61/56/15/718615615.db2.gz JTZYMBMFBNPHBI-OCCSQVGLSA-N 0 3 354.328 3.447 20 30 FGEDHN C=CCN1C(=O)CC[C@]12CCCN(c1cc(CN(C)C)ccn1)[C@H]2CC ZINC001164700731 719823837 /nfs/dbraw/zinc/82/38/37/719823837.db2.gz MBDBYUPYMZBDDO-RXVVDRJESA-N 0 3 356.514 3.069 20 30 FGEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000661415419 720245095 /nfs/dbraw/zinc/24/50/95/720245095.db2.gz RXHNRCKEIOHRLR-HKUYNNGSSA-N 0 3 351.535 3.310 20 30 FGEDHN Cn1ccc(CC(=O)C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 ZINC000782583987 724684544 /nfs/dbraw/zinc/68/45/44/724684544.db2.gz XYWGSCUYFRAJIK-LLVKDONJSA-N 0 3 364.352 3.468 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1Cl ZINC000783358060 724749079 /nfs/dbraw/zinc/74/90/79/724749079.db2.gz WWDWJAAUWYGQDB-NTZNESFSSA-N 0 3 362.813 3.001 20 30 FGEDHN N#Cc1cc(Cl)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909841 721548013 /nfs/dbraw/zinc/54/80/13/721548013.db2.gz SBYPCNODNAQPJW-FUHWJXTLSA-N 0 3 372.831 3.088 20 30 FGEDHN C=C(Br)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000726239283 722432318 /nfs/dbraw/zinc/43/23/18/722432318.db2.gz YRPYSNQRDUTECJ-UKRRQHHQSA-N 0 3 352.276 3.030 20 30 FGEDHN N#CCCN(CC1CC1)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000728790344 722454466 /nfs/dbraw/zinc/45/44/66/722454466.db2.gz SCLQYRCMGOVLBS-UHFFFAOYSA-N 0 3 356.539 3.151 20 30 FGEDHN COC(=O)N(C)CC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000746416182 722602018 /nfs/dbraw/zinc/60/20/18/722602018.db2.gz KDJMYBQFASUZIT-SECBINFHSA-N 0 3 371.340 3.190 20 30 FGEDHN COc1ccc(NC(=S)NN=C2CCCC[C@H]2N2CCCCC2)cn1 ZINC000748788255 722704298 /nfs/dbraw/zinc/70/42/98/722704298.db2.gz PRGYMIBIKGAQKX-MRXNPFEDSA-N 0 3 361.515 3.161 20 30 FGEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000754818255 722946291 /nfs/dbraw/zinc/94/62/91/722946291.db2.gz NZZYGFNSCAGODE-LBPRGKRZSA-N 0 3 357.797 3.483 20 30 FGEDHN C#CCNC(=S)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000758233682 722986690 /nfs/dbraw/zinc/98/66/90/722986690.db2.gz KWZRDAPNQZBHIP-GOEBONIOSA-N 0 3 369.456 3.186 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CCCCN1C1CC1 ZINC000765796815 723541693 /nfs/dbraw/zinc/54/16/93/723541693.db2.gz LVVZUCNQXYJZEZ-QGZVFWFLSA-N 0 3 350.384 3.190 20 30 FGEDHN CSC[C@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000767905472 723639031 /nfs/dbraw/zinc/63/90/31/723639031.db2.gz HIYXMVVTPPQTKI-CABCVRRESA-N 0 3 352.463 3.051 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000796739750 723652812 /nfs/dbraw/zinc/65/28/12/723652812.db2.gz FFBOUDPJIYRLGN-SIIHOXLZSA-N 0 3 362.495 3.403 20 30 FGEDHN C#CCNC(=O)C1CCN(C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000769026163 723674964 /nfs/dbraw/zinc/67/49/64/723674964.db2.gz SUABUXMUZHXHQW-CQSZACIVSA-N 0 3 363.299 3.014 20 30 FGEDHN N#CC(C(=O)CCC(=O)c1ccc(Cl)cn1)c1nc2ccccc2[nH]1 ZINC000769280492 723681342 /nfs/dbraw/zinc/68/13/42/723681342.db2.gz NCYTWWVTJPPXKU-LBPRGKRZSA-N 0 3 352.781 3.451 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)=C(Br)C2)CC1 ZINC000797450293 723819302 /nfs/dbraw/zinc/81/93/02/723819302.db2.gz IKHRFUFVIAHFJE-UHFFFAOYSA-N 0 3 356.308 3.111 20 30 FGEDHN COc1cc(CNC[C@@H](O)c2ccccc2C(F)(F)F)ccc1C#N ZINC000799335328 724013259 /nfs/dbraw/zinc/01/32/59/724013259.db2.gz YIBQGKNHEXETIY-MRXNPFEDSA-N 0 3 350.340 3.409 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNCCc1cccc(C(=O)NC)c1 ZINC000778169099 724305847 /nfs/dbraw/zinc/30/58/47/724305847.db2.gz NSNNNCDTOZCJCD-UHFFFAOYSA-N 0 3 356.853 3.044 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000801734514 724329012 /nfs/dbraw/zinc/32/90/12/724329012.db2.gz GNKIFPAVGPSJSJ-KXBFYZLASA-N 0 3 363.885 3.009 20 30 FGEDHN C#CCOc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000802380660 724380122 /nfs/dbraw/zinc/38/01/22/724380122.db2.gz DPBYVGLPFQNXFN-IBGZPJMESA-N 0 3 356.853 3.385 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCOCC1 ZINC000786314548 724972582 /nfs/dbraw/zinc/97/25/82/724972582.db2.gz ZWIMWGRAVVTZTM-IINYFYTJSA-N 0 3 355.221 3.457 20 30 FGEDHN N#CC(C(=O)CCc1ncccn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000813059697 726834459 /nfs/dbraw/zinc/83/44/59/726834459.db2.gz FXTNDHMQOBKXOU-NSHDSACASA-N 0 3 363.204 3.064 20 30 FGEDHN COc1cccc(CN2CCC(NC(=O)c3cscc3C#N)CC2)c1 ZINC000814583676 726983359 /nfs/dbraw/zinc/98/33/59/726983359.db2.gz CYSVRJLFXQHFLO-UHFFFAOYSA-N 0 3 355.463 3.023 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)Cc1cccc(Br)c1 ZINC000818612268 727316719 /nfs/dbraw/zinc/31/67/19/727316719.db2.gz RNJBKBLJSDZJHZ-INIZCTEOSA-N 0 3 365.315 3.089 20 30 FGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cccn1 ZINC000819943140 728955737 /nfs/dbraw/zinc/95/57/37/728955737.db2.gz OVVUFQGYQOOGNU-HZMBPMFUSA-N 0 3 365.220 3.489 20 30 FGEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000838624111 730131816 /nfs/dbraw/zinc/13/18/16/730131816.db2.gz HMAQHVKIFNLONA-UHFFFAOYSA-N 0 3 357.376 3.013 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC)cc1Cl ZINC000842289969 730481077 /nfs/dbraw/zinc/48/10/77/730481077.db2.gz VHCLVMLKGATOED-WFASDCNBSA-N 0 3 352.818 3.057 20 30 FGEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000842343752 730488000 /nfs/dbraw/zinc/48/80/00/730488000.db2.gz SSQXFCFLIJLBLW-IRXDYDNUSA-N 0 3 362.857 3.403 20 30 FGEDHN COc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000846006276 730917737 /nfs/dbraw/zinc/91/77/37/730917737.db2.gz JXWUJBCUEOBSDC-QGZVFWFLSA-N 0 3 360.841 3.394 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000850757509 731385304 /nfs/dbraw/zinc/38/53/04/731385304.db2.gz LLSPGFNIUGINNF-ZWNOBZJWSA-N 0 3 355.221 3.317 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000850757506 731385368 /nfs/dbraw/zinc/38/53/68/731385368.db2.gz LLSPGFNIUGINNF-GWCFXTLKSA-N 0 3 355.221 3.317 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000850761700 731386121 /nfs/dbraw/zinc/38/61/21/731386121.db2.gz QJIOZQYIKSBXFW-GXFFZTMASA-N 0 3 355.221 3.317 20 30 FGEDHN CC(C)(C)OC(=O)N(CCCC=Nn1cnnc1)C(=O)OC(C)(C)C ZINC000853254072 731688423 /nfs/dbraw/zinc/68/84/23/731688423.db2.gz LBTYEMPSWNUZFM-UHFFFAOYSA-N 0 3 353.423 3.064 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC2=C(CCC(=O)N2)C1 ZINC000853520644 731717190 /nfs/dbraw/zinc/71/71/90/731717190.db2.gz MYPXZSRODAKCFR-UHFFFAOYSA-N 0 3 354.479 3.142 20 30 FGEDHN C#CCCCCCC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000854334829 731817269 /nfs/dbraw/zinc/81/72/69/731817269.db2.gz SMCCNPLGCOWKTJ-IBGZPJMESA-N 0 3 350.547 3.290 20 30 FGEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@H]2CCN(C)C2)s1 ZINC000855363113 731922021 /nfs/dbraw/zinc/92/20/21/731922021.db2.gz VXHNXKVNBSKGQF-ZDUSSCGKSA-N 0 3 373.975 3.391 20 30 FGEDHN O=C(CN1CCCCCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000856883659 732074149 /nfs/dbraw/zinc/07/41/49/732074149.db2.gz LNWIOCQQSPWTBB-UHFFFAOYSA-N 0 3 352.400 3.439 20 30 FGEDHN C#CC[C@H](COC)NCc1cn(-c2ccc(Br)cc2)nc1C ZINC000858335095 732204755 /nfs/dbraw/zinc/20/47/55/732204755.db2.gz MKOWEYWUNZPEML-MRXNPFEDSA-N 0 3 362.271 3.071 20 30 FGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000860470234 732518763 /nfs/dbraw/zinc/51/87/63/732518763.db2.gz XYPYZGXIPMINNQ-VSZNYVQBSA-N 0 3 356.853 3.383 20 30 FGEDHN CC[C@H](C(=O)C(C#N)C(=O)NC(C)C)c1ccc(Br)cc1 ZINC000860472550 732519175 /nfs/dbraw/zinc/51/91/75/732519175.db2.gz KPFIYWUKIJWEGU-KBPBESRZSA-N 0 3 351.244 3.176 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccsc1COC ZINC000870140093 733815667 /nfs/dbraw/zinc/81/56/67/733815667.db2.gz DUOJFHYLVFCFRK-ZDUSSCGKSA-N 0 3 358.419 3.254 20 30 FGEDHN Cn1c2ccccc2c(Br)c1CNC1CCN(CC#N)CC1 ZINC000873048029 735714665 /nfs/dbraw/zinc/71/46/65/735714665.db2.gz MXOKOYAIPHFYBK-UHFFFAOYSA-N 0 3 361.287 3.018 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000876550023 736112510 /nfs/dbraw/zinc/11/25/10/736112510.db2.gz MSQHBCSCRVAXMI-HNNXBMFYSA-N 0 3 359.861 3.080 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000876748417 736139737 /nfs/dbraw/zinc/13/97/37/736139737.db2.gz BFPQMWFVAGGNQP-ZFWWWQNUSA-N 0 3 356.297 3.061 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000876934430 736164552 /nfs/dbraw/zinc/16/45/52/736164552.db2.gz HCKZBRYQSUKHJH-LBPRGKRZSA-N 0 3 373.678 3.033 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000876941005 736165765 /nfs/dbraw/zinc/16/57/65/736165765.db2.gz DUIMNMWEMNFXDM-LLVKDONJSA-N 0 3 363.708 3.472 20 30 FGEDHN N#CCOc1ccc(Cl)cc1CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000878873211 736927803 /nfs/dbraw/zinc/92/78/03/736927803.db2.gz IXRXGACPVLVTBZ-ROUUACIJSA-N 0 3 364.873 3.042 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1CCSc3ccc(Cl)cc31)C2 ZINC000884062708 737629641 /nfs/dbraw/zinc/62/96/41/737629641.db2.gz ZCWOFPXEXGPGMZ-XOFPWGPXSA-N 0 3 361.898 3.132 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)C2 ZINC000884125658 737635882 /nfs/dbraw/zinc/63/58/82/737635882.db2.gz DWBGMWNHEJOTNQ-CAZWYBIWSA-N 0 3 357.885 3.437 20 30 FGEDHN C#CCN(C(=O)c1cc(F)cc(Br)c1C)C1CCN(C)CC1 ZINC000886571107 739270521 /nfs/dbraw/zinc/27/05/21/739270521.db2.gz JIRYBUKDCMXJPR-UHFFFAOYSA-N 0 3 367.262 3.066 20 30 FGEDHN C#CCN(C(=O)c1sc2ccc(C#N)cc2c1C)C1CCN(C)CC1 ZINC000886575955 739271744 /nfs/dbraw/zinc/27/17/44/739271744.db2.gz QIVKYCLAWHAHTP-UHFFFAOYSA-N 0 3 351.475 3.251 20 30 FGEDHN CN1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccccc1 ZINC000888419008 739519905 /nfs/dbraw/zinc/51/99/05/739519905.db2.gz GJVBHRPDWNGFLE-WCQYABFASA-N 0 3 361.858 3.235 20 30 FGEDHN C=CCOc1cccc(CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 ZINC000898398071 742788541 /nfs/dbraw/zinc/78/85/41/742788541.db2.gz AZBQHUGYDLNVBS-RUZDIDTESA-N 0 3 365.543 3.038 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccnn1CCN(C)C ZINC000900636110 743141223 /nfs/dbraw/zinc/14/12/23/743141223.db2.gz HNXPEHDCGNRDER-AWEZNQCLSA-N 0 3 357.483 3.091 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSC(C)C ZINC000916900987 758152483 /nfs/dbraw/zinc/15/24/83/758152483.db2.gz VYOBPTDXUCDVEK-LLVKDONJSA-N 0 3 354.859 3.446 20 30 FGEDHN Cc1cc(Cl)nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000930979824 760744356 /nfs/dbraw/zinc/74/43/56/760744356.db2.gz PMCUTRVMJJSDMV-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN CN(C)C[C@@H](NC(=O)N[C@H](CC#N)C(F)(F)F)c1ccc(Cl)cc1 ZINC000932900755 761267489 /nfs/dbraw/zinc/26/74/89/761267489.db2.gz CQODCPNQAJFACZ-CHWSQXEVSA-N 0 3 362.783 3.086 20 30 FGEDHN C[C@@H]1CSCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934302388 761591525 /nfs/dbraw/zinc/59/15/25/761591525.db2.gz YQLSQVHNZAWYOK-UKRRQHHQSA-N 0 3 352.463 3.051 20 30 FGEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](NCc3ccc(C#N)s3)C2)s1 ZINC000970215679 762870799 /nfs/dbraw/zinc/87/07/99/762870799.db2.gz UJVRRSYLOMZNGX-KBRIMQKVSA-N 0 3 371.531 3.484 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CCN(Cc2ccsc2)CC1 ZINC000997793889 765083719 /nfs/dbraw/zinc/08/37/19/765083719.db2.gz NXZSEIVLJLVDNI-SNRMKQJTSA-N 0 3 362.539 3.446 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCCN2CC(=C)Cl)CC1 ZINC001004437094 765431326 /nfs/dbraw/zinc/43/13/26/765431326.db2.gz JEVOGXWUTDMFCV-QRVBRYPASA-N 0 3 366.933 3.423 20 30 FGEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001004467697 765432603 /nfs/dbraw/zinc/43/26/03/765432603.db2.gz ZSGRLAJTGZETPP-NJAFHUGGSA-N 0 3 354.922 3.257 20 30 FGEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001027415298 766092027 /nfs/dbraw/zinc/09/20/27/766092027.db2.gz IPEUPRBTFRKONI-JWRYVHENSA-N 0 3 356.432 3.157 20 30 FGEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001033557176 766222330 /nfs/dbraw/zinc/22/23/30/766222330.db2.gz JVIXRIXPGJYETO-SOUVJXGZSA-N 0 3 352.400 3.316 20 30 FGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1 ZINC001040442694 766306265 /nfs/dbraw/zinc/30/62/65/766306265.db2.gz FAMIKHNQIRXXBM-DBXWQHBBSA-N 0 3 356.535 3.498 20 30 FGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)CC1 ZINC001050550188 766846936 /nfs/dbraw/zinc/84/69/36/766846936.db2.gz HSMMUYWFYJWLHG-HZPDHXFCSA-N 0 3 356.432 3.303 20 30 FGEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)CC1 ZINC001050694844 766854830 /nfs/dbraw/zinc/85/48/30/766854830.db2.gz MEBSYQXTQUHCKR-RBUKOAKNSA-N 0 3 356.897 3.391 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000576747977 505584589 /nfs/dbraw/zinc/58/45/89/505584589.db2.gz GSJFOOPQHIXKMJ-NRFANRHFSA-N 0 3 362.477 3.389 20 30 FGEDHN Cc1cccc(C(C)(C)CNCCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000568077386 505610097 /nfs/dbraw/zinc/61/00/97/505610097.db2.gz PTOURVIINZQUDZ-UHFFFAOYSA-N 0 3 356.491 3.208 20 30 FGEDHN COC(=O)c1cccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1C#N ZINC000573793288 505622788 /nfs/dbraw/zinc/62/27/88/505622788.db2.gz WCUMUCHCGHMLKV-MOPGFXCFSA-N 0 3 354.450 3.126 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCC#Cc2cccc(F)c2)N(C)C)cc1 ZINC000571063697 505645123 /nfs/dbraw/zinc/64/51/23/505645123.db2.gz KQJHIAMHLVKUHI-NRFANRHFSA-N 0 3 367.468 3.342 20 30 FGEDHN CCn1nc(CN(CCN(C)C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000571090617 505650947 /nfs/dbraw/zinc/65/09/47/505650947.db2.gz GZULTXHDEFEWHZ-UHFFFAOYSA-N 0 3 361.493 3.492 20 30 FGEDHN CO/N=C/c1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000027927559 493766806 /nfs/dbraw/zinc/76/68/06/493766806.db2.gz SNTZKWQYIPNAND-HAVVHWLPSA-N 0 3 365.477 3.104 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CC(=O)OC(C)(C)C)CC1 ZINC000081089948 493829217 /nfs/dbraw/zinc/82/92/17/493829217.db2.gz IQYFHFLWSXCRIR-UHFFFAOYSA-N 0 3 373.497 3.343 20 30 FGEDHN C[C@@H]1CCCCN1Cc1ccccc1CNS(=O)(=O)CCCCC#N ZINC000068880785 493887455 /nfs/dbraw/zinc/88/74/55/493887455.db2.gz YXFJXTSIVMCCHY-QGZVFWFLSA-N 0 3 363.527 3.174 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000050108161 493898672 /nfs/dbraw/zinc/89/86/72/493898672.db2.gz JRLZORLLXHOJEI-UHFFFAOYSA-N 0 3 364.449 3.137 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN(CC)Cc1ccc2c(c1)OCO2 ZINC000060845902 493956177 /nfs/dbraw/zinc/95/61/77/493956177.db2.gz BAPOORPKICPSKN-IBGZPJMESA-N 0 3 369.461 3.406 20 30 FGEDHN C=CCCCN(C)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000076735362 493962039 /nfs/dbraw/zinc/96/20/39/493962039.db2.gz LEQJXRGGBRXNAS-UHFFFAOYSA-N 0 3 354.498 3.062 20 30 FGEDHN Cc1cc(C)n(Cc2ccc(C(=O)C(C#N)c3cc(C)nc(C)n3)cc2)n1 ZINC000061068256 493964801 /nfs/dbraw/zinc/96/48/01/493964801.db2.gz NWKFMPNGNKKBFV-LJQANCHMSA-N 0 3 359.433 3.445 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCOc2ccccc21 ZINC000076874599 493982289 /nfs/dbraw/zinc/98/22/89/493982289.db2.gz XFIHSLXMSOECDX-FQEVSTJZSA-N 0 3 363.461 3.015 20 30 FGEDHN COc1ccccc1OCCN1CCCN(c2ccccc2C#N)CC1 ZINC000051852361 493990822 /nfs/dbraw/zinc/99/08/22/493990822.db2.gz BARDXUPRAIMVGA-UHFFFAOYSA-N 0 3 351.450 3.158 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCN(C2CCC(C)CC2)CC1 ZINC000077316399 494056112 /nfs/dbraw/zinc/05/61/12/494056112.db2.gz XIXVIZPRXZMGHJ-UHFFFAOYSA-N 0 3 357.498 3.142 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCCC[C@@H]2CCO)sc2c1CCCC2 ZINC000070823651 494059979 /nfs/dbraw/zinc/05/99/79/494059979.db2.gz UIFPEXSQOCQTTB-CQSZACIVSA-N 0 3 361.511 3.064 20 30 FGEDHN COc1cccc2c1OC[C@H](NCc1cccc(OCCCC#N)c1)C2 ZINC000077412365 494078068 /nfs/dbraw/zinc/07/80/68/494078068.db2.gz NOWRYIMZTPQLCC-GOSISDBHSA-N 0 3 352.434 3.471 20 30 FGEDHN COc1cc(CN2C[C@H](O)C(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000574123792 505698692 /nfs/dbraw/zinc/69/86/92/505698692.db2.gz UJOMQGXTRIZJQY-NRFANRHFSA-N 0 3 366.461 3.349 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053398838 494125507 /nfs/dbraw/zinc/12/55/07/494125507.db2.gz XXUCBNARJZSVPT-SIKLNZKXSA-N 0 3 366.461 3.338 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000064644187 494140878 /nfs/dbraw/zinc/14/08/78/494140878.db2.gz NQMXZLRFLBSOBH-SFHVURJKSA-N 0 3 368.506 3.331 20 30 FGEDHN Cc1nn(C)c2nc(C)c(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cc12 ZINC000041552528 494167152 /nfs/dbraw/zinc/16/71/52/494167152.db2.gz DBVTYQDGBUWICC-AWEZNQCLSA-N 0 3 373.338 3.489 20 30 FGEDHN COc1ccc(CCC2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000053847422 494172200 /nfs/dbraw/zinc/17/22/00/494172200.db2.gz UHYOPBVIYBGPEO-KRWDZBQOSA-N 0 3 357.498 3.100 20 30 FGEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC000072563880 494205229 /nfs/dbraw/zinc/20/52/29/494205229.db2.gz IRXHTOOTGLGNIZ-UONOGXRCSA-N 0 3 352.360 3.277 20 30 FGEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666807 494229838 /nfs/dbraw/zinc/22/98/38/494229838.db2.gz WXYSVIDJBSAYSO-UHFFFAOYSA-N 0 3 372.488 3.069 20 30 FGEDHN COc1cc(CNCc2ccc(N(C)CCC#N)cc2)cc(OC)c1OC ZINC000072727604 494241926 /nfs/dbraw/zinc/24/19/26/494241926.db2.gz NWBNMWIRKYAONS-UHFFFAOYSA-N 0 3 369.465 3.352 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2)C(C)C ZINC000078262406 494265235 /nfs/dbraw/zinc/26/52/35/494265235.db2.gz YEONASFETIUXHD-IBGZPJMESA-N 0 3 370.497 3.391 20 30 FGEDHN COc1ccc(CN(C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000078434634 494296469 /nfs/dbraw/zinc/29/64/69/494296469.db2.gz NBOOUGXLMIPBOT-FQEVSTJZSA-N 0 3 366.461 3.166 20 30 FGEDHN CC(C)N(C(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000055172411 494310087 /nfs/dbraw/zinc/31/00/87/494310087.db2.gz LTKCHDSESFSEBL-IBGZPJMESA-N 0 3 370.541 3.100 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000577360333 505712776 /nfs/dbraw/zinc/71/27/76/505712776.db2.gz UKTJLVXLOMIFLN-FYYLOGMGSA-N 0 3 366.505 3.224 20 30 FGEDHN N#Cc1cnc2ccc(Cl)cc2c1NC1CCN([C@H]2CCOC2)CC1 ZINC000089603098 494330310 /nfs/dbraw/zinc/33/03/10/494330310.db2.gz DNKKTHVTZAYKST-INIZCTEOSA-N 0 3 356.857 3.425 20 30 FGEDHN CN1CCC(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000073309912 494355885 /nfs/dbraw/zinc/35/58/85/494355885.db2.gz MOACHNJFWAPCJI-OAQYLSRUSA-N 0 3 363.461 3.288 20 30 FGEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000073432313 494370469 /nfs/dbraw/zinc/37/04/69/494370469.db2.gz FFEIKMSHXSFUTM-YOEHRIQHSA-N 0 3 360.404 3.464 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 ZINC000066812644 494414542 /nfs/dbraw/zinc/41/45/42/494414542.db2.gz HWVOTDKMFCPJBA-UHFFFAOYSA-N 0 3 374.847 3.008 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000079304137 494433187 /nfs/dbraw/zinc/43/31/87/494433187.db2.gz UKKLUVMNIQCAHL-JKSUJKDBSA-N 0 3 370.497 3.210 20 30 FGEDHN Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000045700811 494452674 /nfs/dbraw/zinc/45/26/74/494452674.db2.gz NWLNKINHNHPRBY-UHFFFAOYSA-N 0 3 350.466 3.140 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)CC1 ZINC000074132468 494485919 /nfs/dbraw/zinc/48/59/19/494485919.db2.gz DUAXXUHJWQSJHB-FXAWDEMLSA-N 0 3 357.498 3.117 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC000074132541 494486041 /nfs/dbraw/zinc/48/60/41/494486041.db2.gz RFAZLJUZRUOOCY-AWEZNQCLSA-N 0 3 361.490 3.128 20 30 FGEDHN C[C@H]1CN(CC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)C[C@H](C)O1 ZINC000091478472 494606499 /nfs/dbraw/zinc/60/64/99/494606499.db2.gz DBHYGOYBUWTXGT-IRXDYDNUSA-N 0 3 368.525 3.158 20 30 FGEDHN N#CC(C(=O)c1csc(I)c1)c1ccccn1 ZINC000107876214 494616492 /nfs/dbraw/zinc/61/64/92/494616492.db2.gz GMZXUWNVMOAMFD-SECBINFHSA-N 0 3 354.172 3.238 20 30 FGEDHN COc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1OCCCC#N ZINC000080343871 494680762 /nfs/dbraw/zinc/68/07/62/494680762.db2.gz GKNQTWSNUYKEGQ-AREMUKBSSA-N 0 3 372.490 3.405 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000091815179 494688362 /nfs/dbraw/zinc/68/83/62/494688362.db2.gz HEHLIEFHQSITMN-INIZCTEOSA-N 0 3 356.363 3.281 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000067966458 494712817 /nfs/dbraw/zinc/71/28/17/494712817.db2.gz FPKIMRALMCZVTB-MAUKXSAKSA-N 0 3 368.433 3.110 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000108466469 494714339 /nfs/dbraw/zinc/71/43/39/494714339.db2.gz ZSBDEXNBHHTUOW-TZIWHRDSSA-N 0 3 365.477 3.381 20 30 FGEDHN CCCC(=O)NC[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092707631 494722331 /nfs/dbraw/zinc/72/23/31/494722331.db2.gz YFPOUAMVGLEWQD-LJQANCHMSA-N 0 3 357.498 3.497 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000091949286 494729329 /nfs/dbraw/zinc/72/93/29/494729329.db2.gz FWUOTPYSQSGKAZ-MSOLQXFVSA-N 0 3 369.509 3.448 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000092056078 494772262 /nfs/dbraw/zinc/77/22/62/494772262.db2.gz AYOPRXRQOKJRJB-QGZVFWFLSA-N 0 3 355.482 3.202 20 30 FGEDHN Cc1nn(C)c(Cl)c1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092853940 494774759 /nfs/dbraw/zinc/77/47/59/494774759.db2.gz IBBLSDBNBHMVJL-UHFFFAOYSA-N 0 3 359.861 3.128 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000577501930 505741463 /nfs/dbraw/zinc/74/14/63/505741463.db2.gz DHLFFZXUEWGSIV-CJAUYULYSA-N 0 3 361.511 3.228 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(N3CCO[C@@H](C)C3)CC2)ccc1OC ZINC000092091227 494783528 /nfs/dbraw/zinc/78/35/28/494783528.db2.gz CGKFJBTVZAFUAK-SFHVURJKSA-N 0 3 374.525 3.335 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000047948330 494799087 /nfs/dbraw/zinc/79/90/87/494799087.db2.gz LYYAOHXRBTWRFW-HXUWFJFHSA-N 0 3 350.466 3.441 20 30 FGEDHN N#Cc1ccccc1OCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000075630966 494804696 /nfs/dbraw/zinc/80/46/96/494804696.db2.gz YJDSWUGMHLAYEO-HXUWFJFHSA-N 0 3 363.461 3.280 20 30 FGEDHN N#Cc1cccc(OCCCN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000574313990 505744496 /nfs/dbraw/zinc/74/44/96/505744496.db2.gz UYDITLQBRDGZDR-JOCHJYFZSA-N 0 3 368.452 3.393 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)CC1 ZINC000126878106 494854646 /nfs/dbraw/zinc/85/46/46/494854646.db2.gz XLMIMXLKESDBQE-UHFFFAOYSA-N 0 3 374.435 3.229 20 30 FGEDHN C=CCOc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1Cl ZINC000093817353 494925183 /nfs/dbraw/zinc/92/51/83/494925183.db2.gz AYEJASXANLNKLY-QGZVFWFLSA-N 0 3 350.890 3.059 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@@H](N(C)CC(C)(C)CCC#N)C2=O)c1 ZINC000093840899 494926487 /nfs/dbraw/zinc/92/64/87/494926487.db2.gz MACZRDAQWNRCGZ-GOSISDBHSA-N 0 3 359.470 3.071 20 30 FGEDHN CS[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000117509128 494927518 /nfs/dbraw/zinc/92/75/18/494927518.db2.gz HCGIAXUGORRDSV-RTBURBONSA-N 0 3 374.554 3.306 20 30 FGEDHN C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000110350520 494971195 /nfs/dbraw/zinc/97/11/95/494971195.db2.gz WVYGMTOGXTYECS-KRWDZBQOSA-N 0 3 367.518 3.428 20 30 FGEDHN CC(C)c1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000133426597 495012738 /nfs/dbraw/zinc/01/27/38/495012738.db2.gz ANOZLDCSBLEPQG-UHFFFAOYSA-N 0 3 356.495 3.342 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H]2CCCC[C@@H]2n2cccn2)c(C#N)c1C ZINC000127995712 495028460 /nfs/dbraw/zinc/02/84/60/495028460.db2.gz SRROEWPLJVSNJB-HOTGVXAUSA-N 0 3 357.483 3.145 20 30 FGEDHN CC(=O)Nc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122816310 495035412 /nfs/dbraw/zinc/03/54/12/495035412.db2.gz KJKYSHRODWLARU-UHFFFAOYSA-N 0 3 362.477 3.225 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123077784 495076922 /nfs/dbraw/zinc/07/69/22/495076922.db2.gz KZLAVDIUNJVMMD-QRWLVFNGSA-N 0 3 356.441 3.398 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc(-c2ncccn2)n1)C(C)C ZINC000101684370 495091293 /nfs/dbraw/zinc/09/12/93/495091293.db2.gz ASSKKHKTIYCKTI-INIZCTEOSA-N 0 3 371.510 3.029 20 30 FGEDHN CCOc1ccccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000123197876 495095510 /nfs/dbraw/zinc/09/55/10/495095510.db2.gz KFWSGZLUNZPLHN-UHFFFAOYSA-N 0 3 351.450 3.161 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000101907507 495105790 /nfs/dbraw/zinc/10/57/90/495105790.db2.gz QLZQUTLUUGPRBM-SVFBPWRDSA-N 0 3 370.541 3.152 20 30 FGEDHN C=CCOc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000128902671 495166119 /nfs/dbraw/zinc/16/61/19/495166119.db2.gz JRLJDUZMLLGGNJ-INIZCTEOSA-N 0 3 354.410 3.241 20 30 FGEDHN COc1cc(NC(=O)N2CCC(CCC#N)CC2)ccc1OCCN(C)C ZINC000568746514 505768961 /nfs/dbraw/zinc/76/89/61/505768961.db2.gz PHYBGENGHVENEK-UHFFFAOYSA-N 0 3 374.485 3.183 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC1CC1 ZINC000112983134 495262764 /nfs/dbraw/zinc/26/27/64/495262764.db2.gz DQLDFGUOKVAFEX-UHFFFAOYSA-N 0 3 354.454 3.288 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000124295820 495265054 /nfs/dbraw/zinc/26/50/54/495265054.db2.gz JERMGIGDOLOSHK-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCn3cnnc3C3CC3)c2)c1 ZINC000124319024 495269357 /nfs/dbraw/zinc/26/93/57/495269357.db2.gz XNOUOWUSVWSLTL-UHFFFAOYSA-N 0 3 373.460 3.396 20 30 FGEDHN N#CCCn1cc(CNC[C@@H](O)c2cccc(F)c2)c(-c2ccccc2)n1 ZINC000113329132 495296529 /nfs/dbraw/zinc/29/65/29/495296529.db2.gz VXBXYSQZFUGIQO-HXUWFJFHSA-N 0 3 364.424 3.426 20 30 FGEDHN Cc1cccc(OC[C@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104963114 495318921 /nfs/dbraw/zinc/31/89/21/495318921.db2.gz VQMPKGVVNOTPCE-LJQANCHMSA-N 0 3 366.461 3.150 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)CC1 ZINC000136212293 495364788 /nfs/dbraw/zinc/36/47/88/495364788.db2.gz HXQSVNQNUIFDDX-JXFKEZNVSA-N 0 3 357.498 3.061 20 30 FGEDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(OCC#N)cc1 ZINC000105487566 495365651 /nfs/dbraw/zinc/36/56/51/495365651.db2.gz JIHJMBDAGHZHGU-QGZVFWFLSA-N 0 3 351.450 3.276 20 30 FGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000136498245 495383938 /nfs/dbraw/zinc/38/39/38/495383938.db2.gz LBJMWHVRFOMEHR-AWEZNQCLSA-N 0 3 370.396 3.459 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000120472174 495387394 /nfs/dbraw/zinc/38/73/94/495387394.db2.gz WPAZXDWUQCNXLN-UHFFFAOYSA-N 0 3 360.461 3.146 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)CC1 ZINC000106036568 495406007 /nfs/dbraw/zinc/40/60/07/495406007.db2.gz WBQZZDRKGJIIBN-DNVCBOLYSA-N 0 3 355.482 3.051 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3nccs3)c2C)CC1 ZINC000106036757 495406197 /nfs/dbraw/zinc/40/61/97/495406197.db2.gz NNMGIYPIWCBNIT-UHFFFAOYSA-N 0 3 358.511 3.321 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCc2nnc(-c3ccccc3)o2)CC1 ZINC000106036400 495406401 /nfs/dbraw/zinc/40/64/01/495406401.db2.gz UAFOATAHIVGOEC-UHFFFAOYSA-N 0 3 368.481 3.216 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000106038461 495407127 /nfs/dbraw/zinc/40/71/27/495407127.db2.gz GTOOIPXAHFPOFY-ONEGZZNKSA-N 0 3 364.902 3.219 20 30 FGEDHN Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)c(OCCN(C)C)c1 ZINC000125288653 495420237 /nfs/dbraw/zinc/42/02/37/495420237.db2.gz FONFKJFXLYDOEJ-UHFFFAOYSA-N 0 3 370.453 3.476 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000106266769 495441202 /nfs/dbraw/zinc/44/12/02/495441202.db2.gz CSNSJZOZQPLXJI-FPOVZHCZSA-N 0 3 371.525 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCOC)cc2C)CC1 ZINC000106321909 495443927 /nfs/dbraw/zinc/44/39/27/495443927.db2.gz PARUFZZHYVKCMA-UHFFFAOYSA-N 0 3 361.486 3.182 20 30 FGEDHN C=CCn1c(SCCCN2CCN(C)CC2)nnc1-c1ccccc1C ZINC000131060855 495486709 /nfs/dbraw/zinc/48/67/09/495486709.db2.gz JQXJNFHJVITEFJ-UHFFFAOYSA-N 0 3 371.554 3.169 20 30 FGEDHN CN1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106911499 495510897 /nfs/dbraw/zinc/51/08/97/495510897.db2.gz BBDCMZRTKTWHDZ-OAHLLOKOSA-N 0 3 353.397 3.314 20 30 FGEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000185353537 495543909 /nfs/dbraw/zinc/54/39/09/495543909.db2.gz PVVAOYUQXYILLW-UXHICEINSA-N 0 3 370.541 3.045 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](c3ccncc3)C2)cc1Cl ZINC000580580290 505790941 /nfs/dbraw/zinc/79/09/41/505790941.db2.gz GMWKVCIKIIKWPE-MRXNPFEDSA-N 0 3 354.841 3.425 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCCO[C@H](C)C3)sc2C1 ZINC000170768620 495596150 /nfs/dbraw/zinc/59/61/50/495596150.db2.gz BQCUNZJJKUMLNV-ZIAGYGMSSA-N 0 3 361.511 3.184 20 30 FGEDHN CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179453242 495597266 /nfs/dbraw/zinc/59/72/66/495597266.db2.gz AZYKRYAOBBRHRF-INIZCTEOSA-N 0 3 371.506 3.392 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(F)cc1F ZINC000158847685 495601154 /nfs/dbraw/zinc/60/11/54/495601154.db2.gz ICILUUFLFVCBAM-UHFFFAOYSA-N 0 3 371.431 3.359 20 30 FGEDHN COC(=O)[C@@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000154393796 495603911 /nfs/dbraw/zinc/60/39/11/495603911.db2.gz RTFLZLPMYDRXRB-DGCLKSJQSA-N 0 3 360.460 3.281 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000176337952 495607200 /nfs/dbraw/zinc/60/72/00/495607200.db2.gz BUQXZXDRCQPFQB-ROUUACIJSA-N 0 3 351.535 3.262 20 30 FGEDHN CCN(CC)C(=O)CCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000182576597 495621970 /nfs/dbraw/zinc/62/19/70/495621970.db2.gz BKSXKGSPXQTBSU-UHFFFAOYSA-N 0 3 357.498 3.298 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCN1C ZINC000173652142 495634209 /nfs/dbraw/zinc/63/42/09/495634209.db2.gz AWKHQTFBTCFNCT-PBHICJAKSA-N 0 3 367.415 3.181 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)N(C)C)cc1 ZINC000176398837 495636875 /nfs/dbraw/zinc/63/68/75/495636875.db2.gz RJFQNUXPBQGNST-IBGZPJMESA-N 0 3 354.429 3.108 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)N(C)C)cc1 ZINC000170934867 495658519 /nfs/dbraw/zinc/65/85/19/495658519.db2.gz XBXGXIIWBHGSKS-FQEVSTJZSA-N 0 3 368.456 3.362 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000159116843 495662816 /nfs/dbraw/zinc/66/28/16/495662816.db2.gz NZEIYADAGXJINL-TZIWHRDSSA-N 0 3 372.557 3.267 20 30 FGEDHN CC(C)CN1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000170983590 495677663 /nfs/dbraw/zinc/67/76/63/495677663.db2.gz ATBYOKWBFMUDHI-KRWDZBQOSA-N 0 3 374.554 3.293 20 30 FGEDHN CC(C)Oc1cccc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000179678230 495687401 /nfs/dbraw/zinc/68/74/01/495687401.db2.gz LHDYEXYMPJTPJH-QFBILLFUSA-N 0 3 354.450 3.436 20 30 FGEDHN CCSCc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)no1 ZINC000185848563 495748573 /nfs/dbraw/zinc/74/85/73/495748573.db2.gz QKGLXWHJVAVYJX-UHFFFAOYSA-N 0 3 372.494 3.003 20 30 FGEDHN COC(=O)[C@H](NC1CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000176707782 495756129 /nfs/dbraw/zinc/75/61/29/495756129.db2.gz JBLCFUJJWRMRRU-OAQYLSRUSA-N 0 3 363.461 3.027 20 30 FGEDHN Cn1cc(CNCc2ccc(N3CCCC3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000180048286 495836809 /nfs/dbraw/zinc/83/68/09/495836809.db2.gz NFRYRTMRCOVYQG-UHFFFAOYSA-N 0 3 372.476 3.244 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180062072 495841778 /nfs/dbraw/zinc/84/17/78/495841778.db2.gz LXGCIQCDSUKXQL-XHDPSFHLSA-N 0 3 369.387 3.146 20 30 FGEDHN CN1CCN(CCCNCc2ccc(C#N)s2)[C@H](c2ccccc2)C1 ZINC000176946582 495851984 /nfs/dbraw/zinc/85/19/84/495851984.db2.gz OPCVGGDIELZENL-FQEVSTJZSA-N 0 3 354.523 3.088 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000155177980 495863409 /nfs/dbraw/zinc/86/34/09/495863409.db2.gz VGVXYQGOQGDGJG-LIRRHRJNSA-N 0 3 369.415 3.477 20 30 FGEDHN O=C(NCCN[C@H](c1ccccc1F)C1CCCC1)C1N=CC=CC1=O ZINC000180177112 495893673 /nfs/dbraw/zinc/89/36/73/495893673.db2.gz YSJVTKRKYPDRGR-ONNQFXDFSA-N 0 3 357.429 3.173 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1(Cc2ccccc2)CC1 ZINC000177066341 495909739 /nfs/dbraw/zinc/90/97/39/495909739.db2.gz LDWILVOXMCDDQU-UHFFFAOYSA-N 0 3 361.489 3.471 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3ccccc3)nc2)CC1 ZINC000171716788 496004481 /nfs/dbraw/zinc/00/44/81/496004481.db2.gz JDSOOUIHQSIYNN-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccnc2SCc2cc(C)on2)CC1 ZINC000171722727 496006821 /nfs/dbraw/zinc/00/68/21/496006821.db2.gz MTGPXBUIMPTQFT-UHFFFAOYSA-N 0 3 372.494 3.051 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000171723568 496008214 /nfs/dbraw/zinc/00/82/14/496008214.db2.gz KULAYXPPXYFCPS-UHFFFAOYSA-N 0 3 374.872 3.089 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000171741507 496016444 /nfs/dbraw/zinc/01/64/44/496016444.db2.gz DNCKATDBIMUOAZ-AWEZNQCLSA-N 0 3 359.470 3.181 20 30 FGEDHN COc1ccc(CNc2ccccc2CN2CCC(O)CC2)cc1C#N ZINC000177327716 496019302 /nfs/dbraw/zinc/01/93/02/496019302.db2.gz ZDQJRZUFHFNLLU-UHFFFAOYSA-N 0 3 351.450 3.136 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(CC#Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000155889007 496098793 /nfs/dbraw/zinc/09/87/93/496098793.db2.gz SXIMNRULDRTPDZ-RTBURBONSA-N 0 3 358.501 3.389 20 30 FGEDHN N#Cc1ccc(OCCN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000183886307 496148321 /nfs/dbraw/zinc/14/83/21/496148321.db2.gz DMHGXQWPUPDYMR-QGZVFWFLSA-N 0 3 361.239 3.023 20 30 FGEDHN C=CCOc1ccccc1CN[C@@H](C)Cn1cc(Br)cn1 ZINC000161515481 496189765 /nfs/dbraw/zinc/18/97/65/496189765.db2.gz SMSWITLFEKKCDJ-ZDUSSCGKSA-N 0 3 350.260 3.389 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(CCC#N)CC2)c(OC)c1 ZINC000568996728 505826890 /nfs/dbraw/zinc/82/68/90/505826890.db2.gz ANFRWTPSLYDDTO-LJQANCHMSA-N 0 3 358.482 3.179 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)CNc1cccc(C#N)c1)c1ccsc1 ZINC000152825491 496267537 /nfs/dbraw/zinc/26/75/37/496267537.db2.gz GJMQDHQJTGATSV-GOSISDBHSA-N 0 3 356.495 3.231 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000577983947 505833816 /nfs/dbraw/zinc/83/38/16/505833816.db2.gz XNPWTDQTIHNUHH-UHFFFAOYSA-N 0 3 373.460 3.152 20 30 FGEDHN N#Cc1ccc(CN(C(=O)CC2(N3CCOCC3)CCCC2)C2CC2)cc1 ZINC000172411026 496286933 /nfs/dbraw/zinc/28/69/33/496286933.db2.gz XOKBWFWGIDJSGB-UHFFFAOYSA-N 0 3 367.493 3.084 20 30 FGEDHN Cc1ccc2ncc(CN[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)n2c1 ZINC000156662203 496305594 /nfs/dbraw/zinc/30/55/94/496305594.db2.gz AESVAZMBRRCPEL-QGZVFWFLSA-N 0 3 363.440 3.412 20 30 FGEDHN Cc1nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000172487457 496314744 /nfs/dbraw/zinc/31/47/44/496314744.db2.gz GPWNFXLMFQZMAZ-OXQOHEQNSA-N 0 3 362.477 3.387 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181225119 496319629 /nfs/dbraw/zinc/31/96/29/496319629.db2.gz ZXTKDSQNBJLOMF-KAGYGMCKSA-N 0 3 366.461 3.055 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000580780620 505837175 /nfs/dbraw/zinc/83/71/75/505837175.db2.gz FOPJFMAUWJETNT-JTSKRJEESA-N 0 3 363.461 3.106 20 30 FGEDHN Cc1cccc(NC2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000153033108 496331832 /nfs/dbraw/zinc/33/18/32/496331832.db2.gz LKWNTNIOLQJSRE-NRFANRHFSA-N 0 3 365.477 3.183 20 30 FGEDHN CCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000181270239 496334468 /nfs/dbraw/zinc/33/44/68/496334468.db2.gz VQCRTDRLNFGFAU-HXUWFJFHSA-N 0 3 350.466 3.403 20 30 FGEDHN C[C@@H](NCCOc1ccccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000181334004 496356911 /nfs/dbraw/zinc/35/69/11/496356911.db2.gz JSROCTQAJCLOOA-OAHLLOKOSA-N 0 3 351.406 3.244 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccco2)c2ccccc2OC)CC1 ZINC000178384120 496435646 /nfs/dbraw/zinc/43/56/46/496435646.db2.gz LGLBWMPFOGRQAB-HXUWFJFHSA-N 0 3 369.465 3.327 20 30 FGEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)oc1CC ZINC000178449334 496461548 /nfs/dbraw/zinc/46/15/48/496461548.db2.gz GEDAXHQFVYLSKY-UHFFFAOYSA-N 0 3 353.466 3.480 20 30 FGEDHN CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCN(C)C1 ZINC000153496776 496475903 /nfs/dbraw/zinc/47/59/03/496475903.db2.gz WARXBVIUKQFWEY-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000175649521 496483174 /nfs/dbraw/zinc/48/31/74/496483174.db2.gz RKKMIDDWLJPVHX-LJQANCHMSA-N 0 3 366.440 3.161 20 30 FGEDHN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C#N)cc1 ZINC000184687063 496493873 /nfs/dbraw/zinc/49/38/73/496493873.db2.gz XCVZTLLSPWZJLG-AWEZNQCLSA-N 0 3 373.453 3.088 20 30 FGEDHN CC(C)(CC1CCCCCC1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000578045196 505849105 /nfs/dbraw/zinc/84/91/05/505849105.db2.gz DQGCPUXTAOTHJN-UHFFFAOYSA-N 0 3 363.527 3.456 20 30 FGEDHN COc1ccccc1[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000157879035 496575868 /nfs/dbraw/zinc/57/58/68/496575868.db2.gz KBIOSIJZADZFND-HNNXBMFYSA-N 0 3 355.463 3.446 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000173199303 496589857 /nfs/dbraw/zinc/58/98/57/496589857.db2.gz UZKJNURAJDPEKE-UHFFFAOYSA-N 0 3 360.889 3.313 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H]3CCN(c4cccc(Cl)c4)C3)n2c1 ZINC000181989610 496626047 /nfs/dbraw/zinc/62/60/47/496626047.db2.gz PJWAJRKFDJCOGL-INIZCTEOSA-N 0 3 351.841 3.228 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1cccs1 ZINC000173359156 496658009 /nfs/dbraw/zinc/65/80/09/496658009.db2.gz KCPKHYCDOWDZKP-WMLDXEAASA-N 0 3 372.498 3.063 20 30 FGEDHN N#Cc1cc(NCCCN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000165643215 496664138 /nfs/dbraw/zinc/66/41/38/496664138.db2.gz AKPUZUBXHQBTPD-UHFFFAOYSA-N 0 3 365.437 3.091 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000188056413 496664893 /nfs/dbraw/zinc/66/48/93/496664893.db2.gz JMSFUNZQUIFUGA-SJLPKXTDSA-N 0 3 371.525 3.418 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000154051734 496668663 /nfs/dbraw/zinc/66/86/63/496668663.db2.gz QZDGDEWXCKLHCR-UHFFFAOYSA-N 0 3 350.466 3.081 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2cc(C#N)ccn2)N(CC)CC)cc1 ZINC000569135661 505860131 /nfs/dbraw/zinc/86/01/31/505860131.db2.gz FBSWTABMRAXWKS-FQEVSTJZSA-N 0 3 350.466 3.329 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000158432945 496700650 /nfs/dbraw/zinc/70/06/50/496700650.db2.gz PNPVBMUXDJMRKP-MRXNPFEDSA-N 0 3 350.466 3.216 20 30 FGEDHN CN1CCC[C@]2(CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)C2)C1 ZINC000580884241 505861032 /nfs/dbraw/zinc/86/10/32/505861032.db2.gz NEZSLDGPTQWIIM-CTNGQTDRSA-N 0 3 352.482 3.063 20 30 FGEDHN C=CCc1cc(CNC[C@@](C)(C(=O)OC)c2ccccc2)cc(OC)c1O ZINC000191590576 496823932 /nfs/dbraw/zinc/82/39/32/496823932.db2.gz CDQFVTCNRNXPQI-JOCHJYFZSA-N 0 3 369.461 3.350 20 30 FGEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000195177620 496842654 /nfs/dbraw/zinc/84/26/54/496842654.db2.gz IFTPCRVLDKZXRP-CRAIPNDOSA-N 0 3 351.454 3.193 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247505542 496874924 /nfs/dbraw/zinc/87/49/24/496874924.db2.gz VGWZCCRGSLFBHC-XLIONFOSSA-N 0 3 353.491 3.362 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000264379724 496885807 /nfs/dbraw/zinc/88/58/07/496885807.db2.gz KWEDGQZZPIHCJR-UHFFFAOYSA-N 0 3 370.541 3.467 20 30 FGEDHN C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCC[C@@H](C)C1 ZINC000188751298 496895950 /nfs/dbraw/zinc/89/59/50/496895950.db2.gz GZMWECVOBMLFAQ-CVEARBPZSA-N 0 3 359.474 3.006 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000264421109 496897470 /nfs/dbraw/zinc/89/74/70/496897470.db2.gz WQQHSPJMUZVYIO-UHFFFAOYSA-N 0 3 367.497 3.054 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[O-] ZINC000264604490 496941521 /nfs/dbraw/zinc/94/15/21/496941521.db2.gz CQPHEJNZNUBWCJ-CUGFLAGRSA-N 0 3 365.477 3.202 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[O-] ZINC000264604490 496941527 /nfs/dbraw/zinc/94/15/27/496941527.db2.gz CQPHEJNZNUBWCJ-CUGFLAGRSA-N 0 3 365.477 3.202 20 30 FGEDHN C=CCC1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000188938443 496954194 /nfs/dbraw/zinc/95/41/94/496954194.db2.gz DGSWORPRSYIJRC-UHFFFAOYSA-N 0 3 369.553 3.447 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000264651831 496954323 /nfs/dbraw/zinc/95/43/23/496954323.db2.gz YJKIDILKSXDNEL-HOTGVXAUSA-N 0 3 360.527 3.045 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192064902 496983233 /nfs/dbraw/zinc/98/32/33/496983233.db2.gz KMFZSKGAEHPBGT-YZGWKJHDSA-N 0 3 372.852 3.071 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000269718314 496993597 /nfs/dbraw/zinc/99/35/97/496993597.db2.gz PKMNGRMEFNRFQI-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189137358 497019509 /nfs/dbraw/zinc/01/95/09/497019509.db2.gz XZDHNSAIGHRQPO-UWJYYQICSA-N 0 3 359.473 3.227 20 30 FGEDHN COC(=O)c1ccc(C(=O)C(C(=S)[N-]C(C)C)[n+]2cccc(C)c2)cc1 ZINC000278147420 497019980 /nfs/dbraw/zinc/01/99/80/497019980.db2.gz BNHXERGSMUAGGS-UHFFFAOYSA-O 0 3 371.482 3.006 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000574912032 505882160 /nfs/dbraw/zinc/88/21/60/505882160.db2.gz MSMRVQSYWOSFNW-QFBILLFUSA-N 0 3 372.852 3.455 20 30 FGEDHN O=C(c1nccs1)C(C(=S)[N-]C(C1CC1)C1CC1)[n+]1ccccc1 ZINC000278300368 497066928 /nfs/dbraw/zinc/06/69/28/497066928.db2.gz RLBITUPVRWLEBN-UHFFFAOYSA-O 0 3 358.512 3.148 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248752674 497098560 /nfs/dbraw/zinc/09/85/60/497098560.db2.gz HURKGZSUGMAUOH-UNMCSNQZSA-N 0 3 350.462 3.445 20 30 FGEDHN C=CCOc1ccccc1CNCCCCN1C(=O)c2ccccc2C1=O ZINC000236674480 497131395 /nfs/dbraw/zinc/13/13/95/497131395.db2.gz MMESCWRQVIQERM-UHFFFAOYSA-N 0 3 364.445 3.417 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000249096319 497165036 /nfs/dbraw/zinc/16/50/36/497165036.db2.gz XZDHNSAIGHRQPO-DYESRHJHSA-N 0 3 359.473 3.227 20 30 FGEDHN CCOc1cc(CNCCCC#N)ccc1OCc1ccc(C(=O)OC)o1 ZINC000274838144 497179246 /nfs/dbraw/zinc/17/92/46/497179246.db2.gz LJRLXJMBBQTQFE-UHFFFAOYSA-N 0 3 372.421 3.437 20 30 FGEDHN N#CCCN(Cc1ccco1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278690863 497190447 /nfs/dbraw/zinc/19/04/47/497190447.db2.gz SHGPSDBOBVHKQP-OAQYLSRUSA-N 0 3 353.466 3.286 20 30 FGEDHN COc1ccsc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271149038 497274274 /nfs/dbraw/zinc/27/42/74/497274274.db2.gz DWYCMPBNAUCYKK-UHFFFAOYSA-N 0 3 355.463 3.479 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000189911308 497290253 /nfs/dbraw/zinc/29/02/53/497290253.db2.gz KUZCGXQRBVTEAK-YADHBBJMSA-N 0 3 369.553 3.365 20 30 FGEDHN CCCN1CCC(N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279008430 497301409 /nfs/dbraw/zinc/30/14/09/497301409.db2.gz MOSFUQDXSVVHEX-UHFFFAOYSA-N 0 3 352.438 3.160 20 30 FGEDHN CC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[C@H]1c1ccccc1 ZINC000245408052 497391436 /nfs/dbraw/zinc/39/14/36/497391436.db2.gz FIHZAIBPYSFHMP-AZUAARDMSA-N 0 3 352.482 3.158 20 30 FGEDHN COc1ccccc1C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279404067 497429321 /nfs/dbraw/zinc/42/93/21/497429321.db2.gz VJSYPONQTXWQET-GOSISDBHSA-N 0 3 359.429 3.097 20 30 FGEDHN C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271902035 497483444 /nfs/dbraw/zinc/48/34/44/497483444.db2.gz AWXICFAIOOLLQY-KBXCAEBGSA-N 0 3 359.470 3.483 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(Sc3ccccc3)CC2)cc1 ZINC000575040370 505909932 /nfs/dbraw/zinc/90/99/32/505909932.db2.gz VNUHWDUDOPVNMD-UHFFFAOYSA-N 0 3 372.515 3.246 20 30 FGEDHN C#CCCOc1ccc(CNCCc2nc(C(=O)OCC)cs2)cc1 ZINC000276073694 497492370 /nfs/dbraw/zinc/49/23/70/497492370.db2.gz DUASUWIMVZEYKG-UHFFFAOYSA-N 0 3 358.463 3.054 20 30 FGEDHN Cn1cc(CNCc2ccnc(N3CCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000272097451 497534502 /nfs/dbraw/zinc/53/45/02/497534502.db2.gz FWAHZYFRXDIPBH-UHFFFAOYSA-N 0 3 372.476 3.244 20 30 FGEDHN CN(C)[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccsc1 ZINC000272098923 497535963 /nfs/dbraw/zinc/53/59/63/497535963.db2.gz GILNZTVYGSGJON-IBGZPJMESA-N 0 3 365.506 3.413 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](NC3CC(c4ccc(F)cc4)C3)C2=O)cc1 ZINC000190608541 497544535 /nfs/dbraw/zinc/54/45/35/497544535.db2.gz BFWGMKCGYOLPQP-MNLRITNHSA-N 0 3 363.436 3.334 20 30 FGEDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190633009 497554323 /nfs/dbraw/zinc/55/43/23/497554323.db2.gz QURVITLNODGZSI-IERDGZPVSA-N 0 3 363.461 3.409 20 30 FGEDHN COc1ccc([C@H](CNCc2cc(C#N)n(C)c2)N2CCCCC2)cc1 ZINC000190681022 497570706 /nfs/dbraw/zinc/57/07/06/497570706.db2.gz HVJVOIDZKKHPEY-NRFANRHFSA-N 0 3 352.482 3.222 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000245930364 497576336 /nfs/dbraw/zinc/57/63/36/497576336.db2.gz ZXTKDSQNBJLOMF-CZTZKLFOSA-N 0 3 366.461 3.055 20 30 FGEDHN COc1c(O)cccc1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000272248708 497576904 /nfs/dbraw/zinc/57/69/04/497576904.db2.gz BSLGGQUPAQYSMK-UHFFFAOYSA-N 0 3 353.422 3.147 20 30 FGEDHN CC(C)NC(=O)c1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190885953 497632888 /nfs/dbraw/zinc/63/28/88/497632888.db2.gz XOXKPDRXHLQDFY-INIZCTEOSA-N 0 3 358.401 3.258 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CNC(C)(C)C(C)(C)O)ccc1Cl ZINC000272547006 497657228 /nfs/dbraw/zinc/65/72/28/497657228.db2.gz GJNVSZISAXXQIH-UHFFFAOYSA-N 0 3 351.878 3.034 20 30 FGEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280207669 497681054 /nfs/dbraw/zinc/68/10/54/497681054.db2.gz UYSRDLUJMOAWBD-QMIHWGKISA-N 0 3 365.408 3.272 20 30 FGEDHN C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1=CCN(C)CC1 ZINC000272664473 497695468 /nfs/dbraw/zinc/69/54/68/497695468.db2.gz IVLRUYZJXFULQI-QGZVFWFLSA-N 0 3 360.461 3.253 20 30 FGEDHN Cn1cc(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000191058740 497696336 /nfs/dbraw/zinc/69/63/36/497696336.db2.gz GGLAFCQFDYERSK-KRWDZBQOSA-N 0 3 362.399 3.280 20 30 FGEDHN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280279259 497705551 /nfs/dbraw/zinc/70/55/51/497705551.db2.gz DLFKDJHSUCVFOJ-MAODMQOUSA-N 0 3 359.429 3.229 20 30 FGEDHN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280279264 497705821 /nfs/dbraw/zinc/70/58/21/497705821.db2.gz DLFKDJHSUCVFOJ-TYCQWZJGSA-N 0 3 359.429 3.229 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000246516293 497759454 /nfs/dbraw/zinc/75/94/54/497759454.db2.gz IOQLYZZURZTBFH-GMBSWORKSA-N 0 3 370.497 3.044 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCC#N ZINC000273107501 497799582 /nfs/dbraw/zinc/79/95/82/497799582.db2.gz AMOJNCLDWORVKN-UHFFFAOYSA-N 0 3 356.392 3.082 20 30 FGEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000246685893 497800162 /nfs/dbraw/zinc/80/01/62/497800162.db2.gz MROBYJOGKNSGDP-AZUAARDMSA-N 0 3 355.482 3.050 20 30 FGEDHN Cn1cnc(-c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000273137643 497802835 /nfs/dbraw/zinc/80/28/35/497802835.db2.gz WFXFJKCCYMZWAS-UHFFFAOYSA-N 0 3 372.476 3.430 20 30 FGEDHN COCCN(C)CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000263710614 497810144 /nfs/dbraw/zinc/81/01/44/497810144.db2.gz DJJMBLSPBYMJQW-UHFFFAOYSA-N 0 3 369.490 3.017 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3cc(C4CC4)ccn3)CC2)C[C@@H](C)O1 ZINC000329545032 497825679 /nfs/dbraw/zinc/82/56/79/497825679.db2.gz ZCWURFKEDUNCLZ-HZPDHXFCSA-N 0 3 372.513 3.326 20 30 FGEDHN CC(C)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Nc1ccccc1 ZINC000280646738 497840048 /nfs/dbraw/zinc/84/00/48/497840048.db2.gz SCQKDQZRQKQAFD-PZJWPPBQSA-N 0 3 360.461 3.493 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000329598621 497840912 /nfs/dbraw/zinc/84/09/12/497840912.db2.gz WMXLOEABYBRWEY-PBXWNFIWSA-N 0 3 359.495 3.488 20 30 FGEDHN CCN1CCC[C@H](NC(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)C1 ZINC000329641832 497854682 /nfs/dbraw/zinc/85/46/82/497854682.db2.gz XZGLVKUYTVSGMD-INIZCTEOSA-N 0 3 370.501 3.191 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329724424 497881740 /nfs/dbraw/zinc/88/17/40/497881740.db2.gz FWMJCLUVYMHETQ-MANSERQUSA-N 0 3 371.529 3.445 20 30 FGEDHN C[C@H]1[C@H](NC(=O)CSc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000575209196 505943172 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N#CC1(CCCN2CCCC[C@H]2CNC(=O)c2ccccc2)CCOCC1 ZINC000281985349 498344825 /nfs/dbraw/zinc/34/48/25/498344825.db2.gz MHJHGVHUSRCNPA-FQEVSTJZSA-N 0 3 369.509 3.371 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000361449362 498393392 /nfs/dbraw/zinc/39/33/92/498393392.db2.gz HAAKTXFRHPVSHG-PMACEKPBSA-N 0 3 352.482 3.118 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000361829230 498436751 /nfs/dbraw/zinc/43/67/51/498436751.db2.gz GLIPMVXTXPZZCJ-MRXNPFEDSA-N 0 3 351.410 3.186 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000365404743 498448947 /nfs/dbraw/zinc/44/89/47/498448947.db2.gz TVQVISYFXRCXEQ-DLBZAZTESA-N 0 3 350.447 3.103 20 30 FGEDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000293709837 498463622 /nfs/dbraw/zinc/46/36/22/498463622.db2.gz UOEPFGVJUHONDW-CVEARBPZSA-N 0 3 359.413 3.002 20 30 FGEDHN CCC[C@@]1(CO)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000290239769 498477957 /nfs/dbraw/zinc/47/79/57/498477957.db2.gz 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/nfs/dbraw/zinc/95/28/38/498952838.db2.gz KFHUSICLTWVPTC-FUHWJXTLSA-N 0 3 373.472 3.209 20 30 FGEDHN CN(C)C[C@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccc(Cl)cc1 ZINC000576285012 506121125 /nfs/dbraw/zinc/12/11/25/506121125.db2.gz ROIRYBNDFOJQPU-INIZCTEOSA-N 0 3 373.859 3.355 20 30 FGEDHN C[C@@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)C1=CCN(C)CC1 ZINC000328998776 499011105 /nfs/dbraw/zinc/01/11/05/499011105.db2.gz HCRJTTURKYOERL-LJHODMEESA-N 0 3 361.461 3.057 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329055757 499028186 /nfs/dbraw/zinc/02/81/86/499028186.db2.gz SMRGDJBYTBOKIH-AYBZRNKSSA-N 0 3 363.477 3.281 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3cnccn3)ccc2C)CC1 ZINC000366761856 499063980 /nfs/dbraw/zinc/06/39/80/499063980.db2.gz JQNUBFZSCFXAQP-UHFFFAOYSA-N 0 3 351.454 3.224 20 30 FGEDHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000329218447 499075542 /nfs/dbraw/zinc/07/55/42/499075542.db2.gz RTPGSSDJEVIHCJ-JXFKEZNVSA-N 0 3 369.509 3.204 20 30 FGEDHN 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PVFXRMMCGQGKOV-YPAWHYETSA-N 0 3 365.477 3.224 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000372652120 499157947 /nfs/dbraw/zinc/15/79/47/499157947.db2.gz ZWMSNNHLUXRKRO-UHFFFAOYSA-N 0 3 365.477 3.175 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367212800 499162158 /nfs/dbraw/zinc/16/21/58/499162158.db2.gz KPWHAIOUQVSIEP-GOSISDBHSA-N 0 3 367.449 3.062 20 30 FGEDHN CC(C)(C#N)CCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000367226626 499164627 /nfs/dbraw/zinc/16/46/27/499164627.db2.gz XEEBPESJCZUYEE-OAQYLSRUSA-N 0 3 354.542 3.208 20 30 FGEDHN C=CC[C@H](CC)NC(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000370005624 499165040 /nfs/dbraw/zinc/16/50/40/499165040.db2.gz HZWFZLMHGLPJAQ-YTQUADARSA-N 0 3 361.534 3.189 20 30 FGEDHN Cc1nnc(C2CCN(Cc3cc(C#N)ccc3Br)CC2)[nH]1 ZINC000372811699 499178666 /nfs/dbraw/zinc/17/86/66/499178666.db2.gz IYWHBAOKFZMIFE-UHFFFAOYSA-N 0 3 360.259 3.127 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000370286981 499205900 /nfs/dbraw/zinc/20/59/00/499205900.db2.gz AUFMNWCJKVRHNI-HNNXBMFYSA-N 0 3 359.436 3.401 20 30 FGEDHN Cc1c(Cl)cnc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1C#N ZINC000370705796 499246192 /nfs/dbraw/zinc/24/61/92/499246192.db2.gz JHORNAIQAAIAGU-YJBOKZPZSA-N 0 3 355.873 3.439 20 30 FGEDHN CN1CCC(Oc2cc(NC(=O)c3cc(C#N)ccc3Cl)ccn2)CC1 ZINC000367995583 499253088 /nfs/dbraw/zinc/25/30/88/499253088.db2.gz ANQCUYDSLJIXMF-UHFFFAOYSA-N 0 3 370.840 3.332 20 30 FGEDHN COc1cccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1O ZINC000368050201 499259638 /nfs/dbraw/zinc/25/96/38/499259638.db2.gz DJZLRAJPZYOZJL-UHFFFAOYSA-N 0 3 362.433 3.468 20 30 FGEDHN Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@@H](C)c2ccc(C#N)s2)oc1C ZINC000368104158 499264723 /nfs/dbraw/zinc/26/47/23/499264723.db2.gz BVYKBIVFSAPPFJ-QEJZJMRPSA-N 0 3 362.474 3.488 20 30 FGEDHN COCCN(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000368373637 499290172 /nfs/dbraw/zinc/29/01/72/499290172.db2.gz FPIYBEWDQDLDOI-VQTJNVASSA-N 0 3 351.450 3.013 20 30 FGEDHN CC[C@@H](CSc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000573199203 506141701 /nfs/dbraw/zinc/14/17/01/506141701.db2.gz OOOKKHRXGDCEPX-KRWDZBQOSA-N 0 3 374.531 3.492 20 30 FGEDHN CCCN1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000371496215 499334623 /nfs/dbraw/zinc/33/46/23/499334623.db2.gz YGIGNFWVQADCKD-UHFFFAOYSA-N 0 3 367.449 3.288 20 30 FGEDHN CC(=O)N1Cc2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2C1 ZINC000371517732 499336976 /nfs/dbraw/zinc/33/69/76/499336976.db2.gz FSPOESUPNPPFLX-UHFFFAOYSA-N 0 3 374.488 3.497 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CCOCC2)[C@@H]1C ZINC000368835977 499337839 /nfs/dbraw/zinc/33/78/39/499337839.db2.gz VYGMVLSTNRIPAL-IRXDYDNUSA-N 0 3 373.472 3.352 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369564725 499418365 /nfs/dbraw/zinc/41/83/65/499418365.db2.gz NMAQKCNNNKVTAL-GMBSWORKSA-N 0 3 369.490 3.196 20 30 FGEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372394320 499428368 /nfs/dbraw/zinc/42/83/68/499428368.db2.gz MAMCYEQCXXASJP-FHWLQOOXSA-N 0 3 360.502 3.162 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000369741660 499439930 /nfs/dbraw/zinc/43/99/30/499439930.db2.gz NFOKXKAECGKXLV-UHFFFAOYSA-N 0 3 354.454 3.100 20 30 FGEDHN N#Cc1ncn(C2CCN(CCCOc3ccc4ccccc4c3)CC2)n1 ZINC000373400513 499467558 /nfs/dbraw/zinc/46/75/58/499467558.db2.gz QKJCQMYVBGAECH-UHFFFAOYSA-N 0 3 361.449 3.409 20 30 FGEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000373503850 499473830 /nfs/dbraw/zinc/47/38/30/499473830.db2.gz UBBSPQYEHIJJMI-AHRSYUTCSA-N 0 3 369.509 3.107 20 30 FGEDHN C#CCC1(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CCCCC1 ZINC000375514745 499527207 /nfs/dbraw/zinc/52/72/07/499527207.db2.gz OHDPLRHVPDRTPP-HXUWFJFHSA-N 0 3 353.510 3.384 20 30 FGEDHN Cn1cc([C@@H](NC2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2)cn1 ZINC000375520909 499528096 /nfs/dbraw/zinc/52/80/96/499528096.db2.gz BNCVFXFYQJYHMC-QFIPXVFZSA-N 0 3 372.476 3.035 20 30 FGEDHN CCOC(=O)[C@@H]1CN(CCCC2(C#N)CCOCC2)Cc2ccccc21 ZINC000375619625 499538520 /nfs/dbraw/zinc/53/85/20/499538520.db2.gz FUOSBODMNWPIFU-LJQANCHMSA-N 0 3 356.466 3.249 20 30 FGEDHN Cc1cccc(OC2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000375683438 499544988 /nfs/dbraw/zinc/54/49/88/499544988.db2.gz RIFQPICIHILCEX-LJQANCHMSA-N 0 3 374.444 3.014 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000375922112 499568700 /nfs/dbraw/zinc/56/87/00/499568700.db2.gz UDSIYBMYHAFHRL-UXHICEINSA-N 0 3 351.450 3.048 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(Cc3ccc(F)cc3F)C2)cc1 ZINC000376714571 499631141 /nfs/dbraw/zinc/63/11/41/499631141.db2.gz DABIIZWOFQRYLL-SFHVURJKSA-N 0 3 365.383 3.220 20 30 FGEDHN C=C(CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000376792463 499634533 /nfs/dbraw/zinc/63/45/33/499634533.db2.gz MUBGDOHUJYELJJ-HXUWFJFHSA-N 0 3 364.493 3.306 20 30 FGEDHN COc1cc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)cc(OC)c1O ZINC000377655464 499716155 /nfs/dbraw/zinc/71/61/55/499716155.db2.gz WDBSVJVSAQVVNW-QGZVFWFLSA-N 0 3 367.449 3.040 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377732553 499726148 /nfs/dbraw/zinc/72/61/48/499726148.db2.gz MSRNIJPBBKYMFR-FQEVSTJZSA-N 0 3 367.474 3.418 20 30 FGEDHN CCOc1ccnc(N2CCCN(CCC3(C#N)CCCCC3)CC2)n1 ZINC000411329414 499726544 /nfs/dbraw/zinc/72/65/44/499726544.db2.gz VLBVFZCXEPDTIR-UHFFFAOYSA-N 0 3 357.502 3.252 20 30 FGEDHN CN(Cc1cc(C#N)n(C)c1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377905747 499746893 /nfs/dbraw/zinc/74/68/93/499746893.db2.gz HNOWPGWJOSLCMA-UHFFFAOYSA-N 0 3 365.481 3.273 20 30 FGEDHN CC(C)(C#N)CCCN1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000377930403 499749135 /nfs/dbraw/zinc/74/91/35/499749135.db2.gz CYFDROYHTMOEQK-UHFFFAOYSA-N 0 3 369.465 3.242 20 30 FGEDHN CN(C)C(=O)[C@H]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000414502831 499800132 /nfs/dbraw/zinc/80/01/32/499800132.db2.gz VFGHBPGWYDASMH-FQEVSTJZSA-N 0 3 363.461 3.047 20 30 FGEDHN CO[C@@](C)([C@@H](C)NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000411939346 499804885 /nfs/dbraw/zinc/80/48/85/499804885.db2.gz FKUDIGOYFMCQET-UTKZUKDTSA-N 0 3 357.498 3.343 20 30 FGEDHN COC1([C@H](C)NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC1 ZINC000412027518 499814446 /nfs/dbraw/zinc/81/44/46/499814446.db2.gz VQSMSXIXROBKDM-ZDUSSCGKSA-N 0 3 361.511 3.374 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1 ZINC000414985288 499851547 /nfs/dbraw/zinc/85/15/47/499851547.db2.gz HJPLYPBYNAQSAW-FQEVSTJZSA-N 0 3 363.461 3.095 20 30 FGEDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000415581459 499903811 /nfs/dbraw/zinc/90/38/11/499903811.db2.gz SKYVKNAIWCDEDD-KRWDZBQOSA-N 0 3 353.470 3.499 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416244339 499993604 /nfs/dbraw/zinc/99/36/04/499993604.db2.gz QMUKEQFOGFMZJC-FQEVSTJZSA-N 0 3 356.466 3.370 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000413609672 500002194 /nfs/dbraw/zinc/00/21/94/500002194.db2.gz BXMGLNFHCUPGGM-SFTDATJTSA-N 0 3 368.525 3.458 20 30 FGEDHN C=CCN1CC[C@H](N[C@@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000429271617 500039414 /nfs/dbraw/zinc/03/94/14/500039414.db2.gz IEZHPIYPNOSDPD-JKSUJKDBSA-N 0 3 363.299 3.449 20 30 FGEDHN C=CCc1cc(C(=O)Nc2ccc3c(c2)CNCC3)cc(OC)c1OC ZINC000429353401 500057401 /nfs/dbraw/zinc/05/74/01/500057401.db2.gz ZYUMSHAGZSOFGA-UHFFFAOYSA-N 0 3 352.434 3.330 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416699530 500091017 /nfs/dbraw/zinc/09/10/17/500091017.db2.gz WXWSRZOZRYCJBK-FQEVSTJZSA-N 0 3 352.482 3.275 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000425415421 500098235 /nfs/dbraw/zinc/09/82/35/500098235.db2.gz JRJDUSFFCXSNJC-KRWDZBQOSA-N 0 3 350.466 3.393 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000425533446 500135345 /nfs/dbraw/zinc/13/53/45/500135345.db2.gz DREPEODZIXHNTP-HNNXBMFYSA-N 0 3 350.422 3.289 20 30 FGEDHN CC(C)C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)N(C)C ZINC000429788449 500145958 /nfs/dbraw/zinc/14/59/58/500145958.db2.gz QNPJTPBLBXFGHW-SFHVURJKSA-N 0 3 367.497 3.170 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000425569317 500149080 /nfs/dbraw/zinc/14/90/80/500149080.db2.gz YLWROOFHUKETIV-UFYCRDLUSA-N 0 3 357.498 3.022 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCO[C@H](C)C1 ZINC000421846436 500163529 /nfs/dbraw/zinc/16/35/29/500163529.db2.gz SNBFETGRWGRZJP-HZPDHXFCSA-N 0 3 350.532 3.152 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000425836680 500203400 /nfs/dbraw/zinc/20/34/00/500203400.db2.gz BSACRQPYCZPCRO-MDNKFWRPSA-N 0 3 354.498 3.373 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)OCC(=O)N3)s1 ZINC000430585819 500258433 /nfs/dbraw/zinc/25/84/33/500258433.db2.gz RIIWJRIGSPKFHI-NSHDSACASA-N 0 3 355.419 3.262 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCC1(CC#N)CC1 ZINC000430677247 500268640 /nfs/dbraw/zinc/26/86/40/500268640.db2.gz FXFVQLNGVWTZPL-LJQANCHMSA-N 0 3 368.525 3.452 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418430884 500276000 /nfs/dbraw/zinc/27/60/00/500276000.db2.gz PMTITTAKXRFQKX-IBGZPJMESA-N 0 3 355.486 3.252 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419650032 500387800 /nfs/dbraw/zinc/38/78/00/500387800.db2.gz TVXIVXIHMSBLOS-QRWLVFNGSA-N 0 3 354.498 3.307 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000419830204 500403610 /nfs/dbraw/zinc/40/36/10/500403610.db2.gz FWHKRZTVUYNWHW-GFCCVEGCSA-N 0 3 357.435 3.458 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000424079127 500448883 /nfs/dbraw/zinc/44/88/83/500448883.db2.gz FKXFRIJHPXWZPH-NSHDSACASA-N 0 3 364.165 3.428 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000424082626 500449337 /nfs/dbraw/zinc/44/93/37/500449337.db2.gz AGYLZNRDHIJMTJ-LJQANCHMSA-N 0 3 355.413 3.042 20 30 FGEDHN COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424117472 500456427 /nfs/dbraw/zinc/45/64/27/500456427.db2.gz YXJCJBCOTGYARK-ROUUACIJSA-N 0 3 373.497 3.039 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000424116591 500456643 /nfs/dbraw/zinc/45/66/43/500456643.db2.gz XPCMECZLHFOKGQ-QGZVFWFLSA-N 0 3 357.454 3.098 20 30 FGEDHN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)[C@H](N)CCCC#N)n2)c1 ZINC000424149473 500460416 /nfs/dbraw/zinc/46/04/16/500460416.db2.gz WMEBLHDRYPTURQ-AEFFLSMTSA-N 0 3 351.454 3.070 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000424173235 500463278 /nfs/dbraw/zinc/46/32/78/500463278.db2.gz OBVXKGCSWPYPFJ-ZFWWWQNUSA-N 0 3 369.296 3.100 20 30 FGEDHN CCC(CC)(CNCc1cnc2ccc(C#N)cn12)C(=O)OC(C)(C)C ZINC000424184350 500464472 /nfs/dbraw/zinc/46/44/72/500464472.db2.gz DTPLQXBHVNRAMD-UHFFFAOYSA-N 0 3 356.470 3.444 20 30 FGEDHN CN(C)CCN1CCC(Nc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428102744 500469147 /nfs/dbraw/zinc/46/91/47/500469147.db2.gz WRLIWLNBZIUZPM-UHFFFAOYSA-N 0 3 355.530 3.005 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000424242910 500473997 /nfs/dbraw/zinc/47/39/97/500473997.db2.gz JPNNMKNTXWTJIZ-IRXDYDNUSA-N 0 3 361.559 3.487 20 30 FGEDHN Cc1cc(CN)cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000424422995 500501656 /nfs/dbraw/zinc/50/16/56/500501656.db2.gz FNAOEWMEHWEXGQ-UHFFFAOYSA-N 0 3 364.449 3.401 20 30 FGEDHN C[C@H]1CCN(C(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000420881213 500520652 /nfs/dbraw/zinc/52/06/52/500520652.db2.gz DYBJDASUSCKIOV-INIZCTEOSA-N 0 3 368.506 3.426 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424649345 500535517 /nfs/dbraw/zinc/53/55/17/500535517.db2.gz MUFWISZKIUUWRF-UHFFFAOYSA-N 0 3 367.287 3.146 20 30 FGEDHN C[C@H](CNC(=O)NCc1ccc(CC#N)cc1)N(C)Cc1ccccc1 ZINC000573481232 506202192 /nfs/dbraw/zinc/20/21/92/506202192.db2.gz OHDLBGIKMADZKK-QGZVFWFLSA-N 0 3 350.466 3.072 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@@H]2CCCN2C)c1C#N ZINC000421000740 500551609 /nfs/dbraw/zinc/55/16/09/500551609.db2.gz KFZBSEWORBXIDK-SFHVURJKSA-N 0 3 371.529 3.056 20 30 FGEDHN CN(Cc1ccccc1)C1(CNC(=O)N2CCC(CC#N)CC2)CCC1 ZINC000582403800 506203603 /nfs/dbraw/zinc/20/36/03/506203603.db2.gz VUBGQQQCHGNZIB-UHFFFAOYSA-N 0 3 354.498 3.376 20 30 FGEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433021770 500608064 /nfs/dbraw/zinc/60/80/64/500608064.db2.gz HRKSGMIKEAFBQP-GOSISDBHSA-N 0 3 365.433 3.421 20 30 FGEDHN CC[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000447529791 500618083 /nfs/dbraw/zinc/61/80/83/500618083.db2.gz MPBKYGWMTBRKGJ-LJQANCHMSA-N 0 3 358.463 3.081 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000437248435 500620472 /nfs/dbraw/zinc/62/04/72/500620472.db2.gz FYDRPVUAKMLOBZ-OXQOHEQNSA-N 0 3 369.465 3.120 20 30 FGEDHN COC(=O)c1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433223002 500650413 /nfs/dbraw/zinc/65/04/13/500650413.db2.gz ZFIWZSNHTQJZDH-LJQANCHMSA-N 0 3 350.418 3.204 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433299546 500665594 /nfs/dbraw/zinc/66/55/94/500665594.db2.gz BTXPNUAVOBCXFP-JOCHJYFZSA-N 0 3 374.488 3.221 20 30 FGEDHN COc1ccc(-n2ccc(CNC(=O)C(C#N)CCc3ccccc3)n2)cc1 ZINC000433306286 500667790 /nfs/dbraw/zinc/66/77/90/500667790.db2.gz RYHALSGVKATLAM-SFHVURJKSA-N 0 3 374.444 3.270 20 30 FGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000448043425 500711762 /nfs/dbraw/zinc/71/17/62/500711762.db2.gz NRWCFMJMAIOMBM-HXUWFJFHSA-N 0 3 366.509 3.477 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000437992175 500726097 /nfs/dbraw/zinc/72/60/97/500726097.db2.gz JJNANAKUXQFPNM-GIVPXCGWSA-N 0 3 371.525 3.274 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)n2)N(C)C)cc1 ZINC000570716526 506215027 /nfs/dbraw/zinc/21/50/27/506215027.db2.gz KLTVIQUWXBXAHE-GOSISDBHSA-N 0 3 367.453 3.165 20 30 FGEDHN CCN(C(=O)c1cc(C#N)[nH]c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000448766622 500828045 /nfs/dbraw/zinc/82/80/45/500828045.db2.gz COCUBBQGKJZPQE-VQIMIIECSA-N 0 3 350.466 3.492 20 30 FGEDHN CCN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000448768679 500828571 /nfs/dbraw/zinc/82/85/71/500828571.db2.gz RGKNYFIFSHFPTA-QFBILLFUSA-N 0 3 350.466 3.194 20 30 FGEDHN COc1ccc(OC(F)F)c(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602570176 506221093 /nfs/dbraw/zinc/22/10/93/506221093.db2.gz WEWUOHASYWSBCM-CYBMUJFWSA-N 0 3 354.397 3.485 20 30 FGEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000434841106 500900868 /nfs/dbraw/zinc/90/08/68/500900868.db2.gz FGGFQURVZSUTCF-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN C=CC[C@H]1N(CC(=O)NCc2ccc(OCCOC)cc2)CCCC1(C)C ZINC000444789906 500901172 /nfs/dbraw/zinc/90/11/72/500901172.db2.gz GSOHLXCVJYBKTF-HXUWFJFHSA-N 0 3 374.525 3.395 20 30 FGEDHN C[C@@H](N[C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611589742 506223948 /nfs/dbraw/zinc/22/39/48/506223948.db2.gz VWRUCKWYKZUZKM-VGSWGCGISA-N 0 3 367.468 3.375 20 30 FGEDHN C=CC[C@@H]1N(C(=O)NC2CCN(CCCOC)CC2)CCCC1(C)C ZINC000445027448 500934418 /nfs/dbraw/zinc/93/44/18/500934418.db2.gz GGHMNWHBZGDNTK-SFHVURJKSA-N 0 3 351.535 3.264 20 30 FGEDHN C=CC[C@@H]1N(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CCCC1(C)C ZINC000445151758 500949253 /nfs/dbraw/zinc/94/92/53/500949253.db2.gz UFVPTQDYEXHDMI-MOPGFXCFSA-N 0 3 364.578 3.036 20 30 FGEDHN CN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000440065276 500971441 /nfs/dbraw/zinc/97/14/41/500971441.db2.gz VCRKUEJKQDILCG-UHFFFAOYSA-N 0 3 362.477 3.123 20 30 FGEDHN CS[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1N1CCCC1 ZINC000445609003 501010479 /nfs/dbraw/zinc/01/04/79/501010479.db2.gz QLSDVRZQTNBHRB-DLBZAZTESA-N 0 3 374.460 3.401 20 30 FGEDHN C[C@H]1CCCN(CCNC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000435872362 501039486 /nfs/dbraw/zinc/03/94/86/501039486.db2.gz XUFIWZQAKVQRBL-KRWDZBQOSA-N 0 3 352.482 3.407 20 30 FGEDHN C=CCC1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCCC1 ZINC000449625048 501046125 /nfs/dbraw/zinc/04/61/25/501046125.db2.gz AOUQVQBLCJATEZ-UHFFFAOYSA-N 0 3 355.526 3.187 20 30 FGEDHN O=C1NC(CC(F)(F)F)C(=O)N1c1cccc(C#Cc2ccccc2)c1 ZINC000445903151 501049537 /nfs/dbraw/zinc/04/95/37/501049537.db2.gz JJXCXSSZLJRDBY-MRXNPFEDSA-N 0 3 358.319 3.464 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000441123358 501091077 /nfs/dbraw/zinc/09/10/77/501091077.db2.gz XYVUJGMTYSLFFI-UHFFFAOYSA-N 0 3 371.868 3.425 20 30 FGEDHN N#Cc1cccc(C#N)c1NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000436314683 501106146 /nfs/dbraw/zinc/10/61/46/501106146.db2.gz RMAZDTDRFCNBJR-UHFFFAOYSA-N 0 3 373.504 3.440 20 30 FGEDHN C=CCC1(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)CCCC1 ZINC000450820831 501213616 /nfs/dbraw/zinc/21/36/16/501213616.db2.gz PCAHBOQPRLCEGG-QFIPXVFZSA-N 0 3 356.510 3.218 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000450271439 501223171 /nfs/dbraw/zinc/22/31/71/501223171.db2.gz YGYWFNKDEQFCHC-GOSISDBHSA-N 0 3 374.448 3.091 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H]2CCc3c2cccc3O)c(OC)c1 ZINC000451176127 501250067 /nfs/dbraw/zinc/25/00/67/501250067.db2.gz OOBXRXANHQYXSM-QFBILLFUSA-N 0 3 369.461 3.146 20 30 FGEDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000451227216 501253561 /nfs/dbraw/zinc/25/35/61/501253561.db2.gz CTNQDSWFENYSEI-QRQLOZEOSA-N 0 3 371.481 3.033 20 30 FGEDHN CN(CCC(=O)Nc1cccc(C#N)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451333118 501267914 /nfs/dbraw/zinc/26/79/14/501267914.db2.gz QXNOHDSZEBVOGP-GOSISDBHSA-N 0 3 357.841 3.206 20 30 FGEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)c(I)c1 ZINC000453355575 501319311 /nfs/dbraw/zinc/31/93/11/501319311.db2.gz MLAUFGZWIHEVOM-PWSUYJOCSA-N 0 3 363.214 3.408 20 30 FGEDHN C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453425722 501329134 /nfs/dbraw/zinc/32/91/34/501329134.db2.gz OQTCFBODMPKZHT-GOSISDBHSA-N 0 3 357.477 3.113 20 30 FGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000451595501 501333122 /nfs/dbraw/zinc/33/31/22/501333122.db2.gz DEMLKHMNKJHESE-QRQLOZEOSA-N 0 3 371.481 3.033 20 30 FGEDHN CCCCN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1OC ZINC000451653663 501345169 /nfs/dbraw/zinc/34/51/69/501345169.db2.gz TXLPDBKVVKTXBA-WOJBJXKFSA-N 0 3 357.498 3.234 20 30 FGEDHN C=CCOc1ccc(Br)cc1NC(=O)C1CCN(C)CC1 ZINC000458034463 501360274 /nfs/dbraw/zinc/36/02/74/501360274.db2.gz MEXNHISJORWZFW-UHFFFAOYSA-N 0 3 353.260 3.294 20 30 FGEDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000451836071 501383006 /nfs/dbraw/zinc/38/30/06/501383006.db2.gz GPSLWLFVTGUFSZ-IRXDYDNUSA-N 0 3 374.554 3.293 20 30 FGEDHN CC(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458200421 501390692 /nfs/dbraw/zinc/39/06/92/501390692.db2.gz PKYKDYMQZIFKDI-UIAACRFSSA-N 0 3 351.425 3.070 20 30 FGEDHN CC(C)(C)CC(C)(C)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000451909022 501398743 /nfs/dbraw/zinc/39/87/43/501398743.db2.gz ZFTUUTVSUIMSAB-UHFFFAOYSA-N 0 3 370.541 3.007 20 30 FGEDHN CC(=O)Nc1cccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000602659920 506250704 /nfs/dbraw/zinc/25/07/04/506250704.db2.gz VWSXJWRWRLBOAI-UHFFFAOYSA-N 0 3 350.466 3.080 20 30 FGEDHN C[C@@H]1CN(CC2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)C[C@H](C)O1 ZINC000455924468 501417244 /nfs/dbraw/zinc/41/72/44/501417244.db2.gz VYVPOVRCUKCWIU-CALCHBBNSA-N 0 3 370.497 3.106 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)CN1CCCC1 ZINC000452095544 501434071 /nfs/dbraw/zinc/43/40/71/501434071.db2.gz LTPHPTOHINOJHC-INIZCTEOSA-N 0 3 374.554 3.341 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000452122834 501440085 /nfs/dbraw/zinc/44/00/85/501440085.db2.gz UWJZIFLCJCJGMM-IAGOWNOFSA-N 0 3 374.554 3.291 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000456326871 501499147 /nfs/dbraw/zinc/49/91/47/501499147.db2.gz GVHVBDPEYNATOU-GCJKJVERSA-N 0 3 351.494 3.441 20 30 FGEDHN C=CCC1(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCCCC1 ZINC000458668077 501503405 /nfs/dbraw/zinc/50/34/05/501503405.db2.gz WVQIUNIZNQIXPA-FQEVSTJZSA-N 0 3 371.525 3.331 20 30 FGEDHN C=CC(C)(C)CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000454352641 501521314 /nfs/dbraw/zinc/52/13/14/501521314.db2.gz BDGPOBGKXJFNLU-UHFFFAOYSA-N 0 3 358.530 3.100 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000456793195 501599942 /nfs/dbraw/zinc/59/99/42/501599942.db2.gz PSYKAYJSXZMDNH-UHFFFAOYSA-N 0 3 358.829 3.265 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CC(F)(F)C1 ZINC000459135095 501601184 /nfs/dbraw/zinc/60/11/84/501601184.db2.gz KVYUMXOWHDVMRW-UHFFFAOYSA-N 0 3 364.440 3.067 20 30 FGEDHN CCOc1cccc(CN(CCO)C(=O)C(C#N)CCc2ccccc2)c1 ZINC000456972367 501627994 /nfs/dbraw/zinc/62/79/94/501627994.db2.gz XFYSCAFFWAUQQP-HXUWFJFHSA-N 0 3 366.461 3.179 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454814547 501636078 /nfs/dbraw/zinc/63/60/78/501636078.db2.gz YIZAHOJAPGQRCI-QRWLVFNGSA-N 0 3 366.440 3.017 20 30 FGEDHN CN(Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCN(c2ccncc2)CC1 ZINC000459371952 501641361 /nfs/dbraw/zinc/64/13/61/501641361.db2.gz KTMPDFIIQDHMHH-UHFFFAOYSA-N 0 3 365.437 3.210 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000454911368 501653997 /nfs/dbraw/zinc/65/39/97/501653997.db2.gz LSXHKAUTRINRJX-HDYDNRTBSA-N 0 3 368.525 3.480 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C)C1 ZINC000459455939 501657247 /nfs/dbraw/zinc/65/72/47/501657247.db2.gz FHYVNZNJFPSGLT-HZPDHXFCSA-N 0 3 362.905 3.001 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000459561851 501676891 /nfs/dbraw/zinc/67/68/91/501676891.db2.gz NJVTVWTYZPQASA-SWLSCSKDSA-N 0 3 355.467 3.108 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000459603649 501685415 /nfs/dbraw/zinc/68/54/15/501685415.db2.gz IGYJSPWPANBJQM-UHFFFAOYSA-N 0 3 363.874 3.264 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1F ZINC000457483558 501707874 /nfs/dbraw/zinc/70/78/74/501707874.db2.gz FPVIYOODOOYGGN-QGZVFWFLSA-N 0 3 372.469 3.395 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000596126261 506270459 /nfs/dbraw/zinc/27/04/59/506270459.db2.gz LMDYHQWYJFUIQN-OAQYLSRUSA-N 0 3 362.477 3.017 20 30 FGEDHN CC[C@@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463507389 501746287 /nfs/dbraw/zinc/74/62/87/501746287.db2.gz PCOXKRBMKGGWKD-NHCUHLMSSA-N 0 3 371.525 3.434 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000463512613 501747119 /nfs/dbraw/zinc/74/71/19/501747119.db2.gz AMIPBBYQXJOSQU-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN CCN(Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1)C1CC1 ZINC000460264995 501774651 /nfs/dbraw/zinc/77/46/51/501774651.db2.gz PVZNGZKFMXALJA-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN CCN(CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(C)c1 ZINC000470758923 501793924 /nfs/dbraw/zinc/79/39/24/501793924.db2.gz ZHLIGCRJSWBNKN-FQEVSTJZSA-N 0 3 360.461 3.192 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000470758322 501794378 /nfs/dbraw/zinc/79/43/78/501794378.db2.gz WLFHVCZGSOZTFT-INIZCTEOSA-N 0 3 355.344 3.158 20 30 FGEDHN CC(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(F)(F)F ZINC000470775571 501798649 /nfs/dbraw/zinc/79/86/49/501798649.db2.gz ZMCIZKFZXKOXOF-NSHDSACASA-N 0 3 353.344 3.406 20 30 FGEDHN C=C(C)[C@@H](NCCc1nnnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000481595951 501826971 /nfs/dbraw/zinc/82/69/71/501826971.db2.gz UZEAQWXJRNADOV-LJQANCHMSA-N 0 3 355.392 3.390 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000470965827 501874400 /nfs/dbraw/zinc/87/44/00/501874400.db2.gz HSBSWHVOOOILOX-NJDAHSKKSA-N 0 3 359.429 3.135 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000470988919 501884204 /nfs/dbraw/zinc/88/42/04/501884204.db2.gz KGPYABYQWFGVHZ-XJKSGUPXSA-N 0 3 353.372 3.439 20 30 FGEDHN COC(=O)c1oc(CNC2CCN(c3ccc(C#N)cc3)CC2)cc1C ZINC000602742418 506282221 /nfs/dbraw/zinc/28/22/21/506282221.db2.gz GHIAWHAIEHLCNR-UHFFFAOYSA-N 0 3 353.422 3.005 20 30 FGEDHN COc1c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)oc2ccccc21 ZINC000471142400 501933677 /nfs/dbraw/zinc/93/36/77/501933677.db2.gz AXTVDKOPISXKGF-MRXNPFEDSA-N 0 3 359.385 3.312 20 30 FGEDHN Cc1cccc(OCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1C ZINC000471158583 501939400 /nfs/dbraw/zinc/93/94/00/501939400.db2.gz ZTYHJYMJLMGLFQ-FQEVSTJZSA-N 0 3 361.445 3.443 20 30 FGEDHN N#Cc1nc(NC2CCN(CCOc3ccc(F)cc3)CC2)ccc1Cl ZINC000474780123 501950591 /nfs/dbraw/zinc/95/05/91/501950591.db2.gz MKWDOWUBWFESCM-UHFFFAOYSA-N 0 3 374.847 3.123 20 30 FGEDHN C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCCC[C@@H]1C ZINC000468249425 502004396 /nfs/dbraw/zinc/00/43/96/502004396.db2.gz IOEQYCFYITZXCV-LSDHHAIUSA-N 0 3 352.438 3.206 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(OC)c1 ZINC000478563309 502019365 /nfs/dbraw/zinc/01/93/65/502019365.db2.gz JZXZVRZALBRESA-IAGOWNOFSA-N 0 3 360.498 3.182 20 30 FGEDHN C=CCN(CCOC)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000482411731 502061566 /nfs/dbraw/zinc/06/15/66/502061566.db2.gz SYHHTCUQFKNLFX-SFHVURJKSA-N 0 3 370.415 3.102 20 30 FGEDHN CO[C@@]1(CNCc2cccc(OCc3ccccc3C#N)c2)CCOC1 ZINC000461424031 502108646 /nfs/dbraw/zinc/10/86/46/502108646.db2.gz WEAOXKIABQXHQI-OAQYLSRUSA-N 0 3 352.434 3.032 20 30 FGEDHN CCCCO[C@@H]1C[C@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000482654672 502141692 /nfs/dbraw/zinc/14/16/92/502141692.db2.gz GHOCVTZWAWEEBA-GBESFXJTSA-N 0 3 355.482 3.237 20 30 FGEDHN CN(C)C[C@H]1CCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000464930667 502148403 /nfs/dbraw/zinc/14/84/03/502148403.db2.gz DRJFQCOKGDQOEP-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCn1c(SC[C@H](C)N(C)C)nnc1[C@H]1COc2ccccc2O1 ZINC000479201127 502191605 /nfs/dbraw/zinc/19/16/05/502191605.db2.gz AINOFQYDGDMHDD-XJKSGUPXSA-N 0 3 360.483 3.019 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc(-c3ccncc3)cs2)cc1 ZINC000472020627 502201470 /nfs/dbraw/zinc/20/14/70/502201470.db2.gz FYGCSGBROJTULV-KRWDZBQOSA-N 0 3 373.441 3.075 20 30 FGEDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475588445 502221200 /nfs/dbraw/zinc/22/12/00/502221200.db2.gz HHWMNVABUIFWSC-QGZVFWFLSA-N 0 3 355.548 3.034 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](CO)C/C=C\C)cc1OC ZINC000472141061 502245827 /nfs/dbraw/zinc/24/58/27/502245827.db2.gz XLTIPEHLJSANOB-KXQLTZBTSA-N 0 3 370.287 3.439 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000472148352 502248179 /nfs/dbraw/zinc/24/81/79/502248179.db2.gz ZQQXDPHOLFBWBJ-YOEHRIQHSA-N 0 3 357.417 3.005 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000465403023 502251267 /nfs/dbraw/zinc/25/12/67/502251267.db2.gz GHWSJPFVYBLPOR-RRMPHLOHSA-N 0 3 373.497 3.124 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000461955878 502251604 /nfs/dbraw/zinc/25/16/04/502251604.db2.gz IYAYOYZEWICYTE-RLLQIKCJSA-N 0 3 368.525 3.451 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@]2(CO)CC(C)C)c1 ZINC000475716292 502262121 /nfs/dbraw/zinc/26/21/21/502262121.db2.gz PQOJMSGXSZHUSE-QFIPXVFZSA-N 0 3 371.525 3.423 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462021916 502277810 /nfs/dbraw/zinc/27/78/10/502277810.db2.gz GEVOKTCNOQJKER-OAHLLOKOSA-N 0 3 351.454 3.154 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(c3nc4ccccc4s3)C2)cc1 ZINC000472256272 502286423 /nfs/dbraw/zinc/28/64/23/502286423.db2.gz GCNDIHWYANHLIR-INIZCTEOSA-N 0 3 372.453 3.476 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC2(CCOCC2)C1)C(C)C ZINC000465544052 502300822 /nfs/dbraw/zinc/30/08/22/502300822.db2.gz LIOQNUBWMOXGIG-IBGZPJMESA-N 0 3 363.546 3.287 20 30 FGEDHN Cc1sc2ncc(C(=O)C(C#N)c3nccc4ccccc43)c(=O)n2c1C ZINC000483189236 502308061 /nfs/dbraw/zinc/30/80/61/502308061.db2.gz BNPNIIVNRBURHJ-HNNXBMFYSA-N 0 3 374.425 3.411 20 30 FGEDHN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1cnc2ccccc2n1 ZINC000483230577 502319357 /nfs/dbraw/zinc/31/93/57/502319357.db2.gz PFFQFTICGJBHSZ-MRXNPFEDSA-N 0 3 356.385 3.012 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2csc(-c3ccco3)n2)cc1 ZINC000472347969 502324372 /nfs/dbraw/zinc/32/43/72/502324372.db2.gz HYTVXCYZOXAJPQ-OAHLLOKOSA-N 0 3 362.414 3.273 20 30 FGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469231039 502343576 /nfs/dbraw/zinc/34/35/76/502343576.db2.gz DNWIRHPDWYKUDY-GASCZTMLSA-N 0 3 352.438 3.206 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000487144543 502371937 /nfs/dbraw/zinc/37/19/37/502371937.db2.gz GFXZCDRPFZRXEV-QGZVFWFLSA-N 0 3 369.431 3.500 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2C(F)F)cc1 ZINC000483478468 502404797 /nfs/dbraw/zinc/40/47/97/502404797.db2.gz RNEAXLMHXKZAPD-BXUZGUMPSA-N 0 3 371.409 3.024 20 30 FGEDHN CO[C@H]1CCCC[C@H]1NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000483685669 502462987 /nfs/dbraw/zinc/46/29/87/502462987.db2.gz PICXGPGBYLSMOU-MSOLQXFVSA-N 0 3 363.889 3.442 20 30 FGEDHN COCCN(CCN(C)C)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000472883728 502465634 /nfs/dbraw/zinc/46/56/34/502465634.db2.gz PPIGYTJBSLPRPU-UHFFFAOYSA-N 0 3 365.477 3.128 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000599088229 506318320 /nfs/dbraw/zinc/31/83/20/506318320.db2.gz OXRGGUHTVHBHNQ-BHDDXSALSA-N 0 3 359.473 3.034 20 30 FGEDHN C=CCOc1ccc(CNc2cccc(CN3CC[C@H](O)C3)c2)cc1OC ZINC000462861813 502603697 /nfs/dbraw/zinc/60/36/97/502603697.db2.gz TXJXREOCBNIEJX-FQEVSTJZSA-N 0 3 368.477 3.439 20 30 FGEDHN COc1cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)ccc1C#N ZINC000463026867 502664843 /nfs/dbraw/zinc/66/48/43/502664843.db2.gz CNCXJYLDUFTRQU-QFIPXVFZSA-N 0 3 350.462 3.384 20 30 FGEDHN C[C@@H](c1nc(-c2ccnc(OCCN(C)C)c2)no1)c1cccc(C#N)c1 ZINC000463044128 502673553 /nfs/dbraw/zinc/67/35/53/502673553.db2.gz QUTNEVAWWFDSPZ-CQSZACIVSA-N 0 3 363.421 3.095 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000484631445 502690255 /nfs/dbraw/zinc/69/02/55/502690255.db2.gz IGHNQFVXLOUCAL-ZVDOUQERSA-N 0 3 355.482 3.083 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN(C)[C@H]2CCN(C3CC3)C2)ccc1Cl ZINC000470221759 502709285 /nfs/dbraw/zinc/70/92/85/502709285.db2.gz CSCZPDBGYXUOCJ-SFHVURJKSA-N 0 3 374.916 3.064 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000480998241 502724094 /nfs/dbraw/zinc/72/40/94/502724094.db2.gz LHOMPKBOTDHNKD-FSPWUOQZSA-N 0 3 369.446 3.050 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(CC2CC2)CC2CC2)cc1 ZINC000481005350 502726368 /nfs/dbraw/zinc/72/63/68/502726368.db2.gz WQSWOLHTRFVRLC-CYBMUJFWSA-N 0 3 361.467 3.026 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1cnc2cc(F)c(F)cc2n1 ZINC000470500188 502797185 /nfs/dbraw/zinc/79/71/85/502797185.db2.gz JBAUWXBHZOZHNN-UHFFFAOYSA-N 0 3 367.403 3.348 20 30 FGEDHN CN(C)C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(F)cc1 ZINC000588776768 506335018 /nfs/dbraw/zinc/33/50/18/506335018.db2.gz ATGAKDQKABXYGE-SFHVURJKSA-N 0 3 364.424 3.337 20 30 FGEDHN CN(C)C1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCC1 ZINC000474087965 502804746 /nfs/dbraw/zinc/80/47/46/502804746.db2.gz LSBMELFAXZNDNS-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC)C(C)C ZINC000495415973 502836500 /nfs/dbraw/zinc/83/65/00/502836500.db2.gz VTFQEBKSCBKHND-GOSISDBHSA-N 0 3 356.470 3.387 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488923449 502839369 /nfs/dbraw/zinc/83/93/69/502839369.db2.gz YQSYVQUGUPDEGL-ZIFCJYIRSA-N 0 3 357.498 3.123 20 30 FGEDHN COC(=O)C[C@@](C)(NCCOc1cccc(C#N)c1)c1cccc(F)c1 ZINC000513134070 502859875 /nfs/dbraw/zinc/85/98/75/502859875.db2.gz SHUXMONLAYHMFJ-HXUWFJFHSA-N 0 3 356.397 3.144 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000505235112 502874348 /nfs/dbraw/zinc/87/43/48/502874348.db2.gz FORGUMIQXJJXCC-HXUWFJFHSA-N 0 3 351.425 3.193 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000496723938 502901852 /nfs/dbraw/zinc/90/18/52/502901852.db2.gz PLGKKVLWMRBGSA-UHFFFAOYSA-N 0 3 367.493 3.292 20 30 FGEDHN Cc1cc(C(=O)NCC(C)(C)N2CCCCC2)nn1-c1cccc(C#N)c1 ZINC000505434911 502903788 /nfs/dbraw/zinc/90/37/88/502903788.db2.gz PRINVAUUWQLXKU-UHFFFAOYSA-N 0 3 365.481 3.047 20 30 FGEDHN C=C(CNC(=O)NCc1ccccc1OCCN(C)C)c1ccccc1 ZINC000489291678 502920698 /nfs/dbraw/zinc/92/06/98/502920698.db2.gz RWDXGOMDULQKQO-UHFFFAOYSA-N 0 3 353.466 3.140 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1cccc(C#N)c1C)c1ccccc1 ZINC000509518143 502923919 /nfs/dbraw/zinc/92/39/19/502923919.db2.gz WNRDKLGSRVJYOI-NRFANRHFSA-N 0 3 365.477 3.306 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC#Cc1ccccc1 ZINC000489401387 502948837 /nfs/dbraw/zinc/94/88/37/502948837.db2.gz WRRAABMFVUHOOG-DENIHFKCSA-N 0 3 361.489 3.248 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602904136 506344687 /nfs/dbraw/zinc/34/46/87/506344687.db2.gz LXTNZPRUSXMYID-UHFFFAOYSA-N 0 3 352.413 3.301 20 30 FGEDHN C=CCCCS(=O)(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000489699521 503014335 /nfs/dbraw/zinc/01/43/35/503014335.db2.gz LUFHNJGGDINDGC-PMACEKPBSA-N 0 3 362.539 3.269 20 30 FGEDHN COc1cc(CN2CC[C@@H]([C@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000506036530 503033701 /nfs/dbraw/zinc/03/37/01/503033701.db2.gz NHXDAGKUFKPVNJ-OXJNMPFZSA-N 0 3 366.461 3.349 20 30 FGEDHN N#Cc1ccc(C2CCN(CCC(=O)NCC3CCCCC3)CC2)nc1 ZINC000602908645 506348091 /nfs/dbraw/zinc/34/80/91/506348091.db2.gz FLIOKKMGYMBZSS-UHFFFAOYSA-N 0 3 354.498 3.219 20 30 FGEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC#Cc1cccc(F)c1 ZINC000513920430 503049903 /nfs/dbraw/zinc/04/99/03/503049903.db2.gz OETDCQRCOWAAJG-UHFFFAOYSA-N 0 3 350.393 3.415 20 30 FGEDHN C[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000501772347 503076071 /nfs/dbraw/zinc/07/60/71/503076071.db2.gz FSORBEYEZKWPCD-HUUCEWRRSA-N 0 3 352.400 3.151 20 30 FGEDHN C[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000501772349 503076119 /nfs/dbraw/zinc/07/61/19/503076119.db2.gz FSORBEYEZKWPCD-LSDHHAIUSA-N 0 3 352.400 3.151 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc(F)cc1F)C(C)C ZINC000514075037 503080320 /nfs/dbraw/zinc/08/03/20/503080320.db2.gz YPNNEQVLPDZNNZ-SFHVURJKSA-N 0 3 351.441 3.463 20 30 FGEDHN C=CCn1cccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000490043961 503097337 /nfs/dbraw/zinc/09/73/37/503097337.db2.gz QRRSPGHTJHNORD-IBGZPJMESA-N 0 3 352.482 3.196 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)N(C)C ZINC000510512592 503129361 /nfs/dbraw/zinc/12/93/61/503129361.db2.gz PHWPOBSUGBKOFA-WEYGHZABSA-N 0 3 374.488 3.357 20 30 FGEDHN COc1ccc(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)nc1 ZINC000593041965 506355235 /nfs/dbraw/zinc/35/52/35/506355235.db2.gz UBTMFMVAGCEXJQ-UHFFFAOYSA-N 0 3 364.449 3.170 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1nccc(C#N)c1Cl ZINC000514785230 503192884 /nfs/dbraw/zinc/19/28/84/503192884.db2.gz KJALYHLBRPGBOH-UHFFFAOYSA-N 0 3 350.800 3.453 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCCn2cc(C)nc21)C(C)C ZINC000502632664 503242127 /nfs/dbraw/zinc/24/21/27/503242127.db2.gz WLTZIHVFZQHQON-RBUKOAKNSA-N 0 3 373.545 3.067 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCn2cc(C)nc21)C(C)C ZINC000502632663 503242437 /nfs/dbraw/zinc/24/24/37/503242437.db2.gz WLTZIHVFZQHQON-OALUTQOASA-N 0 3 373.545 3.067 20 30 FGEDHN N#CCCN(CC1CC1)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511148104 503268803 /nfs/dbraw/zinc/26/88/03/503268803.db2.gz WEJRYHOXZWHJND-SFHVURJKSA-N 0 3 361.436 3.296 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCC[C@@H]1CCO ZINC000502856140 503290439 /nfs/dbraw/zinc/29/04/39/503290439.db2.gz OOYDQLHCHBMTHR-BZUAXINKSA-N 0 3 361.511 3.018 20 30 FGEDHN CO[C@@H]1[C@H]2C[C@H]3CN(CC#Cc4ccc(OC(F)(F)F)cc4)[C@H]1[C@H]3C2 ZINC000511657164 503363952 /nfs/dbraw/zinc/36/39/52/503363952.db2.gz QFBKMAPQWXCOGE-YECZKDOJSA-N 0 3 351.368 3.292 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000588884513 506367088 /nfs/dbraw/zinc/36/70/88/506367088.db2.gz ABEDNTRYNVIUBE-IAGOWNOFSA-N 0 3 350.466 3.439 20 30 FGEDHN CNC(=O)[C@H](CN[C@H](C)c1cccc(C#N)c1)Cc1ccc(F)cc1C ZINC000515647797 503379412 /nfs/dbraw/zinc/37/94/12/503379412.db2.gz CRJGBMGGSMTKMX-BEFAXECRSA-N 0 3 353.441 3.261 20 30 FGEDHN CCCN(CC)C(=O)c1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511743109 503379413 /nfs/dbraw/zinc/37/94/13/503379413.db2.gz RNKGRNVEUHQZHR-GOSISDBHSA-N 0 3 364.449 3.456 20 30 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N#Cc1ccc(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)s1 ZINC000560769478 505182434 /nfs/dbraw/zinc/18/24/34/505182434.db2.gz ZVSGBUKGGIZGEK-HXUWFJFHSA-N 0 3 351.475 3.358 20 30 FGEDHN CC(C)OCCN1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000557631749 505187806 /nfs/dbraw/zinc/18/78/06/505187806.db2.gz YMXSEKSCWWJWOX-UHFFFAOYSA-N 0 3 361.877 3.161 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000557653800 505194894 /nfs/dbraw/zinc/19/48/94/505194894.db2.gz VMBSNTPYXYKNEO-NLWGTHIKSA-N 0 3 371.525 3.017 20 30 FGEDHN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C(C)C#N)C1 ZINC000557676772 505200563 /nfs/dbraw/zinc/20/05/63/505200563.db2.gz MFVDKBAFPDKVJO-ZFWWWQNUSA-N 0 3 364.287 3.311 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000560972361 505219610 /nfs/dbraw/zinc/21/96/10/505219610.db2.gz ITWUZCXNIXUEGK-KSSFIOAISA-N 0 3 358.438 3.264 20 30 FGEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000561245946 505292711 /nfs/dbraw/zinc/29/27/11/505292711.db2.gz NWKYHJADELRYQE-MISYRCLQSA-N 0 3 352.482 3.061 20 30 FGEDHN COc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)ccc1C#N ZINC000554982494 505319575 /nfs/dbraw/zinc/31/95/75/505319575.db2.gz SWDMXXDTGFPYAC-UHFFFAOYSA-N 0 3 372.432 3.029 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)CC1 ZINC000561568894 505380574 /nfs/dbraw/zinc/38/05/74/505380574.db2.gz LQLGYJSIZITJON-UHFFFAOYSA-N 0 3 367.440 3.072 20 30 FGEDHN N#CC1CCC(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000567212264 505396041 /nfs/dbraw/zinc/39/60/41/505396041.db2.gz DERJMXQXDFWVMS-QLOJAFMTSA-N 0 3 354.498 3.280 20 30 FGEDHN COc1cc(CNCc2ccc(OCc3noc(C)n3)cc2)ccc1C#N ZINC000564418235 505414147 /nfs/dbraw/zinc/41/41/47/505414147.db2.gz DYVCFAJOPLXSRM-UHFFFAOYSA-N 0 3 364.405 3.127 20 30 FGEDHN CCC[C@]1(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCOC1 ZINC000552155613 505417005 /nfs/dbraw/zinc/41/70/05/505417005.db2.gz WFDSDWBXMPKXRA-IBGZPJMESA-N 0 3 361.511 3.376 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000561976934 505483256 /nfs/dbraw/zinc/48/32/56/505483256.db2.gz YUNOIIWSGMVIHE-UHFFFAOYSA-N 0 3 361.493 3.202 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNc1nn2c(C)nnc2c2ccccc21)C(C)C ZINC000555898059 505536348 /nfs/dbraw/zinc/53/63/48/505536348.db2.gz DOOQAPWRLFVXGY-IBGZPJMESA-N 0 3 364.497 3.118 20 30 FGEDHN COc1cccc([C@H](CNC(=O)NCC(C)(C)CCC#N)N2CCCC2)c1 ZINC000562203403 505539414 /nfs/dbraw/zinc/53/94/14/505539414.db2.gz AAXUTSFBFKGRMT-IBGZPJMESA-N 0 3 372.513 3.461 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000567710605 505545110 /nfs/dbraw/zinc/54/51/10/505545110.db2.gz NRUKCLOFQUPZBX-JXFKEZNVSA-N 0 3 370.424 3.135 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000567710606 505545249 /nfs/dbraw/zinc/54/52/49/505545249.db2.gz NRUKCLOFQUPZBX-OXJNMPFZSA-N 0 3 370.424 3.135 20 30 FGEDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000593096012 506391752 /nfs/dbraw/zinc/39/17/52/506391752.db2.gz POQKWRLWWVPMQU-QGZVFWFLSA-N 0 3 371.481 3.473 20 30 FGEDHN Cc1ccc([C@H]2CSCCN2C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599294743 506401213 /nfs/dbraw/zinc/40/12/13/506401213.db2.gz NADZWBWANMLZOG-RBUKOAKNSA-N 0 3 360.523 3.156 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000608070637 506406283 /nfs/dbraw/zinc/40/62/83/506406283.db2.gz FLVKSTKDTUUFMT-BAGYTPMASA-N 0 3 362.473 3.498 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC[C@H](c3nc4ccccc4o3)C2)CCOCC1 ZINC000599313139 506409536 /nfs/dbraw/zinc/40/95/36/506409536.db2.gz FWKHMBQHUZFGBD-IRXDYDNUSA-N 0 3 369.465 3.079 20 30 FGEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)COc1ccccc1C#N ZINC000599348386 506423257 /nfs/dbraw/zinc/42/32/57/506423257.db2.gz KAPQWXPBBJEFKY-AEFFLSMTSA-N 0 3 354.450 3.436 20 30 FGEDHN COc1ccc([C@H](NC[C@H](O)COc2ccccc2C#N)C2CC2)cc1 ZINC000599354891 506426323 /nfs/dbraw/zinc/42/63/23/506426323.db2.gz SIFUJVNPRCDQOW-GHTZIAJQSA-N 0 3 352.434 3.047 20 30 FGEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc2ncsc2c1 ZINC000599380131 506434795 /nfs/dbraw/zinc/43/47/95/506434795.db2.gz BSMURDRRDGZYPF-XJKSGUPXSA-N 0 3 353.447 3.258 20 30 FGEDHN C[C@@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)CCc2ccc(Cl)cc21 ZINC000599451345 506461014 /nfs/dbraw/zinc/46/10/14/506461014.db2.gz WUFJWAGRDGTCEH-QAPCUYQASA-N 0 3 362.901 3.373 20 30 FGEDHN N#Cc1ccc(Cn2cc(CNC3CCCCC3)nn2)c(OC(F)F)c1 ZINC000603236061 506464519 /nfs/dbraw/zinc/46/45/19/506464519.db2.gz MNJXJVLJOTVQBH-UHFFFAOYSA-N 0 3 361.396 3.222 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@](C)(C#N)C2)N(C)C)cc1 ZINC000596600159 506482704 /nfs/dbraw/zinc/48/27/04/506482704.db2.gz BIPATNJGVGRSGY-AZUAARDMSA-N 0 3 358.486 3.022 20 30 FGEDHN CC[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)N1CCc2ccccc2C1 ZINC000593304296 506526839 /nfs/dbraw/zinc/52/68/39/506526839.db2.gz BAGNRFSIQGJMSI-OAQYLSRUSA-N 0 3 374.488 3.420 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)Nc3cccc(C#N)n3)c(C)c2)CC1 ZINC000583023313 506547079 /nfs/dbraw/zinc/54/70/79/506547079.db2.gz IQEMUMXEDQXVNX-UHFFFAOYSA-N 0 3 364.453 3.048 20 30 FGEDHN COc1ccc([C@H](NCCC(=O)Nc2ccccc2C#N)C2CC2)cn1 ZINC000599699859 506589040 /nfs/dbraw/zinc/58/90/40/506589040.db2.gz MWAYRYMXMIQRPH-HXUWFJFHSA-N 0 3 350.422 3.031 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1(C#N)CCCCC1 ZINC000596863816 506643182 /nfs/dbraw/zinc/64/31/82/506643182.db2.gz OYPDYIGDBXGVGJ-UHFFFAOYSA-N 0 3 360.477 3.373 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1(C#N)CCCCC1 ZINC000596864248 506643378 /nfs/dbraw/zinc/64/33/78/506643378.db2.gz ZWYHJHYEJCLVKL-UHFFFAOYSA-N 0 3 360.477 3.373 20 30 FGEDHN CCN(C(=O)CC1(C#N)CCOCC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000596886439 506657731 /nfs/dbraw/zinc/65/77/31/506657731.db2.gz IXJRTSMMBZZXNJ-AZUAARDMSA-N 0 3 369.509 3.381 20 30 FGEDHN CCN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCN(CC)C1 ZINC000596903391 506666993 /nfs/dbraw/zinc/66/69/93/506666993.db2.gz GWUORXOFBINHNJ-AWEZNQCLSA-N 0 3 365.275 3.269 20 30 FGEDHN CCOC(=O)C[C@@H](NC(=O)C(C#N)CC)c1cccc(Br)c1 ZINC000593599179 506697898 /nfs/dbraw/zinc/69/78/98/506697898.db2.gz TYVPMMVGDGXRRW-BXUZGUMPSA-N 0 3 367.243 3.109 20 30 FGEDHN Cc1csc([C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000596972557 506705212 /nfs/dbraw/zinc/70/52/12/506705212.db2.gz ADQWYMHUHWPFKF-OAHLLOKOSA-N 0 3 356.495 3.017 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000593693007 506734870 /nfs/dbraw/zinc/73/48/70/506734870.db2.gz LOUQRQORTSFOMH-UHFFFAOYSA-N 0 3 356.451 3.282 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](c3ccccc3)C2)cc1 ZINC000590118865 506740053 /nfs/dbraw/zinc/74/00/53/506740053.db2.gz SKUJEQLGPCIUQI-LEWJYISDSA-N 0 3 350.462 3.372 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCCCC1 ZINC000593766448 506767620 /nfs/dbraw/zinc/76/76/20/506767620.db2.gz JOAJXOQCFKNLRG-UHFFFAOYSA-N 0 3 364.497 3.315 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000609162757 506798893 /nfs/dbraw/zinc/79/88/93/506798893.db2.gz SFDRPYGKUSWGOF-HXUWFJFHSA-N 0 3 357.498 3.044 20 30 FGEDHN CCOc1ccc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604468274 506839351 /nfs/dbraw/zinc/83/93/51/506839351.db2.gz AZBWDKPXHVAFON-LJQANCHMSA-N 0 3 354.450 3.023 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1OCc2ccccc21 ZINC000593961324 506852681 /nfs/dbraw/zinc/85/26/81/506852681.db2.gz GTLODANKOFUJQE-OAQYLSRUSA-N 0 3 363.461 3.110 20 30 FGEDHN CN1CC[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000583568024 506853890 /nfs/dbraw/zinc/85/38/90/506853890.db2.gz UJOHJVWJUFVVAW-PKOBYXMFSA-N 0 3 372.375 3.280 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000593974634 506860639 /nfs/dbraw/zinc/86/06/39/506860639.db2.gz WAHGJSXZSNMYKX-GOSISDBHSA-N 0 3 374.488 3.199 20 30 FGEDHN CCC(C)(C)N1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000594020710 506887676 /nfs/dbraw/zinc/88/76/76/506887676.db2.gz LRUQGVSMJPINIL-UHFFFAOYSA-N 0 3 370.541 3.356 20 30 FGEDHN C[C@@H](CC#N)C(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000597319292 506894884 /nfs/dbraw/zinc/89/48/84/506894884.db2.gz GSEIAOHYILBREA-DOTOQJQBSA-N 0 3 367.415 3.449 20 30 FGEDHN N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](N4CCCC4)C3)cc2)nc1 ZINC000609517299 506906645 /nfs/dbraw/zinc/90/66/45/506906645.db2.gz BRTSYQIUYXQZPG-SFHVURJKSA-N 0 3 362.433 3.056 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000597371694 506918057 /nfs/dbraw/zinc/91/80/57/506918057.db2.gz JUJMQDGLTMECPK-CJNGLKHVSA-N 0 3 355.388 3.229 20 30 FGEDHN N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(c2ccncc2)CC1 ZINC000609570953 506926893 /nfs/dbraw/zinc/92/68/93/506926893.db2.gz YGJZBJWUKUBHJT-UHFFFAOYSA-N 0 3 351.360 3.106 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000583797972 506979203 /nfs/dbraw/zinc/97/92/03/506979203.db2.gz PKSNEYWVHHNXPI-KCLUMXDGSA-N 0 3 366.509 3.232 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc(N2CCOCC2)c(F)c1 ZINC000613242584 506990880 /nfs/dbraw/zinc/99/08/80/506990880.db2.gz IDXPKJFLMGIZGA-FQEVSTJZSA-N 0 3 366.440 3.096 20 30 FGEDHN C[C@@](CO)(NCCOc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000609799886 507005569 /nfs/dbraw/zinc/00/55/69/507005569.db2.gz QSQGVXXIXIFDPR-SFHVURJKSA-N 0 3 364.367 3.453 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNC[C@@H](O)C2CCOCC2)c1 ZINC000609919233 507050928 /nfs/dbraw/zinc/05/09/28/507050928.db2.gz RLFUOHNCMZMGHQ-JOCHJYFZSA-N 0 3 366.461 3.014 20 30 FGEDHN COc1cccc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000590978817 507068796 /nfs/dbraw/zinc/06/87/96/507068796.db2.gz GEVNYBYQYFIWBC-WIYYLYMNSA-N 0 3 352.434 3.144 20 30 FGEDHN C[C@](CO)(NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000591014014 507079264 /nfs/dbraw/zinc/07/92/64/507079264.db2.gz OHUMOTKVSGJSHP-LJQANCHMSA-N 0 3 357.841 3.038 20 30 FGEDHN CCOc1ccc(Oc2cc(CNC[C@H](O)CC3(C#N)CC3)ccn2)cc1 ZINC000600721699 507081861 /nfs/dbraw/zinc/08/18/61/507081861.db2.gz WJPYBZQHRXLDFK-QGZVFWFLSA-N 0 3 367.449 3.417 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000610051203 507082690 /nfs/dbraw/zinc/08/26/90/507082690.db2.gz JATGULOETYFXCO-GOSISDBHSA-N 0 3 363.461 3.455 20 30 FGEDHN CC(C)(C)OCc1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1 ZINC000600725722 507085762 /nfs/dbraw/zinc/08/57/62/507085762.db2.gz YNVJOWLXTUWEMB-HXUWFJFHSA-N 0 3 368.477 3.403 20 30 FGEDHN CC[C@H]1Cc2ccccc2CN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613497415 507119359 /nfs/dbraw/zinc/11/93/59/507119359.db2.gz IQFWNCPTTHRTEB-SFTDATJTSA-N 0 3 350.462 3.329 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000594428731 507127189 /nfs/dbraw/zinc/12/71/89/507127189.db2.gz PABIIKAOOXRQHM-CABCVRRESA-N 0 3 365.861 3.248 20 30 FGEDHN COc1ccccc1[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594434964 507130984 /nfs/dbraw/zinc/13/09/84/507130984.db2.gz XQPYNXZFJAZTQF-AZUAARDMSA-N 0 3 351.450 3.312 20 30 FGEDHN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc2)n1 ZINC000594440038 507133048 /nfs/dbraw/zinc/13/30/48/507133048.db2.gz YPKWTQXYAWNZLW-LPHOPBHVSA-N 0 3 353.470 3.078 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000594441047 507134888 /nfs/dbraw/zinc/13/48/88/507134888.db2.gz LPHFZICEHICWDF-SFHVURJKSA-N 0 3 351.454 3.236 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000594443722 507135895 /nfs/dbraw/zinc/13/58/95/507135895.db2.gz SMNSUVUEZQXZEE-JKSUJKDBSA-N 0 3 369.387 3.017 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000594447903 507138566 /nfs/dbraw/zinc/13/85/66/507138566.db2.gz XFYMZXGWUYQXCQ-HZPDHXFCSA-N 0 3 351.903 3.368 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1cc(Cl)ccc1Br ZINC000594450342 507139629 /nfs/dbraw/zinc/13/96/29/507139629.db2.gz YTURONMFKRDVPU-ZDUSSCGKSA-N 0 3 358.667 3.130 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000594457334 507142779 /nfs/dbraw/zinc/14/27/79/507142779.db2.gz YIHFQMLWIMKGMY-HNNXBMFYSA-N 0 3 371.378 3.404 20 30 FGEDHN CC(C)(C#N)c1ccc(CNCc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000594503357 507159867 /nfs/dbraw/zinc/15/98/67/507159867.db2.gz WFQPOUCRFQYPFX-UHFFFAOYSA-N 0 3 356.491 3.322 20 30 FGEDHN CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H]1CCN(C)C1 ZINC000597947265 507194215 /nfs/dbraw/zinc/19/42/15/507194215.db2.gz WWZDWNQHNCHZML-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@H](OC3CCC3)C2)c(-c2ccncc2)n1 ZINC000594614733 507212538 /nfs/dbraw/zinc/21/25/38/507212538.db2.gz ZGZDWWILKMWZQW-FQEVSTJZSA-N 0 3 365.481 3.392 20 30 FGEDHN Cc1ccc(CCCNCCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000610497375 507264162 /nfs/dbraw/zinc/26/41/62/507264162.db2.gz JCKOHFIODLENTB-UHFFFAOYSA-N 0 3 356.491 3.171 20 30 FGEDHN N#CC1(c2ccc(CNCCCS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000594928336 507317673 /nfs/dbraw/zinc/31/76/73/507317673.db2.gz VTXZRIDTFCAANO-UHFFFAOYSA-N 0 3 368.502 3.336 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000598232507 507334143 /nfs/dbraw/zinc/33/41/43/507334143.db2.gz YLZOYFVNCLCBSC-ICSRJNTNSA-N 0 3 352.409 3.498 20 30 FGEDHN COc1cc(CNC[C@@](C)(COCc2ccccc2)OC)ccc1C#N ZINC000594974957 507338631 /nfs/dbraw/zinc/33/86/31/507338631.db2.gz OTBRYRONJYUBIF-NRFANRHFSA-N 0 3 354.450 3.278 20 30 FGEDHN CN1CCN(Cc2ccccc2)[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594996784 507346575 /nfs/dbraw/zinc/34/65/75/507346575.db2.gz ZPBPTTCLFRHXOW-HSZRJFAPSA-N 0 3 374.532 3.148 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000591749614 507346864 /nfs/dbraw/zinc/34/68/64/507346864.db2.gz BSFQLZUUTKSGHT-GOEBONIOSA-N 0 3 374.428 3.290 20 30 FGEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000591759677 507350368 /nfs/dbraw/zinc/35/03/68/507350368.db2.gz TVBKRLGTUXTJTD-HRAATJIYSA-N 0 3 360.461 3.213 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)COCc1ccccc1Cl ZINC000591763872 507352789 /nfs/dbraw/zinc/35/27/89/507352789.db2.gz OVDFJBBYFSXEPV-PXNSSMCTSA-N 0 3 356.853 3.366 20 30 FGEDHN CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614177516 507396758 /nfs/dbraw/zinc/39/67/58/507396758.db2.gz PZXAEAVXYVQVEO-UHFFFAOYSA-N 0 3 361.445 3.216 20 30 FGEDHN CC(C)c1ccc([C@H](N)CNC(=O)NCCc2ccc(C#N)cc2)cc1 ZINC000595267480 507443978 /nfs/dbraw/zinc/44/39/78/507443978.db2.gz LWDTYSORQWRJEN-HXUWFJFHSA-N 0 3 350.466 3.223 20 30 FGEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000584690100 507451002 /nfs/dbraw/zinc/45/10/02/507451002.db2.gz UUQQSUQRFZABPQ-PDIWNELESA-N 0 3 361.489 3.425 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000610967418 507458002 /nfs/dbraw/zinc/45/80/02/507458002.db2.gz QMTWDVYOVALCCD-FPOVZHCZSA-N 0 3 352.434 3.035 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](CC(F)(F)F)O1 ZINC000598506320 507464040 /nfs/dbraw/zinc/46/40/40/507464040.db2.gz DYDXUDFCMCBVEJ-KBMXLJTQSA-N 0 3 354.372 3.327 20 30 FGEDHN N#Cc1ccc(CCNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000595420453 507490135 /nfs/dbraw/zinc/49/01/35/507490135.db2.gz FVKJLSAHMOEURD-UHFFFAOYSA-N 0 3 362.477 3.065 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595450019 507503558 /nfs/dbraw/zinc/50/35/58/507503558.db2.gz SRVPMIJAAKELKV-NHCUHLMSSA-N 0 3 369.896 3.473 20 30 FGEDHN COc1ccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cc1Br ZINC000598600046 507512010 /nfs/dbraw/zinc/51/20/10/507512010.db2.gz MGBIKYXNNIYOGQ-DGCLKSJQSA-N 0 3 355.276 3.409 20 30 FGEDHN C=C(C)[C@H](CC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1)OCC ZINC000614442539 507514902 /nfs/dbraw/zinc/51/49/02/507514902.db2.gz GWERXJDLUIIACM-MOPGFXCFSA-N 0 3 368.562 3.078 20 30 FGEDHN C=C(C)[C@H](CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1)OCC ZINC000614442540 507515453 /nfs/dbraw/zinc/51/54/53/507515453.db2.gz GWERXJDLUIIACM-OALUTQOASA-N 0 3 368.562 3.078 20 30 FGEDHN CC(C)(C)OC(=O)C1(C)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000592158850 507516230 /nfs/dbraw/zinc/51/62/30/507516230.db2.gz KSOVLTISIXKTCD-UHFFFAOYSA-N 0 3 371.481 3.331 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000595480376 507521259 /nfs/dbraw/zinc/52/12/59/507521259.db2.gz WALLWPMIGXIYTH-QGZVFWFLSA-N 0 3 360.527 3.295 20 30 FGEDHN CC(C)CNC(=O)CCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595484878 507525005 /nfs/dbraw/zinc/52/50/05/507525005.db2.gz SSFRILDHIIYWTP-UHFFFAOYSA-N 0 3 361.461 3.093 20 30 FGEDHN C[C@](O)(C[C@@H](O)CNCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000601964167 507532312 /nfs/dbraw/zinc/53/23/12/507532312.db2.gz HEJGPYSREFYQPK-IRLDBZIGSA-N 0 3 350.462 3.227 20 30 FGEDHN CCOc1cncc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000598650085 507532576 /nfs/dbraw/zinc/53/25/76/507532576.db2.gz LWXCRWHRFQBFAK-UHFFFAOYSA-N 0 3 350.466 3.106 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](CNCc3cccc(F)c3C#N)C2)c1 ZINC000602011608 507553352 /nfs/dbraw/zinc/55/33/52/507553352.db2.gz IIJLNZMJWROOSJ-OAHLLOKOSA-N 0 3 369.440 3.331 20 30 FGEDHN N#CC(C(=O)c1cccc(OCC(F)(F)F)n1)c1nc2ccccc2[nH]1 ZINC000607009025 507583206 /nfs/dbraw/zinc/58/32/06/507583206.db2.gz JFWAUVWMPGNZAV-JTQLQIEISA-N 0 3 360.295 3.389 20 30 FGEDHN COc1ccc([C@@H](CNc2cc(C#N)cc(C)n2)N2CCCCC2)cc1 ZINC000585702315 507597949 /nfs/dbraw/zinc/59/79/49/507597949.db2.gz CZJPMKGMGIEFRI-HXUWFJFHSA-N 0 3 350.466 3.331 20 30 FGEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595633289 507603392 /nfs/dbraw/zinc/60/33/92/507603392.db2.gz OUHXSHVKDSKLDF-YSVLISHTSA-N 0 3 356.388 3.233 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CCOCC2)CC1 ZINC000585755982 507617166 /nfs/dbraw/zinc/61/71/66/507617166.db2.gz VEFCBNBWRSEQTO-WBTXTPOCSA-N 0 3 361.530 3.198 20 30 FGEDHN CN(C)Cc1cccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000602188064 507621502 /nfs/dbraw/zinc/62/15/02/507621502.db2.gz YFTSOFKVAMCYSJ-UHFFFAOYSA-N 0 3 362.477 3.337 20 30 FGEDHN CCN(CC)CCN(C(=O)[C@@H](C)CC#N)c1ccc(Br)cn1 ZINC000598830215 507625098 /nfs/dbraw/zinc/62/50/98/507625098.db2.gz CFGHWTZNDRVPGV-ZDUSSCGKSA-N 0 3 367.291 3.069 20 30 FGEDHN CC1(C)c2ccccc2CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611352018 507638013 /nfs/dbraw/zinc/63/80/13/507638013.db2.gz LYHMZEJSZDBRLV-LJQANCHMSA-N 0 3 350.462 3.286 20 30 FGEDHN CCC[C@H](C#N)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000602295447 507658447 /nfs/dbraw/zinc/65/84/47/507658447.db2.gz DHGIYGLZSRDMPA-KZNAEPCWSA-N 0 3 368.506 3.167 20 30 FGEDHN CS(=O)(=O)c1ccc(OCCN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611392508 507659673 /nfs/dbraw/zinc/65/96/73/507659673.db2.gz YWLNZMFTUMKWGE-FQEVSTJZSA-N 0 3 370.474 3.008 20 30 FGEDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395082 507660709 /nfs/dbraw/zinc/66/07/09/507660709.db2.gz KANISJPFDDSANX-YCRPNKLZSA-N 0 3 358.445 3.324 20 30 FGEDHN COc1ccccc1N1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611394616 507661067 /nfs/dbraw/zinc/66/10/67/507661067.db2.gz SWZPTALKPXUCLB-RTBURBONSA-N 0 3 361.445 3.339 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000592466689 507668481 /nfs/dbraw/zinc/66/84/81/507668481.db2.gz KZHXQZLPQVUUSZ-UHFFFAOYSA-N 0 3 355.404 3.198 20 30 FGEDHN N#Cc1ccc(CN(CCN2CCOCC2)CC2CC2)c(C(F)(F)F)c1 ZINC000595807510 507695427 /nfs/dbraw/zinc/69/54/27/507695427.db2.gz JTOOCDQNSRBIJH-UHFFFAOYSA-N 0 3 367.415 3.121 20 30 FGEDHN Cc1ccccc1CN1CCCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000587185624 507706743 /nfs/dbraw/zinc/70/67/43/507706743.db2.gz RYXVJELUJYXFGH-UHFFFAOYSA-N 0 3 365.437 3.069 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](C[C@H]4CCOC4)C3)C2=O)cc1 ZINC000611517025 507717185 /nfs/dbraw/zinc/71/71/85/507717185.db2.gz GDXXPFYHJYNBAY-ZVDOUQERSA-N 0 3 367.493 3.192 20 30 FGEDHN COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1OC(F)F ZINC000602511943 507731372 /nfs/dbraw/zinc/73/13/72/507731372.db2.gz WIEPMNKAZZUAJN-ZDUSSCGKSA-N 0 3 354.397 3.485 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000595937893 507750026 /nfs/dbraw/zinc/75/00/26/507750026.db2.gz KAPUPBKVGUOXMP-OAHLLOKOSA-N 0 3 369.296 3.053 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)CC1 ZINC000607645938 507783217 /nfs/dbraw/zinc/78/32/17/507783217.db2.gz QKPFWJLPQIHNTF-UHFFFAOYSA-N 0 3 371.525 3.185 20 30 FGEDHN CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736557855 598812892 /nfs/dbraw/zinc/81/28/92/598812892.db2.gz CKGDJKZZSNTSOQ-HNNXBMFYSA-N 0 3 362.437 3.352 20 30 FGEDHN CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736557855 598812894 /nfs/dbraw/zinc/81/28/94/598812894.db2.gz CKGDJKZZSNTSOQ-HNNXBMFYSA-N 0 3 362.437 3.352 20 30 FGEDHN CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557855 598812896 /nfs/dbraw/zinc/81/28/96/598812896.db2.gz CKGDJKZZSNTSOQ-HNNXBMFYSA-N 0 3 362.437 3.352 20 30 FGEDHN CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557855 598812897 /nfs/dbraw/zinc/81/28/97/598812897.db2.gz CKGDJKZZSNTSOQ-HNNXBMFYSA-N 0 3 362.437 3.352 20 30 FGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000819745688 599566176 /nfs/dbraw/zinc/56/61/76/599566176.db2.gz PPAQCHCQAZONNF-FQEVSTJZSA-N 0 3 363.465 3.205 20 30 FGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000819745688 599566178 /nfs/dbraw/zinc/56/61/78/599566178.db2.gz PPAQCHCQAZONNF-FQEVSTJZSA-N 0 3 363.465 3.205 20 30 FGEDHN C=CC[N@@H+](CCc1ccc(F)c(F)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744140 607173389 /nfs/dbraw/zinc/17/33/89/607173389.db2.gz XSZDEZZYEGAJQH-UHFFFAOYSA-N 0 3 355.392 3.376 20 30 FGEDHN C=CC[N@H+](CCc1ccc(F)c(F)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744140 607173390 /nfs/dbraw/zinc/17/33/90/607173390.db2.gz XSZDEZZYEGAJQH-UHFFFAOYSA-N 0 3 355.392 3.376 20 30 FGEDHN C=CC[N@@H+](CCc1ccc(F)c(F)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819744140 607173391 /nfs/dbraw/zinc/17/33/91/607173391.db2.gz XSZDEZZYEGAJQH-UHFFFAOYSA-N 0 3 355.392 3.376 20 30 FGEDHN C=CC[N@H+](CCc1ccc(F)c(F)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819744140 607173392 /nfs/dbraw/zinc/17/33/92/607173392.db2.gz XSZDEZZYEGAJQH-UHFFFAOYSA-N 0 3 355.392 3.376 20 30 FGEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000111945282 700551747 /nfs/dbraw/zinc/55/17/47/700551747.db2.gz SEZGLDVONWDOJL-STQMWFEESA-N 0 3 352.793 3.476 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H](C)OCC1CC1 ZINC000120257787 700651442 /nfs/dbraw/zinc/65/14/42/700651442.db2.gz ZOSVXCUPZBBKNQ-DGCLKSJQSA-N 0 3 364.829 3.120 20 30 FGEDHN N#CC(C(=O)Cn1ccc2ccc(Cl)cc21)C(=O)NC1CCCCC1 ZINC000121272558 700669051 /nfs/dbraw/zinc/66/90/51/700669051.db2.gz IVMONXCCGSJBRC-INIZCTEOSA-N 0 3 357.841 3.452 20 30 FGEDHN N#CC(C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000124666014 700723048 /nfs/dbraw/zinc/72/30/48/700723048.db2.gz RFRJGOFLPGUWDR-CYBMUJFWSA-N 0 3 369.248 3.484 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)c1ccsc1 ZINC000152563623 704966067 /nfs/dbraw/zinc/96/60/67/704966067.db2.gz OSHZEEINMYRPET-HNNXBMFYSA-N 0 3 366.280 3.346 20 30 FGEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000156090736 705100741 /nfs/dbraw/zinc/10/07/41/705100741.db2.gz NRZBHCWHLMKVTO-QMMMGPOBSA-N 0 3 368.739 3.422 20 30 FGEDHN N#CC(C(=O)CCc1cc(Cl)ccc1Br)C(=O)NC1CC1 ZINC000176019468 705568270 /nfs/dbraw/zinc/56/82/70/705568270.db2.gz CNQQNGUTRRDNJH-LBPRGKRZSA-N 0 3 369.646 3.023 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCS[C@@H]2COCC[C@H]21 ZINC000247261734 713638346 /nfs/dbraw/zinc/63/83/46/713638346.db2.gz RQTATHMOPXDUIF-IAGOWNOFSA-N 0 3 361.536 3.478 20 30 FGEDHN COC[C@]1(CNCc2ccc(C#N)s2)CCCN1C(=O)OC(C)(C)C ZINC000310708272 713800805 /nfs/dbraw/zinc/80/08/05/713800805.db2.gz ZQEHMDRWPMTCLP-GOSISDBHSA-N 0 3 365.499 3.125 20 30 FGEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C)C1 ZINC000525386659 714348598 /nfs/dbraw/zinc/34/85/98/714348598.db2.gz BILHWIHLBCZPNH-INIZCTEOSA-N 0 3 363.527 3.046 20 30 FGEDHN Cn1cc(CNC2(c3cccc(Br)c3)CCOCC2)cc1C#N ZINC000573537245 714452040 /nfs/dbraw/zinc/45/20/40/714452040.db2.gz QARFPTYSTPFTIQ-UHFFFAOYSA-N 0 3 374.282 3.455 20 30 FGEDHN CN(C)[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000619770297 714869878 /nfs/dbraw/zinc/86/98/78/714869878.db2.gz OXNBXMZZTDMJNY-GOSISDBHSA-N 0 3 356.857 3.314 20 30 FGEDHN CN(C)C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000619825475 714873442 /nfs/dbraw/zinc/87/34/42/714873442.db2.gz ONUHEYQMJQBPEH-GOSISDBHSA-N 0 3 356.857 3.043 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000619825594 714873516 /nfs/dbraw/zinc/87/35/16/714873516.db2.gz ULUZMLLDXXTRKX-HNNXBMFYSA-N 0 3 356.495 3.454 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@H](C)CN2CCCC2=O)cc1OC ZINC000623363712 715319173 /nfs/dbraw/zinc/31/91/73/715319173.db2.gz BLWDBMWIDBKUKE-CYBMUJFWSA-N 0 3 352.862 3.014 20 30 FGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CCN(C(=O)CC)C2)cc1OC ZINC000623449647 715338034 /nfs/dbraw/zinc/33/80/34/715338034.db2.gz FTJPVSZLNBZHSM-CQSZACIVSA-N 0 3 352.862 3.014 20 30 FGEDHN CC(C)(C)OCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000802797536 724407855 /nfs/dbraw/zinc/40/78/55/724407855.db2.gz WZGAVXBZUUEGHW-HNNXBMFYSA-N 0 3 350.846 3.260 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCO[C@@H]1C ZINC000631013514 716546539 /nfs/dbraw/zinc/54/65/39/716546539.db2.gz XAMORTNGFRPZQP-HZPDHXFCSA-N 0 3 350.532 3.010 20 30 FGEDHN C=CCCn1cc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)nn1 ZINC000657296156 719621016 /nfs/dbraw/zinc/62/10/16/719621016.db2.gz BFERODYTYUNUQU-UHFFFAOYSA-N 0 3 359.905 3.262 20 30 FGEDHN C=CCC1(NCc2cc(O)c(OC)cc2Br)CCOCC1 ZINC000668552103 721308734 /nfs/dbraw/zinc/30/87/34/721308734.db2.gz DMHTWIVOWOVTLG-UHFFFAOYSA-N 0 3 356.260 3.378 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(OC)c2)CC1 ZINC000684121621 722323084 /nfs/dbraw/zinc/32/30/84/722323084.db2.gz BYXSOHUUIFCIMB-UHFFFAOYSA-N 0 3 357.376 3.486 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CSCCS1)C(=O)Nc1ccccc1Cl ZINC000752478117 722858671 /nfs/dbraw/zinc/85/86/71/722858671.db2.gz YNMBPRPXKGYZPD-MNOVXSKESA-N 0 3 354.884 3.226 20 30 FGEDHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNCc1ccc(C#N)s1 ZINC000756132943 722961162 /nfs/dbraw/zinc/96/11/62/722961162.db2.gz SQKCBELFGSPMSU-WFASDCNBSA-N 0 3 365.499 3.470 20 30 FGEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000756233674 722962011 /nfs/dbraw/zinc/96/20/11/722962011.db2.gz NOCBRZZKQAWAAK-GWCFXTLKSA-N 0 3 356.394 3.321 20 30 FGEDHN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000760197435 723042733 /nfs/dbraw/zinc/04/27/33/723042733.db2.gz YEFVEPQPJOOXHT-LRDDRELGSA-N 0 3 360.841 3.317 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1c(Cl)cccc1OC ZINC000790767982 723175640 /nfs/dbraw/zinc/17/56/40/723175640.db2.gz PGLMYLSXLMGOGK-AWEZNQCLSA-N 0 3 350.846 3.296 20 30 FGEDHN CCCCCCCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764461414 723415324 /nfs/dbraw/zinc/41/53/24/723415324.db2.gz HAADLSREFFIPDP-RBUKOAKNSA-N 0 3 352.567 3.014 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000764762841 723443371 /nfs/dbraw/zinc/44/33/71/723443371.db2.gz UOBMBKSJRKHHSY-GDZNZVCISA-N 0 3 366.389 3.075 20 30 FGEDHN CO[C@]1(C)CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000796499451 723640347 /nfs/dbraw/zinc/64/03/47/723640347.db2.gz BLYNMKPTJQGNKC-AUUYWEPGSA-N 0 3 357.479 3.364 20 30 FGEDHN CCCC[C@@H](NC(=O)NCC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797571881 723836509 /nfs/dbraw/zinc/83/65/09/723836509.db2.gz WMLPPDYVAHAQCI-QWHCGFSZSA-N 0 3 364.515 3.495 20 30 FGEDHN C#C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)C ZINC000799042734 723984177 /nfs/dbraw/zinc/98/41/77/723984177.db2.gz NDHBWBKKWICLFX-WMZOPIPTSA-N 0 3 352.400 3.215 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)CCO1 ZINC000776518041 724154247 /nfs/dbraw/zinc/15/42/47/724154247.db2.gz ULRXSYGXATWCAZ-CKYFFXLPSA-N 0 3 355.221 3.456 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)cc1 ZINC000788592584 725074343 /nfs/dbraw/zinc/07/43/43/725074343.db2.gz QISGAICLABCQOT-UHFFFAOYSA-N 0 3 350.827 3.041 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(CCF)c1 ZINC000808979984 725222014 /nfs/dbraw/zinc/22/20/14/725222014.db2.gz QJVZSNQLIIKZJT-CYBMUJFWSA-N 0 3 369.183 3.121 20 30 FGEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(NS(C)(=O)=O)c1 ZINC000810213758 725297160 /nfs/dbraw/zinc/29/71/60/725297160.db2.gz HGWYSLXGYXYUOQ-YJYMSZOUSA-N 0 3 355.463 3.268 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810529604 725312764 /nfs/dbraw/zinc/31/27/64/725312764.db2.gz KJYXBOQEJPTXPT-RYUDHWBXSA-N 0 3 366.870 3.448 20 30 FGEDHN C=CCCCCCCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000812493739 725398425 /nfs/dbraw/zinc/39/84/25/725398425.db2.gz TULLXWIZWRVXDO-UHFFFAOYSA-N 0 3 351.535 3.267 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Br)c1 ZINC000813061173 726834534 /nfs/dbraw/zinc/83/45/34/726834534.db2.gz TVJCVADAEBARAF-IAQYHMDHSA-N 0 3 363.255 3.320 20 30 FGEDHN COc1ccc(OCC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813217925 726851469 /nfs/dbraw/zinc/85/14/69/726851469.db2.gz QKRCUBNUJWDFIF-CQSZACIVSA-N 0 3 350.296 3.364 20 30 FGEDHN C#CCN(C)CCCNC(=O)[C@H](CC)Cc1cccc(Br)c1 ZINC000818612269 727316789 /nfs/dbraw/zinc/31/67/89/727316789.db2.gz RNJBKBLJSDZJHZ-MRXNPFEDSA-N 0 3 365.315 3.089 20 30 FGEDHN CN(C)C[C@H](NC(=O)Nc1cc(CC#N)ccn1)c1ccc(Cl)cc1 ZINC000871730099 735539378 /nfs/dbraw/zinc/53/93/78/735539378.db2.gz PKGOROFUEWLQHD-INIZCTEOSA-N 0 3 357.845 3.225 20 30 FGEDHN C#CC[C@@H]1CCCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C1 ZINC000829794416 729512425 /nfs/dbraw/zinc/51/24/25/729512425.db2.gz XKDDQCUADTUWGT-MRXNPFEDSA-N 0 3 354.475 3.084 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1sccc1Br ZINC000835055982 729853692 /nfs/dbraw/zinc/85/36/92/729853692.db2.gz CNUWRTYWIMKJPL-SNVBAGLBSA-N 0 3 357.273 3.068 20 30 FGEDHN CC(C)(CCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)[N+](=O)[O-] ZINC000835063930 729854720 /nfs/dbraw/zinc/85/47/20/729854720.db2.gz BPLQUBASWAGQDP-GFCCVEGCSA-N 0 3 372.208 3.476 20 30 FGEDHN CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C(=O)NCc1cccs1 ZINC000842909439 730555580 /nfs/dbraw/zinc/55/55/80/730555580.db2.gz SJPKPBCMQIMGPR-RDTXWAMCSA-N 0 3 357.479 3.396 20 30 FGEDHN CC[C@@H]1COC(C)(C)CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000844388121 730711300 /nfs/dbraw/zinc/71/13/00/730711300.db2.gz WUDZUECXGOVPSQ-ZIAGYGMSSA-N 0 3 357.479 3.362 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000850758640 731385808 /nfs/dbraw/zinc/38/58/08/731385808.db2.gz BXYTWEMAKPBROZ-FRRDWIJNSA-N 0 3 364.829 3.120 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000858403917 732211411 /nfs/dbraw/zinc/21/14/11/732211411.db2.gz LAKCVENZGFGKJV-DLBZAZTESA-N 0 3 357.516 3.419 20 30 FGEDHN C#CC[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000862445399 732837964 /nfs/dbraw/zinc/83/79/64/732837964.db2.gz SFJPRYXCZPCQMV-OAHLLOKOSA-N 0 3 363.299 3.131 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC000876621701 736122702 /nfs/dbraw/zinc/12/27/02/736122702.db2.gz FZJRPNZMHNDPPF-HOCLYGCPSA-N 0 3 363.889 3.418 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000876697809 736133366 /nfs/dbraw/zinc/13/33/66/736133366.db2.gz JJNVUUGSBCEDRC-CVEARBPZSA-N 0 3 364.898 3.280 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000876891021 736158615 /nfs/dbraw/zinc/15/86/15/736158615.db2.gz OIYBXWQBGRPOJI-NXEZZACHSA-N 0 3 367.824 3.338 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000876934429 736164626 /nfs/dbraw/zinc/16/46/26/736164626.db2.gz HCKZBRYQSUKHJH-GFCCVEGCSA-N 0 3 373.678 3.033 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000876941040 736165793 /nfs/dbraw/zinc/16/57/93/736165793.db2.gz FZTJXUSDBJHFTR-UKRRQHHQSA-N 0 3 357.281 3.427 20 30 FGEDHN C#CCC1(O)CCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000880483370 737179631 /nfs/dbraw/zinc/17/96/31/737179631.db2.gz AJEFUXBGXOSMQQ-UHFFFAOYSA-N 0 3 364.283 3.262 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000880930389 737262453 /nfs/dbraw/zinc/26/24/53/737262453.db2.gz VUFJHEHBHSRQOX-OAHLLOKOSA-N 0 3 356.392 3.143 20 30 FGEDHN Cc1ccc(-c2csc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)n2)s1 ZINC000884057529 737629334 /nfs/dbraw/zinc/62/93/34/737629334.db2.gz JIHWAFVZCACHGU-VMBJYNEYSA-N 0 3 358.492 3.258 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1C(F)(F)F ZINC000884101845 737633441 /nfs/dbraw/zinc/63/34/41/737633441.db2.gz JVJUPRQDAVNYSA-BBYOUEMTSA-N 0 3 351.372 3.022 20 30 FGEDHN CCC[C@H]1CCc2nc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)sc2C1 ZINC000884114399 737634512 /nfs/dbraw/zinc/63/45/12/737634512.db2.gz PYEFTSOSRJBNFJ-PNBPBRNGSA-N 0 3 358.511 3.126 20 30 FGEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cccc(Cl)c1Cl ZINC000884144242 737637481 /nfs/dbraw/zinc/63/74/81/737637481.db2.gz FJMUPCIKJBXNOL-ZQGKVTOOSA-N 0 3 352.265 3.310 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)C2 ZINC000884151489 737637966 /nfs/dbraw/zinc/63/79/66/737637966.db2.gz NVTLUVPSMKLEGU-ZWLBXZKKSA-N 0 3 371.790 3.199 20 30 FGEDHN C#CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)C1CCN(C)CC1 ZINC000886587449 739273027 /nfs/dbraw/zinc/27/30/27/739273027.db2.gz WZCBOBOUNQOXEH-UHFFFAOYSA-N 0 3 357.454 3.119 20 30 FGEDHN C[C@@]1(CNC(=O)C2(C#N)CCSCC2)CCCN1Cc1ccccc1 ZINC000935493202 761884608 /nfs/dbraw/zinc/88/46/08/761884608.db2.gz ZGXQUFPBKGHJHE-IBGZPJMESA-N 0 3 357.523 3.194 20 30 FGEDHN N#Cc1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cs1 ZINC000895152021 742382035 /nfs/dbraw/zinc/38/20/35/742382035.db2.gz KXONCBSSPNXXKY-UXHICEINSA-N 0 3 353.491 3.095 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)Nc1cccc(F)c1 ZINC000899458371 742943264 /nfs/dbraw/zinc/94/32/64/742943264.db2.gz ZLYPCMGOYRZRRS-UHFFFAOYSA-N 0 3 356.470 3.458 20 30 FGEDHN C#CCN(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000899614030 742988765 /nfs/dbraw/zinc/98/87/65/742988765.db2.gz UJKATVOHJOWOQD-UHFFFAOYSA-N 0 3 355.429 3.432 20 30 FGEDHN COc1ccc([C@@H](NC(C)C)C(=O)N(C)Cc2cc(C#N)cs2)cc1 ZINC000900750759 743159348 /nfs/dbraw/zinc/15/93/48/743159348.db2.gz LPLXNMHCEXOBEY-GOSISDBHSA-N 0 3 357.479 3.326 20 30 FGEDHN N#Cc1csc(CN[C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)n1 ZINC000903262393 743831691 /nfs/dbraw/zinc/83/16/91/743831691.db2.gz DUKWMQDOYGFYNG-CQSZACIVSA-N 0 3 356.451 3.158 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000906592342 744146805 /nfs/dbraw/zinc/14/68/05/744146805.db2.gz KYZYFDNAEDHRMG-UHFFFAOYSA-N 0 3 371.706 3.412 20 30 FGEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000948706222 762343732 /nfs/dbraw/zinc/34/37/32/762343732.db2.gz XKIDIUASFWGWOY-RRFJBIMHSA-N 0 3 350.915 3.451 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000948840171 762351769 /nfs/dbraw/zinc/35/17/69/762351769.db2.gz AGWXLQIKDWIAIQ-DAXLHBMMSA-N 0 3 354.922 3.423 20 30 FGEDHN Brc1ccc2c(c1)C=C(C=NNCCN1CCCCC1)CO2 ZINC000915973807 758014066 /nfs/dbraw/zinc/01/40/66/758014066.db2.gz FTXIJSGVHAJGHJ-UHFFFAOYSA-N 0 3 364.287 3.286 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917425 761005481 /nfs/dbraw/zinc/00/54/81/761005481.db2.gz YWEXYMBRJPAZJT-HNNXBMFYSA-N 0 3 358.335 3.312 20 30 FGEDHN CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CCCCC(C)(C)C#N)C1 ZINC000932692818 761220153 /nfs/dbraw/zinc/22/01/53/761220153.db2.gz FHWRXBPJOSSUDS-LJQANCHMSA-N 0 3 353.507 3.058 20 30 FGEDHN CC(C)[C@@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945062 761282588 /nfs/dbraw/zinc/28/25/88/761282588.db2.gz QPCRLJHKRWJTGK-YIZRAAEISA-N 0 3 355.269 3.106 20 30 FGEDHN C[C@H]1CN(CCCCC#N)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000933853725 761484229 /nfs/dbraw/zinc/48/42/29/761484229.db2.gz VXNQBCFQWICWNR-INIZCTEOSA-N 0 3 351.491 3.171 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](NCc2ccccc2Cl)C(C)(C)C1 ZINC000996330471 765000853 /nfs/dbraw/zinc/00/08/53/765000853.db2.gz LXCOSNVAJHWLNM-NJAFHUGGSA-N 0 3 362.901 3.258 20 30 FGEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000997178420 765047564 /nfs/dbraw/zinc/04/75/64/765047564.db2.gz VOAZMPYRORJTGZ-DJIMGWMZSA-N 0 3 356.432 3.371 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001020728148 765887682 /nfs/dbraw/zinc/88/76/82/765887682.db2.gz PKEQPOBIUNYDPV-NXNVCVFFSA-N 0 3 363.299 3.244 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001022841783 766032763 /nfs/dbraw/zinc/03/27/63/766032763.db2.gz HHDVXOQEAJDGOK-KRXQYRFLSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034751534 766248070 /nfs/dbraw/zinc/24/80/70/766248070.db2.gz RABAELWYJIORLG-OVWQWFNUSA-N 0 3 363.527 3.031 20 30 FGEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001039388758 766295007 /nfs/dbraw/zinc/29/50/07/766295007.db2.gz IJVKCTQUARYFJA-FXUDXRNXSA-N 0 3 360.420 3.128 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001045862887 766576590 /nfs/dbraw/zinc/57/65/90/766576590.db2.gz AGLYHKAILRLDAD-XWSJACJDSA-N 0 3 360.523 3.295 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001045970938 766579381 /nfs/dbraw/zinc/57/93/81/766579381.db2.gz OJRVXBHGADYOMB-ZXKHNXCXSA-N 0 3 352.906 3.035 20 30 FGEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001049528534 766792371 /nfs/dbraw/zinc/79/23/71/766792371.db2.gz GPSNKXBLUMCMAL-NCOADZHNSA-N 0 3 356.432 3.444 20 30 FGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)[C@@H]2C1 ZINC001050123418 766821747 /nfs/dbraw/zinc/82/17/47/766821747.db2.gz DIFPSKIBSCSRDD-ZJIFWQFVSA-N 0 3 362.926 3.451 20 30 FGEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001052655694 766914508 /nfs/dbraw/zinc/91/45/08/766914508.db2.gz HIRHOCAWBIJHAV-RBSFLKMASA-N 0 3 350.915 3.499 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2)CC1 ZINC001052723086 766915569 /nfs/dbraw/zinc/91/55/69/766915569.db2.gz PNTPAVWEJPSGSQ-OTWHNJEPSA-N 0 3 362.901 3.402 20 30 FGEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328642164 210122402 /nfs/dbraw/zinc/12/24/02/210122402.db2.gz QWWITCUUOSWUCP-FPOVZHCZSA-N 0 3 350.466 3.087 20 30 FGEDHN N#Cc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2C2CC2)cc1 ZINC000570852824 505595610 /nfs/dbraw/zinc/59/56/10/505595610.db2.gz AHKLRGSWODXMEO-UHFFFAOYSA-N 0 3 362.481 3.216 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C2CCOCC2)c1C ZINC000568124286 505622183 /nfs/dbraw/zinc/62/21/83/505622183.db2.gz VCNXZTXYOLOEKH-OAQYLSRUSA-N 0 3 369.509 3.441 20 30 FGEDHN COc1cc(C)c(CN(CCN(C)C)Cc2ccc(C#N)cc2)c(C)n1 ZINC000568139625 505625546 /nfs/dbraw/zinc/62/55/46/505625546.db2.gz KGANALYVDBRTFY-UHFFFAOYSA-N 0 3 352.482 3.143 20 30 FGEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000080901518 493788247 /nfs/dbraw/zinc/78/82/47/493788247.db2.gz WCKIGHFEJABSQY-UWJYYQICSA-N 0 3 357.498 3.100 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1CN1CCCCC1 ZINC000075938021 493797094 /nfs/dbraw/zinc/79/70/94/493797094.db2.gz DBICRHPCHTUHSQ-KRWDZBQOSA-N 0 3 360.889 3.100 20 30 FGEDHN N#CC1CCN(CCCOc2cccc(I)c2)CC1 ZINC000057872304 493810531 /nfs/dbraw/zinc/81/05/31/493810531.db2.gz QSAIKAINDSHTNM-UHFFFAOYSA-N 0 3 370.234 3.296 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000075964311 493801794 /nfs/dbraw/zinc/80/17/94/493801794.db2.gz YCYRNMYVFWIGOC-MOPGFXCFSA-N 0 3 368.502 3.412 20 30 FGEDHN CC(C)N1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000076055127 493814696 /nfs/dbraw/zinc/81/46/96/493814696.db2.gz KUQAWWSNMVOXHE-UHFFFAOYSA-N 0 3 367.415 3.183 20 30 FGEDHN COc1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1 ZINC000068991130 493903820 /nfs/dbraw/zinc/90/38/20/493903820.db2.gz QJYGNGKXKUVUOU-KRWDZBQOSA-N 0 3 369.440 3.473 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000076512963 493912121 /nfs/dbraw/zinc/91/21/21/493912121.db2.gz ORUQRPUVXXLZNW-UHFFFAOYSA-N 0 3 363.461 3.059 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Oc3cnccn3)c2)CC1 ZINC000076593110 493930850 /nfs/dbraw/zinc/93/08/50/493930850.db2.gz GNIIRHQMSDJDSH-UHFFFAOYSA-N 0 3 352.438 3.039 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000081687383 493942405 /nfs/dbraw/zinc/94/24/05/493942405.db2.gz RJZSNWCKNTYNBP-NRFANRHFSA-N 0 3 373.516 3.337 20 30 FGEDHN C=CCCCN(C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000076734151 493962378 /nfs/dbraw/zinc/96/23/78/493962378.db2.gz PHYHXARVMDVIIY-GOSISDBHSA-N 0 3 358.482 3.409 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000051425566 493969275 /nfs/dbraw/zinc/96/92/75/493969275.db2.gz YXCYJIIIOFKATM-HXUWFJFHSA-N 0 3 354.425 3.296 20 30 FGEDHN Cc1ccccc1OCCCN(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000051472912 493972588 /nfs/dbraw/zinc/97/25/88/493972588.db2.gz VDZASJATVDDPMR-LJQANCHMSA-N 0 3 354.450 3.007 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000076978604 494002459 /nfs/dbraw/zinc/00/24/59/494002459.db2.gz VSRWBXBRPYMTKY-KDOFPFPSSA-N 0 3 365.905 3.366 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nccc2ccccc21 ZINC000072081686 494125578 /nfs/dbraw/zinc/12/55/78/494125578.db2.gz APYWEVLQIGWGIN-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000086394687 494152766 /nfs/dbraw/zinc/15/27/66/494152766.db2.gz AVYBLXFMZRZVFH-INIZCTEOSA-N 0 3 367.497 3.191 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)CSCC#N)c1ccc(C(F)(F)F)cc1 ZINC000065121725 494173471 /nfs/dbraw/zinc/17/34/71/494173471.db2.gz LHADYESNCUSWQB-OAHLLOKOSA-N 0 3 373.444 3.461 20 30 FGEDHN COc1ccc(C)cc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931076 494256998 /nfs/dbraw/zinc/25/69/98/494256998.db2.gz PKBXJIWRVWKSGH-UHFFFAOYSA-N 0 3 365.477 3.008 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cccc(Cl)c1 ZINC000065930027 494257001 /nfs/dbraw/zinc/25/70/01/494257001.db2.gz QRWBZPMJPIJRAU-UHFFFAOYSA-N 0 3 371.868 3.181 20 30 FGEDHN CC1CCN(CCNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000054780248 494270311 /nfs/dbraw/zinc/27/03/11/494270311.db2.gz BENLBYCQOMFNFF-UHFFFAOYSA-N 0 3 367.449 3.192 20 30 FGEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043306177 494285634 /nfs/dbraw/zinc/28/56/34/494285634.db2.gz BERDUUVHKVWEFS-SFHVURJKSA-N 0 3 364.493 3.435 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000577369405 505714251 /nfs/dbraw/zinc/71/42/51/505714251.db2.gz CAFGFPYSEYRAJF-CTNGQTDRSA-N 0 3 369.509 3.441 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000577360336 505712438 /nfs/dbraw/zinc/71/24/38/505712438.db2.gz UKTJLVXLOMIFLN-JTHBVZDNSA-N 0 3 366.505 3.224 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000089594989 494328422 /nfs/dbraw/zinc/32/84/22/494328422.db2.gz FZUHATNUKJFIFE-OAQYLSRUSA-N 0 3 365.477 3.331 20 30 FGEDHN C[C@@H]1CCC[C@@H](OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000078672888 494341069 /nfs/dbraw/zinc/34/10/69/494341069.db2.gz OLVADBXVPXTOBQ-YLJYHZDGSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCNC(=O)c1ccc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)nc1 ZINC000078689534 494343583 /nfs/dbraw/zinc/34/35/83/494343583.db2.gz FVOIFGBJECOEEW-GOSISDBHSA-N 0 3 364.493 3.098 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000066726235 494395817 /nfs/dbraw/zinc/39/58/17/494395817.db2.gz JHFNGHULPYJEDS-QGZVFWFLSA-N 0 3 365.477 3.436 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000577405563 505720976 /nfs/dbraw/zinc/72/09/76/505720976.db2.gz DUGUYNRXRCSBHU-IFXJQAMLSA-N 0 3 352.438 3.380 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)cc2)CC1 ZINC000073767128 494425405 /nfs/dbraw/zinc/42/54/05/494425405.db2.gz RWNYMIKEHIXIDI-LAUBAEHRSA-N 0 3 354.498 3.031 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000067164485 494487427 /nfs/dbraw/zinc/48/74/27/494487427.db2.gz QVFKVNWLTKTLCS-UHFFFAOYSA-N 0 3 374.334 3.173 20 30 FGEDHN COc1ccc(C[C@H](C)CN(C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000090616691 494488078 /nfs/dbraw/zinc/48/80/78/494488078.db2.gz UTFZAGFLKFUBBA-KRWDZBQOSA-N 0 3 357.498 3.148 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3nc(CC)no3)ccc2C)CC1 ZINC000079833542 494533123 /nfs/dbraw/zinc/53/31/23/494533123.db2.gz FXVWZUZZRFGXMP-UHFFFAOYSA-N 0 3 369.469 3.379 20 30 FGEDHN N#Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000067446033 494543553 /nfs/dbraw/zinc/54/35/53/494543553.db2.gz RJFQGKWPWCCIMP-UHFFFAOYSA-N 0 3 363.417 3.138 20 30 FGEDHN C=CCOc1ccc(CN(CCN(C)C)C[C@@H]2CCCO2)cc1Cl ZINC000574240441 505727743 /nfs/dbraw/zinc/72/77/43/505727743.db2.gz NZWLSJXITJRREP-KRWDZBQOSA-N 0 3 352.906 3.447 20 30 FGEDHN C[C@@H]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000056817241 494568902 /nfs/dbraw/zinc/56/89/02/494568902.db2.gz FFMSPZYVKPJUHW-XLIONFOSSA-N 0 3 356.514 3.458 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1)CC(F)(F)F ZINC000121129818 494610577 /nfs/dbraw/zinc/61/05/77/494610577.db2.gz XRZZTHAJTQDTFW-HNNXBMFYSA-N 0 3 355.404 3.273 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000047011643 494617548 /nfs/dbraw/zinc/61/75/48/494617548.db2.gz WEBORGQAQHQQNH-LEWJYISDSA-N 0 3 365.452 3.391 20 30 FGEDHN COc1ccccc1COC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000092424226 494623306 /nfs/dbraw/zinc/62/33/06/494623306.db2.gz LHCDKZSMGLGJDW-NRFANRHFSA-N 0 3 366.461 3.281 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000115819523 494630493 /nfs/dbraw/zinc/63/04/93/494630493.db2.gz ZWLWFNHUQDZYDY-UHFFFAOYSA-N 0 3 369.490 3.283 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000126096329 494634594 /nfs/dbraw/zinc/63/45/94/494634594.db2.gz FNHFDGJEOJHVJG-HXUWFJFHSA-N 0 3 358.530 3.019 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)CC1 ZINC000108168154 494656985 /nfs/dbraw/zinc/65/69/85/494656985.db2.gz ZUDBOZGZTRJHOZ-UHFFFAOYSA-N 0 3 366.465 3.452 20 30 FGEDHN C=CCc1cc(CN2CCC(C(=O)N(CC)CC)CC2)cc(OC)c1O ZINC000092592795 494680179 /nfs/dbraw/zinc/68/01/79/494680179.db2.gz QHWFOPFYQOIPPB-UHFFFAOYSA-N 0 3 360.498 3.210 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025227524 494711773 /nfs/dbraw/zinc/71/17/73/494711773.db2.gz XXUCBNARJZSVPT-KNQAVFIVSA-N 0 3 366.461 3.338 20 30 FGEDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000126386536 494733059 /nfs/dbraw/zinc/73/30/59/494733059.db2.gz XOAXJPASYGWOHG-QFBILLFUSA-N 0 3 354.450 3.242 20 30 FGEDHN COc1ccc2[nH]cc(C3=CCN(CCC(=O)N(C)CCC#N)CC3)c2c1 ZINC000092802910 494754035 /nfs/dbraw/zinc/75/40/35/494754035.db2.gz USMJGCDXVVGAMA-UHFFFAOYSA-N 0 3 366.465 3.028 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCCC[C@H]2O)cc1OC ZINC000116343378 494764496 /nfs/dbraw/zinc/76/44/96/494764496.db2.gz QRGCJGWRHWLGDR-HUUCEWRRSA-N 0 3 370.287 3.416 20 30 FGEDHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000026205517 494808679 /nfs/dbraw/zinc/80/86/79/494808679.db2.gz PRWJQAMXOBPCGD-MRXNPFEDSA-N 0 3 362.376 3.031 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCN(Cc3cscn3)CC2)cc1 ZINC000093016258 494808839 /nfs/dbraw/zinc/80/88/39/494808839.db2.gz JCZKUCDQACNJIE-UHFFFAOYSA-N 0 3 369.538 3.201 20 30 FGEDHN CC(C)c1nc2n(n1)C[C@H](NCc1cccc(OCCCC#N)c1)CC2 ZINC000109074197 494826755 /nfs/dbraw/zinc/82/67/55/494826755.db2.gz FNEUXSMVFABOBQ-QGZVFWFLSA-N 0 3 353.470 3.189 20 30 FGEDHN N#CCc1ccc(NC(=O)Nc2cnn(CCN3CCCCC3)c2)cc1 ZINC000093209995 494844384 /nfs/dbraw/zinc/84/43/84/494844384.db2.gz HGTFBNWLGCVPFQ-UHFFFAOYSA-N 0 3 352.442 3.079 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1sccc1C#N ZINC000109313004 494858342 /nfs/dbraw/zinc/85/83/42/494858342.db2.gz KZNPIQRCEPELRD-KRWDZBQOSA-N 0 3 354.479 3.141 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000126928184 494863767 /nfs/dbraw/zinc/86/37/67/494863767.db2.gz COAHIETZVVLWOS-IBGZPJMESA-N 0 3 372.509 3.306 20 30 FGEDHN CCCN(CCO)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877362 494865480 /nfs/dbraw/zinc/86/54/80/494865480.db2.gz PVURROTVXPZADR-UHFFFAOYSA-N 0 3 354.450 3.350 20 30 FGEDHN COc1cc(CN(C)CC(C)(C)O)ccc1OCc1cccc(C#N)c1 ZINC000116879775 494866240 /nfs/dbraw/zinc/86/62/40/494866240.db2.gz HPBPADLHUGWXPN-UHFFFAOYSA-N 0 3 354.450 3.349 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ncccc2c1 ZINC000127118020 494895970 /nfs/dbraw/zinc/89/59/70/494895970.db2.gz CYVPHMLFYUVRNH-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@@H](CC(N)=O)C3)c2)c1 ZINC000093809099 494923540 /nfs/dbraw/zinc/92/35/40/494923540.db2.gz WJHCJKJTIUAIOT-IBGZPJMESA-N 0 3 363.461 3.225 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000574344175 505751333 /nfs/dbraw/zinc/75/13/33/505751333.db2.gz GSHCOBRPMQVLSU-QAPCUYQASA-N 0 3 354.479 3.136 20 30 FGEDHN CSCC[C@@H](CO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000133186522 494981467 /nfs/dbraw/zinc/98/14/67/494981467.db2.gz UFURFCBVWFJXFK-IBGZPJMESA-N 0 3 356.491 3.341 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C ZINC000568700932 505755946 /nfs/dbraw/zinc/75/59/46/505755946.db2.gz PDWJBUUIACBWHP-INIZCTEOSA-N 0 3 359.514 3.322 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2CCCC[C@H]2n2cccn2)c(C#N)c1C ZINC000127995949 495028575 /nfs/dbraw/zinc/02/85/75/495028575.db2.gz SRROEWPLJVSNJB-HZPDHXFCSA-N 0 3 357.483 3.145 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCC[C@@H](N3CCCC3)C2)c2ccccc21 ZINC000118829193 495043412 /nfs/dbraw/zinc/04/34/12/495043412.db2.gz VUYUETOYNQTMJX-GOSISDBHSA-N 0 3 364.493 3.298 20 30 FGEDHN Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000111311419 495063222 /nfs/dbraw/zinc/06/32/22/495063222.db2.gz UQUBLYBELQVVRF-YJBOKZPZSA-N 0 3 357.479 3.072 20 30 FGEDHN O=C(c1ccc(F)cc1)C(C(=S)[N-]C[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134137573 495110768 /nfs/dbraw/zinc/11/07/68/495110768.db2.gz SUQJYBHNGJHSAE-QGZVFWFLSA-O 0 3 373.473 3.211 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000128541859 495114056 /nfs/dbraw/zinc/11/40/56/495114056.db2.gz NPNBNZXIPSTIHI-QZTJIDSGSA-N 0 3 369.509 3.218 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(/C=C/c3ccco3)s2)CC1 ZINC000119399520 495159538 /nfs/dbraw/zinc/15/95/38/495159538.db2.gz XCBJCINKMZHSLF-AATRIKPKSA-N 0 3 373.482 3.464 20 30 FGEDHN N#Cc1cnn2cc(CNC3CC(F)(c4cccc(Cl)c4)C3)cnc12 ZINC000577634305 505768465 /nfs/dbraw/zinc/76/84/65/505768465.db2.gz IXWVYIVENUDENC-UHFFFAOYSA-N 0 3 355.804 3.371 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135238415 495267108 /nfs/dbraw/zinc/26/71/08/495267108.db2.gz UFQYATASMUWROV-MRXNPFEDSA-N 0 3 365.437 3.477 20 30 FGEDHN C[C@@H](NC1(CNC(=O)c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000113235006 495286966 /nfs/dbraw/zinc/28/69/66/495286966.db2.gz QOGIQDCDKCHSDV-QGZVFWFLSA-N 0 3 363.461 3.188 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN(CCc2cccc(F)c2)C2CC2)cc1 ZINC000113940588 495337892 /nfs/dbraw/zinc/33/78/92/495337892.db2.gz YLMATEQYHGVDOP-FQEVSTJZSA-N 0 3 354.425 3.144 20 30 FGEDHN COc1ccc2oc(CNC3CCN(c4ccc(C#N)cn4)CC3)cc2c1 ZINC000124873626 495357301 /nfs/dbraw/zinc/35/73/01/495357301.db2.gz SAGPSOXSKYRVLT-UHFFFAOYSA-N 0 3 362.433 3.467 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCN(c3ccccn3)C2)ccc1OC ZINC000120529541 495398693 /nfs/dbraw/zinc/39/86/93/495398693.db2.gz CHUZZPMKEVHVTJ-SFHVURJKSA-N 0 3 353.466 3.414 20 30 FGEDHN CN(CCN1CCCC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114687150 495409065 /nfs/dbraw/zinc/40/90/65/495409065.db2.gz WFHVWLTWGHOBNW-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)CC1 ZINC000106274940 495441906 /nfs/dbraw/zinc/44/19/06/495441906.db2.gz ZYCFBQBCFLZXOS-XLIONFOSSA-N 0 3 357.498 3.199 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)CCC2CCOCC2)cc1 ZINC000120749351 495449319 /nfs/dbraw/zinc/44/93/19/495449319.db2.gz JBEARLBWKZXCFW-SFHVURJKSA-N 0 3 357.498 3.379 20 30 FGEDHN CO[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000170820569 495614818 /nfs/dbraw/zinc/61/48/18/495614818.db2.gz FFMQLOCFMKTPBX-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2cncn2)cc1C)C(C)C ZINC000173715308 495659967 /nfs/dbraw/zinc/65/99/67/495659967.db2.gz JCKPHMITWALDMM-HXUWFJFHSA-N 0 3 367.497 3.004 20 30 FGEDHN N#CC(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nnc2n1CCCCC2 ZINC000176541770 495691198 /nfs/dbraw/zinc/69/11/98/495691198.db2.gz AWFRTFYOSUZBIF-KRWDZBQOSA-N 0 3 373.416 3.054 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(Cn4cncn4)cc3)CC2)cc1 ZINC000182759139 495691580 /nfs/dbraw/zinc/69/15/80/495691580.db2.gz UQEXVXGXZSTXEU-UHFFFAOYSA-N 0 3 372.476 3.275 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734460 495710688 /nfs/dbraw/zinc/71/06/88/495710688.db2.gz SIGQFMMNKVFUGK-MGPUTAFESA-N 0 3 358.482 3.312 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)cs1 ZINC000179754500 495720185 /nfs/dbraw/zinc/72/01/85/495720185.db2.gz YYQWBBMMMDEGAD-QGZVFWFLSA-N 0 3 369.490 3.452 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176613920 495721292 /nfs/dbraw/zinc/72/12/92/495721292.db2.gz JFIDVIVRLZXVJR-UHFFFAOYSA-N 0 3 359.514 3.274 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000568891179 505801695 /nfs/dbraw/zinc/80/16/95/505801695.db2.gz QHXDEQKKJRNRFS-IAGOWNOFSA-N 0 3 351.498 3.441 20 30 FGEDHN C=CCn1c(C2CCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000580639668 505803682 /nfs/dbraw/zinc/80/36/82/505803682.db2.gz KIGNXQVJFXDGHL-UHFFFAOYSA-N 0 3 351.498 3.444 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000171292321 495808018 /nfs/dbraw/zinc/80/80/18/495808018.db2.gz AYFWHJRUMNBRFD-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN Cn1cc(CNC[C@H](O)c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180041940 495833617 /nfs/dbraw/zinc/83/36/17/495833617.db2.gz BRZHXTKJWFEUMK-IBGZPJMESA-N 0 3 366.852 3.435 20 30 FGEDHN CCN(CC)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000180071243 495844848 /nfs/dbraw/zinc/84/48/48/495844848.db2.gz JDZYVHKFLMWSQN-UHFFFAOYSA-N 0 3 374.492 3.490 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(N(C)C)nc3ccccc32)CC1 ZINC000186070245 495845431 /nfs/dbraw/zinc/84/54/31/495845431.db2.gz POJHVYICIBVIJC-UHFFFAOYSA-N 0 3 352.482 3.071 20 30 FGEDHN Cc1cc(C[C@@H](C)NCc2cnc3ccc(C#N)cn23)n(-c2ccccc2)n1 ZINC000180296679 495939710 /nfs/dbraw/zinc/93/97/10/495939710.db2.gz MQSGZKIVNHRLAD-MRXNPFEDSA-N 0 3 370.460 3.421 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180302837 495943258 /nfs/dbraw/zinc/94/32/58/495943258.db2.gz OLNDBUJYIXQZPZ-HXUWFJFHSA-N 0 3 356.445 3.303 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C#N)c1 ZINC000151856660 495971059 /nfs/dbraw/zinc/97/10/59/495971059.db2.gz KVNSMMMXGUSTSA-HXUWFJFHSA-N 0 3 363.461 3.391 20 30 FGEDHN CN1CCC2(CC1)C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccccc1O2 ZINC000174467263 495972925 /nfs/dbraw/zinc/97/29/25/495972925.db2.gz BSQYYDJXIHNLIK-QGZVFWFLSA-N 0 3 353.466 3.175 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN2CCN(CC3CCOCC3)CC2)cc1 ZINC000177203084 495975895 /nfs/dbraw/zinc/97/58/95/495975895.db2.gz BMFVJTWYYFAEKY-UHFFFAOYSA-N 0 3 366.427 3.101 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000171716257 496003271 /nfs/dbraw/zinc/00/32/71/496003271.db2.gz ZHWDECLNWLPONM-DLBZAZTESA-N 0 3 363.299 3.319 20 30 FGEDHN N#CCCCCN[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000171715186 496003536 /nfs/dbraw/zinc/00/35/36/496003536.db2.gz KMUOLPKQMNPXPY-HXUWFJFHSA-N 0 3 365.433 3.056 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000171716966 496004273 /nfs/dbraw/zinc/00/42/73/496004273.db2.gz PHDMQEYNVNEHQY-UHFFFAOYSA-N 0 3 372.450 3.099 20 30 FGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000171717502 496004680 /nfs/dbraw/zinc/00/46/80/496004680.db2.gz BQPNSGRFOSTRJC-SJORKVTESA-N 0 3 363.299 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000171720513 496005973 /nfs/dbraw/zinc/00/59/73/496005973.db2.gz XGUBWYIZYPQZRE-UHFFFAOYSA-N 0 3 358.413 3.378 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2cccc(Br)c2)CC1 ZINC000171727585 496009766 /nfs/dbraw/zinc/00/97/66/496009766.db2.gz UOXADVMRDRWKHQ-UHFFFAOYSA-N 0 3 351.288 3.148 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OCc3ccccc3)nc2)CC1 ZINC000171728501 496009827 /nfs/dbraw/zinc/00/98/27/496009827.db2.gz JPZHLBQJHGTGOS-UHFFFAOYSA-N 0 3 365.477 3.431 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000177317538 496016014 /nfs/dbraw/zinc/01/60/14/496016014.db2.gz MMTBRQSKDRORMR-UXHICEINSA-N 0 3 368.525 3.109 20 30 FGEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3ccccn3)n2)cc1 ZINC000155647431 496023910 /nfs/dbraw/zinc/02/39/10/496023910.db2.gz AXDOFNSUKIYVHN-CQSZACIVSA-N 0 3 350.403 3.460 20 30 FGEDHN CSc1cccc(N(C(=O)c2cc(C#N)cn2C)C2CCN(C)CC2)c1 ZINC000177355080 496029106 /nfs/dbraw/zinc/02/91/06/496029106.db2.gz ZSKBENRLPZFKQV-UHFFFAOYSA-N 0 3 368.506 3.360 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(OCC(F)F)nc1 ZINC000155860161 496090612 /nfs/dbraw/zinc/09/06/12/496090612.db2.gz ZFBJDRAVIKDYLJ-GFCCVEGCSA-N 0 3 356.332 3.102 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(OCC(F)F)nc1 ZINC000155860161 496090615 /nfs/dbraw/zinc/09/06/15/496090615.db2.gz ZFBJDRAVIKDYLJ-GFCCVEGCSA-N 0 3 356.332 3.102 20 30 FGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000180834739 496164073 /nfs/dbraw/zinc/16/40/73/496164073.db2.gz KMNZYOLYEJYMOS-INIZCTEOSA-N 0 3 359.433 3.423 20 30 FGEDHN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CC(=O)N(CCC#N)CCC#N ZINC000177741448 496180092 /nfs/dbraw/zinc/18/00/92/496180092.db2.gz PRDBPYIYFFPRLA-HZPDHXFCSA-N 0 3 360.889 3.420 20 30 FGEDHN CCCCCOc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180873770 496180893 /nfs/dbraw/zinc/18/08/93/496180893.db2.gz XSXVOLNFCVJCIB-JHBCHSCWSA-N 0 3 371.481 3.433 20 30 FGEDHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000152539806 496181271 /nfs/dbraw/zinc/18/12/71/496181271.db2.gz BRGBWVVUPZQJFN-MAUKXSAKSA-N 0 3 371.506 3.326 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(CN(C)C)cc1 ZINC000161512166 496189832 /nfs/dbraw/zinc/18/98/32/496189832.db2.gz JDNWUVRUSXHOLT-UHFFFAOYSA-N 0 3 353.422 3.485 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(COc3ccc(C)nc3)c2)CC1 ZINC000172173362 496194566 /nfs/dbraw/zinc/19/45/66/496194566.db2.gz BGZYQQSDNKOCJV-UHFFFAOYSA-N 0 3 365.477 3.349 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000574677800 505828971 /nfs/dbraw/zinc/82/89/71/505828971.db2.gz KRHQILPLKMRLHN-JTHBVZDNSA-N 0 3 366.505 3.224 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000156308326 496211711 /nfs/dbraw/zinc/21/17/11/496211711.db2.gz VMISTFNBTIARHO-UHFFFAOYSA-N 0 3 369.509 3.488 20 30 FGEDHN N#Cc1cc(N2CCN(CC3CCOCC3)CC2)ccc1C(F)(F)F ZINC000184049719 496219167 /nfs/dbraw/zinc/21/91/67/496219167.db2.gz UTCFGZWNQXWPNK-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2)n[nH]1 ZINC000152968263 496310628 /nfs/dbraw/zinc/31/06/28/496310628.db2.gz UNUUNWKGHSSZML-AWEZNQCLSA-N 0 3 356.389 3.400 20 30 FGEDHN CCc1nc(-c2ccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cc2)n[nH]1 ZINC000152968263 496310635 /nfs/dbraw/zinc/31/06/35/496310635.db2.gz UNUUNWKGHSSZML-AWEZNQCLSA-N 0 3 356.389 3.400 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000184360555 496351168 /nfs/dbraw/zinc/35/11/68/496351168.db2.gz PTINRFWKKFHFEJ-KRWDZBQOSA-N 0 3 353.426 3.430 20 30 FGEDHN CN(CCC#N)c1ccc(CNCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000181558761 496445313 /nfs/dbraw/zinc/44/53/13/496445313.db2.gz MVDMXBKEVLRTAB-UHFFFAOYSA-N 0 3 364.449 3.283 20 30 FGEDHN N#CCC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000153426327 496451428 /nfs/dbraw/zinc/45/14/28/496451428.db2.gz IJSPIMPKISEMBQ-LJQANCHMSA-N 0 3 355.482 3.183 20 30 FGEDHN C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cccc(C#N)c1 ZINC000181592818 496461482 /nfs/dbraw/zinc/46/14/82/496461482.db2.gz BUBLISRSIRBHIH-KKSFZXQISA-N 0 3 353.441 3.421 20 30 FGEDHN C=CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)Cc1cccs1 ZINC000181641192 496482401 /nfs/dbraw/zinc/48/24/01/496482401.db2.gz BQWPBIORQCOODC-LJQANCHMSA-N 0 3 357.523 3.155 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)CSCc1ccc(C#N)cc1 ZINC000175654344 496485178 /nfs/dbraw/zinc/48/51/78/496485178.db2.gz GAQJUDSYXPHCIJ-UHFFFAOYSA-N 0 3 373.547 3.443 20 30 FGEDHN COCCC1(CN[C@@H]2CCN(c3sccc3C#N)C2=O)CCCCC1 ZINC000184725387 496509371 /nfs/dbraw/zinc/50/93/71/496509371.db2.gz FGVPWGKJXYDWNJ-MRXNPFEDSA-N 0 3 361.511 3.302 20 30 FGEDHN N#Cc1ccc(OC2CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000574773687 505853099 /nfs/dbraw/zinc/85/30/99/505853099.db2.gz MMDOTRYLYGMRQH-GOSISDBHSA-N 0 3 372.415 3.283 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000181895741 496590448 /nfs/dbraw/zinc/59/04/48/496590448.db2.gz DQWVFIFFVASGCM-HNNXBMFYSA-N 0 3 357.376 3.004 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3oc(C)c(C)c3c2)CC1 ZINC000187960934 496633255 /nfs/dbraw/zinc/63/32/55/496633255.db2.gz GXAIQGIITKVFDQ-UHFFFAOYSA-N 0 3 369.465 3.145 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000188076858 496673558 /nfs/dbraw/zinc/67/35/58/496673558.db2.gz BHVZRNKGHSTWAS-UHFFFAOYSA-N 0 3 357.498 3.030 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC#N)CCN1Cc1ccccc1 ZINC000176120690 496692144 /nfs/dbraw/zinc/69/21/44/496692144.db2.gz GKTXDYFMHPUQIL-IEBWSBKVSA-N 0 3 363.461 3.372 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000167342677 496700123 /nfs/dbraw/zinc/70/01/23/496700123.db2.gz QYBPSKXWAAHISV-QGZVFWFLSA-N 0 3 357.498 3.065 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000176154551 496706801 /nfs/dbraw/zinc/70/68/01/496706801.db2.gz POIDLGFGXXUFOS-OAQYLSRUSA-N 0 3 371.525 3.108 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000188404075 496777663 /nfs/dbraw/zinc/77/76/63/496777663.db2.gz DBXQIVFBPPSNJN-UTKZUKDTSA-N 0 3 359.473 3.369 20 30 FGEDHN N#Cc1cc(F)c(NCc2ccc(CN3CCC(O)CC3)cc2)c(F)c1 ZINC000264313648 496869920 /nfs/dbraw/zinc/86/99/20/496869920.db2.gz TVRIDNORRDPZOA-UHFFFAOYSA-N 0 3 357.404 3.405 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)CC1 ZINC000264359060 496881138 /nfs/dbraw/zinc/88/11/38/496881138.db2.gz OEQASEUFXCXWFL-UHFFFAOYSA-N 0 3 363.527 3.209 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000264396776 496891079 /nfs/dbraw/zinc/89/10/79/496891079.db2.gz YHTGKEQIQXJCKY-UHFFFAOYSA-N 0 3 372.332 3.302 20 30 FGEDHN N#Cc1ccc(Br)c(CN[C@@H](CC(N)=O)C2CCCCC2)c1 ZINC000191825196 496901873 /nfs/dbraw/zinc/90/18/73/496901873.db2.gz QJJMGPOLJLXNIP-INIZCTEOSA-N 0 3 364.287 3.235 20 30 FGEDHN Cc1nc(CC(C)C)oc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000188813694 496916829 /nfs/dbraw/zinc/91/68/29/496916829.db2.gz BOODIQHGHPILIY-UHFFFAOYSA-N 0 3 368.481 3.257 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264562086 496929807 /nfs/dbraw/zinc/92/98/07/496929807.db2.gz FURHOUDOIKDVDA-YLJYHZDGSA-N 0 3 372.488 3.021 20 30 FGEDHN C=CCc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc(OC)c1OC ZINC000264569672 496931591 /nfs/dbraw/zinc/93/15/91/496931591.db2.gz SDMHBIVHOUQFIX-GOSISDBHSA-N 0 3 358.482 3.133 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000195650744 496957829 /nfs/dbraw/zinc/95/78/29/496957829.db2.gz RISXNZFTUIABNE-HNNXBMFYSA-N 0 3 361.461 3.018 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(OCC#N)cc1 ZINC000189046934 496991120 /nfs/dbraw/zinc/99/11/20/496991120.db2.gz NEMYEERFZWBVSN-FOIQADDNSA-N 0 3 367.424 3.180 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192143423 497011433 /nfs/dbraw/zinc/01/14/33/497011433.db2.gz KMTNIDQBUPYWSM-AZUAARDMSA-N 0 3 371.387 3.285 20 30 FGEDHN C=C(C)COc1cc(CN[C@H](CO)C[C@H](O)c2ccccc2)ccc1OC ZINC000269898783 497020482 /nfs/dbraw/zinc/02/04/82/497020482.db2.gz FASNRVONWIQAHR-PMACEKPBSA-N 0 3 371.477 3.224 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC([C@@H]3CCCO3)CC1)CCC2 ZINC000189146365 497023914 /nfs/dbraw/zinc/02/39/14/497023914.db2.gz MHFDCFCUYMHSOF-KRWDZBQOSA-N 0 3 373.522 3.328 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000270058732 497049575 /nfs/dbraw/zinc/04/95/75/497049575.db2.gz WLINKTKPLXTWOI-FFGOWVMKSA-N 0 3 367.493 3.177 20 30 FGEDHN C=C(C)[C@@H](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)OCC ZINC000270155422 497067890 /nfs/dbraw/zinc/06/78/90/497067890.db2.gz XEVHMUPMHNTSDL-HXUWFJFHSA-N 0 3 359.514 3.447 20 30 FGEDHN C[C@@H](S[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000578192099 505883472 /nfs/dbraw/zinc/88/34/72/505883472.db2.gz ASAXBJCLMQZEEW-SJLPKXTDSA-N 0 3 357.523 3.335 20 30 FGEDHN CC(=O)c1ccc(C#N)c(NCc2ccccc2CN2CCC[C@@H]2CO)c1 ZINC000278362375 497088389 /nfs/dbraw/zinc/08/83/89/497088389.db2.gz KIXXWQWKCYJTPP-OAQYLSRUSA-N 0 3 363.461 3.330 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000249096320 497165056 /nfs/dbraw/zinc/16/50/56/497165056.db2.gz XZDHNSAIGHRQPO-LAUBAEHRSA-N 0 3 359.473 3.227 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)nn2-c2cc(C)ccn2)CC1 ZINC000278647952 497177892 /nfs/dbraw/zinc/17/78/92/497177892.db2.gz MKDFGBDGIDHRRD-UHFFFAOYSA-N 0 3 368.485 3.046 20 30 FGEDHN COC(=O)c1ccc(COc2ccc(CNCCCC#N)cc2OC)o1 ZINC000274875330 497187629 /nfs/dbraw/zinc/18/76/29/497187629.db2.gz XCFXCXNXVNECLO-UHFFFAOYSA-N 0 3 358.394 3.047 20 30 FGEDHN CN(CCNCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278731421 497202355 /nfs/dbraw/zinc/20/23/55/497202355.db2.gz ULSGWTZBRSEBJG-UHFFFAOYSA-N 0 3 360.465 3.085 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000278773568 497216257 /nfs/dbraw/zinc/21/62/57/497216257.db2.gz YVYNEAPJYSBALU-GUYCJALGSA-N 0 3 361.467 3.169 20 30 FGEDHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279201429 497366492 /nfs/dbraw/zinc/36/64/92/497366492.db2.gz AUXZXRJVERUPRV-CZUORRHYSA-N 0 3 369.371 3.102 20 30 FGEDHN CN(C[C@@H]1OCCc2ccccc21)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279267326 497387728 /nfs/dbraw/zinc/38/77/28/497387728.db2.gz IVIXOLGVGVDAJV-FPOVZHCZSA-N 0 3 359.429 3.013 20 30 FGEDHN CN(CCC#N)C(=O)CCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000271632346 497404172 /nfs/dbraw/zinc/40/41/72/497404172.db2.gz YSBSGAMRWBFXCK-LJQANCHMSA-N 0 3 371.506 3.046 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000575023578 505906170 /nfs/dbraw/zinc/90/61/70/505906170.db2.gz QJFIMCRRSKLJQB-UHFFFAOYSA-N 0 3 367.449 3.397 20 30 FGEDHN C[C@@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000271852754 497471052 /nfs/dbraw/zinc/47/10/52/497471052.db2.gz IUMDZOFOKMSDSK-CQSZACIVSA-N 0 3 357.841 3.323 20 30 FGEDHN COc1ccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000271874248 497477423 /nfs/dbraw/zinc/47/74/23/497477423.db2.gz NQUJEGIOYLNERH-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN CCOC(=O)C1CCC(N(CC)Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000575049711 505910438 /nfs/dbraw/zinc/91/04/38/505910438.db2.gz LMHCRGPZEQSRDO-UHFFFAOYSA-N 0 3 359.426 3.410 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000279676398 497506886 /nfs/dbraw/zinc/50/68/86/497506886.db2.gz UAHXAILSXLFFGZ-UHFFFAOYSA-N 0 3 365.477 3.292 20 30 FGEDHN C[C@H](CCc1cccc(F)c1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190604661 497542100 /nfs/dbraw/zinc/54/21/00/497542100.db2.gz YQBBHQLJHQUCDY-IERDGZPVSA-N 0 3 365.452 3.409 20 30 FGEDHN C[C@H](CCC#N)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000276340055 497549906 /nfs/dbraw/zinc/54/99/06/497549906.db2.gz SYXGPFBQNQDIPK-OLZOCXBDSA-N 0 3 365.275 3.187 20 30 FGEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279838248 497558963 /nfs/dbraw/zinc/55/89/63/497558963.db2.gz JIEXRNQXYITPPJ-UHFFFAOYSA-N 0 3 365.477 3.397 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC000272425139 497624626 /nfs/dbraw/zinc/62/46/26/497624626.db2.gz DTQWFXFZQRYNHG-IEBWSBKVSA-N 0 3 354.498 3.375 20 30 FGEDHN N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1cnc2ccccc2n1 ZINC000190893101 497635923 /nfs/dbraw/zinc/63/59/23/497635923.db2.gz ZILZBLOBRGEYRA-INIZCTEOSA-N 0 3 356.385 3.247 20 30 FGEDHN N#CC(C(=O)c1cccc(N2CCCC2=O)c1)c1cnc2ccccc2n1 ZINC000190893101 497635927 /nfs/dbraw/zinc/63/59/27/497635927.db2.gz ZILZBLOBRGEYRA-INIZCTEOSA-N 0 3 356.385 3.247 20 30 FGEDHN Cn1cc(CN[C@H]2CCN(c3ccccc3Br)C2)cc1C#N ZINC000191007477 497681303 /nfs/dbraw/zinc/68/13/03/497681303.db2.gz QOAQFSCCEALZJF-AWEZNQCLSA-N 0 3 359.271 3.028 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000194502248 497688267 /nfs/dbraw/zinc/68/82/67/497688267.db2.gz SACQBEQAALILMX-WMZOPIPTSA-N 0 3 358.482 3.072 20 30 FGEDHN CC(C)[C@@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000272707811 497708743 /nfs/dbraw/zinc/70/87/43/497708743.db2.gz HQROERZRAWNKPB-NQIIRXRSSA-N 0 3 371.525 3.290 20 30 FGEDHN C[C@@H]1SCCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000246410589 497723972 /nfs/dbraw/zinc/72/39/72/497723972.db2.gz QJUWLNHJVNXKAP-SCWSEQNSSA-N 0 3 368.502 3.477 20 30 FGEDHN Cn1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)c(-c2ccc(C#N)cc2)n1 ZINC000273006394 497782769 /nfs/dbraw/zinc/78/27/69/497782769.db2.gz YMJBMLGQWIHNHY-GOSISDBHSA-N 0 3 359.433 3.227 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]2C[C@H](C)O)c1 ZINC000246618463 497790072 /nfs/dbraw/zinc/79/00/72/497790072.db2.gz IFTJFHDQFQQUNO-FHWLQOOXSA-N 0 3 357.498 3.174 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000280573903 497792367 /nfs/dbraw/zinc/79/23/67/497792367.db2.gz KQFKCDLALNQORL-KRWDZBQOSA-N 0 3 364.440 3.067 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000329538517 497823953 /nfs/dbraw/zinc/82/39/53/497823953.db2.gz VNMYMSZZWWNKKE-HTDHLNIYSA-N 0 3 363.546 3.179 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CCN1C ZINC000329552914 497827390 /nfs/dbraw/zinc/82/73/90/497827390.db2.gz AVYZVMUJHILZLN-WKULXVSPSA-N 0 3 357.502 3.053 20 30 FGEDHN CC[C@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccc(C)cc1 ZINC000299532026 497838455 /nfs/dbraw/zinc/83/84/55/497838455.db2.gz CGRNAGDZNDSSBE-AWEZNQCLSA-O 0 3 371.482 3.338 20 30 FGEDHN Cc1ccc(OC[C@H](O)CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000581243525 505941892 /nfs/dbraw/zinc/94/18/92/505941892.db2.gz HYEPFSVSWFUWSJ-LJQANCHMSA-N 0 3 366.461 3.150 20 30 FGEDHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC[C@H](C)N(C)C1CC1)CC2 ZINC000329808755 497909936 /nfs/dbraw/zinc/90/99/36/497909936.db2.gz PONSSILEKQYXMG-CMPLNLGQSA-N 0 3 370.419 3.348 20 30 FGEDHN CN(C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)C1(C#N)CCCCC1 ZINC000329815691 497911672 /nfs/dbraw/zinc/91/16/72/497911672.db2.gz NXKOQGVSPVGRKB-QRVBRYPASA-N 0 3 361.530 3.077 20 30 FGEDHN COc1ccc2c(c1)[C@@H](NC(=O)N1CCN(C3CCCCC3)CC1)CCO2 ZINC000329827620 497916090 /nfs/dbraw/zinc/91/60/90/497916090.db2.gz CUWJJRPUUHZZAQ-IBGZPJMESA-N 0 3 373.497 3.383 20 30 FGEDHN COCCN1CCC(Nc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000301133034 497966584 /nfs/dbraw/zinc/96/65/84/497966584.db2.gz XQGAINRGPOTDCF-UHFFFAOYSA-N 0 3 363.465 3.190 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000330005092 497987245 /nfs/dbraw/zinc/98/72/45/497987245.db2.gz BPAHEBFWMDBCHP-KSZLIROESA-N 0 3 367.559 3.127 20 30 FGEDHN Cc1cc(C#N)nc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000569562245 505965091 /nfs/dbraw/zinc/96/50/91/505965091.db2.gz GFKQBNOFXSDERP-OAHLLOKOSA-N 0 3 361.371 3.362 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296382871 498021509 /nfs/dbraw/zinc/02/15/09/498021509.db2.gz HUXZHXIGIVAFJO-UMGGQSCQSA-N 0 3 354.498 3.279 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1noc2ccccc12)C(C)C ZINC000569589426 505971329 /nfs/dbraw/zinc/97/13/29/505971329.db2.gz LEMUSXBKBKOIJH-SFHVURJKSA-N 0 3 356.470 3.326 20 30 FGEDHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000301324079 498056988 /nfs/dbraw/zinc/05/69/88/498056988.db2.gz XAPVRYYADJSHOK-RDTXWAMCSA-N 0 3 351.410 3.184 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCN(C(C)C)CC2)cc1 ZINC000292610440 498079224 /nfs/dbraw/zinc/07/92/24/498079224.db2.gz WYKNQXXYOSLTAH-IBGZPJMESA-N 0 3 356.514 3.046 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](n3cc4ccccc4n3)C2)CC1 ZINC000364696910 498095713 /nfs/dbraw/zinc/09/57/13/498095713.db2.gz MXPUNZUDZROHII-LJQANCHMSA-N 0 3 367.497 3.033 20 30 FGEDHN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000330299042 498097507 /nfs/dbraw/zinc/09/75/07/498097507.db2.gz LZZKDVXYKZNHKZ-MJGOQNOKSA-N 0 3 361.530 3.389 20 30 FGEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000289319898 498103634 /nfs/dbraw/zinc/10/36/34/498103634.db2.gz JXRHUKURACNDLL-SFHVURJKSA-N 0 3 357.479 3.298 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nc3ccccc3cc2Br)CC1 ZINC000289351281 498115664 /nfs/dbraw/zinc/11/56/64/498115664.db2.gz JFFOBVPPUADKAS-UHFFFAOYSA-N 0 3 374.282 3.378 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000296661806 498142196 /nfs/dbraw/zinc/14/21/96/498142196.db2.gz ZRXVUGPXLDFWQX-FQEVSTJZSA-N 0 3 356.470 3.295 20 30 FGEDHN CC1(C)[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000581425137 505986037 /nfs/dbraw/zinc/98/60/37/505986037.db2.gz YPMUMDVPPVELFW-PMACEKPBSA-N 0 3 368.502 3.361 20 30 FGEDHN CCN1CCN(Cc2ccc(CNc3ccc(Cl)c(C#N)n3)cc2)CC1 ZINC000301523155 498147219 /nfs/dbraw/zinc/14/72/19/498147219.db2.gz MBYKMAULAFGZOC-UHFFFAOYSA-N 0 3 369.900 3.356 20 30 FGEDHN Cc1nc2c(c(N3CCCN(Cc4ccc(C#N)cc4)CC3)n1)CCCC2 ZINC000301559378 498162872 /nfs/dbraw/zinc/16/28/72/498162872.db2.gz JRKCSOCNXZOVOW-UHFFFAOYSA-N 0 3 361.493 3.248 20 30 FGEDHN Cn1cc(C[C@@H]2CCN(Cc3cccn3Cc3ccccc3C#N)C2)cn1 ZINC000364848391 498171357 /nfs/dbraw/zinc/17/13/57/498171357.db2.gz QJNYMWZJFOVXSX-SFHVURJKSA-N 0 3 359.477 3.206 20 30 FGEDHN COc1cccc([C@H](O)CN(CCOCCC#N)Cc2ccccc2)c1 ZINC000292884394 498182416 /nfs/dbraw/zinc/18/24/16/498182416.db2.gz UNKIYPRMSHAPMZ-OAQYLSRUSA-N 0 3 354.450 3.161 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCCCC(F)(F)C2)c1 ZINC000575742395 505995557 /nfs/dbraw/zinc/99/55/57/505995557.db2.gz FVHYQZILLXQSEH-OAHLLOKOSA-N 0 3 356.438 3.137 20 30 FGEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000281609029 498211383 /nfs/dbraw/zinc/21/13/83/498211383.db2.gz OZPWQIINVNSEKZ-GUDVDZBRSA-N 0 3 351.450 3.047 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000296933619 498257392 /nfs/dbraw/zinc/25/73/92/498257392.db2.gz OZTQBUKCDKKXFR-HNNXBMFYSA-N 0 3 350.532 3.232 20 30 FGEDHN N#Cc1ncn(CCN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)n1 ZINC000575807417 506009581 /nfs/dbraw/zinc/00/95/81/506009581.db2.gz SAWXVOBVLWVWRF-SFHVURJKSA-N 0 3 353.376 3.002 20 30 FGEDHN N#Cc1ccsc1NC(=O)CNC1(Cc2ccc(F)cc2)CCOCC1 ZINC000293141629 498283248 /nfs/dbraw/zinc/28/32/48/498283248.db2.gz DAEUMDOBWQRVGL-UHFFFAOYSA-N 0 3 373.453 3.079 20 30 FGEDHN C=CCC(F)(F)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000293305774 498339752 /nfs/dbraw/zinc/33/97/52/498339752.db2.gz IIQIRJSZWKRFAP-UHFFFAOYSA-N 0 3 366.452 3.385 20 30 FGEDHN Cc1nnc(Nc2cccc(N3CCN(C(C)C)CC3)c2)c(C#N)c1C ZINC000301960152 498345736 /nfs/dbraw/zinc/34/57/36/498345736.db2.gz MDZWWMNFXSFERV-UHFFFAOYSA-N 0 3 350.470 3.239 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000297214538 498361681 /nfs/dbraw/zinc/36/16/81/498361681.db2.gz DTZICCJFCZVXOZ-QILLFSRXSA-N 0 3 360.527 3.393 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(N3CCOCC3)c2)cc1 ZINC000293656641 498443799 /nfs/dbraw/zinc/44/37/99/498443799.db2.gz IFZZUVOCKQZMLT-SFHVURJKSA-N 0 3 350.462 3.386 20 30 FGEDHN COc1cc(CN(C)C2CCN(C(=O)c3ccccc3)CC2)ccc1C#N ZINC000282375385 498485901 /nfs/dbraw/zinc/48/59/01/498485901.db2.gz QMGDZXQPCSMRJC-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C/C=C\c1ccc(OC[C@@H](O)CNCc2cccc(C#N)c2)c(OC)c1 ZINC000575981239 506048322 /nfs/dbraw/zinc/04/83/22/506048322.db2.gz CKUZTWJLGWOICT-UABKOXTMSA-N 0 3 352.434 3.129 20 30 FGEDHN CO[C@@H](C)c1noc(CN2CCCN(CCCCC(C)(C)C#N)CC2)n1 ZINC000365638877 498573809 /nfs/dbraw/zinc/57/38/09/498573809.db2.gz XCKBFYJYISOWQS-INIZCTEOSA-N 0 3 363.506 3.005 20 30 FGEDHN N#CCc1cccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000365756473 498627994 /nfs/dbraw/zinc/62/79/94/498627994.db2.gz DHSCKLGXCHUAOU-FCHUYYIVSA-N 0 3 359.473 3.347 20 30 FGEDHN Cc1nsc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1C#N ZINC000572871742 506072415 /nfs/dbraw/zinc/07/24/15/506072415.db2.gz UALWAYJNFLDCNQ-DOTOQJQBSA-N 0 3 367.478 3.061 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298153363 498678244 /nfs/dbraw/zinc/67/82/44/498678244.db2.gz PKUJEKUGOIPGBC-YJBOKZPZSA-N 0 3 362.905 3.496 20 30 FGEDHN C=CCc1cc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc(OC)c1OC ZINC000287224973 498679352 /nfs/dbraw/zinc/67/93/52/498679352.db2.gz QJAGXBQNPLZYHS-QAPCUYQASA-N 0 3 358.482 3.131 20 30 FGEDHN COc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N2CCCC2)cc1 ZINC000298262803 498714485 /nfs/dbraw/zinc/71/44/85/498714485.db2.gz AEQDBWMMVRQEDB-QRFRQXIXSA-N 0 3 370.497 3.214 20 30 FGEDHN CCc1nc(CN2CCC[C@@H](N[C@H](C)c3ccc(C#N)cc3Cl)C2)no1 ZINC000366007241 498729604 /nfs/dbraw/zinc/72/96/04/498729604.db2.gz HYGNOWZNMRLYEX-UKRRQHHQSA-N 0 3 373.888 3.472 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2ccncn2)CC1)C(C)C ZINC000298328735 498733433 /nfs/dbraw/zinc/73/34/33/498733433.db2.gz RUKKZUFGMHZTON-FQEVSTJZSA-N 0 3 371.529 3.064 20 30 FGEDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000570112884 506093602 /nfs/dbraw/zinc/09/36/02/506093602.db2.gz KBKIXULXIKNRCM-BEFAXECRSA-N 0 3 352.434 3.077 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000294834799 498821240 /nfs/dbraw/zinc/82/12/40/498821240.db2.gz HJURIESCJBORAL-UHFFFAOYSA-N 0 3 362.355 3.328 20 30 FGEDHN N#Cc1cc([N+](=O)[O-])cnc1N1CCCN(CCCc2ccccc2)CC1 ZINC000363452781 498828768 /nfs/dbraw/zinc/82/87/68/498828768.db2.gz LXMPDWZZIZEGLE-UHFFFAOYSA-N 0 3 365.437 3.006 20 30 FGEDHN CC[C@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000291182486 498832796 /nfs/dbraw/zinc/83/27/96/498832796.db2.gz JXCSXNCFEKKDOR-NZQKXSOJSA-N 0 3 373.456 3.235 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000328608787 498874087 /nfs/dbraw/zinc/87/40/87/498874087.db2.gz MCYPJWTZGOQEED-NXEZZACHSA-N 0 3 366.263 3.050 20 30 FGEDHN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1nc2cc(Br)cnc2[n-]1 ZINC000328608787 498874093 /nfs/dbraw/zinc/87/40/93/498874093.db2.gz MCYPJWTZGOQEED-NXEZZACHSA-N 0 3 366.263 3.050 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2COc3c2cccc3Cl)cc1 ZINC000366375631 498900387 /nfs/dbraw/zinc/90/03/87/498900387.db2.gz KTONUJUUWNIAAF-YOEHRIQHSA-N 0 3 351.793 3.144 20 30 FGEDHN N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000366391923 498905647 /nfs/dbraw/zinc/90/56/47/498905647.db2.gz LWSMVGWWRKMCBL-YADHBBJMSA-N 0 3 372.472 3.021 20 30 FGEDHN N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000366391921 498905679 /nfs/dbraw/zinc/90/56/79/498905679.db2.gz LWSMVGWWRKMCBL-FGZHOGPDSA-N 0 3 372.472 3.021 20 30 FGEDHN O=C(C[C@@H]1CCCS(=O)(=O)C1)NCC1(N2CCCCC2)CCCCC1 ZINC000328711084 498910053 /nfs/dbraw/zinc/91/00/53/498910053.db2.gz RGTPIZYVRWTQNA-KRWDZBQOSA-N 0 3 370.559 3.347 20 30 FGEDHN C[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363710590 498954738 /nfs/dbraw/zinc/95/47/38/498954738.db2.gz MAPXSTCLBNZIEO-HNNXBMFYSA-N 0 3 369.428 3.412 20 30 FGEDHN Cc1ncncc1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000328847622 498958981 /nfs/dbraw/zinc/95/89/81/498958981.db2.gz SQYMNXHVVGJNGP-QGZVFWFLSA-N 0 3 352.438 3.078 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000328863743 498965272 /nfs/dbraw/zinc/96/52/72/498965272.db2.gz VWYZBTZDHCNBJW-AEFFLSMTSA-N 0 3 367.497 3.059 20 30 FGEDHN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000328946753 498994346 /nfs/dbraw/zinc/99/43/46/498994346.db2.gz GPFMTSNXJKWGLA-GBESFXJTSA-N 0 3 357.454 3.052 20 30 FGEDHN N#Cc1ccc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000582065824 506125363 /nfs/dbraw/zinc/12/53/63/506125363.db2.gz GHDZLLSVTQVARJ-AABGKKOBSA-N 0 3 363.417 3.471 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000284042819 499036316 /nfs/dbraw/zinc/03/63/16/499036316.db2.gz IYZNTXSXWFNRIV-FQEVSTJZSA-N 0 3 371.525 3.047 20 30 FGEDHN Cc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)nnn1-c1cccc(C)c1 ZINC000329133286 499052127 /nfs/dbraw/zinc/05/21/27/499052127.db2.gz BBZIQXWWSDZPPG-MRXNPFEDSA-N 0 3 353.470 3.206 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329222751 499076405 /nfs/dbraw/zinc/07/64/05/499076405.db2.gz WXENOHYUZYIEMB-VJANTYMQSA-N 0 3 371.529 3.445 20 30 FGEDHN N#Cc1cccc(CCNC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000366821639 499084920 /nfs/dbraw/zinc/08/49/20/499084920.db2.gz RFRUPERCNFUQFD-UHFFFAOYSA-N 0 3 362.477 3.065 20 30 FGEDHN C[C@H](NC(=O)NCc1ccnc(OC2CCCCC2)c1)C1=CCN(C)CC1 ZINC000329323172 499098880 /nfs/dbraw/zinc/09/88/80/499098880.db2.gz VARMXNJOHWRYHT-INIZCTEOSA-N 0 3 372.513 3.447 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000329363732 499108987 /nfs/dbraw/zinc/10/89/87/499108987.db2.gz HRRFSXLBHJUPIS-MSOLQXFVSA-N 0 3 369.469 3.094 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CCC1=O ZINC000329423336 499118689 /nfs/dbraw/zinc/11/86/89/499118689.db2.gz FGQZFMRSTHHIGP-GPMSIDNRSA-N 0 3 358.482 3.105 20 30 FGEDHN COc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1OCCCC#N ZINC000367698332 499226137 /nfs/dbraw/zinc/22/61/37/499226137.db2.gz FAEHBYJLYNWWHQ-KRWDZBQOSA-N 0 3 354.454 3.101 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000370586058 499233911 /nfs/dbraw/zinc/23/39/11/499233911.db2.gz ZYPOHPFJVVMTQH-UHFFFAOYSA-N 0 3 363.465 3.232 20 30 FGEDHN N#CCC[C@@H](NC(=O)C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000370919884 499270702 /nfs/dbraw/zinc/27/07/02/499270702.db2.gz KNJFBZCXRJHEMI-OAQYLSRUSA-N 0 3 362.477 3.455 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000368172178 499271231 /nfs/dbraw/zinc/27/12/31/499271231.db2.gz ZJZHKSUNTGCKQZ-NZQKXSOJSA-N 0 3 371.440 3.237 20 30 FGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000371161465 499294839 /nfs/dbraw/zinc/29/48/39/499294839.db2.gz WQKYEZNQWIEWJE-FGZHOGPDSA-N 0 3 369.509 3.095 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)N2CCCC23CCN(C)CC3)cc1C#N ZINC000371412786 499323086 /nfs/dbraw/zinc/32/30/86/499323086.db2.gz JCXCNAJEOMLTCA-UHFFFAOYSA-N 0 3 356.470 3.438 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000371443340 499327268 /nfs/dbraw/zinc/32/72/68/499327268.db2.gz PMVKXIKTIKFUIU-IBGZPJMESA-N 0 3 367.493 3.052 20 30 FGEDHN Cc1noc(C)c1CO[C@@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000368851838 499339573 /nfs/dbraw/zinc/33/95/73/499339573.db2.gz BEESPGIQSDBHRT-LJQANCHMSA-N 0 3 355.438 3.223 20 30 FGEDHN C=CCN(C(=O)[C@H]1CCCn2ccnc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000371827355 499369197 /nfs/dbraw/zinc/36/91/97/499369197.db2.gz USMIGATWFWTKEJ-PMACEKPBSA-N 0 3 364.493 3.050 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(CCOCC2)[C@H]1C ZINC000371834399 499370042 /nfs/dbraw/zinc/37/00/42/499370042.db2.gz JOQYJNCMHVJNTE-QZTJIDSGSA-N 0 3 355.482 3.213 20 30 FGEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000369156935 499372026 /nfs/dbraw/zinc/37/20/26/499372026.db2.gz PIJKZTBXHOXRNH-YJBOKZPZSA-N 0 3 353.445 3.067 20 30 FGEDHN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000369156932 499372089 /nfs/dbraw/zinc/37/20/89/499372089.db2.gz PIJKZTBXHOXRNH-CRAIPNDOSA-N 0 3 353.445 3.067 20 30 FGEDHN CN1CC[C@@H](CNC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000369564518 499418509 /nfs/dbraw/zinc/41/85/09/499418509.db2.gz JUOXYYLHXHDWEJ-QNICDLNXSA-N 0 3 351.475 3.442 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC23CCOCC3)c1C ZINC000372456212 499437210 /nfs/dbraw/zinc/43/72/10/499437210.db2.gz DNLUUEAFZKWUQN-UHFFFAOYSA-N 0 3 355.482 3.195 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378379666 499509333 /nfs/dbraw/zinc/50/93/33/499509333.db2.gz SQNZLWFCASLVJS-MOPGFXCFSA-N 0 3 371.481 3.082 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000375447500 499520246 /nfs/dbraw/zinc/52/02/46/499520246.db2.gz HXBGFTZIHWRRND-UKHYVGRKSA-N 0 3 355.482 3.291 20 30 FGEDHN C[C@@H](N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(C#N)s1 ZINC000378470877 499521068 /nfs/dbraw/zinc/52/10/68/499521068.db2.gz IIQNDXAURFQEOC-OCCSQVGLSA-N 0 3 357.483 3.195 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]21 ZINC000375519093 499528138 /nfs/dbraw/zinc/52/81/38/499528138.db2.gz IDWDSVYBDSBMHK-OXJNMPFZSA-N 0 3 350.466 3.111 20 30 FGEDHN N#Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1[N+](=O)[O-] ZINC000378615458 499538088 /nfs/dbraw/zinc/53/80/88/499538088.db2.gz LSSHFPXNJPCEFY-MSOLQXFVSA-N 0 3 363.421 3.105 20 30 FGEDHN N#Cc1nccnc1NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000390579830 499554619 /nfs/dbraw/zinc/55/46/19/499554619.db2.gz GYQKFWNTYGXQGW-UHFFFAOYSA-N 0 3 357.461 3.275 20 30 FGEDHN N#Cc1c(F)cccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404146370 499569825 /nfs/dbraw/zinc/56/98/25/499569825.db2.gz LOBDIUTWIBIBDQ-SFTDATJTSA-N 0 3 351.425 3.177 20 30 FGEDHN N#Cc1cccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1F ZINC000404179639 499570088 /nfs/dbraw/zinc/57/00/88/499570088.db2.gz IUBNHRLJGNXFKX-RTWAWAEBSA-N 0 3 365.452 3.173 20 30 FGEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccc(C#N)cc1 ZINC000375975202 499573288 /nfs/dbraw/zinc/57/32/88/499573288.db2.gz LYSAKPABSDPBBW-RDGPPVDQSA-N 0 3 371.481 3.112 20 30 FGEDHN CC1(C#N)CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000376002028 499575252 /nfs/dbraw/zinc/57/52/52/499575252.db2.gz AOSDORGLVBZOCK-UHFFFAOYSA-N 0 3 372.435 3.127 20 30 FGEDHN C=CCN1CC[C@@H](N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)C1=O ZINC000410329716 499655265 /nfs/dbraw/zinc/65/52/65/499655265.db2.gz JTEWYMXASXONCG-HXUWFJFHSA-N 0 3 353.466 3.143 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000377260667 499674811 /nfs/dbraw/zinc/67/48/11/499674811.db2.gz FFWFBQVJXBHEBU-APWZRJJASA-N 0 3 354.429 3.443 20 30 FGEDHN C=CCN(C(=O)CCc1cscn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377571481 499705918 /nfs/dbraw/zinc/70/59/18/499705918.db2.gz DFAMCBQBBAKIFY-IBGZPJMESA-N 0 3 355.507 3.365 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377624562 499712176 /nfs/dbraw/zinc/71/21/76/499712176.db2.gz PQLJJXGAKUCLOO-OWCLPIDISA-N 0 3 374.510 3.066 20 30 FGEDHN CCc1nc(CN2CCC[C@@H](N(C)[C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000377716673 499724416 /nfs/dbraw/zinc/72/44/16/499724416.db2.gz GNTDSLZCGTZXAE-CRAIPNDOSA-N 0 3 353.470 3.161 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)Nc1ccc(C#N)cc1 ZINC000414398625 499786706 /nfs/dbraw/zinc/78/67/06/499786706.db2.gz BAXKEZIAHDICOI-UHFFFAOYSA-N 0 3 354.410 3.151 20 30 FGEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412314253 499843945 /nfs/dbraw/zinc/84/39/45/499843945.db2.gz JTXMGYQKQXLZGE-UHFFFAOYSA-N 0 3 353.510 3.461 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415158783 499871693 /nfs/dbraw/zinc/87/16/93/499871693.db2.gz IWXPSGBAYHWPOE-BXUZGUMPSA-N 0 3 354.426 3.200 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415974763 499936040 /nfs/dbraw/zinc/93/60/40/499936040.db2.gz SDPBWHIYHRGOJQ-WFASDCNBSA-N 0 3 357.376 3.267 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429020771 499984914 /nfs/dbraw/zinc/98/49/14/499984914.db2.gz NZOMSXNVMGXVTE-NXEZDXNNSA-N 0 3 374.916 3.201 20 30 FGEDHN N#C[C@@H](CCc1ccccc1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425008296 499991896 /nfs/dbraw/zinc/99/18/96/499991896.db2.gz OVXZMKMFHLWKAY-XPWALMASSA-N 0 3 373.500 3.492 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000416266535 500001283 /nfs/dbraw/zinc/00/12/83/500001283.db2.gz ZTEAOKHNRSSTDK-ROUUACIJSA-N 0 3 350.418 3.105 20 30 FGEDHN CC(C)(CO)[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000429697608 500126297 /nfs/dbraw/zinc/12/62/97/500126297.db2.gz AMAJQZNHYUZFHK-HXUWFJFHSA-N 0 3 351.450 3.236 20 30 FGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000429715688 500129453 /nfs/dbraw/zinc/12/94/53/500129453.db2.gz NUZJKUNSZYEIFL-AWEZNQCLSA-N 0 3 368.319 3.216 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000425529870 500134407 /nfs/dbraw/zinc/13/44/07/500134407.db2.gz CUXRMKFRLWEMCB-CQSZACIVSA-N 0 3 352.394 3.488 20 30 FGEDHN COc1ccccc1COC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425537302 500137439 /nfs/dbraw/zinc/13/74/39/500137439.db2.gz QMBZVBOQQBQSAC-OXJNMPFZSA-N 0 3 354.450 3.137 20 30 FGEDHN COc1cc(NC(=O)NCC2CCC(C#N)CC2)ccc1OCCN(C)C ZINC000417679085 500146623 /nfs/dbraw/zinc/14/66/23/500146623.db2.gz GZWXTGKXUYPPJW-UHFFFAOYSA-N 0 3 374.485 3.087 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000425836671 500203433 /nfs/dbraw/zinc/20/34/33/500203433.db2.gz BSACRQPYCZPCRO-GSEOLPGOSA-N 0 3 354.498 3.373 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000426183149 500244527 /nfs/dbraw/zinc/24/45/27/500244527.db2.gz MTASQLMPVLQNLG-IBGZPJMESA-N 0 3 358.445 3.320 20 30 FGEDHN Cc1ccc2oc(CNC[C@H](O)COc3ccc(CC#N)cc3)cc2c1 ZINC000570529837 506188338 /nfs/dbraw/zinc/18/83/38/506188338.db2.gz XVFHVVPIAOFZLP-SFHVURJKSA-N 0 3 350.418 3.337 20 30 FGEDHN C=CCNC(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000427168101 500362171 /nfs/dbraw/zinc/36/21/71/500362171.db2.gz RZFFTOBHGYPOSL-OAQYLSRUSA-N 0 3 364.493 3.444 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc2c(c1)COC2)C(C)C ZINC000431692417 500409916 /nfs/dbraw/zinc/40/99/16/500409916.db2.gz PDZDTPLXHNGLRV-FQEVSTJZSA-N 0 3 357.498 3.215 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000573440911 506195327 /nfs/dbraw/zinc/19/53/27/506195327.db2.gz HKNQMFRDSLYPHQ-UUWFMWQGSA-N 0 3 373.478 3.025 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000424115634 500456576 /nfs/dbraw/zinc/45/65/76/500456576.db2.gz ARBOSYUYTMQHCN-VQTJNVASSA-N 0 3 351.450 3.082 20 30 FGEDHN COc1ccc(C2(CNC(=O)[C@H](N)CCCC#N)CCCCC2)cc1OC ZINC000424122513 500457196 /nfs/dbraw/zinc/45/71/96/500457196.db2.gz JNLUBNUSAPGZPD-QGZVFWFLSA-N 0 3 373.497 3.043 20 30 FGEDHN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)[C@@H](N)CCCC#N)cc3)ccc2O1 ZINC000424166752 500462511 /nfs/dbraw/zinc/46/25/11/500462511.db2.gz GLOUWYUKMINIEA-QRWLVFNGSA-N 0 3 363.461 3.314 20 30 FGEDHN COCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424187808 500465413 /nfs/dbraw/zinc/46/54/13/500465413.db2.gz WRQMEGHNIGQYJH-GJZGRUSLSA-N 0 3 358.269 3.208 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000428542752 500523292 /nfs/dbraw/zinc/52/32/92/500523292.db2.gz YGYAJNOBISPFPC-ZDUSSCGKSA-N 0 3 365.296 3.323 20 30 FGEDHN COc1ccc(CN[C@H]2Cc3cccc(O)c3C2)cc1OCCCC#N ZINC000428564058 500527766 /nfs/dbraw/zinc/52/77/66/500527766.db2.gz IETYVAUQQSGCAG-KRWDZBQOSA-N 0 3 352.434 3.340 20 30 FGEDHN CN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000582397846 506201943 /nfs/dbraw/zinc/20/19/43/506201943.db2.gz XZDUYRVMTBCEDR-HUUCEWRRSA-N 0 3 353.388 3.430 20 30 FGEDHN C[C@H](CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1)OCc1ccccc1 ZINC000428811424 500560817 /nfs/dbraw/zinc/56/08/17/500560817.db2.gz ZQBUTBTVDSQJIB-YLJYHZDGSA-N 0 3 351.450 3.402 20 30 FGEDHN C[C@@H]1CN(CCCNc2nc3c(cc2C#N)CCCC3(C)C)CCCO1 ZINC000432866833 500580389 /nfs/dbraw/zinc/58/03/89/500580389.db2.gz MVRPUBYMTALKNO-MRXNPFEDSA-N 0 3 356.514 3.480 20 30 FGEDHN COC(=O)c1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433013517 500607258 /nfs/dbraw/zinc/60/72/58/500607258.db2.gz XTERBTCSOHJODF-IBGZPJMESA-N 0 3 365.433 3.436 20 30 FGEDHN CCc1ccc([C@H]2CCN(C[C@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000433069140 500618385 /nfs/dbraw/zinc/61/83/85/500618385.db2.gz BXUTULWKJKSKQF-SFTDATJTSA-N 0 3 350.462 3.350 20 30 FGEDHN COc1ccccc1N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433112363 500628526 /nfs/dbraw/zinc/62/85/26/500628526.db2.gz AJJSEUDVUWFAKT-LJQANCHMSA-N 0 3 363.461 3.116 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000437493924 500650912 /nfs/dbraw/zinc/65/09/12/500650912.db2.gz LISQEHHXTKMJPU-COPCDDAFSA-N 0 3 370.537 3.427 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000437511951 500653066 /nfs/dbraw/zinc/65/30/66/500653066.db2.gz BEIOYYYWZHLKPJ-NSHGMRRFSA-N 0 3 360.473 3.135 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000433316891 500670555 /nfs/dbraw/zinc/67/05/55/500670555.db2.gz JUXFKQXBBAWKRC-HXUWFJFHSA-N 0 3 362.477 3.461 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000433352408 500678877 /nfs/dbraw/zinc/67/88/77/500678877.db2.gz JDSNMHZJEBVTPL-HXUWFJFHSA-N 0 3 367.493 3.010 20 30 FGEDHN COCCCN(Cc1ccncc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433350778 500678883 /nfs/dbraw/zinc/67/88/83/500678883.db2.gz GAHHNRCUMGGJJB-FQEVSTJZSA-N 0 3 351.450 3.219 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)CC1 ZINC000433624219 500723231 /nfs/dbraw/zinc/72/32/31/500723231.db2.gz GQDBDOGOFHZLJD-HNNXBMFYSA-N 0 3 359.367 3.221 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)CC)cc2)CC1 ZINC000448242347 500737607 /nfs/dbraw/zinc/73/76/07/500737607.db2.gz QEDFCCWXHNOVIV-UHFFFAOYSA-N 0 3 371.525 3.469 20 30 FGEDHN C=CCOc1cccc(CNC[C@@]2(COC)OCCc3ccccc32)c1 ZINC000570731062 506215547 /nfs/dbraw/zinc/21/55/47/506215547.db2.gz DYBWZSPZGVSQOQ-QFIPXVFZSA-N 0 3 353.462 3.456 20 30 FGEDHN CS[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1N(C)C ZINC000444331854 500835501 /nfs/dbraw/zinc/83/55/01/500835501.db2.gz QJELLZSVCJDIAG-MOPGFXCFSA-N 0 3 370.522 3.063 20 30 FGEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(O[C@@H]2CCOC2)c1 ZINC000602569390 506221060 /nfs/dbraw/zinc/22/10/60/506221060.db2.gz QYANSHXBUFTANH-IEBWSBKVSA-N 0 3 358.482 3.351 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000448932713 500873166 /nfs/dbraw/zinc/87/31/66/500873166.db2.gz LBEDXGFNHDMICY-OAHLLOKOSA-N 0 3 362.271 3.021 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnc(C)nc1C1CC1)C(C)C ZINC000439422030 500895244 /nfs/dbraw/zinc/89/52/44/500895244.db2.gz OUMWTWXEHGHNPX-SFHVURJKSA-N 0 3 357.502 3.483 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000439610605 500918034 /nfs/dbraw/zinc/91/80/34/500918034.db2.gz BSTYDYHZJNPPNA-OWLYRPNTSA-N 0 3 362.539 3.444 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@@H](OCC3CC3)C2)c(-c2ccncc2)n1 ZINC000434980932 500919439 /nfs/dbraw/zinc/91/94/39/500919439.db2.gz HUPVDQUUVKRLSE-HXUWFJFHSA-N 0 3 365.481 3.250 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000435733908 501020087 /nfs/dbraw/zinc/02/00/87/501020087.db2.gz VIRMOVOBRYDYTA-SJKOYZFVSA-N 0 3 350.825 3.131 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCCC1 ZINC000449816054 501095227 /nfs/dbraw/zinc/09/52/27/501095227.db2.gz UKOMCBRQRTVQTH-UHFFFAOYSA-N 0 3 357.454 3.231 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441349878 501124963 /nfs/dbraw/zinc/12/49/63/501124963.db2.gz GNAUAYBLWFPILO-VQIMIIECSA-N 0 3 354.498 3.351 20 30 FGEDHN N#CC1(CCCN2CCc3nccc(Br)c3C2)CCOCC1 ZINC000598945449 506238612 /nfs/dbraw/zinc/23/86/12/506238612.db2.gz INZHWBZDFXQTGM-UHFFFAOYSA-N 0 3 364.287 3.303 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1cscn1 ZINC000450742920 501198158 /nfs/dbraw/zinc/19/81/58/501198158.db2.gz DSHKYBDFNPFDGV-UHFFFAOYSA-N 0 3 363.556 3.284 20 30 FGEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451330556 501267475 /nfs/dbraw/zinc/26/74/75/501267475.db2.gz MLNZHMGUYSIPOO-SFHVURJKSA-N 0 3 357.841 3.206 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414298 501287302 /nfs/dbraw/zinc/28/73/02/501287302.db2.gz HYHSUFUBWWGYCV-NMLACTOBSA-N 0 3 373.472 3.086 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1(C)C ZINC000451487810 501304826 /nfs/dbraw/zinc/30/48/26/501304826.db2.gz FUUBLBGZVPJJGZ-IAOVAPTHSA-N 0 3 361.511 3.422 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451503628 501308181 /nfs/dbraw/zinc/30/81/81/501308181.db2.gz QZFPGMXBKKANIX-LQWHRVPQSA-N 0 3 357.498 3.014 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451507268 501308699 /nfs/dbraw/zinc/30/86/99/501308699.db2.gz VOGJRQHVWFSVIH-GDIGMMSISA-N 0 3 358.507 3.450 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1F ZINC000455552146 501332230 /nfs/dbraw/zinc/33/22/30/501332230.db2.gz YILXLCYCFPIRRF-UHFFFAOYSA-N 0 3 366.440 3.115 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000453445644 501333416 /nfs/dbraw/zinc/33/34/16/501333416.db2.gz NNOYHYRJKVDGIM-QGZVFWFLSA-N 0 3 351.498 3.300 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453448491 501334399 /nfs/dbraw/zinc/33/43/99/501334399.db2.gz CMMMNLNDWDZALH-MRXNPFEDSA-N 0 3 359.543 3.427 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCCN(C(C)C)CC1 ZINC000453459518 501338088 /nfs/dbraw/zinc/33/80/88/501338088.db2.gz CORHVHXNTCBTDW-UHFFFAOYSA-N 0 3 357.502 3.153 20 30 FGEDHN C=C(C)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453461060 501338325 /nfs/dbraw/zinc/33/83/25/501338325.db2.gz FQHIOLBGKBJIKR-OAQYLSRUSA-N 0 3 373.545 3.335 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451695686 501353114 /nfs/dbraw/zinc/35/31/14/501353114.db2.gz NVXPKEBTIPKBTH-MLHJIOFPSA-N 0 3 362.539 3.134 20 30 FGEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2C1 ZINC000451702442 501355302 /nfs/dbraw/zinc/35/53/02/501355302.db2.gz SMEBSVAOQNOVOS-IXDOHACOSA-N 0 3 353.384 3.420 20 30 FGEDHN CN(C)CCn1nccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455649593 501356468 /nfs/dbraw/zinc/35/64/68/501356468.db2.gz QWBRLYHHOLIWKM-KRWDZBQOSA-N 0 3 354.458 3.001 20 30 FGEDHN CSC1(CNC(=O)Nc2ccc(CC#N)cc2Cl)CCN(C)CC1 ZINC000455736226 501375378 /nfs/dbraw/zinc/37/53/78/501375378.db2.gz RJKUSFKDOLNINI-UHFFFAOYSA-N 0 3 366.918 3.355 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)c1ccco1 ZINC000455752430 501379279 /nfs/dbraw/zinc/37/92/79/501379279.db2.gz CJHQVRKEWXFGSK-XHDPSFHLSA-N 0 3 361.833 3.451 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC000458348174 501424459 /nfs/dbraw/zinc/42/44/59/501424459.db2.gz YLVRCRQWOUTFRT-UHFFFAOYSA-N 0 3 366.303 3.207 20 30 FGEDHN CN(C)C(=O)C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000456235337 501478694 /nfs/dbraw/zinc/47/86/94/501478694.db2.gz ROTYKUQBHALUIQ-VQTJNVASSA-N 0 3 363.461 3.095 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000582506065 506261703 /nfs/dbraw/zinc/26/17/03/506261703.db2.gz LDJZINBPEGCHDH-UTKZUKDTSA-N 0 3 362.477 3.363 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452978193 501595777 /nfs/dbraw/zinc/59/57/77/501595777.db2.gz QRLKBRLONFFFSE-VWPQPMDRSA-N 0 3 366.436 3.086 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000459153461 501604996 /nfs/dbraw/zinc/60/49/96/501604996.db2.gz NMPKTKCRINJKGZ-FQEVSTJZSA-N 0 3 354.498 3.210 20 30 FGEDHN C=CCC[C@@H](NCCN1C(=O)N[C@H](C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000459393403 501645780 /nfs/dbraw/zinc/64/57/80/501645780.db2.gz YEKXRDNBLCGBOU-IUODEOHRSA-N 0 3 369.387 3.243 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000457108681 501651931 /nfs/dbraw/zinc/65/19/31/501651931.db2.gz GDWVPWFIMXVLAR-GOSISDBHSA-N 0 3 367.449 3.285 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000459455934 501657180 /nfs/dbraw/zinc/65/71/80/501657180.db2.gz FHYVNZNJFPSGLT-HOTGVXAUSA-N 0 3 362.905 3.001 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@@H](C)C1 ZINC000459459002 501657478 /nfs/dbraw/zinc/65/74/78/501657478.db2.gz HQRGFCBVQPWTJT-BBWFWOEESA-N 0 3 374.554 3.434 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1C#N ZINC000459561849 501676915 /nfs/dbraw/zinc/67/69/15/501676915.db2.gz NJVTVWTYZPQASA-DOMZBBRYSA-N 0 3 355.467 3.108 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000474236081 501754916 /nfs/dbraw/zinc/75/49/16/501754916.db2.gz WRWXBEDWPWFCEW-OAQYLSRUSA-N 0 3 360.498 3.353 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C12CCCC2 ZINC000485314136 501785556 /nfs/dbraw/zinc/78/55/56/501785556.db2.gz FDNFSXCWHXUTID-XUVXKRRUSA-N 0 3 367.493 3.381 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460396545 501813613 /nfs/dbraw/zinc/81/36/13/501813613.db2.gz YZQZBUNFKMCTEH-CVEARBPZSA-N 0 3 359.543 3.425 20 30 FGEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470845974 501826532 /nfs/dbraw/zinc/82/65/32/501826532.db2.gz XZSMGDDCTCNPSE-OAHLLOKOSA-N 0 3 370.497 3.375 20 30 FGEDHN N#Cc1cc2cccnc2nc1NCc1ccccc1CN1CCC(O)CC1 ZINC000596139606 506276998 /nfs/dbraw/zinc/27/69/98/506276998.db2.gz MMYURKBPVYLYNF-UHFFFAOYSA-N 0 3 373.460 3.070 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000470965828 501873879 /nfs/dbraw/zinc/87/38/79/501873879.db2.gz HSBSWHVOOOILOX-NJYVYQBISA-N 0 3 359.429 3.135 20 30 FGEDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470981425 501880987 /nfs/dbraw/zinc/88/09/87/501880987.db2.gz CPAKYZZUOLMMER-IPMKNSEASA-N 0 3 353.466 3.198 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CCCCCC1 ZINC000460761508 501914971 /nfs/dbraw/zinc/91/49/71/501914971.db2.gz ZKOLGZSRBXUWMX-RBUKOAKNSA-N 0 3 351.535 3.265 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460808028 501925937 /nfs/dbraw/zinc/92/59/37/501925937.db2.gz WDPGOGRVWXDRCC-IAGOWNOFSA-N 0 3 364.497 3.312 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000588374703 506282295 /nfs/dbraw/zinc/28/22/95/506282295.db2.gz VZPMRVADHHEGKI-FOIQADDNSA-N 0 3 366.465 3.230 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCN(c2ccncc2OC)CC1)c1ccccc1 ZINC000478466219 501991585 /nfs/dbraw/zinc/99/15/85/501991585.db2.gz YVKKLGINACAAHN-LJQANCHMSA-N 0 3 365.477 3.489 20 30 FGEDHN C[C@H](CCN1CCN(c2cc(C#N)ccn2)CC1)OCc1ccccc1 ZINC000475056464 502038786 /nfs/dbraw/zinc/03/87/86/502038786.db2.gz IWNNNRBFIGMJOD-GOSISDBHSA-N 0 3 350.466 3.071 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)[C@H]1OC ZINC000482499384 502089708 /nfs/dbraw/zinc/08/97/08/502089708.db2.gz NVJLWQAJEJHNDD-YPAWHYETSA-N 0 3 366.461 3.419 20 30 FGEDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000478859308 502105394 /nfs/dbraw/zinc/10/53/94/502105394.db2.gz RRHDUKOOTYDXCS-GCKAQTDUSA-N 0 3 355.388 3.459 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000461449767 502119604 /nfs/dbraw/zinc/11/96/04/502119604.db2.gz YSTUVWBFNNNULO-SFTDATJTSA-N 0 3 359.473 3.461 20 30 FGEDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475589656 502220786 /nfs/dbraw/zinc/22/07/86/502220786.db2.gz SYEKRUVVPPSFHI-IAGOWNOFSA-N 0 3 369.575 3.136 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)C[C@H](CC#N)c2ccccc2)c1 ZINC000475595594 502222856 /nfs/dbraw/zinc/22/28/56/502222856.db2.gz LTTDSCRMQYIYNX-FQEVSTJZSA-N 0 3 365.477 3.331 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000465408332 502252572 /nfs/dbraw/zinc/25/25/72/502252572.db2.gz LGTKNANHKPANHB-ZSZQSSIHSA-N 0 3 350.528 3.444 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCS[C@@H](C(C)C)C1)C(C)C ZINC000465543515 502299332 /nfs/dbraw/zinc/29/93/32/502299332.db2.gz KREKWYPUUUFKOT-ZWKOTPCHSA-N 0 3 353.576 3.468 20 30 FGEDHN C[C@@H](NCC1(OCCO)CCC(F)(F)CC1)c1ccc(C#N)cc1F ZINC000599066458 506306782 /nfs/dbraw/zinc/30/67/82/506306782.db2.gz SCGRPYXWTBKYCH-CYBMUJFWSA-N 0 3 356.388 3.305 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000582585735 506307961 /nfs/dbraw/zinc/30/79/61/506307961.db2.gz HMBXNVOLDPOYRJ-SFHVURJKSA-N 0 3 357.498 3.307 20 30 FGEDHN CC(C)[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCN1C ZINC000487077376 502350827 /nfs/dbraw/zinc/35/08/27/502350827.db2.gz WQKSUPNIUGKYCW-KRWDZBQOSA-N 0 3 360.408 3.484 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476243777 502426609 /nfs/dbraw/zinc/42/66/09/502426609.db2.gz DRZIIZNZGAQZIY-IBGZPJMESA-N 0 3 357.498 3.080 20 30 FGEDHN CN(C)CCOCCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000476295074 502445777 /nfs/dbraw/zinc/44/57/77/502445777.db2.gz UCUMMIGNGWVUAB-UHFFFAOYSA-N 0 3 369.490 3.017 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)CN1C1CC1 ZINC000469554787 502459887 /nfs/dbraw/zinc/45/98/87/502459887.db2.gz SNZJLEDUWZXPQE-CVEARBPZSA-N 0 3 350.466 3.300 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)NCC1(SC)CCN(C)CC1 ZINC000462509035 502469641 /nfs/dbraw/zinc/46/96/41/502469641.db2.gz IGVKWUPUZXKELN-UHFFFAOYSA-N 0 3 365.518 3.351 20 30 FGEDHN N#Cc1ccc(OCCNCc2cc(Br)cc3c2OCC3)cc1 ZINC000462546483 502482108 /nfs/dbraw/zinc/48/21/08/502482108.db2.gz GSBQKUVQLAYOET-UHFFFAOYSA-N 0 3 373.250 3.424 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000476457032 502493476 /nfs/dbraw/zinc/49/34/76/502493476.db2.gz JVDSUWYRCFDRGB-QGZVFWFLSA-N 0 3 367.415 3.231 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487934322 502571870 /nfs/dbraw/zinc/57/18/70/502571870.db2.gz KNFVWOSXZVMWKN-GFCCVEGCSA-N 0 3 365.275 3.317 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Oc2cccnc2)cc1 ZINC000487965776 502583065 /nfs/dbraw/zinc/58/30/65/502583065.db2.gz GPAOXPUJNHKKTL-CVEARBPZSA-N 0 3 364.449 3.475 20 30 FGEDHN C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1-n1cccn1 ZINC000469969780 502613965 /nfs/dbraw/zinc/61/39/65/502613965.db2.gz RUPCLOXDYZRTFL-JXFKEZNVSA-N 0 3 371.444 3.200 20 30 FGEDHN C=C(C)[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1ccc(F)c(F)c1 ZINC000477040742 502656943 /nfs/dbraw/zinc/65/69/43/502656943.db2.gz PZXGHJGKMZGLJQ-FUHWJXTLSA-N 0 3 369.481 3.319 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[C@H]2C)cc1 ZINC000481038333 502736527 /nfs/dbraw/zinc/73/65/27/502736527.db2.gz QTTHLFCJCMATQO-QLFBSQMISA-N 0 3 363.483 3.320 20 30 FGEDHN C[C@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000463263973 502740341 /nfs/dbraw/zinc/74/03/41/502740341.db2.gz XQNQHORVAHAQDR-INIZCTEOSA-N 0 3 351.450 3.378 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000488844563 502824457 /nfs/dbraw/zinc/82/44/57/502824457.db2.gz XDVUZXISVYFJJO-GHTZIAJQSA-N 0 3 356.510 3.448 20 30 FGEDHN CN1CCC(Nc2ccccc2NC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000509173819 502840335 /nfs/dbraw/zinc/84/03/35/502840335.db2.gz ZKAIMQVONCFTCF-UHFFFAOYSA-N 0 3 366.440 3.385 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000495453622 502841770 /nfs/dbraw/zinc/84/17/70/502841770.db2.gz DNTMDLNNYKWZTG-CALCHBBNSA-N 0 3 363.502 3.123 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000505307970 502886410 /nfs/dbraw/zinc/88/64/10/502886410.db2.gz LJLDXSGYMYUBHZ-GOSISDBHSA-N 0 3 351.425 3.021 20 30 FGEDHN C=C(CNC(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000501003194 502910017 /nfs/dbraw/zinc/91/00/17/502910017.db2.gz WZQAKPOPURIAFA-UHFFFAOYSA-N 0 3 350.466 3.311 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc2c1OCCCO2 ZINC000582643635 506341657 /nfs/dbraw/zinc/34/16/57/506341657.db2.gz YEYHFRRUSZTKLX-KRWDZBQOSA-N 0 3 350.418 3.237 20 30 FGEDHN C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000505596779 502945203 /nfs/dbraw/zinc/94/52/03/502945203.db2.gz NRLGTYYENZPGGI-GUXCAODWSA-N 0 3 351.450 3.133 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000513538672 502961623 /nfs/dbraw/zinc/96/16/23/502961623.db2.gz ASJGRPGJCAKLBN-UHFFFAOYSA-N 0 3 374.444 3.016 20 30 FGEDHN N#Cc1cccc(CN2CCC(Nc3cc(=O)[nH]c4cccnc34)CC2)c1 ZINC000596293147 506344363 /nfs/dbraw/zinc/34/43/63/506344363.db2.gz AEXPJPRKWRESMQ-UHFFFAOYSA-N 0 3 359.433 3.284 20 30 FGEDHN CCc1nn(C)c(CC)c1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000513750400 503016213 /nfs/dbraw/zinc/01/62/13/503016213.db2.gz HNUDAPVWIGSNII-UHFFFAOYSA-N 0 3 352.482 3.460 20 30 FGEDHN C=CCCCS(=O)(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000489890834 503058069 /nfs/dbraw/zinc/05/80/69/503058069.db2.gz SKWJMCXTCJGALJ-LJQANCHMSA-N 0 3 350.528 3.174 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000506192195 503066781 /nfs/dbraw/zinc/06/67/81/503066781.db2.gz UOZMYYFENCFGMD-UHFFFAOYSA-N 0 3 351.425 3.400 20 30 FGEDHN CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(OC)c(OC)c1 ZINC000510237953 503077477 /nfs/dbraw/zinc/07/74/77/503077477.db2.gz HLJADYWTVJJXGN-PTSWNOGYSA-N 0 3 361.486 3.187 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000498107748 503108470 /nfs/dbraw/zinc/10/84/70/503108470.db2.gz WBSPGDSSQHLLGL-IBGZPJMESA-N 0 3 355.482 3.193 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CC)CCOC)cc1OC ZINC000506476331 503122727 /nfs/dbraw/zinc/12/27/27/503122727.db2.gz FRYQKNAIKWDEIQ-UHFFFAOYSA-N 0 3 358.276 3.491 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1)N(C)C ZINC000510528587 503135047 /nfs/dbraw/zinc/13/50/47/503135047.db2.gz XQSXASHMVRSJJF-WWMYMODYSA-N 0 3 365.477 3.442 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)C(C)C ZINC000498358837 503166759 /nfs/dbraw/zinc/16/67/59/503166759.db2.gz HXLALTJGGDUTTK-FQEVSTJZSA-N 0 3 352.482 3.301 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(-c2cccc(C)c2)nn1)C(C)C ZINC000498371090 503171233 /nfs/dbraw/zinc/17/12/33/503171233.db2.gz DIPFEMCGOCXWQV-HXUWFJFHSA-N 0 3 367.497 3.004 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cn(CCCCC)nc2C)CC1 ZINC000502291755 503175235 /nfs/dbraw/zinc/17/52/35/503175235.db2.gz KBCGTLUXWIUSPU-UHFFFAOYSA-N 0 3 361.534 3.221 20 30 FGEDHN N#Cc1ccc(C2=CCN(C[C@@H](O)COCc3ccccc3F)CC2)cc1 ZINC000502549446 503222804 /nfs/dbraw/zinc/22/28/04/503222804.db2.gz YMBGQWQWKRIRMM-OAQYLSRUSA-N 0 3 366.436 3.364 20 30 FGEDHN CC(C)OC[C@@H](CO)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000515020643 503252060 /nfs/dbraw/zinc/25/20/60/503252060.db2.gz UDFPFPAZSIILOG-OAQYLSRUSA-N 0 3 368.477 3.355 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1-c1ccccc1 ZINC000507219153 503252752 /nfs/dbraw/zinc/25/27/52/503252752.db2.gz NMTOCCMFSVJODP-MRXNPFEDSA-N 0 3 351.450 3.186 20 30 FGEDHN COc1ccccc1C[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507401404 503294458 /nfs/dbraw/zinc/29/44/58/503294458.db2.gz LBFYXMSHSLBIIS-OXQOHEQNSA-N 0 3 363.461 3.283 20 30 FGEDHN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502940897 503312184 /nfs/dbraw/zinc/31/21/84/503312184.db2.gz RXUXXJVMYMFQRZ-UWJYYQICSA-N 0 3 372.513 3.170 20 30 FGEDHN C=CCN1CC[C@@H](N2CCC(c3ccc(Br)cc3)CC2)C1=O ZINC000503367986 503396110 /nfs/dbraw/zinc/39/61/10/503396110.db2.gz MFRPMVXKXPXDQO-QGZVFWFLSA-N 0 3 363.299 3.415 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H]2CCC[C@H]2OCc2ccccc2)c(C#N)c1C ZINC000503517623 503426175 /nfs/dbraw/zinc/42/61/75/503426175.db2.gz RYDIPFHWSXCPTM-RBUKOAKNSA-N 0 3 367.449 3.434 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000493688752 503440594 /nfs/dbraw/zinc/44/05/94/503440594.db2.gz XIHOHXSHDZQYNA-LSBZLQRGSA-N 0 3 361.511 3.160 20 30 FGEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000503601350 503444691 /nfs/dbraw/zinc/44/46/91/503444691.db2.gz MBXMVLOJQTUTKC-HBFSDRIKSA-N 0 3 366.465 3.183 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000493785664 503445033 /nfs/dbraw/zinc/44/50/33/503445033.db2.gz JOYGUEGYJJILDP-AEFFLSMTSA-N 0 3 362.518 3.049 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000516280583 503487688 /nfs/dbraw/zinc/48/76/88/503487688.db2.gz DWJXTTMDMZGOFL-FUHWJXTLSA-N 0 3 356.470 3.365 20 30 FGEDHN CCC[C@]1(NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCOC1 ZINC000512275971 503506059 /nfs/dbraw/zinc/50/60/59/503506059.db2.gz HWIVTISWMCJSDA-KXBFYZLASA-N 0 3 361.511 3.426 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCCO1 ZINC000516518996 503525682 /nfs/dbraw/zinc/52/56/82/503525682.db2.gz FUDGOEJAJIYVSO-MRXNPFEDSA-N 0 3 355.404 3.120 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)NCC2(CC#N)CC2)N(C)C)cc1 ZINC000504140546 503529448 /nfs/dbraw/zinc/52/94/48/503529448.db2.gz LNIGLIWOIMCYEL-SFHVURJKSA-N 0 3 358.486 3.070 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000504346148 503560721 /nfs/dbraw/zinc/56/07/21/503560721.db2.gz SSGJZJYHMAGRNQ-UHFFFAOYSA-N 0 3 351.450 3.444 20 30 FGEDHN CC(C)CN1CCO[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689523 503570030 /nfs/dbraw/zinc/57/00/30/503570030.db2.gz HAOMPNHOOUTBAG-MRXNPFEDSA-N 0 3 355.404 3.023 20 30 FGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000494678923 503590407 /nfs/dbraw/zinc/59/04/07/503590407.db2.gz HOZKELSMADLYAV-KRWDZBQOSA-N 0 3 370.497 3.059 20 30 FGEDHN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508907219 503597370 /nfs/dbraw/zinc/59/73/70/503597370.db2.gz LJGGGFJOTWQQJB-SFHVURJKSA-N 0 3 373.932 3.485 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000509044788 503629244 /nfs/dbraw/zinc/62/92/44/503629244.db2.gz SGHAVEVYPLQYSP-UHFFFAOYSA-N 0 3 353.253 3.021 20 30 FGEDHN CC[C@@]1(O)CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495206920 503700234 /nfs/dbraw/zinc/70/02/34/503700234.db2.gz AKXWSBRIUHFMIZ-LJQANCHMSA-N 0 3 361.511 3.064 20 30 FGEDHN CC(C)OCc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527162763 503701678 /nfs/dbraw/zinc/70/16/78/503701678.db2.gz HPRVWRHTHOKWDC-NRFANRHFSA-N 0 3 361.445 3.482 20 30 FGEDHN CC[C@]1(O)CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000495220196 503703663 /nfs/dbraw/zinc/70/36/63/503703663.db2.gz FAHHPQLHYSZEHF-QFIPXVFZSA-N 0 3 366.461 3.493 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ncccc1C ZINC000536740054 503705975 /nfs/dbraw/zinc/70/59/75/503705975.db2.gz XLAWCNFGPXXSCX-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000533079768 503724581 /nfs/dbraw/zinc/72/45/81/503724581.db2.gz BLYXYMADLDYOGV-MRXNPFEDSA-N 0 3 352.434 3.378 20 30 FGEDHN C=CCOc1cccnc1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000540391699 503756611 /nfs/dbraw/zinc/75/66/11/503756611.db2.gz JPFHFCBLYVZUGS-UHFFFAOYSA-N 0 3 365.477 3.383 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CCC1 ZINC000527377771 503783454 /nfs/dbraw/zinc/78/34/54/503783454.db2.gz AIVRCJNVSSTMEX-HOCLYGCPSA-N 0 3 365.399 3.494 20 30 FGEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@H](Cc4ccc(F)cc4)C3)C2=O)cc1 ZINC000533299483 503796699 /nfs/dbraw/zinc/79/66/99/503796699.db2.gz CSJAFOUYCFDPCY-NQIIRXRSSA-N 0 3 363.436 3.367 20 30 FGEDHN C[C@H](c1ccc(-c2cccc(F)c2C#N)cc1)N1CCN(CCO)CC1 ZINC000527590074 503844810 /nfs/dbraw/zinc/84/48/10/503844810.db2.gz XROYUFIRRAPYFQ-MRXNPFEDSA-N 0 3 353.441 3.035 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@]2(CCCOC2)C1 ZINC000533445474 503849041 /nfs/dbraw/zinc/84/90/41/503849041.db2.gz RAZBVIRLLGODAJ-YWDUDDICSA-N 0 3 361.530 3.198 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000530240714 503889216 /nfs/dbraw/zinc/88/92/16/503889216.db2.gz GNMDQCZRBYTTCO-PXNSSMCTSA-N 0 3 356.853 3.423 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000533670981 503917216 /nfs/dbraw/zinc/91/72/16/503917216.db2.gz TXEPBHCWNPNYRI-XBPCWFMRSA-N 0 3 361.530 3.054 20 30 FGEDHN C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000540976283 503961872 /nfs/dbraw/zinc/96/18/72/503961872.db2.gz LQKZMLZFKRETQX-HNAYVOBHSA-N 0 3 372.513 3.398 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000537609785 503973631 /nfs/dbraw/zinc/97/36/31/503973631.db2.gz AKDQGDSZAVETIZ-QGZVFWFLSA-N 0 3 366.509 3.283 20 30 FGEDHN CN1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC12CCCCC2 ZINC000518559615 504015471 /nfs/dbraw/zinc/01/54/71/504015471.db2.gz CLAFYUBNPCOSFB-UHFFFAOYSA-N 0 3 374.916 3.491 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2cc(C)[nH]n2)CC1 ZINC000541120623 504015878 /nfs/dbraw/zinc/01/58/78/504015878.db2.gz RMKHIZXKHQOFJQ-IBGZPJMESA-N 0 3 355.482 3.066 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2cc(C)n[nH]2)CC1 ZINC000541120623 504015884 /nfs/dbraw/zinc/01/58/84/504015884.db2.gz RMKHIZXKHQOFJQ-IBGZPJMESA-N 0 3 355.482 3.066 20 30 FGEDHN C[C@@H](NC(=O)N(C)CCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541157275 504025581 /nfs/dbraw/zinc/02/55/81/504025581.db2.gz CTZDYFZECORZIP-MRXNPFEDSA-N 0 3 350.466 3.489 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528032838 504046805 /nfs/dbraw/zinc/04/68/05/504046805.db2.gz LQQHEXDUDVLEGW-GOSISDBHSA-N 0 3 357.498 3.042 20 30 FGEDHN CC(C)(C#N)c1ccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000530811559 504094404 /nfs/dbraw/zinc/09/44/04/504094404.db2.gz WYLKSWMVTLKYCY-JOCHJYFZSA-N 0 3 363.461 3.063 20 30 FGEDHN COC[C@@]1(CN[C@@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000519036816 504124898 /nfs/dbraw/zinc/12/48/98/504124898.db2.gz HXIWAYRPZGUCOQ-YCRPNKLZSA-N 0 3 354.425 3.463 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000538198626 504159699 /nfs/dbraw/zinc/15/96/99/504159699.db2.gz RIBGQPJWDIJJOX-UHFFFAOYSA-N 0 3 365.477 3.083 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](COCC(C)C)c2ccco2)CC1 ZINC000519282752 504182463 /nfs/dbraw/zinc/18/24/63/504182463.db2.gz NVSBMYYQNWKTGQ-SFHVURJKSA-N 0 3 363.502 3.333 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000528352300 504182877 /nfs/dbraw/zinc/18/28/77/504182877.db2.gz BWXFFVXDMXJXNA-VQTJNVASSA-N 0 3 354.425 3.144 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cn3cccn3)cc2)CC1 ZINC000519287663 504183791 /nfs/dbraw/zinc/18/37/91/504183791.db2.gz NDUXSLLXDZBDEW-UHFFFAOYSA-N 0 3 353.470 3.093 20 30 FGEDHN Cc1cccc(C)c1OC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C ZINC000538321587 504205400 /nfs/dbraw/zinc/20/54/00/504205400.db2.gz QOEOQTKDMNUORC-AVRDEDQJSA-N 0 3 371.525 3.495 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc([C@H](C)c3ccccc3)n[nH]2)CC1 ZINC000528448030 504228936 /nfs/dbraw/zinc/22/89/36/504228936.db2.gz JSKYOCUKGIQEDM-MRXNPFEDSA-N 0 3 352.482 3.332 20 30 FGEDHN CC#CCCNC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000541772741 504249339 /nfs/dbraw/zinc/24/93/39/504249339.db2.gz KKOMYBBZVMXCNL-IBGZPJMESA-N 0 3 365.481 3.173 20 30 FGEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1NC(=O)NC(C)(C)C ZINC000544814776 504267591 /nfs/dbraw/zinc/26/75/91/504267591.db2.gz HXDLBFOPZXHICS-AWEZNQCLSA-N 0 3 351.410 3.195 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000528616397 504297159 /nfs/dbraw/zinc/29/71/59/504297159.db2.gz LQQRDLCRQFEQOU-LAUBAEHRSA-N 0 3 362.477 3.007 20 30 FGEDHN COC(=O)CCC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000538715197 504338230 /nfs/dbraw/zinc/33/82/30/504338230.db2.gz XERAOEOOWHFBCA-UHFFFAOYSA-N 0 3 366.465 3.124 20 30 FGEDHN N#Cc1ccc(CN(C(=O)Nc2ccc3c(c2)OCCNC3)C2CC2)cc1 ZINC000528711592 504343650 /nfs/dbraw/zinc/34/36/50/504343650.db2.gz CAZUFOBCIWZEOG-UHFFFAOYSA-N 0 3 362.433 3.237 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000538729223 504345836 /nfs/dbraw/zinc/34/58/36/504345836.db2.gz ZCDSFIYCWZHRSS-IBGZPJMESA-N 0 3 372.509 3.485 20 30 FGEDHN COc1cccc(OCCNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528779217 504376350 /nfs/dbraw/zinc/37/63/50/504376350.db2.gz SMTFJFJVZHPKPQ-UHFFFAOYSA-N 0 3 352.434 3.241 20 30 FGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cnn(C2CC2)c1 ZINC000528916181 504448821 /nfs/dbraw/zinc/44/88/21/504448821.db2.gz DERNMGMMLYGINN-QGZVFWFLSA-N 0 3 350.422 3.304 20 30 FGEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000539241552 504509678 /nfs/dbraw/zinc/50/96/78/504509678.db2.gz XAMFPUNTVUAVLU-SFTDATJTSA-N 0 3 370.541 3.152 20 30 FGEDHN C=CCOc1cccnc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000539296917 504523504 /nfs/dbraw/zinc/52/35/04/504523504.db2.gz COMZIDAAWZLROO-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN N#CCNC(=O)CN[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000542530052 504527680 /nfs/dbraw/zinc/52/76/80/504527680.db2.gz CWVKBKWJRRFBDL-ZBFHGGJFSA-N 0 3 353.388 3.351 20 30 FGEDHN C=CCc1ccc(OCC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000520760044 504575952 /nfs/dbraw/zinc/57/59/52/504575952.db2.gz JTTAMYCXOYTKFZ-CALCHBBNSA-N 0 3 360.498 3.182 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Nc3ccccc3)n2)CC1 ZINC000529211421 504586827 /nfs/dbraw/zinc/58/68/27/504586827.db2.gz LHCPIAYWTBJCTE-UHFFFAOYSA-N 0 3 351.454 3.019 20 30 FGEDHN COCc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1C#N ZINC000529214485 504587250 /nfs/dbraw/zinc/58/72/50/504587250.db2.gz VBSZFKKSBBGAHE-UHFFFAOYSA-N 0 3 370.497 3.434 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccccc2OC(F)(F)F)s1 ZINC000539511228 504595686 /nfs/dbraw/zinc/59/56/86/504595686.db2.gz DWYUYCWTMXMAHB-GFCCVEGCSA-N 0 3 370.396 3.459 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)CC1 ZINC000536136134 504644184 /nfs/dbraw/zinc/64/41/84/504644184.db2.gz PKFFKSRGYFAZHI-JQHSSLGASA-N 0 3 351.535 3.166 20 30 FGEDHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934849 504665148 /nfs/dbraw/zinc/66/51/48/504665148.db2.gz YTLUSBSGCQJHOS-HUUCEWRRSA-N 0 3 364.449 3.110 20 30 FGEDHN CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(OC)cc1OC ZINC000532503543 504674244 /nfs/dbraw/zinc/67/42/44/504674244.db2.gz YIWFBRUAZACWRK-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc2c1OCCO2)C(C)C ZINC000536270774 504684327 /nfs/dbraw/zinc/68/43/27/504684327.db2.gz VZVAQCPNCAZLLA-KRWDZBQOSA-N 0 3 359.470 3.278 20 30 FGEDHN CCO[C@@H]1COCC[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000546058848 504693641 /nfs/dbraw/zinc/69/36/41/504693641.db2.gz CTQKHMLDLVZDRX-FGZHOGPDSA-N 0 3 366.461 3.421 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccccc3)CCCC2)cc1 ZINC000562312935 504780148 /nfs/dbraw/zinc/78/01/48/504780148.db2.gz JJTITLRINNFDGR-UHFFFAOYSA-N 0 3 368.502 3.434 20 30 FGEDHN CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C#N)N(C)C)cc1 ZINC000549284107 504782563 /nfs/dbraw/zinc/78/25/63/504782563.db2.gz KIJCZYSWCSIBAT-INIZCTEOSA-N 0 3 357.439 3.298 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC2CC2)CC1 ZINC000549676194 504872087 /nfs/dbraw/zinc/87/20/87/504872087.db2.gz ZQBONQUDNJCZTI-UHFFFAOYSA-N 0 3 367.497 3.062 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)CN1CC[C@H](C)C1 ZINC000553419555 504910641 /nfs/dbraw/zinc/91/06/41/504910641.db2.gz YZHNWLMFUHMATO-ZDUSSCGKSA-N 0 3 369.278 3.445 20 30 FGEDHN N#Cc1c(F)cccc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000559795082 504929188 /nfs/dbraw/zinc/92/91/88/504929188.db2.gz IGJWONHDOHSWNH-IBGZPJMESA-N 0 3 364.468 3.094 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000562855623 504967011 /nfs/dbraw/zinc/96/70/11/504967011.db2.gz IZILYNVRMOTQDU-APWZRJJASA-N 0 3 365.452 3.409 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N(C[C@@H]3CCCO3)C3CCCC3)C2=O)cc1 ZINC000560017563 504970853 /nfs/dbraw/zinc/97/08/53/504970853.db2.gz BPTIFDSOPQDBOE-LEWJYISDSA-N 0 3 367.493 3.477 20 30 FGEDHN N#Cc1cnn2cc(CNCCc3csc(-c4ccccc4)n3)cnc12 ZINC000550156630 504979521 /nfs/dbraw/zinc/97/95/21/504979521.db2.gz FVQYKTBHVHQRGN-UHFFFAOYSA-N 0 3 360.446 3.057 20 30 FGEDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(CC#N)cc1 ZINC000565774683 504983305 /nfs/dbraw/zinc/98/33/05/504983305.db2.gz KSURLTRZCODNCG-AWEZNQCLSA-N 0 3 352.394 3.168 20 30 FGEDHN Cc1ccc(C(C)(C)NCC#CCNC(C)(C)c2ccc(C)nc2)cn1 ZINC000560162343 505007687 /nfs/dbraw/zinc/00/76/87/505007687.db2.gz PGSILCVPFFEFBL-UHFFFAOYSA-N 0 3 350.510 3.446 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCc3sc(Cl)cc32)cc1 ZINC000563013028 505020388 /nfs/dbraw/zinc/02/03/88/505020388.db2.gz ZELFWSYYSQYNRA-XJKSGUPXSA-N 0 3 362.882 3.484 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)n2c1 ZINC000560257065 505030782 /nfs/dbraw/zinc/03/07/82/505030782.db2.gz JZQARGGJAVCBQG-PKOBYXMFSA-N 0 3 354.360 3.104 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1C#N ZINC000560328729 505047415 /nfs/dbraw/zinc/04/74/15/505047415.db2.gz TUKAUKAZOCFOPP-ZDUSSCGKSA-N 0 3 370.522 3.109 20 30 FGEDHN C=CCn1c(CC(F)(F)F)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000563126670 505055946 /nfs/dbraw/zinc/05/59/46/505055946.db2.gz HJIYGAKSLJZXST-UHFFFAOYSA-N 0 3 359.440 3.127 20 30 FGEDHN C[C@@H]1[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC000566045021 505063391 /nfs/dbraw/zinc/06/33/91/505063391.db2.gz DOPYZSVFPDXEAT-IRNNPGBSSA-N 0 3 359.473 3.441 20 30 FGEDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000566054745 505067428 /nfs/dbraw/zinc/06/74/28/505067428.db2.gz SVJUAPVVKXQRFQ-WQVCFCJDSA-N 0 3 361.511 3.373 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1cscc1C#N)c1ccccc1 ZINC000550693936 505085264 /nfs/dbraw/zinc/08/52/64/505085264.db2.gz XMCHAWKAPMNXEH-SFHVURJKSA-N 0 3 357.479 3.059 20 30 FGEDHN COc1cc(CNC[C@@H](O)Cc2ccccc2C(F)(F)F)ccc1C#N ZINC000566130272 505091280 /nfs/dbraw/zinc/09/12/80/505091280.db2.gz NYUKZUYXSDGXRE-INIZCTEOSA-N 0 3 364.367 3.279 20 30 FGEDHN COc1cc(CNC[C@H](O)Cc2ccccc2C(F)(F)F)ccc1C#N ZINC000566130273 505091320 /nfs/dbraw/zinc/09/13/20/505091320.db2.gz NYUKZUYXSDGXRE-MRXNPFEDSA-N 0 3 364.367 3.279 20 30 FGEDHN O=C(NCC#Cc1ccccc1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000563298526 505100075 /nfs/dbraw/zinc/10/00/75/505100075.db2.gz OKCCOASLXOPUKL-PKTZIBPZSA-N 0 3 373.500 3.202 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCC1 ZINC000560494141 505103186 /nfs/dbraw/zinc/10/31/86/505103186.db2.gz FJVMPUMMNKGNSN-JKSUJKDBSA-N 0 3 365.399 3.494 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCC1 ZINC000560494138 505103486 /nfs/dbraw/zinc/10/34/86/505103486.db2.gz FJVMPUMMNKGNSN-HOTGVXAUSA-N 0 3 365.399 3.494 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000557517267 505154374 /nfs/dbraw/zinc/15/43/74/505154374.db2.gz HQWOIWKWEBNQSB-VLIAUNLRSA-N 0 3 369.490 3.195 20 30 FGEDHN C=CCN(CCc1c(C)nc2ccccn2c1=O)Cc1ccc(OC)cc1 ZINC000551090328 505155983 /nfs/dbraw/zinc/15/59/83/505155983.db2.gz RHMCDAOXISAHNY-UHFFFAOYSA-N 0 3 363.461 3.242 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)CC2 ZINC000557535313 505160441 /nfs/dbraw/zinc/16/04/41/505160441.db2.gz BPTWJLQZAKOFJC-VXKWHMMOSA-N 0 3 359.473 3.369 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551263203 505188092 /nfs/dbraw/zinc/18/80/92/505188092.db2.gz JGDWUORJCLKGAV-FOIQADDNSA-N 0 3 351.425 3.338 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1OC ZINC000563744792 505226327 /nfs/dbraw/zinc/22/63/27/505226327.db2.gz WCGGMBKZYJMCSB-SFHVURJKSA-N 0 3 372.440 3.432 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000563952291 505286822 /nfs/dbraw/zinc/28/68/22/505286822.db2.gz FARIJHZINHLTRW-UHFFFAOYSA-N 0 3 374.893 3.307 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCCOc2ccc3ccccc3c2)cc1 ZINC000563978791 505293125 /nfs/dbraw/zinc/29/31/25/505293125.db2.gz OQEPBQUUBZVWON-HXUWFJFHSA-N 0 3 362.429 3.120 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000561259170 505296922 /nfs/dbraw/zinc/29/69/22/505296922.db2.gz LWRAPVGTIJJJMG-WBVHZDCISA-N 0 3 354.372 3.065 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000564113044 505329326 /nfs/dbraw/zinc/32/93/26/505329326.db2.gz NGKWTNPAKDAZTK-QHCPKHFHSA-N 0 3 374.488 3.366 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000564384046 505402667 /nfs/dbraw/zinc/40/26/67/505402667.db2.gz GSGKFDLPBXFYNG-CVEARBPZSA-N 0 3 357.477 3.113 20 30 FGEDHN N#Cc1ccc(CNCCc2nnc3n2CCCCC3)c(C(F)(F)F)c1 ZINC000564415474 505413329 /nfs/dbraw/zinc/41/33/29/505413329.db2.gz QCUMGMNLQUFVHH-UHFFFAOYSA-N 0 3 363.387 3.227 20 30 FGEDHN C[C@@H](N[C@@H]1CCCC12CCOCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000558629003 505445080 /nfs/dbraw/zinc/44/50/80/505445080.db2.gz GSAPOYMUAMQUGI-CXAGYDPISA-N 0 3 373.522 3.374 20 30 FGEDHN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H](O)CC2(C#N)CCOCC2)C2CC2)o1 ZINC000599252774 506385991 /nfs/dbraw/zinc/38/59/91/506385991.db2.gz RUNHIYXQMXLVNZ-SZVBFZGTSA-N 0 3 358.482 3.439 20 30 FGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1C#N ZINC000599270582 506391750 /nfs/dbraw/zinc/39/17/50/506391750.db2.gz OSGPWYKEAMLLQQ-IBGZPJMESA-N 0 3 369.421 3.117 20 30 FGEDHN C[C@@H]1SCCN(C[C@@H](O)COc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000599303982 506405002 /nfs/dbraw/zinc/40/50/02/506405002.db2.gz NZFOEHYGFZQFJD-SCWSEQNSSA-N 0 3 368.502 3.477 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C(F)F)CCCC2)cc1 ZINC000589007363 506410090 /nfs/dbraw/zinc/41/00/90/506410090.db2.gz OQGOMBTXVMNJSY-LLVKDONJSA-N 0 3 371.409 3.072 20 30 FGEDHN CC(C)(C(=O)N1CCCN(c2ccncc2)CC1)c1cc(F)cc(C#N)c1 ZINC000603083257 506414584 /nfs/dbraw/zinc/41/45/84/506414584.db2.gz JCXFGBPUGRYNOA-UHFFFAOYSA-N 0 3 366.440 3.109 20 30 FGEDHN CC(C)Oc1cccc([C@@H](C)NC[C@H](O)COc2ccccc2C#N)c1 ZINC000599350437 506423094 /nfs/dbraw/zinc/42/30/94/506423094.db2.gz SHTUWHIEOGDZTI-APWZRJJASA-N 0 3 354.450 3.436 20 30 FGEDHN N#CC1(C[C@H](O)CNC2(c3ccc(F)cc3F)CCCC2)CCOCC1 ZINC000599355288 506425759 /nfs/dbraw/zinc/42/57/59/506425759.db2.gz XUANXCKIXRUWIG-INIZCTEOSA-N 0 3 364.436 3.395 20 30 FGEDHN CC(C)(C)c1ccc2c(c1)CN(C[C@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599357859 506426085 /nfs/dbraw/zinc/42/60/85/506426085.db2.gz XILUJKITENBHKY-HXUWFJFHSA-N 0 3 356.510 3.414 20 30 FGEDHN CN(CCN1CCCCC1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000593154583 506429048 /nfs/dbraw/zinc/42/90/48/506429048.db2.gz LRUNORGKISFCMW-UHFFFAOYSA-N 0 3 352.385 3.109 20 30 FGEDHN Cc1ccc(NC(=O)N2Cc3cccc(C#N)c3C2)c(OCCN(C)C)c1 ZINC000593161916 506432710 /nfs/dbraw/zinc/43/27/10/506432710.db2.gz ICMZZCYWSJGEPV-UHFFFAOYSA-N 0 3 364.449 3.355 20 30 FGEDHN CCOC(=O)[C@H](CC(C)C)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593183671 506447499 /nfs/dbraw/zinc/44/74/99/506447499.db2.gz GGPWHMAGBZPZOO-FQEVSTJZSA-N 0 3 357.498 3.090 20 30 FGEDHN CC[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)COc1ccccc1C#N ZINC000599421036 506449294 /nfs/dbraw/zinc/44/92/94/506449294.db2.gz KXGWWCBHMRYITJ-ICSRJNTNSA-N 0 3 354.450 3.390 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CCOCC1 ZINC000599452851 506463060 /nfs/dbraw/zinc/46/30/60/506463060.db2.gz CIVHTKCKNLUKJY-ANULTFPQSA-N 0 3 370.493 3.052 20 30 FGEDHN CN(CCCN(C)c1nc(C(F)(F)F)ccc1C#N)Cc1ccncc1 ZINC000603404364 506504986 /nfs/dbraw/zinc/50/49/86/506504986.db2.gz ZTGHRYUKNXHUHG-UHFFFAOYSA-N 0 3 363.387 3.325 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C2 ZINC000593297446 506521793 /nfs/dbraw/zinc/52/17/93/506521793.db2.gz JFVKSXYXVBMLCB-NRFANRHFSA-N 0 3 360.461 3.421 20 30 FGEDHN C=CCC1(NCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CCCCC1 ZINC000599609097 506527302 /nfs/dbraw/zinc/52/73/02/506527302.db2.gz FGVPWLFXRNWZLH-UHFFFAOYSA-N 0 3 355.438 3.491 20 30 FGEDHN CC[C@@H](CNC(=O)NCC1(C#N)CCCC1)N1CCc2ccccc2C1 ZINC000593306390 506528337 /nfs/dbraw/zinc/52/83/37/506528337.db2.gz WOBXIPKMMVGPJF-IBGZPJMESA-N 0 3 354.498 3.206 20 30 FGEDHN CC(C)(NC(=O)Nc1ccc2c(c1)OCCNC2)c1cccc(C#N)c1 ZINC000599612441 506530066 /nfs/dbraw/zinc/53/00/66/506530066.db2.gz GAINJEIGNDONDJ-UHFFFAOYSA-N 0 3 350.422 3.097 20 30 FGEDHN N#Cc1cccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000589439600 506549873 /nfs/dbraw/zinc/54/98/73/506549873.db2.gz IDOQJZZDRUMBHE-JOCHJYFZSA-N 0 3 360.461 3.082 20 30 FGEDHN N#Cc1ccccc1OCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000583076359 506578494 /nfs/dbraw/zinc/57/84/94/506578494.db2.gz BRJWTYLAXCSBBG-UHFFFAOYSA-N 0 3 358.445 3.307 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593370279 506580553 /nfs/dbraw/zinc/58/05/53/506580553.db2.gz KNVDNTKKSHRURX-VGSWGCGISA-N 0 3 374.488 3.494 20 30 FGEDHN N#CC1(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000593396917 506599521 /nfs/dbraw/zinc/59/95/21/506599521.db2.gz JNEURKUQUMZGSV-UHFFFAOYSA-N 0 3 372.435 3.175 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)[C@H]2CCCO2)c1C#N ZINC000612503583 506599889 /nfs/dbraw/zinc/59/98/89/506599889.db2.gz IYZDVSAEUKEHMZ-KBXCAEBGSA-N 0 3 358.486 3.187 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCC2(C#N)CCCC2)N(C)C)cc1 ZINC000593409932 506605347 /nfs/dbraw/zinc/60/53/47/506605347.db2.gz GFWDSAWVVPXYPH-LJQANCHMSA-N 0 3 372.513 3.460 20 30 FGEDHN C[C@H]1CCN(C(=O)NCC2(C#N)CCCC2)CCN1Cc1ccccc1 ZINC000593426625 506614111 /nfs/dbraw/zinc/61/41/11/506614111.db2.gz HFBMZNPRAMRHAM-SFHVURJKSA-N 0 3 354.498 3.376 20 30 FGEDHN CCN(C(=O)NCC1(C#N)CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593428598 506615830 /nfs/dbraw/zinc/61/58/30/506615830.db2.gz IATQOZNCEUXIKP-IBGZPJMESA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)c1 ZINC000603777309 506615747 /nfs/dbraw/zinc/61/57/47/506615747.db2.gz SBDJVDOXTVRERG-UHFFFAOYSA-N 0 3 361.511 3.025 20 30 FGEDHN COc1ccc([C@@H](CNc2nc3c(cc2C#N)CCC3)N(C)C)cc1OC ZINC000603837183 506629301 /nfs/dbraw/zinc/62/93/01/506629301.db2.gz CDXBUGMGQNSRNV-GOSISDBHSA-N 0 3 366.465 3.174 20 30 FGEDHN CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CCN(C)C1 ZINC000596911679 506673013 /nfs/dbraw/zinc/67/30/13/506673013.db2.gz ZSJVUZMDXUKVRV-QGZVFWFLSA-N 0 3 365.437 3.303 20 30 FGEDHN C[C@H]1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCN(C2CCC2)C1 ZINC000589923435 506679970 /nfs/dbraw/zinc/67/99/70/506679970.db2.gz FTELEMWMJNDITG-FOIQADDNSA-N 0 3 352.482 3.061 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000596972663 506705838 /nfs/dbraw/zinc/70/58/38/506705838.db2.gz DXCNRKUBXVXLOX-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1nc(C(F)(F)F)no1 ZINC000600030097 506751138 /nfs/dbraw/zinc/75/11/38/506751138.db2.gz AYXVSPWZWXCLGB-JQWIXIFHSA-N 0 3 352.316 3.038 20 30 FGEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2n1CC#N ZINC000609165068 506800209 /nfs/dbraw/zinc/80/02/09/506800209.db2.gz FIGVJDCMNLOWFA-IBGZPJMESA-N 0 3 360.461 3.068 20 30 FGEDHN COc1cccc([C@H](CNC(=O)C(C#N)CCc2ccccc2)OC)c1 ZINC000600166084 506816237 /nfs/dbraw/zinc/81/62/37/506816237.db2.gz VPNNVFZUMGITBW-ICSRJNTNSA-N 0 3 352.434 3.271 20 30 FGEDHN N#CCCN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc(F)cc1 ZINC000597178680 506816408 /nfs/dbraw/zinc/81/64/08/506816408.db2.gz AANTYGRPHWJPKF-CABCVRRESA-N 0 3 374.334 3.056 20 30 FGEDHN CN1C[C@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@@H]2C1 ZINC000590443662 506824961 /nfs/dbraw/zinc/82/49/61/506824961.db2.gz KBXFURDVSCETNB-WIYYLYMNSA-N 0 3 361.445 3.321 20 30 FGEDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000590445640 506826705 /nfs/dbraw/zinc/82/67/05/506826705.db2.gz QFZNEZWUGKXNJT-KXBFYZLASA-N 0 3 365.408 3.266 20 30 FGEDHN Cc1nc(SCC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000604440502 506833649 /nfs/dbraw/zinc/83/36/49/506833649.db2.gz FHKKSKHNRGKDNQ-KBPBESRZSA-N 0 3 374.554 3.207 20 30 FGEDHN CCC(CC)Nc1ccncc1NC(=O)COc1ccc(C#N)cc1OC ZINC000590556404 506859188 /nfs/dbraw/zinc/85/91/88/506859188.db2.gz HLHIKBSFWLIXIM-UHFFFAOYSA-N 0 3 368.437 3.002 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000609346735 506861637 /nfs/dbraw/zinc/86/16/37/506861637.db2.gz OFKUFMLVCITNRD-ZWOKBUDYSA-N 0 3 357.498 3.341 20 30 FGEDHN Cc1ccccc1[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000583588270 506863764 /nfs/dbraw/zinc/86/37/64/506863764.db2.gz WSAVSPLALSBJFM-LJQANCHMSA-N 0 3 357.479 3.022 20 30 FGEDHN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCC(F)(F)CC1 ZINC000594045437 506903942 /nfs/dbraw/zinc/90/39/42/506903942.db2.gz YAQKUEDOTZZKNF-ZDUSSCGKSA-N 0 3 356.438 3.136 20 30 FGEDHN COC(=O)[C@H](CNC(=O)C(C#N)CCc1ccccc1)C1CCCCC1 ZINC000600409456 506940566 /nfs/dbraw/zinc/94/05/66/506940566.db2.gz IBGUDNPNNQVXBI-RTBURBONSA-N 0 3 356.466 3.245 20 30 FGEDHN COc1ccc(CN[C@H](C(=O)N2CCCC2)C(C)C)cc1OCCCC#N ZINC000609616190 506947085 /nfs/dbraw/zinc/94/70/85/506947085.db2.gz FZMQVRLJUKDLBT-FQEVSTJZSA-N 0 3 373.497 3.114 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@@H]2CCN2C2CCCC2)c(C#N)c(C)c1C ZINC000600472138 506962489 /nfs/dbraw/zinc/96/24/89/506962489.db2.gz MYQPEKHBZFHIHH-KRWDZBQOSA-N 0 3 372.538 3.104 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H]1c1ccco1)C(C)C ZINC000604914364 506986236 /nfs/dbraw/zinc/98/62/36/506986236.db2.gz GZOZEPQLJLAUAO-MSOLQXFVSA-N 0 3 361.486 3.061 20 30 FGEDHN Cc1nc(SCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c(C#N)c(C)c1C ZINC000594197341 507001223 /nfs/dbraw/zinc/00/12/23/507001223.db2.gz CISQTUKNTCUPEJ-ROUUACIJSA-N 0 3 372.538 3.104 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594264939 507050020 /nfs/dbraw/zinc/05/00/20/507050020.db2.gz GZNBQHXKYGXWMB-INIZCTEOSA-N 0 3 365.481 3.229 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000590947193 507053081 /nfs/dbraw/zinc/05/30/81/507053081.db2.gz GOAAQCAYVZHPCV-IBGZPJMESA-N 0 3 366.440 3.113 20 30 FGEDHN N#Cc1ccc(CN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C2CC2)cc1 ZINC000594283992 507063592 /nfs/dbraw/zinc/06/35/92/507063592.db2.gz PNELQKGXQYEXON-UXHICEINSA-N 0 3 352.482 3.249 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000597697748 507064899 /nfs/dbraw/zinc/06/48/99/507064899.db2.gz ZVLIAFWTNZBZEA-SJORKVTESA-N 0 3 369.490 3.017 20 30 FGEDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000613389659 507065886 /nfs/dbraw/zinc/06/58/86/507065886.db2.gz JKUUEZYNVNDBME-TYILLQQXSA-N 0 3 371.868 3.293 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2ccccc2OC2CCCC2)CCOCC1 ZINC000600714716 507077940 /nfs/dbraw/zinc/07/79/40/507077940.db2.gz BZIQZNAEIFKLJR-GOSISDBHSA-N 0 3 358.482 3.169 20 30 FGEDHN COc1cccc(C2(NCCOc3ccccc3C#N)CCOCC2)c1F ZINC000583974301 507078836 /nfs/dbraw/zinc/07/88/36/507078836.db2.gz OXZHNJAXVGLTBA-UHFFFAOYSA-N 0 3 370.424 3.380 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000600719071 507079594 /nfs/dbraw/zinc/07/95/94/507079594.db2.gz CJCZDEBDCKUSTJ-HXUWFJFHSA-N 0 3 373.460 3.079 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2ccc(OC3CCCC3)cc2)CCOCC1 ZINC000600725986 507084804 /nfs/dbraw/zinc/08/48/04/507084804.db2.gz ZOTFOKJUQXNDPO-GOSISDBHSA-N 0 3 358.482 3.169 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594410888 507120105 /nfs/dbraw/zinc/12/01/05/507120105.db2.gz FJBNHGNSNVCKLZ-HRCADAONSA-N 0 3 354.372 3.375 20 30 FGEDHN CCCC(=O)Nc1nc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2s1 ZINC000594428045 507127328 /nfs/dbraw/zinc/12/73/28/507127328.db2.gz KTMDODUMGQQEDF-ZDUSSCGKSA-N 0 3 373.482 3.385 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000594429596 507129080 /nfs/dbraw/zinc/12/90/80/507129080.db2.gz ULRJWOLTBTUMOO-DYVFJYSZSA-N 0 3 351.853 3.424 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000594435120 507130977 /nfs/dbraw/zinc/13/09/77/507130977.db2.gz ARHIHIXDPVANNL-JKSUJKDBSA-N 0 3 370.280 3.305 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000594437969 507132828 /nfs/dbraw/zinc/13/28/28/507132828.db2.gz LRCDQEZAQHBNPM-HXUWFJFHSA-N 0 3 368.456 3.203 20 30 FGEDHN Cc1cccc(CN(Cc2ccccn2)C(=O)[C@H](N)CCCCC#N)c1 ZINC000594438634 507132889 /nfs/dbraw/zinc/13/28/89/507132889.db2.gz PDAOSSFHFNLJON-HXUWFJFHSA-N 0 3 350.466 3.330 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000594440335 507133359 /nfs/dbraw/zinc/13/33/59/507133359.db2.gz XMHFWKMLGGNWLF-SFHVURJKSA-N 0 3 371.485 3.444 20 30 FGEDHN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cc2)n1 ZINC000594440040 507133487 /nfs/dbraw/zinc/13/34/87/507133487.db2.gz YPKWTQXYAWNZLW-VQIMIIECSA-N 0 3 353.470 3.078 20 30 FGEDHN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594439370 507133609 /nfs/dbraw/zinc/13/36/09/507133609.db2.gz VEVLXKLSIGXQAE-GOSISDBHSA-N 0 3 371.510 3.125 20 30 FGEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000594441955 507135863 /nfs/dbraw/zinc/13/58/63/507135863.db2.gz ZAFVWFIAHRXRSW-OXQOHEQNSA-N 0 3 366.465 3.249 20 30 FGEDHN COc1cc(C)c(Br)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594446245 507136327 /nfs/dbraw/zinc/13/63/27/507136327.db2.gz OPTKKKGWEOVPNI-GFCCVEGCSA-N 0 3 354.248 3.116 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000594446104 507137310 /nfs/dbraw/zinc/13/73/10/507137310.db2.gz PKELFCYQMAXOEM-XJKSGUPXSA-N 0 3 370.280 3.384 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000594447186 507137320 /nfs/dbraw/zinc/13/73/20/507137320.db2.gz UYVFHIKKBJXCFB-CABCVRRESA-N 0 3 360.527 3.139 20 30 FGEDHN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN(C)C1CCC1 ZINC000600830148 507139743 /nfs/dbraw/zinc/13/97/43/507139743.db2.gz QNZHSJPYYSYNGL-CYBMUJFWSA-N 0 3 353.388 3.430 20 30 FGEDHN C=CCOc1ccc(CNCCNc2ccc3ccccc3n2)cc1OC ZINC000584088071 507144615 /nfs/dbraw/zinc/14/46/15/507144615.db2.gz IEQKASUYGNBZLY-UHFFFAOYSA-N 0 3 363.461 3.432 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000597922766 507175624 /nfs/dbraw/zinc/17/56/24/507175624.db2.gz LJHAZLYXNMMBSQ-KRWDZBQOSA-N 0 3 364.449 3.348 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2ccnn2C)c1 ZINC000584176626 507196195 /nfs/dbraw/zinc/19/61/95/507196195.db2.gz PEBMCTXHFQPLEU-LJQANCHMSA-N 0 3 373.460 3.316 20 30 FGEDHN N#Cc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)ccc1Cl ZINC000598062966 507239110 /nfs/dbraw/zinc/23/91/10/507239110.db2.gz YQLNNIMMBPRNQQ-UHFFFAOYSA-N 0 3 368.868 3.249 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000613760889 507245869 /nfs/dbraw/zinc/24/58/69/507245869.db2.gz IGSXZVMTVMIABJ-UHFFFAOYSA-N 0 3 365.437 3.303 20 30 FGEDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594964698 507335642 /nfs/dbraw/zinc/33/56/42/507335642.db2.gz MHUYQUFXYYRGHU-ANSQWYIGSA-N 0 3 370.522 3.243 20 30 FGEDHN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000598239583 507336917 /nfs/dbraw/zinc/33/69/17/507336917.db2.gz VRFFWCYZMVXXQT-XUVXKRRUSA-N 0 3 350.466 3.020 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000591733941 507343383 /nfs/dbraw/zinc/34/33/83/507343383.db2.gz OUFPDYKFYQVGJB-INIZCTEOSA-N 0 3 352.331 3.409 20 30 FGEDHN CO[C@H](CNC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000591754169 507347590 /nfs/dbraw/zinc/34/75/90/507347590.db2.gz GUOQJINOTIPYCT-OXJNMPFZSA-N 0 3 374.868 3.123 20 30 FGEDHN Cc1cc2ncn(C[C@@H](O)CN[C@@H]3CCc4cc(C#N)ccc43)c2cc1C ZINC000591763879 507352126 /nfs/dbraw/zinc/35/21/26/507352126.db2.gz PDYRVOXMCOIDMH-AZUAARDMSA-N 0 3 360.461 3.163 20 30 FGEDHN COc1ccc([C@@H](Cc2ccccc2)NCCC(=O)N(C)CCC#N)cc1 ZINC000584498751 507378929 /nfs/dbraw/zinc/37/89/29/507378929.db2.gz DHRZYMVYYKTNOC-OAQYLSRUSA-N 0 3 365.477 3.331 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000601619314 507404696 /nfs/dbraw/zinc/40/46/96/507404696.db2.gz ALYWYDFHGGNRBM-AWEZNQCLSA-N 0 3 353.422 3.034 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)Nc3ccc([C@H]4CNCCO4)cc3)CC2)c1 ZINC000595234558 507434652 /nfs/dbraw/zinc/43/46/52/507434652.db2.gz LKENGVCWEQCUMF-LJQANCHMSA-N 0 3 362.433 3.030 20 30 FGEDHN N#Cc1ccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1Cl ZINC000595249359 507438016 /nfs/dbraw/zinc/43/80/16/507438016.db2.gz WENORKUDFBVACY-SFHVURJKSA-N 0 3 370.840 3.194 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC000595257183 507442628 /nfs/dbraw/zinc/44/26/28/507442628.db2.gz IBHWYTFGUSHUGM-OAHLLOKOSA-N 0 3 364.421 3.362 20 30 FGEDHN C[C@@](CO)(Cc1ccccc1F)NC(=O)C(C#N)CCc1ccccc1 ZINC000601853881 507488793 /nfs/dbraw/zinc/48/87/93/507488793.db2.gz YSXVWKISWTUBNB-NQIIRXRSSA-N 0 3 354.425 3.008 20 30 FGEDHN CC(C)(CCNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000611080589 507505861 /nfs/dbraw/zinc/50/58/61/507505861.db2.gz IZAMZTUWHGAILD-UHFFFAOYSA-N 0 3 356.491 3.289 20 30 FGEDHN N#Cc1cc(Cl)c(C(=O)N2CCN(c3ccncc3)CC2)c(Cl)c1 ZINC000611092590 507512698 /nfs/dbraw/zinc/51/26/98/507512698.db2.gz BEOYNUDDKCYQJV-UHFFFAOYSA-N 0 3 361.232 3.222 20 30 FGEDHN CC(C)[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CO)CC=CC1 ZINC000592178036 507525687 /nfs/dbraw/zinc/52/56/87/507525687.db2.gz KPOJQHGWMJFNCX-SFHVURJKSA-N 0 3 361.873 3.093 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(CCO)CCCC1 ZINC000595509422 507538559 /nfs/dbraw/zinc/53/85/59/507538559.db2.gz TYKVNYFPKMXABF-OAHLLOKOSA-N 0 3 361.511 3.162 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CC[C@@H](C(F)F)C2)sc2c1CCCC2 ZINC000611179973 507549813 /nfs/dbraw/zinc/54/98/13/507549813.db2.gz OZCQYYSCHJGCJC-LLVKDONJSA-N 0 3 353.438 3.414 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN[C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000602014411 507555835 /nfs/dbraw/zinc/55/58/35/507555835.db2.gz CTZOGSNTVSPKOW-IBGZPJMESA-N 0 3 354.475 3.282 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCOc2ccc(Br)cc21 ZINC000598701453 507558175 /nfs/dbraw/zinc/55/81/75/507558175.db2.gz VSHPYLSWJJFRDR-GXTWGEPZSA-N 0 3 353.260 3.163 20 30 FGEDHN C[C@@]1(C#N)CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000595603065 507584557 /nfs/dbraw/zinc/58/45/57/507584557.db2.gz XIBQYXOZSKKLHG-RXVVDRJESA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@]1(C#N)CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000595603061 507585230 /nfs/dbraw/zinc/58/52/30/507585230.db2.gz XIBQYXOZSKKLHG-GHTZIAJQSA-N 0 3 354.498 3.232 20 30 FGEDHN COc1cc(CCNC(=O)C(C)C#N)cc(OC)c1OCc1ccccc1 ZINC000598777806 507596666 /nfs/dbraw/zinc/59/66/66/507596666.db2.gz BGYGUINUWQRLKE-HNNXBMFYSA-N 0 3 368.433 3.101 20 30 FGEDHN CC(C)(NCCC(=O)N1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000595636593 507607751 /nfs/dbraw/zinc/60/77/51/507607751.db2.gz RWLGXDPKLPDZQT-UHFFFAOYSA-N 0 3 353.491 3.419 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000598806719 507611042 /nfs/dbraw/zinc/61/10/42/507611042.db2.gz CRIWSYMWEQJZQP-STQMWFEESA-N 0 3 373.375 3.037 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2N2CCCC2)CC1 ZINC000592348736 507611458 /nfs/dbraw/zinc/61/14/58/507611458.db2.gz QNCMICNNIASYEU-UHFFFAOYSA-N 0 3 356.514 3.127 20 30 FGEDHN CS(=O)(=O)c1cc(CN[C@H]2CCC[C@@H](C#N)C2)cc(C(F)(F)F)c1 ZINC000585765098 507620002 /nfs/dbraw/zinc/62/00/02/507620002.db2.gz GAXGCNWWLYLBDP-RISCZKNCSA-N 0 3 360.401 3.281 20 30 FGEDHN N#Cc1ccc2ncc(CNCC[C@@H]3CSc4ccccc4O3)n2c1 ZINC000592372621 507624013 /nfs/dbraw/zinc/62/40/13/507624013.db2.gz DIBSQDCBXKZZEL-MRXNPFEDSA-N 0 3 350.447 3.239 20 30 FGEDHN N#Cc1ccc2ncc(CNCC[C@H]3CSc4ccccc4O3)n2c1 ZINC000592372620 507624130 /nfs/dbraw/zinc/62/41/30/507624130.db2.gz DIBSQDCBXKZZEL-INIZCTEOSA-N 0 3 350.447 3.239 20 30 FGEDHN C[C@@H](NCC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc(C#N)cc1F ZINC000592393553 507636761 /nfs/dbraw/zinc/63/67/61/507636761.db2.gz HMGOMXVKJXWDAG-CQSZACIVSA-N 0 3 362.445 3.486 20 30 FGEDHN N#CC(CCN1CC[C@H]2NC(=O)CC[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000595729085 507649855 /nfs/dbraw/zinc/64/98/55/507649855.db2.gz PVSMPOIMMKHDLP-DENIHFKCSA-N 0 3 373.500 3.487 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000611390218 507659286 /nfs/dbraw/zinc/65/92/86/507659286.db2.gz KLVWEDPLAKOEGL-FYYLOGMGSA-N 0 3 361.489 3.426 20 30 FGEDHN N#Cc1cccc(C2(NCCOc3cccc([N+](=O)[O-])c3)CCOCC2)c1 ZINC000595772145 507677956 /nfs/dbraw/zinc/67/79/56/507677956.db2.gz FGOSHAKQQWETMU-UHFFFAOYSA-N 0 3 367.405 3.141 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000586802997 507678371 /nfs/dbraw/zinc/67/83/71/507678371.db2.gz IYMAAWPWXMSHOB-UHFFFAOYSA-N 0 3 369.852 3.421 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccnc2OCc2ccccc2)CC1 ZINC000592530571 507697823 /nfs/dbraw/zinc/69/78/23/507697823.db2.gz QQSVBOMYPZDHHO-UHFFFAOYSA-N 0 3 366.465 3.433 20 30 FGEDHN C[C@@H](CCC#N)CN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000602432182 507710012 /nfs/dbraw/zinc/71/00/12/507710012.db2.gz XCEBZRDSGVJXLQ-INIZCTEOSA-N 0 3 373.526 3.288 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NC[C@@H]3CCOc4ccccc43)C2=O)cc1 ZINC000611509147 507713008 /nfs/dbraw/zinc/71/30/08/507713008.db2.gz KRPZFXQMVHIMPX-FXAWDEMLSA-N 0 3 361.445 3.210 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC=CCC2)c1C#N ZINC000611517627 507718528 /nfs/dbraw/zinc/71/85/28/507718528.db2.gz YRSNUSVOEGFSJZ-UHFFFAOYSA-N 0 3 352.438 3.208 20 30 FGEDHN COc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)c(Cl)cc1O ZINC000602533684 507739913 /nfs/dbraw/zinc/73/99/13/507739913.db2.gz QIQJNBFJHSUIPQ-UHFFFAOYSA-N 0 3 372.856 3.079 20 30 FGEDHN COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1-c1nnn[n-]1 ZINC000826193913 607490751 /nfs/dbraw/zinc/49/07/51/607490751.db2.gz UPMVBFVWSIQBDF-UHFFFAOYSA-N 0 3 362.437 3.158 20 30 FGEDHN COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1-c1nnn[n-]1 ZINC000826193913 607490752 /nfs/dbraw/zinc/49/07/52/607490752.db2.gz UPMVBFVWSIQBDF-UHFFFAOYSA-N 0 3 362.437 3.158 20 30 FGEDHN COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826193913 607490753 /nfs/dbraw/zinc/49/07/53/607490753.db2.gz UPMVBFVWSIQBDF-UHFFFAOYSA-N 0 3 362.437 3.158 20 30 FGEDHN COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826193913 607490754 /nfs/dbraw/zinc/49/07/54/607490754.db2.gz UPMVBFVWSIQBDF-UHFFFAOYSA-N 0 3 362.437 3.158 20 30 FGEDHN CC[NH+](CC)Cc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829680134 601298335 /nfs/dbraw/zinc/29/83/35/601298335.db2.gz QPPHZOPKTZAMQA-FQEVSTJZSA-N 0 3 351.450 3.316 20 30 FGEDHN Cc1csc(C(C#N)C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)n1 ZINC000076763808 700239773 /nfs/dbraw/zinc/23/97/73/700239773.db2.gz XHUJISOWGBXEKY-HZPDHXFCSA-N 0 3 353.447 3.127 20 30 FGEDHN Cc1csc(C(C#N)C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)n1 ZINC000076763803 700239867 /nfs/dbraw/zinc/23/98/67/700239867.db2.gz XHUJISOWGBXEKY-CVEARBPZSA-N 0 3 353.447 3.127 20 30 FGEDHN C[C@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000120269542 700651665 /nfs/dbraw/zinc/65/16/65/700651665.db2.gz PSALWBWOBAAMSH-LKFCYVNXSA-N 0 3 355.221 3.456 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000121609115 700676389 /nfs/dbraw/zinc/67/63/89/700676389.db2.gz HCKJYIHDIBUNJW-OAHLLOKOSA-N 0 3 359.451 3.351 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000129836827 700792681 /nfs/dbraw/zinc/79/26/81/700792681.db2.gz GLUKKFUXFCXUHN-GXTWGEPZSA-N 0 3 352.381 3.137 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cncc(F)c1 ZINC000151615161 704930494 /nfs/dbraw/zinc/93/04/94/704930494.db2.gz DZLRVHQXLSHXIR-NSHDSACASA-N 0 3 352.152 3.489 20 30 FGEDHN CCCC[C@H](NC(=O)NCC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000157866894 705166692 /nfs/dbraw/zinc/16/66/92/705166692.db2.gz NNIZNBKBHCIQIS-STQMWFEESA-N 0 3 350.488 3.321 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CC)C(=O)N2CCOCC2)cc1 ZINC000165194249 705337861 /nfs/dbraw/zinc/33/78/61/705337861.db2.gz HLSLTXLSPSUJKI-QAPCUYQASA-N 0 3 366.889 3.106 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](CC)C(=O)N2CCOCC2)cc1 ZINC000165194134 705337960 /nfs/dbraw/zinc/33/79/60/705337960.db2.gz HLSLTXLSPSUJKI-MAUKXSAKSA-N 0 3 366.889 3.106 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCc2csc(C)n2)c1 ZINC000175103147 705532747 /nfs/dbraw/zinc/53/27/47/705532747.db2.gz OJNPFHPLWVTSRC-INIZCTEOSA-N 0 3 357.435 3.130 20 30 FGEDHN CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000193429836 712890659 /nfs/dbraw/zinc/89/06/59/712890659.db2.gz XISJZDRTFOSMQI-CQSZACIVSA-N 0 3 357.435 3.374 20 30 FGEDHN CCCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000193429836 712890661 /nfs/dbraw/zinc/89/06/61/712890661.db2.gz XISJZDRTFOSMQI-CQSZACIVSA-N 0 3 357.435 3.374 20 30 FGEDHN [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc([O-])c(F)c1 ZINC000304759632 713791770 /nfs/dbraw/zinc/79/17/70/713791770.db2.gz RJPUJSYVCHBSBV-UHFFFAOYSA-N 0 3 357.307 3.034 20 30 FGEDHN C[C@H](NC(=O)C(C#N)C(=O)COC(F)F)c1ccc(Cl)cc1Cl ZINC000802800854 724408002 /nfs/dbraw/zinc/40/80/02/724408002.db2.gz VXVOYEVRRGLAIN-OIBJUYFYSA-N 0 3 365.163 3.119 20 30 FGEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000802800775 724408035 /nfs/dbraw/zinc/40/80/35/724408035.db2.gz VBSXZJSNGOENOU-RBSFLKMASA-N 0 3 352.356 3.332 20 30 FGEDHN CCC(N=Nc1ccncc1)c1ccc(I)cc1 ZINC000779807423 724428354 /nfs/dbraw/zinc/42/83/54/724428354.db2.gz WTHSBIPHRAKTHF-UHFFFAOYSA-N 0 3 351.191 3.334 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC[C@H](C)OC ZINC000782581791 724684220 /nfs/dbraw/zinc/68/42/20/724684220.db2.gz QPVALMYTECAOEG-NWDGAFQWSA-N 0 3 352.818 3.120 20 30 FGEDHN C=CC[C@H](CO)NCc1cc(Br)cc(C)c1OC(F)F ZINC000680485300 722123464 /nfs/dbraw/zinc/12/34/64/722123464.db2.gz ZIQWXRNFMWXGAC-GFCCVEGCSA-N 0 3 350.203 3.386 20 30 FGEDHN CN1CCC[C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740473364 722536332 /nfs/dbraw/zinc/53/63/32/722536332.db2.gz LFAZNXKZEBAJKY-MRXNPFEDSA-N 0 3 354.479 3.180 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSCC(=O)OC(C)(C)C)nc21 ZINC000741442202 722545923 /nfs/dbraw/zinc/54/59/23/722545923.db2.gz DPRZTCGHAXRTTR-GFCCVEGCSA-N 0 3 359.451 3.123 20 30 FGEDHN Cc1cccc2nc(C(C#N)C(=O)CSCC(=O)OC(C)(C)C)[nH]c21 ZINC000741442202 722545924 /nfs/dbraw/zinc/54/59/24/722545924.db2.gz DPRZTCGHAXRTTR-GFCCVEGCSA-N 0 3 359.451 3.123 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCOCC1CC1 ZINC000751827470 722829251 /nfs/dbraw/zinc/82/92/51/722829251.db2.gz SLNJTHXYUCBICZ-CYBMUJFWSA-N 0 3 364.829 3.121 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2occ3c2CCC3)cc1Cl ZINC000796791199 723655120 /nfs/dbraw/zinc/65/51/20/723655120.db2.gz DDVSXNDVZPEAQJ-CYBMUJFWSA-N 0 3 358.781 3.391 20 30 FGEDHN CCCN(Cc1ccccc1O)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000772797644 723768320 /nfs/dbraw/zinc/76/83/20/723768320.db2.gz HUWHETCVXZZLJO-INIZCTEOSA-N 0 3 355.463 3.343 20 30 FGEDHN C#CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000773107989 723776713 /nfs/dbraw/zinc/77/67/13/723776713.db2.gz SMFQSLLLHRZBPE-UZLBHIALSA-N 0 3 356.491 3.352 20 30 FGEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000775575773 724002384 /nfs/dbraw/zinc/00/23/84/724002384.db2.gz YSJWIIJASPTYCN-IVMMDQJWSA-N 0 3 354.372 3.193 20 30 FGEDHN CN1C(=O)CC[C@H]1C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000784833753 724880001 /nfs/dbraw/zinc/88/00/01/724880001.db2.gz NFUMIGKKJWXVAS-KOLCDFICSA-N 0 3 367.352 3.112 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCOCC1 ZINC000786314550 724972558 /nfs/dbraw/zinc/97/25/58/724972558.db2.gz ZWIMWGRAVVTZTM-YGRLFVJLSA-N 0 3 355.221 3.457 20 30 FGEDHN Cc1ccccc1OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786537077 724987517 /nfs/dbraw/zinc/98/75/17/724987517.db2.gz HOQNZCUNLBXTDL-INIZCTEOSA-N 0 3 356.809 3.053 20 30 FGEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000805854499 725100628 /nfs/dbraw/zinc/10/06/28/725100628.db2.gz WSGDBEGCTRXDGF-BPCQOVAHSA-N 0 3 364.829 3.120 20 30 FGEDHN C#Cc1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000809610973 725251998 /nfs/dbraw/zinc/25/19/98/725251998.db2.gz LXAZJHWQNKWERX-UHFFFAOYSA-N 0 3 358.235 3.491 20 30 FGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(NS(C)(=O)=O)c1 ZINC000810213756 725297083 /nfs/dbraw/zinc/29/70/83/725297083.db2.gz HGWYSLXGYXYUOQ-ORAYPTAESA-N 0 3 355.463 3.268 20 30 FGEDHN 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COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047671756 257342469 /nfs/dbraw/zinc/34/24/69/257342469.db2.gz UYAQTWKBQUPGTJ-UHFFFAOYSA-N 0 3 352.438 3.163 20 30 FGEDHN CC(=O)c1ccc(C#N)c(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000302117550 257384071 /nfs/dbraw/zinc/38/40/71/257384071.db2.gz SCZBZFKJFXTLFV-IAGOWNOFSA-N 0 3 369.509 3.477 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000576747978 505584759 /nfs/dbraw/zinc/58/47/59/505584759.db2.gz GSJFOOPQHIXKMJ-OAQYLSRUSA-N 0 3 362.477 3.389 20 30 FGEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)C1 ZINC000576808988 505599639 /nfs/dbraw/zinc/59/96/39/505599639.db2.gz ORAYTMTVPXARQJ-OBNJBMLMSA-N 0 3 366.509 3.307 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)c2ncc(C#N)cc2C)N(C)C)cc1 ZINC000576856694 505610128 /nfs/dbraw/zinc/61/01/28/505610128.db2.gz LRSMJZVSKOZXDM-KRWDZBQOSA-N 0 3 354.479 3.016 20 30 FGEDHN CN1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCCCC2 ZINC000570940588 505617005 /nfs/dbraw/zinc/61/70/05/505617005.db2.gz WEMGMVMGGGUYBJ-UHFFFAOYSA-N 0 3 351.454 3.059 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000080883442 493787579 /nfs/dbraw/zinc/78/75/79/493787579.db2.gz NJILQDXSFJUODY-RBUKOAKNSA-N 0 3 369.534 3.140 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1 ZINC000081289857 493860670 /nfs/dbraw/zinc/86/06/70/493860670.db2.gz YAQRBFIBMAOPTG-LJQANCHMSA-N 0 3 357.523 3.172 20 30 FGEDHN C[C@@H](NCC1(c2ccccc2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000030507883 493894299 /nfs/dbraw/zinc/89/42/99/493894299.db2.gz ULLSSUWIIFKEAC-QGZVFWFLSA-N 0 3 363.461 3.223 20 30 FGEDHN Cc1ccc(C(=O)NC2CCN(CCOc3cccc(C#N)c3)CC2)s1 ZINC000051098067 493949125 /nfs/dbraw/zinc/94/91/25/493949125.db2.gz WOCWNHKRYCXIFR-UHFFFAOYSA-N 0 3 369.490 3.201 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000081751150 493951124 /nfs/dbraw/zinc/95/11/24/493951124.db2.gz KIYYROUOTNEQMZ-UHFFFAOYSA-N 0 3 365.315 3.457 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](CC)CO)cc1OCC ZINC000060806897 493955196 /nfs/dbraw/zinc/95/51/96/493955196.db2.gz KDZZXGMEGLGKSG-ZDUSSCGKSA-N 0 3 358.276 3.273 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNC[C@@H](O)C3CCOCC3)c2)c1 ZINC000076906334 493986772 /nfs/dbraw/zinc/98/67/72/493986772.db2.gz NECBZEIDMWSQJN-JOCHJYFZSA-N 0 3 366.461 3.014 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000051852226 493990887 /nfs/dbraw/zinc/99/08/87/493990887.db2.gz QVRZPQBQPZUACY-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN N#Cc1ccsc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000052032818 494001060 /nfs/dbraw/zinc/00/10/60/494001060.db2.gz VXAGLJGGHNOSKS-UHFFFAOYSA-N 0 3 366.490 3.404 20 30 FGEDHN CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000077024341 494010965 /nfs/dbraw/zinc/01/09/65/494010965.db2.gz RWPACCANPDUTIR-UHFFFAOYSA-N 0 3 352.400 3.438 20 30 FGEDHN Cc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(=O)[nH]1 ZINC000062677299 494020259 /nfs/dbraw/zinc/02/02/59/494020259.db2.gz WRWJVHAJDSXAPP-OAHLLOKOSA-N 0 3 360.398 3.169 20 30 FGEDHN C=CCN(CC=C)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000063407490 494051707 /nfs/dbraw/zinc/05/17/07/494051707.db2.gz KASCVVKOTFTCIO-UHFFFAOYSA-N 0 3 357.498 3.291 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000077371803 494068819 /nfs/dbraw/zinc/06/88/19/494068819.db2.gz XHIFUQWHMDZBHM-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000077389065 494074614 /nfs/dbraw/zinc/07/46/14/494074614.db2.gz UPPWLFWFYCFIMM-UHFFFAOYSA-N 0 3 371.506 3.139 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053398835 494125774 /nfs/dbraw/zinc/12/57/74/494125774.db2.gz XXUCBNARJZSVPT-UGKGYDQZSA-N 0 3 366.461 3.338 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000088412204 494238403 /nfs/dbraw/zinc/23/84/03/494238403.db2.gz ZVDIHTYURPUQKF-UHFFFAOYSA-N 0 3 367.453 3.386 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000065939634 494260301 /nfs/dbraw/zinc/26/03/01/494260301.db2.gz ZEHAOZACHIHFDC-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN COc1ccc(C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000072914655 494283237 /nfs/dbraw/zinc/28/32/37/494283237.db2.gz VKHIKRZMQZBKTJ-FQEVSTJZSA-N 0 3 366.461 3.186 20 30 FGEDHN COc1ccc(CN(C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000078434638 494296839 /nfs/dbraw/zinc/29/68/39/494296839.db2.gz NBOOUGXLMIPBOT-HXUWFJFHSA-N 0 3 366.461 3.166 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-c2nnc(C)o2)cc1)C(C)C ZINC000073640580 494405869 /nfs/dbraw/zinc/40/58/69/494405869.db2.gz MCLAYRJROPECLZ-LJQANCHMSA-N 0 3 368.481 3.473 20 30 FGEDHN CC(C)(C)CCN1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000055936076 494430705 /nfs/dbraw/zinc/43/07/05/494430705.db2.gz LWVRBIXSZUNONP-UHFFFAOYSA-N 0 3 362.905 3.204 20 30 FGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)NCc1cccc(C#N)c1 ZINC000066984231 494451523 /nfs/dbraw/zinc/45/15/23/494451523.db2.gz VBCJGBMKUGWMSN-UHFFFAOYSA-N 0 3 364.493 3.264 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3ccccc3Br)CC2)nc1 ZINC000067011008 494455038 /nfs/dbraw/zinc/45/50/38/494455038.db2.gz ZTKFETWLJYPHLD-UHFFFAOYSA-N 0 3 371.282 3.474 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)C(C)C ZINC000046049229 494490137 /nfs/dbraw/zinc/49/01/37/494490137.db2.gz DIPRMYCASQVXSA-FQEVSTJZSA-N 0 3 369.509 3.242 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)NC2CCN(CCCOC)CC2)c1 ZINC000067318233 494513865 /nfs/dbraw/zinc/51/38/65/494513865.db2.gz GPHFUNVYGCMRLG-UHFFFAOYSA-N 0 3 361.486 3.264 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)Cc2ccc(F)cc2)c(OC)c1 ZINC000046342792 494517912 /nfs/dbraw/zinc/51/79/12/494517912.db2.gz ARPKFFMCPKEOLQ-IBGZPJMESA-N 0 3 359.441 3.435 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)C(C)C ZINC000046905632 494582586 /nfs/dbraw/zinc/58/25/86/494582586.db2.gz INCPVSAQYNFXNG-HXUWFJFHSA-N 0 3 354.498 3.398 20 30 FGEDHN CCc1cccc(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010581 494616415 /nfs/dbraw/zinc/61/64/15/494616415.db2.gz BRKJXKVWVPZTRH-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN CN(C(=O)NCC#Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074846837 494620403 /nfs/dbraw/zinc/62/04/03/494620403.db2.gz XVHOWIIDWZHQRX-QFIPXVFZSA-N 0 3 361.489 3.344 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(F)cc1F ZINC000126086737 494631347 /nfs/dbraw/zinc/63/13/47/494631347.db2.gz SCMYSYZZAYGUPD-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2cccc(C#N)c2)o1 ZINC000074918246 494647600 /nfs/dbraw/zinc/64/76/00/494647600.db2.gz SVZUMRDRPMISEA-INIZCTEOSA-N 0 3 354.454 3.294 20 30 FGEDHN CN(CCCOc1cccc(S(C)(=O)=O)c1)CC(C)(C)CCC#N ZINC000092512173 494652384 /nfs/dbraw/zinc/65/23/84/494652384.db2.gz QTCRLFXQZSDWGV-UHFFFAOYSA-N 0 3 352.500 3.121 20 30 FGEDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000092707854 494720537 /nfs/dbraw/zinc/72/05/37/494720537.db2.gz JZKNAEIUPNBCJA-IBGZPJMESA-N 0 3 356.514 3.165 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)[C@@H](C)c2ccncc2)c(OC)c1 ZINC000091990152 494746919 /nfs/dbraw/zinc/74/69/19/494746919.db2.gz GQIQPZPGTMLOGF-LPHOPBHVSA-N 0 3 356.466 3.251 20 30 FGEDHN C[C@@H]1C[C@H](C)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000025508310 494749572 /nfs/dbraw/zinc/74/95/72/494749572.db2.gz LOIHCCMCIOLKJT-GASCZTMLSA-N 0 3 352.400 3.151 20 30 FGEDHN CN1CCC(N(Cc2ccccc2F)C(=O)c2sccc2C#N)CC1 ZINC000068113719 494766290 /nfs/dbraw/zinc/76/62/90/494766290.db2.gz MBGBEJZKNHIMJH-UHFFFAOYSA-N 0 3 357.454 3.495 20 30 FGEDHN CN(CCOc1cccc(Cl)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025697753 494770821 /nfs/dbraw/zinc/77/08/21/494770821.db2.gz BOUGZSKHJKCMSK-SFHVURJKSA-N 0 3 374.868 3.157 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cncc(Br)c2)CC1 ZINC000126545118 494784817 /nfs/dbraw/zinc/78/48/17/494784817.db2.gz GUPZVUPSNQNURD-UHFFFAOYSA-N 0 3 353.264 3.006 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000025865929 494785076 /nfs/dbraw/zinc/78/50/76/494785076.db2.gz MDZWIMOCJATYMD-JOCHJYFZSA-N 0 3 364.489 3.447 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@H](N3CCN(CC)CC3)C2)cc1Cl ZINC000093132687 494830448 /nfs/dbraw/zinc/83/04/48/494830448.db2.gz ICWORDZEDMZXKA-SFHVURJKSA-N 0 3 363.933 3.117 20 30 FGEDHN C=C(C)COc1cc(CN2CCC[C@H](CCNC(C)=O)C2)ccc1OC ZINC000574320124 505746096 /nfs/dbraw/zinc/74/60/96/505746096.db2.gz PTDCJCBBMYVYET-GOSISDBHSA-N 0 3 360.498 3.388 20 30 FGEDHN Cn1ccnc1[C@H](O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093454605 494893115 /nfs/dbraw/zinc/89/31/15/494893115.db2.gz LFNZCMYOKNAOGP-HXUWFJFHSA-N 0 3 368.481 3.048 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000093532225 494898717 /nfs/dbraw/zinc/89/87/17/494898717.db2.gz SILQRGILVCYGIL-UHFFFAOYSA-N 0 3 368.525 3.261 20 30 FGEDHN COc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1OCCCC#N ZINC000093870522 494929734 /nfs/dbraw/zinc/92/97/34/494929734.db2.gz DWXGATSOUQIABK-SFHVURJKSA-N 0 3 368.481 3.176 20 30 FGEDHN N#Cc1cnc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000133040640 494960080 /nfs/dbraw/zinc/96/00/80/494960080.db2.gz KDJLGDIUCAGDQS-UHFFFAOYSA-N 0 3 361.371 3.079 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2ccccc2C1 ZINC000574330358 505748521 /nfs/dbraw/zinc/74/85/21/505748521.db2.gz SINAGDUVBNESNU-QFIPXVFZSA-N 0 3 361.489 3.254 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)N(C)C)cc1 ZINC000110610636 494994419 /nfs/dbraw/zinc/99/44/19/494994419.db2.gz ZAWRXDRKNDRHOX-NRFANRHFSA-N 0 3 365.477 3.113 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000118822875 495042230 /nfs/dbraw/zinc/04/22/30/495042230.db2.gz UMGLBLIKTGBIAU-IBGZPJMESA-N 0 3 362.477 3.287 20 30 FGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111260789 495056153 /nfs/dbraw/zinc/05/61/53/495056153.db2.gz HNXJCYJLMPBOFD-AWEZNQCLSA-N 0 3 356.445 3.247 20 30 FGEDHN CC[C@H](O)CN(CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000134476874 495155296 /nfs/dbraw/zinc/15/52/96/495155296.db2.gz DIGXBAYRWBWUGN-IBGZPJMESA-N 0 3 354.450 3.219 20 30 FGEDHN N#CC(C(=O)c1ccnc(-n2cccn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000123847575 495196647 /nfs/dbraw/zinc/19/66/47/495196647.db2.gz DCNYRWKLLXCFLU-CYBMUJFWSA-N 0 3 357.295 3.171 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2O[C@H]2CCOC2)CC1 ZINC000119678609 495217230 /nfs/dbraw/zinc/21/72/30/495217230.db2.gz NGLXWGHXSJIVMB-KRWDZBQOSA-N 0 3 359.470 3.016 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1Cl ZINC000134906984 495220292 /nfs/dbraw/zinc/22/02/92/495220292.db2.gz IETJMUXCZQZXND-BEFAXECRSA-N 0 3 372.900 3.099 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119780780 495240258 /nfs/dbraw/zinc/24/02/58/495240258.db2.gz XNMAJJVJCOHZEI-XLIONFOSSA-N 0 3 351.494 3.463 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000129710304 495284090 /nfs/dbraw/zinc/28/40/90/495284090.db2.gz PTMYIKFSFDEFII-UHFFFAOYSA-N 0 3 367.449 3.047 20 30 FGEDHN N#CCCn1cc(CNC[C@@H](O)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000113337566 495297642 /nfs/dbraw/zinc/29/76/42/495297642.db2.gz QIBNLBHYUYUCJE-NRFANRHFSA-N 0 3 360.461 3.157 20 30 FGEDHN Cc1ccccc1OC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716249 495300048 /nfs/dbraw/zinc/30/00/48/495300048.db2.gz BXNVGHMSDPKEAF-LJQANCHMSA-N 0 3 366.461 3.150 20 30 FGEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CSCCN(C)C)c1C#N ZINC000120214404 495328992 /nfs/dbraw/zinc/32/89/92/495328992.db2.gz YLLIFICQCLLKMO-UHFFFAOYSA-N 0 3 374.485 3.338 20 30 FGEDHN C=CCNc1ncc(C(=O)NC2CCN(Cc3ccccc3C)CC2)s1 ZINC000136181051 495362635 /nfs/dbraw/zinc/36/26/35/495362635.db2.gz PONQGZKBKXHRKW-UHFFFAOYSA-N 0 3 370.522 3.444 20 30 FGEDHN COc1cc(CN2CCC[C@](C)(O)C2)ccc1OCc1cccc(C#N)c1 ZINC000125103958 495391048 /nfs/dbraw/zinc/39/10/48/495391048.db2.gz ZEYCKVHBTRMQCG-QFIPXVFZSA-N 0 3 366.461 3.493 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000106037828 495405859 /nfs/dbraw/zinc/40/58/59/495405859.db2.gz WWHCPYUNUJNWEO-UHFFFAOYSA-N 0 3 372.538 3.127 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)c(OC(F)F)c2)CC1 ZINC000106036175 495406036 /nfs/dbraw/zinc/40/60/36/495406036.db2.gz GXPFZNFTAWGGOL-UHFFFAOYSA-N 0 3 354.397 3.067 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCCOc2ccccc2OCC)CC1 ZINC000106038920 495406504 /nfs/dbraw/zinc/40/65/04/495406504.db2.gz AYFAXYPBKADKGY-UHFFFAOYSA-N 0 3 360.498 3.401 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)CC1 ZINC000120592528 495412488 /nfs/dbraw/zinc/41/24/88/495412488.db2.gz BTTKKPFFMLCLTM-YJBOKZPZSA-N 0 3 363.527 3.260 20 30 FGEDHN Cc1nccn1CCCN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000130632485 495422650 /nfs/dbraw/zinc/42/26/50/495422650.db2.gz FFHZZUZKNYTKIG-UHFFFAOYSA-N 0 3 373.888 3.114 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000574475512 505781136 /nfs/dbraw/zinc/78/11/36/505781136.db2.gz XTZVKRRMGMAWED-KMEYYKJISA-N 0 3 354.498 3.451 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000130668071 495426816 /nfs/dbraw/zinc/42/68/16/495426816.db2.gz YWJDQGYCJQYATC-UHFFFAOYSA-N 0 3 371.506 3.221 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000106291220 495442145 /nfs/dbraw/zinc/44/21/45/495442145.db2.gz BNVPFYBIEHNDIY-UHFFFAOYSA-N 0 3 364.489 3.079 20 30 FGEDHN CC[C@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCCO1 ZINC000182378764 495539196 /nfs/dbraw/zinc/53/91/96/495539196.db2.gz AKQKJHGQPSKBMR-ROUUACIJSA-N 0 3 363.889 3.442 20 30 FGEDHN Cc1noc(-c2ccccc2C(=O)C(C#N)c2nc3ccccc3n2C)n1 ZINC000182560937 495615815 /nfs/dbraw/zinc/61/58/15/495615815.db2.gz OFHGVXUFVVOYIT-OAHLLOKOSA-N 0 3 357.373 3.422 20 30 FGEDHN N#Cc1cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1F ZINC000577791093 505792883 /nfs/dbraw/zinc/79/28/83/505792883.db2.gz RBCWAEFLUYLCGN-SFHVURJKSA-N 0 3 352.413 3.483 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@H](OCCO)C3)c2)c1 ZINC000179578359 495648614 /nfs/dbraw/zinc/64/86/14/495648614.db2.gz VJQVFYGYSBTMHN-QFIPXVFZSA-N 0 3 366.461 3.111 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C#N)cc1F ZINC000170936311 495657938 /nfs/dbraw/zinc/65/79/38/495657938.db2.gz YQKHATHXKTXELD-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179650165 495676516 /nfs/dbraw/zinc/67/65/16/495676516.db2.gz DUVLVZWVDNAUAF-MRXNPFEDSA-N 0 3 366.436 3.185 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574540859 505797160 /nfs/dbraw/zinc/79/71/60/505797160.db2.gz UARCEZKEEMKLBR-FBEWHJACSA-N 0 3 359.473 3.298 20 30 FGEDHN N#Cc1ccc(OCCN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000179729884 495708529 /nfs/dbraw/zinc/70/85/29/495708529.db2.gz GHCGVLDCKSDBPV-NRFANRHFSA-N 0 3 350.418 3.449 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)ccc2Br)CC1 ZINC000176704378 495754860 /nfs/dbraw/zinc/75/48/60/495754860.db2.gz KINVSJXFPAGBNV-UHFFFAOYSA-N 0 3 356.239 3.360 20 30 FGEDHN COc1ccccc1C[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000185894534 495769466 /nfs/dbraw/zinc/76/94/66/495769466.db2.gz ANOHHDDJWCZBNE-LJQANCHMSA-N 0 3 351.450 3.362 20 30 FGEDHN C[C@H](CO[C@H]1CCOC1)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000151259339 495786644 /nfs/dbraw/zinc/78/66/44/495786644.db2.gz WIDNNUBRFRBAHJ-VGSWGCGISA-N 0 3 366.461 3.421 20 30 FGEDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000183105773 495836416 /nfs/dbraw/zinc/83/64/16/495836416.db2.gz NRSQGDVSRTYGRF-KUHUBIRLSA-N 0 3 365.433 3.119 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183166830 495864980 /nfs/dbraw/zinc/86/49/80/495864980.db2.gz XAVLILDRSIJCAL-INIZCTEOSA-N 0 3 364.371 3.144 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000155221296 495881279 /nfs/dbraw/zinc/88/12/79/495881279.db2.gz IMIWGFLHFJQRBE-PMACEKPBSA-N 0 3 369.509 3.342 20 30 FGEDHN Cc1cc([C@@](C)(O)CNCc2cn(C)nc2-c2ccc(C#N)cc2)c(C)o1 ZINC000180241472 495921947 /nfs/dbraw/zinc/92/19/47/495921947.db2.gz WOQVQCJKBPFGNC-NRFANRHFSA-N 0 3 364.449 3.166 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C#N)o2)CC1 ZINC000174353406 495923795 /nfs/dbraw/zinc/92/37/95/495923795.db2.gz YSZBZECZRMBVOP-HNNXBMFYSA-N 0 3 356.445 3.283 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000186284873 495929375 /nfs/dbraw/zinc/92/93/75/495929375.db2.gz IJNCJJBZHBOTFX-OAHLLOKOSA-N 0 3 355.404 3.206 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000580681658 505812960 /nfs/dbraw/zinc/81/29/60/505812960.db2.gz YDQWDBYRGSTMOT-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(Cl)cc3c2OCC3)CC1 ZINC000183345124 495940451 /nfs/dbraw/zinc/94/04/51/495940451.db2.gz DVWRQMVGOYDJHG-UHFFFAOYSA-N 0 3 363.889 3.115 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC000183345381 495940730 /nfs/dbraw/zinc/94/07/30/495940730.db2.gz CFLGEOARDHYJDI-NRFANRHFSA-N 0 3 371.525 3.070 20 30 FGEDHN CC(=O)Nc1ccccc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160439265 495964157 /nfs/dbraw/zinc/96/41/57/495964157.db2.gz MBSXNXMJEUSYED-GOSISDBHSA-N 0 3 366.440 3.414 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160530380 495984178 /nfs/dbraw/zinc/98/41/78/495984178.db2.gz IYHLBZMLDWMENQ-HXUWFJFHSA-N 0 3 365.481 3.200 20 30 FGEDHN Cn1cc(C(=O)C(C(=S)[N-]C(C)(C)C)[n+]2ccc(C(C)(C)C)cc2)cn1 ZINC000151930506 495996587 /nfs/dbraw/zinc/99/65/87/495996587.db2.gz JERSENLRLIQXOB-UHFFFAOYSA-O 0 3 373.546 3.332 20 30 FGEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577913913 505816993 /nfs/dbraw/zinc/81/69/93/505816993.db2.gz BKMWIPSAPGVZRW-MRXNPFEDSA-N 0 3 369.490 3.143 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000171718820 496005802 /nfs/dbraw/zinc/00/58/02/496005802.db2.gz FGOWQQMJIMNPDO-UHFFFAOYSA-N 0 3 355.507 3.043 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc3onc(C(C)C)c32)CC1 ZINC000171728024 496010105 /nfs/dbraw/zinc/01/01/05/496010105.db2.gz QKLLCWFDSJLLAC-UHFFFAOYSA-N 0 3 356.470 3.425 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000171736533 496013956 /nfs/dbraw/zinc/01/39/56/496013956.db2.gz YPJCYZBVINPIEU-LJQANCHMSA-N 0 3 359.470 3.016 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000171741236 496015798 /nfs/dbraw/zinc/01/57/98/496015798.db2.gz ZGNONTHFQNHGRP-NRFANRHFSA-N 0 3 364.493 3.253 20 30 FGEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cccnc1 ZINC000155702876 496040401 /nfs/dbraw/zinc/04/04/01/496040401.db2.gz LGCQFEPRQLQTPG-MRXNPFEDSA-N 0 3 374.400 3.361 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(CC#N)cc1)c1ccco1 ZINC000574633653 505820806 /nfs/dbraw/zinc/82/08/06/505820806.db2.gz FVYJIBKWEITPFN-MAUKXSAKSA-N 0 3 354.454 3.274 20 30 FGEDHN C[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000171851201 496063822 /nfs/dbraw/zinc/06/38/22/496063822.db2.gz NSSBFPPMCSROFZ-HNNXBMFYSA-N 0 3 354.429 3.017 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)[N-]CCCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000183659630 496066608 /nfs/dbraw/zinc/06/66/08/496066608.db2.gz VSPBVJRIMDQRBO-UHFFFAOYSA-N 0 3 369.918 3.146 20 30 FGEDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000174721126 496076275 /nfs/dbraw/zinc/07/62/75/496076275.db2.gz HXJZHJOLXZIWSE-CQSZACIVSA-N 0 3 350.422 3.196 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](CCO)C2CCCCC2)c1C ZINC000183707002 496087553 /nfs/dbraw/zinc/08/75/53/496087553.db2.gz SEOAIIYCZHZOEU-FQEVSTJZSA-N 0 3 371.525 3.471 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)CC1 ZINC000181034413 496247974 /nfs/dbraw/zinc/24/79/74/496247974.db2.gz QFKNGNCEWYRTEL-RBUKOAKNSA-N 0 3 351.535 3.310 20 30 FGEDHN COCc1nnc(-c2cccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c2)o1 ZINC000181097660 496269449 /nfs/dbraw/zinc/26/94/49/496269449.db2.gz RBYHDCONCJQRRE-AWEZNQCLSA-N 0 3 373.372 3.249 20 30 FGEDHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000162122616 496299284 /nfs/dbraw/zinc/29/92/84/496299284.db2.gz YIIFGIONIWFAST-WWMYMODYSA-N 0 3 362.477 3.439 20 30 FGEDHN N#Cc1ccc(OCCN2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178046560 496304279 /nfs/dbraw/zinc/30/42/79/496304279.db2.gz RGEVXNCEULHBNE-IBGZPJMESA-N 0 3 363.461 3.079 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1 ZINC000175277899 496319423 /nfs/dbraw/zinc/31/94/23/496319423.db2.gz GJYHKXFXEGEOPI-JOCHJYFZSA-N 0 3 361.489 3.471 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)CCc3ccc(C#N)cc3)c2)CC1 ZINC000184284971 496319682 /nfs/dbraw/zinc/31/96/82/496319682.db2.gz AOIPUARTLDZXOE-UHFFFAOYSA-N 0 3 362.477 3.271 20 30 FGEDHN C[C@H](NCCOc1ccccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000181294736 496343578 /nfs/dbraw/zinc/34/35/78/496343578.db2.gz YDVKUYDOUWVHEU-HNNXBMFYSA-N 0 3 351.406 3.244 20 30 FGEDHN Cc1c(I)cccc1C(=O)C(C#N)c1ccccn1 ZINC000162376463 496344905 /nfs/dbraw/zinc/34/49/05/496344905.db2.gz AEYGCGWFZXDKHA-LBPRGKRZSA-N 0 3 362.170 3.485 20 30 FGEDHN C[C@@H](NC(=O)CSc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000187256643 496364039 /nfs/dbraw/zinc/36/40/39/496364039.db2.gz KMJGAXXVWZZOJA-QRWLVFNGSA-N 0 3 353.491 3.458 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OCC3CCCC3)CC2)CC1 ZINC000175417217 496382132 /nfs/dbraw/zinc/38/21/32/496382132.db2.gz OUOLGORBVUWTIV-UHFFFAOYSA-N 0 3 363.546 3.408 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000172682533 496385844 /nfs/dbraw/zinc/38/58/44/496385844.db2.gz VGWZCCRGSLFBHC-FXAWDEMLSA-N 0 3 353.491 3.362 20 30 FGEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(Cl)n1 ZINC000157090922 496403866 /nfs/dbraw/zinc/40/38/66/496403866.db2.gz JMZLANNHYPZXNX-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN CC(C)(C)[C@H](CCO)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000181485950 496415663 /nfs/dbraw/zinc/41/56/63/496415663.db2.gz LERNMXXZXYHOHH-INIZCTEOSA-N 0 3 363.527 3.214 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H]1CCOc2ccc(OC)cc21 ZINC000571910636 505844650 /nfs/dbraw/zinc/84/46/50/505844650.db2.gz OKCLKWAUKRITKG-XLIONFOSSA-N 0 3 369.461 3.277 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000184619331 496466384 /nfs/dbraw/zinc/46/63/84/496466384.db2.gz DQENVSSFPFQJDN-UHFFFAOYSA-N 0 3 372.347 3.386 20 30 FGEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000181663941 496493215 /nfs/dbraw/zinc/49/32/15/496493215.db2.gz DMXDUWXZPWFOJS-FQEVSTJZSA-N 0 3 374.481 3.328 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000157612437 496515165 /nfs/dbraw/zinc/51/51/65/496515165.db2.gz ZETKGSIXABKHFY-CQSZACIVSA-N 0 3 353.470 3.498 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000163549680 496531832 /nfs/dbraw/zinc/53/18/32/496531832.db2.gz UPBICDZNWBKHCN-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153651959 496533542 /nfs/dbraw/zinc/53/35/42/496533542.db2.gz YROPUZZZAYPLEU-WOJBJXKFSA-N 0 3 355.507 3.389 20 30 FGEDHN N#Cc1cccc(C2(NC(=O)Nc3ccc4c(c3F)CCNC4)CC2)c1 ZINC000569091367 505850222 /nfs/dbraw/zinc/85/02/22/505850222.db2.gz IDGMIZJFPCRWBO-UHFFFAOYSA-N 0 3 350.397 3.154 20 30 FGEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000181775322 496539859 /nfs/dbraw/zinc/53/98/59/496539859.db2.gz DSCJKXBHKXRMPB-INIZCTEOSA-N 0 3 356.491 3.288 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000173102201 496549732 /nfs/dbraw/zinc/54/97/32/496549732.db2.gz TXVMNRYRWCZDHW-UHFFFAOYSA-N 0 3 371.359 3.384 20 30 FGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000187752655 496557627 /nfs/dbraw/zinc/55/76/27/496557627.db2.gz SZAZUDWEKJMMCR-SIKLNZKXSA-N 0 3 370.541 3.045 20 30 FGEDHN COCCCN(C)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000173122014 496558451 /nfs/dbraw/zinc/55/84/51/496558451.db2.gz ZSIISNGHEDODOE-OAHLLOKOSA-N 0 3 364.515 3.171 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000578059862 505852246 /nfs/dbraw/zinc/85/22/46/505852246.db2.gz UAFVWUJROJGOQS-VXKWHMMOSA-N 0 3 374.488 3.222 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000181882646 496584934 /nfs/dbraw/zinc/58/49/34/496584934.db2.gz AWDMBUSOYKPNTL-UTKZUKDTSA-N 0 3 365.477 3.249 20 30 FGEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000164385644 496609183 /nfs/dbraw/zinc/60/91/83/496609183.db2.gz XVYWDJXQUOUZPX-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3CCN(c4cccc(Cl)c4)C3)n2c1 ZINC000181989633 496626036 /nfs/dbraw/zinc/62/60/36/496626036.db2.gz PJWAJRKFDJCOGL-MRXNPFEDSA-N 0 3 351.841 3.228 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000188022950 496655683 /nfs/dbraw/zinc/65/56/83/496655683.db2.gz QZEZFIROAHTOCK-QGZVFWFLSA-N 0 3 371.525 3.277 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000173360014 496658087 /nfs/dbraw/zinc/65/80/87/496658087.db2.gz KVXMXEVJSHXYII-KRWDZBQOSA-N 0 3 354.458 3.001 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000580886316 505860948 /nfs/dbraw/zinc/86/09/48/505860948.db2.gz IVYQYTMYKAEROT-GOEBONIOSA-N 0 3 354.479 3.082 20 30 FGEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000191456266 496769199 /nfs/dbraw/zinc/76/91/99/496769199.db2.gz ZWZUFMONAUYXGC-IIBYNOLFSA-N 0 3 353.466 3.312 20 30 FGEDHN COCCN1CCC(Nc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000194957752 496773014 /nfs/dbraw/zinc/77/30/14/496773014.db2.gz AXEYOLNMCCDONS-UHFFFAOYSA-N 0 3 362.836 3.422 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273395651 496794086 /nfs/dbraw/zinc/79/40/86/496794086.db2.gz FXHFJUIEPJLJQL-GGPKGHCWSA-N 0 3 361.461 3.032 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)CC1 ZINC000195027208 496796654 /nfs/dbraw/zinc/79/66/54/496796654.db2.gz JMOPWZVUQMTDGV-UHFFFAOYSA-N 0 3 362.477 3.170 20 30 FGEDHN Cc1c(Cl)cnc(NCc2ccccc2CN2CCC(O)CC2)c1C#N ZINC000273407284 496797345 /nfs/dbraw/zinc/79/73/45/496797345.db2.gz XASTYVFMBAHHKT-UHFFFAOYSA-N 0 3 370.884 3.484 20 30 FGEDHN CN1CCC[C@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1cccs1 ZINC000247193525 496803010 /nfs/dbraw/zinc/80/30/10/496803010.db2.gz BOHBXEFSSIFLSP-UZLBHIALSA-N 0 3 369.490 3.198 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000569187166 505871930 /nfs/dbraw/zinc/87/19/30/505871930.db2.gz UPSHXYYATUNYAI-DIJFTKHXSA-N 0 3 357.498 3.187 20 30 FGEDHN N#CCOc1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000264580991 496935002 /nfs/dbraw/zinc/93/50/02/496935002.db2.gz VLHQOFBKZSMFTM-UHFFFAOYSA-N 0 3 355.463 3.045 20 30 FGEDHN C=CCC1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCC1 ZINC000188954980 496958871 /nfs/dbraw/zinc/95/88/71/496958871.db2.gz HECDODYWIJMLJU-UHFFFAOYSA-N 0 3 355.526 3.451 20 30 FGEDHN CN1CC[C@]2(CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000569209348 505878971 /nfs/dbraw/zinc/87/89/71/505878971.db2.gz UIYRJJSSFQGPNN-QHCPKHFHSA-N 0 3 374.488 3.462 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000274126102 497021389 /nfs/dbraw/zinc/02/13/89/497021389.db2.gz GSQLQORYJCFXHH-UZLBHIALSA-N 0 3 364.449 3.231 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000274126098 497022175 /nfs/dbraw/zinc/02/21/75/497022175.db2.gz GSQLQORYJCFXHH-OXQOHEQNSA-N 0 3 364.449 3.231 20 30 FGEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C#N)ccc2C)c1 ZINC000192169580 497022207 /nfs/dbraw/zinc/02/22/07/497022207.db2.gz BPALGLYAVPKUHC-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000248715443 497085705 /nfs/dbraw/zinc/08/57/05/497085705.db2.gz NOJXHCYUGHMKRR-REWPJTCUSA-N 0 3 365.473 3.286 20 30 FGEDHN N#CCCN(Cc1ccccn1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278577224 497157125 /nfs/dbraw/zinc/15/71/25/497157125.db2.gz JVKBJFIDWNZQIV-JOCHJYFZSA-N 0 3 364.493 3.088 20 30 FGEDHN CN1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2(CCCCC2)C1 ZINC000192614222 497164719 /nfs/dbraw/zinc/16/47/19/497164719.db2.gz HVQLYVTVNGCVSN-HXUWFJFHSA-N 0 3 366.509 3.004 20 30 FGEDHN C=CCC(C)(C)CNCCS(=O)(=O)c1cccc(Br)c1 ZINC000578232503 505894167 /nfs/dbraw/zinc/89/41/67/505894167.db2.gz VHUSSUXBBOIIOU-UHFFFAOYSA-N 0 3 360.317 3.415 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000237551326 497255079 /nfs/dbraw/zinc/25/50/79/497255079.db2.gz HLTNBJQJCQAKDR-KXBFYZLASA-N 0 3 353.422 3.446 20 30 FGEDHN C=CCC[C@H](C(=O)NCCCCN1CCN(CC)CC1)c1ccccc1 ZINC000275341862 497296234 /nfs/dbraw/zinc/29/62/34/497296234.db2.gz RAXFCTWSUQORQZ-NRFANRHFSA-N 0 3 357.542 3.270 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ncccc1Br)C(C)C ZINC000193250986 497334206 /nfs/dbraw/zinc/33/42/06/497334206.db2.gz VGUVAAUSAXXPEJ-OAHLLOKOSA-N 0 3 366.303 3.273 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Cl)s1 ZINC000193370071 497363342 /nfs/dbraw/zinc/36/33/42/497363342.db2.gz FJNGSUCISABRCC-UHFFFAOYSA-N 0 3 361.898 3.406 20 30 FGEDHN C[C@H]1CN(CCC2CCN(C(=O)c3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000190134954 497370576 /nfs/dbraw/zinc/37/05/76/497370576.db2.gz NEQIHBKIKPPEJA-HOTGVXAUSA-N 0 3 373.472 3.049 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCCO[C@@H]2c2nccn2C)ccc1OC ZINC000275586792 497373033 /nfs/dbraw/zinc/37/30/33/497373033.db2.gz PLSFEUNAFKZPBW-PXNSSMCTSA-N 0 3 371.481 3.394 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCCO[C@@H](C)C3)sc2C1 ZINC000245400200 497385104 /nfs/dbraw/zinc/38/51/04/497385104.db2.gz BQCUNZJJKUMLNV-KBPBESRZSA-N 0 3 361.511 3.184 20 30 FGEDHN CN(CCC#N)C(=O)CCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000271632343 497404377 /nfs/dbraw/zinc/40/43/77/497404377.db2.gz YSBSGAMRWBFXCK-IBGZPJMESA-N 0 3 371.506 3.046 20 30 FGEDHN COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000271696337 497421161 /nfs/dbraw/zinc/42/11/61/497421161.db2.gz SOUKKLUWVLDJEI-ZDUSSCGKSA-N 0 3 368.393 3.154 20 30 FGEDHN C=CCOc1ccc(CN2CCNC[C@H]2c2ccccc2OC)cc1OC ZINC000261826426 497457730 /nfs/dbraw/zinc/45/77/30/497457730.db2.gz YKRDSWSCNNNDRX-IBGZPJMESA-N 0 3 368.477 3.415 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271824651 497461691 /nfs/dbraw/zinc/46/16/91/497461691.db2.gz POVORXBNCIRYGV-SXBQZSJRSA-N 0 3 358.463 3.034 20 30 FGEDHN N#Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1F ZINC000581101383 505909624 /nfs/dbraw/zinc/90/96/24/505909624.db2.gz DGKSNODPQTZFFE-UHFFFAOYSA-N 0 3 352.413 3.483 20 30 FGEDHN C=CCN(CCOC)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000190468586 497491061 /nfs/dbraw/zinc/49/10/61/497491061.db2.gz YAYWKODBAACWTD-KRWDZBQOSA-N 0 3 365.543 3.365 20 30 FGEDHN Cc1ccc([C@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)N2CCOCC2)o1 ZINC000271955679 497495586 /nfs/dbraw/zinc/49/55/86/497495586.db2.gz SEYDRYNCWMGHMK-KXBFYZLASA-N 0 3 357.429 3.323 20 30 FGEDHN Cc1ccc([C@@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)N2CCOCC2)o1 ZINC000271955672 497496063 /nfs/dbraw/zinc/49/60/63/497496063.db2.gz SEYDRYNCWMGHMK-HNAYVOBHSA-N 0 3 357.429 3.323 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)Nc2cc(C)n(CCC#N)n2)N(C)C)cc1 ZINC000272054820 497524434 /nfs/dbraw/zinc/52/44/34/497524434.db2.gz HYEJIHRCELTCSV-SFHVURJKSA-N 0 3 368.485 3.092 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)Nc2cc(C)n(CCC#N)n2)N(C)C)cc1 ZINC000272054818 497524775 /nfs/dbraw/zinc/52/47/75/497524775.db2.gz HYEJIHRCELTCSV-GOSISDBHSA-N 0 3 368.485 3.092 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000279780542 497539785 /nfs/dbraw/zinc/53/97/85/497539785.db2.gz UIUJSAGMHBACLT-OAQYLSRUSA-N 0 3 371.440 3.362 20 30 FGEDHN N#Cc1csc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1 ZINC000267797355 497619333 /nfs/dbraw/zinc/61/93/33/497619333.db2.gz WNWNBSMTPXLRSB-UHFFFAOYSA-N 0 3 351.475 3.283 20 30 FGEDHN CO[C@H]1CCC[C@@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000280030033 497624949 /nfs/dbraw/zinc/62/49/49/497624949.db2.gz VYGSABSQKCOSEW-UXHICEINSA-N 0 3 357.498 3.044 20 30 FGEDHN N#Cc1ccc(CNCc2cccc(-n3cncn3)c2)c(C(F)(F)F)c1 ZINC000575097741 505920771 /nfs/dbraw/zinc/92/07/71/505920771.db2.gz LXROMAZFRFXHGO-UHFFFAOYSA-N 0 3 357.339 3.448 20 30 FGEDHN C=CCCCCCN(C)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272722720 497712190 /nfs/dbraw/zinc/71/21/90/497712190.db2.gz CJOKEJNIZSPGCF-FQEVSTJZSA-N 0 3 359.514 3.141 20 30 FGEDHN CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS1 ZINC000277237739 497785187 /nfs/dbraw/zinc/78/51/87/497785187.db2.gz MWUCJLWXPCQZGB-KSZLIROESA-N 0 3 357.523 3.169 20 30 FGEDHN C[C@@H](CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1 ZINC000277288676 497795863 /nfs/dbraw/zinc/79/58/63/497795863.db2.gz RAIHUKHLXMDOEN-MGPUTAFESA-N 0 3 351.425 3.192 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000280626387 497831607 /nfs/dbraw/zinc/83/16/07/497831607.db2.gz LOIWCYLPOMEBPP-CJNGLKHVSA-N 0 3 357.903 3.204 20 30 FGEDHN CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000329586578 497836057 /nfs/dbraw/zinc/83/60/57/497836057.db2.gz MMYHMDIGHVZURM-SZMVWBNQSA-N 0 3 357.502 3.055 20 30 FGEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000299717145 497906482 /nfs/dbraw/zinc/90/64/82/497906482.db2.gz RPDAXRKQYUGGIS-QGZVFWFLSA-N 0 3 369.490 3.414 20 30 FGEDHN O=C(COc1ccc(O)cc1)NCC1(N2CCSCC2)CCCCC1 ZINC000329879194 497937333 /nfs/dbraw/zinc/93/73/33/497937333.db2.gz LXEUUEXYEAWIDS-UHFFFAOYSA-N 0 3 364.511 3.479 20 30 FGEDHN CC1(C)CCCN(CCNC(=O)Cc2cccc(N3CCCC3=O)c2)C1 ZINC000329958300 497969511 /nfs/dbraw/zinc/96/95/11/497969511.db2.gz PYOQMKWSXLAMQY-UHFFFAOYSA-N 0 3 357.498 3.434 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CC#N)cc2)CN1Cc1ccccc1 ZINC000578527022 505961101 /nfs/dbraw/zinc/96/11/01/505961101.db2.gz WIFWZENRPNNSLA-DYESRHJHSA-N 0 3 362.477 3.215 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000301220858 498004794 /nfs/dbraw/zinc/00/47/94/498004794.db2.gz BNHYAGFZPRMWFA-IBGZPJMESA-N 0 3 350.466 3.074 20 30 FGEDHN CC(C(=O)N[C@@H]1CCC[C@H]1c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000330077288 498012518 /nfs/dbraw/zinc/01/25/18/498012518.db2.gz MWTIMKLXDZLNPU-FHLIZLRMSA-N 0 3 365.495 3.262 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000330145740 498038729 /nfs/dbraw/zinc/03/87/29/498038729.db2.gz HMCZLSSRYBSJSF-DQYPLSBCSA-N 0 3 361.461 3.414 20 30 FGEDHN CCc1ccc([C@@H](O)CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000285393601 498072437 /nfs/dbraw/zinc/07/24/37/498072437.db2.gz DQZGYTHEAZOJKA-NRFANRHFSA-N 0 3 360.461 3.344 20 30 FGEDHN CC[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1nc(C)cs1 ZINC000330258920 498083657 /nfs/dbraw/zinc/08/36/57/498083657.db2.gz MXNKBRQYWHEYAO-ZBFHGGJFSA-N 0 3 366.531 3.002 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@@H](c3nc[nH]n3)c3ccccc3)CC2)cc1 ZINC000364676563 498085230 /nfs/dbraw/zinc/08/52/30/498085230.db2.gz MPDLDALDYJNWJO-OAQYLSRUSA-N 0 3 372.476 3.020 20 30 FGEDHN Cc1nsc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000578615399 505981279 /nfs/dbraw/zinc/98/12/79/505981279.db2.gz QCTPSZJJJCUZOW-HNNXBMFYSA-N 0 3 355.467 3.061 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N(C)CCCN(C)Cc2ccco2)c(C#N)c1C ZINC000285551830 498126717 /nfs/dbraw/zinc/12/67/17/498126717.db2.gz GRXPNYRKGCIZBP-HNNXBMFYSA-N 0 3 372.469 3.142 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000330493715 498142362 /nfs/dbraw/zinc/14/23/62/498142362.db2.gz RMHYBFNKTQGXPX-CVEARBPZSA-N 0 3 367.534 3.075 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C2CC2)C[C@H](C)C1 ZINC000296707619 498162523 /nfs/dbraw/zinc/16/25/23/498162523.db2.gz LODCJFKMEBFPSL-IAGOWNOFSA-N 0 3 361.555 3.067 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000281473448 498163185 /nfs/dbraw/zinc/16/31/85/498163185.db2.gz HMGHNLZTYBQQFR-CTNGQTDRSA-N 0 3 371.525 3.274 20 30 FGEDHN Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC000330891651 498212248 /nfs/dbraw/zinc/21/22/48/498212248.db2.gz CWLLVXHTIDMMLJ-RDJZCZTQSA-N 0 3 374.529 3.483 20 30 FGEDHN CCN1CCN(c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000301672580 498216145 /nfs/dbraw/zinc/21/61/45/498216145.db2.gz ZMXIXUMTAKAAPI-UHFFFAOYSA-N 0 3 366.425 3.055 20 30 FGEDHN N#CCc1cccc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000575798472 506008074 /nfs/dbraw/zinc/00/80/74/506008074.db2.gz ICQHDRXZWLVQLE-PZJWPPBQSA-N 0 3 360.461 3.491 20 30 FGEDHN CCN(CC)C(=O)c1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000281798942 498272735 /nfs/dbraw/zinc/27/27/35/498272735.db2.gz VDHSFLTVTZFORU-UHFFFAOYSA-N 0 3 351.450 3.339 20 30 FGEDHN CCN1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289803395 498299883 /nfs/dbraw/zinc/29/98/83/498299883.db2.gz MPRUQCZBMGXOHI-UHFFFAOYSA-N 0 3 365.437 3.351 20 30 FGEDHN Cc1cc(C)c(Br)c(C(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000331352375 498307518 /nfs/dbraw/zinc/30/75/18/498307518.db2.gz OOYVBZBINOKTMF-CQSZACIVSA-N 0 3 369.303 3.217 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000331365619 498309408 /nfs/dbraw/zinc/30/94/08/498309408.db2.gz DJJQVZJAALOKHY-UHFFFAOYSA-N 0 3 370.497 3.085 20 30 FGEDHN C[C@@H](NCCC(=O)N1CCOc2ccccc2C1)c1ccc(C#N)s1 ZINC000360812732 498313547 /nfs/dbraw/zinc/31/35/47/498313547.db2.gz VTJDUBMTQCNJNA-CQSZACIVSA-N 0 3 355.463 3.082 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000331423497 498328308 /nfs/dbraw/zinc/32/83/08/498328308.db2.gz RWWWOPLZLXYKDW-HSALFYBXSA-N 0 3 369.509 3.270 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000365199041 498347851 /nfs/dbraw/zinc/34/78/51/498347851.db2.gz FOCXNAFGHVDFJY-AZOIQLNYSA-N 0 3 359.495 3.034 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CO[C@H](C)C2)cc1OC ZINC000575868206 506021682 /nfs/dbraw/zinc/02/16/82/506021682.db2.gz VKGFXNSBFOUOEV-YPMHNXCESA-N 0 3 356.260 3.290 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCC[C@@H]2CCO)c1 ZINC000286390753 498382202 /nfs/dbraw/zinc/38/22/02/498382202.db2.gz ZODNDKMKGBNBGF-NSHGMRRFSA-N 0 3 357.498 3.079 20 30 FGEDHN N#Cc1c(NCC2(N3CCSCC3)CCCCC2)nc2ccccn21 ZINC000302078666 498396760 /nfs/dbraw/zinc/39/67/60/498396760.db2.gz IHDNBSCBCHMYDJ-UHFFFAOYSA-N 0 3 355.511 3.370 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)C1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000286541132 498429640 /nfs/dbraw/zinc/42/96/40/498429640.db2.gz YTDLNBJCRFFUHF-KRWDZBQOSA-N 0 3 363.889 3.159 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1snc(C)c1C#N ZINC000297384490 498429848 /nfs/dbraw/zinc/42/98/48/498429848.db2.gz IWGOBULRPNDREB-UHFFFAOYSA-N 0 3 357.483 3.439 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)CC1 ZINC000290139034 498438043 /nfs/dbraw/zinc/43/80/43/498438043.db2.gz OYRLPNHUHXHRSS-CYBMUJFWSA-N 0 3 354.372 3.300 20 30 FGEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)c(Cl)c1 ZINC000302466536 498489664 /nfs/dbraw/zinc/48/96/64/498489664.db2.gz SQBSFXRZXXSVCW-HXUWFJFHSA-N 0 3 355.869 3.285 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)N(C)C[C@H]3C)sc2C1 ZINC000331920132 498501067 /nfs/dbraw/zinc/50/10/67/498501067.db2.gz IMEBKEAUMOOLJD-RBSFLKMASA-N 0 3 374.554 3.098 20 30 FGEDHN Cc1ccc([C@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CCO2)c(C)c1 ZINC000365545700 498525022 /nfs/dbraw/zinc/52/50/22/498525022.db2.gz JPYXQGNJKVVTDP-IFMALSPDSA-N 0 3 373.456 3.458 20 30 FGEDHN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000286964523 498571026 /nfs/dbraw/zinc/57/10/26/498571026.db2.gz JJQVWKNUSSUNAA-KUHUBIRLSA-N 0 3 354.429 3.360 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000365703001 498606097 /nfs/dbraw/zinc/60/60/97/498606097.db2.gz GLMKVQUAPKMNID-HBMCJLEFSA-N 0 3 359.429 3.277 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282723959 498627991 /nfs/dbraw/zinc/62/79/91/498627991.db2.gz KWWJUGRUNDFPIX-IBGZPJMESA-N 0 3 351.450 3.490 20 30 FGEDHN N#Cc1ccc(OCCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000298204567 498694426 /nfs/dbraw/zinc/69/44/26/498694426.db2.gz IHDRUXCRDUTHAY-GOSISDBHSA-N 0 3 365.481 3.135 20 30 FGEDHN Cc1cc(N2CCC(N[C@@H](C)c3ccc(C#N)cc3F)CC2)nc(C)n1 ZINC000332528185 498713833 /nfs/dbraw/zinc/71/38/33/498713833.db2.gz UBZBOHBKKCVPMV-AWEZNQCLSA-N 0 3 353.445 3.424 20 30 FGEDHN CCCN1CCN(C2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000363263099 498734652 /nfs/dbraw/zinc/73/46/52/498734652.db2.gz QBSVJJQXHOJGAG-UHFFFAOYSA-N 0 3 363.509 3.103 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000283054816 498761240 /nfs/dbraw/zinc/76/12/40/498761240.db2.gz RITIGYDLAGNGJL-SMDDNHRTSA-N 0 3 368.359 3.015 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000298413847 498763540 /nfs/dbraw/zinc/76/35/40/498763540.db2.gz FQXNXJRSCKEURT-AZUAARDMSA-N 0 3 371.387 3.285 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@H](C)C1 ZINC000298596934 498824775 /nfs/dbraw/zinc/82/47/75/498824775.db2.gz SDLPGHJJSRWOGJ-HUUCEWRRSA-N 0 3 374.554 3.099 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCC(F)(F)Br)CC2)cc1 ZINC000291196928 498837945 /nfs/dbraw/zinc/83/79/45/498837945.db2.gz PSFNWQSLIVBSKC-UHFFFAOYSA-N 0 3 358.230 3.100 20 30 FGEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291294415 498881967 /nfs/dbraw/zinc/88/19/67/498881967.db2.gz RLZCGDGDZKBSBZ-CQSZACIVSA-N 0 3 352.413 3.468 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000298815211 498886823 /nfs/dbraw/zinc/88/68/23/498886823.db2.gz AYMGOIXZIHLFHB-CQSZACIVSA-N 0 3 353.470 3.498 20 30 FGEDHN Cc1cn2c(n1)[C@H](CNC(=O)N1CCN(CC3CCCCC3)CC1)CCC2 ZINC000328655162 498892077 /nfs/dbraw/zinc/89/20/77/498892077.db2.gz MNNDMGLEVBPWKM-IBGZPJMESA-N 0 3 373.545 3.181 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000333112194 498902738 /nfs/dbraw/zinc/90/27/38/498902738.db2.gz XTMMRJQWQCULSZ-NNZWXOEDSA-N 0 3 354.498 3.136 20 30 FGEDHN C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)NCCN1CCCCC1 ZINC000328771490 498933014 /nfs/dbraw/zinc/93/30/14/498933014.db2.gz JICCMAJURYMFNJ-MRXNPFEDSA-N 0 3 357.498 3.126 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000288099872 498944662 /nfs/dbraw/zinc/94/46/62/498944662.db2.gz GYLVLDRYXRORHB-YHYVQYDKSA-N 0 3 372.472 3.020 20 30 FGEDHN O=C(NCc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1)C1CCCC1 ZINC000328836151 498956009 /nfs/dbraw/zinc/95/60/09/498956009.db2.gz MTQLEMHATUCGNI-LJQANCHMSA-N 0 3 355.482 3.254 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC1=O ZINC000329008044 499013133 /nfs/dbraw/zinc/01/31/33/499013133.db2.gz YPXVVUNGWVNFEU-HZPDHXFCSA-N 0 3 358.482 3.105 20 30 FGEDHN N#CCc1cccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1 ZINC000299341813 499029508 /nfs/dbraw/zinc/02/95/08/499029508.db2.gz MOHZLTGCLABBCA-UHFFFAOYSA-N 0 3 359.473 3.416 20 30 FGEDHN COc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1[N+](=O)[O-] ZINC000299371207 499039779 /nfs/dbraw/zinc/03/97/79/499039779.db2.gz YVFIJJCOCAKXDC-UHFFFAOYSA-N 0 3 354.410 3.243 20 30 FGEDHN CC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000329114683 499045961 /nfs/dbraw/zinc/04/59/61/499045961.db2.gz SJZYXWMQXWFKJY-FQEVSTJZSA-N 0 3 372.513 3.206 20 30 FGEDHN Cc1nn(C)c(C)c1[C@H](C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000329147038 499055420 /nfs/dbraw/zinc/05/54/20/499055420.db2.gz OSAGSEVKAXDIAQ-AWEZNQCLSA-N 0 3 355.486 3.409 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@H]3COc4cccc(F)c43)CC2)cc1 ZINC000366775859 499068548 /nfs/dbraw/zinc/06/85/48/499068548.db2.gz IIWPFJICNKUHKN-IBGZPJMESA-N 0 3 351.425 3.385 20 30 FGEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000364043065 499096838 /nfs/dbraw/zinc/09/68/38/499096838.db2.gz QTUNUHRWANVZQO-KDOFPFPSSA-N 0 3 366.431 3.039 20 30 FGEDHN O=C(CN1CC[C@H](N2CCCCC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000329312414 499096880 /nfs/dbraw/zinc/09/68/80/499096880.db2.gz PWXIBAJKKNXSGH-AWEZNQCLSA-N 0 3 367.396 3.156 20 30 FGEDHN N#CC1(CCCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)CCOCC1 ZINC000366886023 499106138 /nfs/dbraw/zinc/10/61/38/499106138.db2.gz BFJVVKZORKGOKW-GOSISDBHSA-N 0 3 371.529 3.284 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1C(F)F ZINC000329464898 499125315 /nfs/dbraw/zinc/12/53/15/499125315.db2.gz VFDQROHNWOEFRA-OCCSQVGLSA-N 0 3 355.433 3.048 20 30 FGEDHN CC[C@H](C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)N1CCCC1=O ZINC000329519783 499128989 /nfs/dbraw/zinc/12/89/89/499128989.db2.gz ZWMITSCKLWAUCQ-HDMKZQKVSA-N 0 3 363.527 3.489 20 30 FGEDHN CC1CCN(C[C@@H](O)CNC(=O)c2scnc2C2CCCC2)CC1 ZINC000329525344 499129251 /nfs/dbraw/zinc/12/92/51/499129251.db2.gz QXWCOGWSZFYPFR-HNNXBMFYSA-N 0 3 351.516 3.198 20 30 FGEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000329530657 499129303 /nfs/dbraw/zinc/12/93/03/499129303.db2.gz VUKWYCUWULSCER-JKIFEVAISA-N 0 3 371.460 3.228 20 30 FGEDHN COc1cc([C@@H]2CCCN2CCCSCC#N)cc(OC)c1OC ZINC000369838654 499136302 /nfs/dbraw/zinc/13/63/02/499136302.db2.gz YKGRJYRSZXLMRC-HNNXBMFYSA-N 0 3 350.484 3.496 20 30 FGEDHN Cc1cccc(NC[C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)n1 ZINC000369901871 499148304 /nfs/dbraw/zinc/14/83/04/499148304.db2.gz ZRWWPNVAOKJXHQ-INIZCTEOSA-N 0 3 369.494 3.228 20 30 FGEDHN C=CCOc1cccc(CN2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000370224434 499199172 /nfs/dbraw/zinc/19/91/72/499199172.db2.gz ZYHGNSGRODYZRE-LJQANCHMSA-N 0 3 370.497 3.429 20 30 FGEDHN N#Cc1ccc2ncc(CN3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)n2c1 ZINC000367675730 499223860 /nfs/dbraw/zinc/22/38/60/499223860.db2.gz ZSQJIYXMVRZQAD-HKBOAZHASA-N 0 3 358.445 3.210 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)C2(C#N)CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000370640931 499238959 /nfs/dbraw/zinc/23/89/59/499238959.db2.gz WHWKPAGLFZDBGV-PKOBYXMFSA-N 0 3 371.529 3.126 20 30 FGEDHN Cc1nnc([C@H]2CC23CCN(CCCOc2ccc(C#N)cc2)CC3)o1 ZINC000370811698 499257113 /nfs/dbraw/zinc/25/71/13/499257113.db2.gz SOYZEMXFVGOQCJ-GOSISDBHSA-N 0 3 352.438 3.288 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000368258323 499279125 /nfs/dbraw/zinc/27/91/25/499279125.db2.gz QAFVEBUCLGJXMF-UHFFFAOYSA-N 0 3 363.461 3.248 20 30 FGEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1[C@@H]1CCCO1 ZINC000368585973 499310260 /nfs/dbraw/zinc/31/02/60/499310260.db2.gz VJKUAKQGXDQBFH-YJBOKZPZSA-N 0 3 373.522 3.326 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000368613948 499313958 /nfs/dbraw/zinc/31/39/58/499313958.db2.gz OJXMOISDOBYRAP-ICSRJNTNSA-N 0 3 362.477 3.281 20 30 FGEDHN CC(=O)N1CC[C@H](NCCOc2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000368635300 499316028 /nfs/dbraw/zinc/31/60/28/499316028.db2.gz PFCHAAJMCMOEST-NRFANRHFSA-N 0 3 367.424 3.159 20 30 FGEDHN Cc1nc(C)n(C[C@@H]2CCCCN2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000371385098 499318801 /nfs/dbraw/zinc/31/88/01/499318801.db2.gz WARVBVLTXJHQEF-KXBFYZLASA-N 0 3 353.470 3.241 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000371403431 499321533 /nfs/dbraw/zinc/32/15/33/499321533.db2.gz RCHFVRPQHUXGJI-FQEVSTJZSA-N 0 3 354.498 3.013 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)s1 ZINC000371675019 499353880 /nfs/dbraw/zinc/35/38/80/499353880.db2.gz JROAXQTVDSUTRM-CQSZACIVSA-N 0 3 353.426 3.122 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(OC3CCC(C)CC3)CC2)CC1 ZINC000369108742 499366285 /nfs/dbraw/zinc/36/62/85/499366285.db2.gz KWGQKKJOEGMFKW-UHFFFAOYSA-N 0 3 363.546 3.406 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000369343104 499393526 /nfs/dbraw/zinc/39/35/26/499393526.db2.gz LNEOCHCMDXRSRE-OAQYLSRUSA-N 0 3 371.525 3.494 20 30 FGEDHN CN1CC[C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC000369565594 499418975 /nfs/dbraw/zinc/41/89/75/499418975.db2.gz ZIOFRFGNKNGQPB-OXJNMPFZSA-N 0 3 369.490 3.002 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2ccccc2OCC#N)[C@H]1c1cccs1 ZINC000369568766 499419896 /nfs/dbraw/zinc/41/98/96/499419896.db2.gz MASJGNQUGAMXLG-KSSFIOAISA-N 0 3 355.463 3.073 20 30 FGEDHN C#CCCN1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000372384838 499426804 /nfs/dbraw/zinc/42/68/04/499426804.db2.gz MRZWBIPRLSUJBV-UHFFFAOYSA-N 0 3 356.363 3.318 20 30 FGEDHN Cc1ccc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000373401224 499467707 /nfs/dbraw/zinc/46/77/07/499467707.db2.gz WAKSPCALMWQCRT-OAQYLSRUSA-N 0 3 358.445 3.350 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000373499906 499473402 /nfs/dbraw/zinc/47/34/02/499473402.db2.gz BHXXBTJQIXROBQ-BVOGOJNSSA-N 0 3 369.509 3.080 20 30 FGEDHN CCc1nc([C@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000378349050 499505062 /nfs/dbraw/zinc/50/50/62/499505062.db2.gz IKOGRMIPGBNFNC-KRWDZBQOSA-N 0 3 353.470 3.361 20 30 FGEDHN C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000375381332 499512166 /nfs/dbraw/zinc/51/21/66/499512166.db2.gz SDSXISMZNRVGPN-PBHICJAKSA-N 0 3 366.431 3.039 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000378487795 499523174 /nfs/dbraw/zinc/52/31/74/499523174.db2.gz KBZUJJPLEZYNAQ-OGWOLHLISA-N 0 3 363.889 3.015 20 30 FGEDHN N#CCC1(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC000375537764 499529739 /nfs/dbraw/zinc/52/97/39/499529739.db2.gz SREMOKYPPXWTRN-HZPDHXFCSA-N 0 3 365.399 3.107 20 30 FGEDHN CC(C)N1CCN(CCCN2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000375594679 499536107 /nfs/dbraw/zinc/53/61/07/499536107.db2.gz BPZUMNFEABHFPK-YADHBBJMSA-N 0 3 354.542 3.174 20 30 FGEDHN C=CCN1CC[C@@H](N2CCC(n3c(CC)nc4ccccc43)CC2)C1=O ZINC000375600273 499536721 /nfs/dbraw/zinc/53/67/21/499536721.db2.gz XLNGDKYLXQOBEH-LJQANCHMSA-N 0 3 352.482 3.023 20 30 FGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1CCCN1C ZINC000573233779 506149314 /nfs/dbraw/zinc/14/93/14/506149314.db2.gz OZNIHOYTJUEEGK-CABCVRRESA-N 0 3 374.554 3.242 20 30 FGEDHN N#Cc1cc(NCCCN(Cc2ccccc2)Cc2ccccc2)ncn1 ZINC000390713543 499555254 /nfs/dbraw/zinc/55/52/54/499555254.db2.gz ZZZDZKDRGLIECN-UHFFFAOYSA-N 0 3 357.461 3.275 20 30 FGEDHN CN(C(=O)NCC(C)(C)CCC#N)C1CCN(CCc2ccccn2)CC1 ZINC000377044460 499656620 /nfs/dbraw/zinc/65/66/20/499656620.db2.gz PIYZFZNPSLBLBR-UHFFFAOYSA-N 0 3 371.529 3.060 20 30 FGEDHN N#Cc1ccc2c(c1)N(C(=O)c1ccc(CN3CCCCC3)cc1)CC(=O)N2 ZINC000411097062 499697833 /nfs/dbraw/zinc/69/78/33/499697833.db2.gz JIFAIUKRSAENOJ-UHFFFAOYSA-N 0 3 374.444 3.143 20 30 FGEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000411894196 499801483 /nfs/dbraw/zinc/80/14/83/499801483.db2.gz PTVOQLLFONVHKW-HBGVWJBISA-N 0 3 363.461 3.224 20 30 FGEDHN CO[C@](C)([C@@H](C)NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000411939335 499804806 /nfs/dbraw/zinc/80/48/06/499804806.db2.gz FKUDIGOYFMCQET-DYESRHJHSA-N 0 3 357.498 3.343 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412214861 499834860 /nfs/dbraw/zinc/83/48/60/499834860.db2.gz VJBNDYFBYXCSNK-LEWJYISDSA-N 0 3 365.452 3.391 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c(F)c1 ZINC000412558187 499863252 /nfs/dbraw/zinc/86/32/52/499863252.db2.gz KTCUPSIGIZOYMS-KRWDZBQOSA-N 0 3 350.397 3.080 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)NCc2ccc3c(c2)CNC3)cc1C#N ZINC000415310273 499885355 /nfs/dbraw/zinc/88/53/55/499885355.db2.gz VWDXPXOFVFWDME-UHFFFAOYSA-N 0 3 350.422 3.270 20 30 FGEDHN Cc1cc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413116510 499916054 /nfs/dbraw/zinc/91/60/54/499916054.db2.gz PDQFAQINPPGUDL-IYBDPMFKSA-N 0 3 372.469 3.101 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)C2CCCC2)nc1 ZINC000579399943 506165213 /nfs/dbraw/zinc/16/52/13/506165213.db2.gz WERCJBBSXMOLIZ-HXUWFJFHSA-N 0 3 369.490 3.248 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000415849606 499922225 /nfs/dbraw/zinc/92/22/25/499922225.db2.gz WJJGPSXPXLJKGE-LJQANCHMSA-N 0 3 365.477 3.122 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415955898 499933394 /nfs/dbraw/zinc/93/33/94/499933394.db2.gz NFVQCMVDDQNDRA-UHFFFAOYSA-N 0 3 373.428 3.167 20 30 FGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)N(C)C ZINC000413339409 499943188 /nfs/dbraw/zinc/94/31/88/499943188.db2.gz KWHBTFYISPLQGW-VQTJNVASSA-N 0 3 351.450 3.287 20 30 FGEDHN CN(C)[C@H](CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N)c1ccccc1 ZINC000416225226 499986280 /nfs/dbraw/zinc/98/62/80/499986280.db2.gz SCBGAUVQPNAPTN-SVFBPWRDSA-N 0 3 355.482 3.133 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(C#N)c(F)c3)C2)c(F)c1 ZINC000421330973 500019188 /nfs/dbraw/zinc/01/91/88/500019188.db2.gz YUVVGOKXYPRSMV-QGZVFWFLSA-N 0 3 352.388 3.467 20 30 FGEDHN N#Cc1ccc(CNc2ccccc2CN2CCC[C@@H](C(N)=O)C2)cc1F ZINC000421332098 500019214 /nfs/dbraw/zinc/01/92/14/500019214.db2.gz FJGAUCVHZDEPEB-GOSISDBHSA-N 0 3 366.440 3.007 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(F)c1 ZINC000413900045 500090886 /nfs/dbraw/zinc/09/08/86/500090886.db2.gz JXUNLGDOTAHJJA-UHFFFAOYSA-N 0 3 373.453 3.369 20 30 FGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(Br)cc1C ZINC000429718177 500130928 /nfs/dbraw/zinc/13/09/28/500130928.db2.gz IWQNPJOLWCCAPN-UHFFFAOYSA-N 0 3 368.319 3.136 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425535449 500136400 /nfs/dbraw/zinc/13/64/00/500136400.db2.gz SXCRCIMURADMTR-OTWHNJEPSA-N 0 3 354.498 3.279 20 30 FGEDHN CCN(C(=O)NCc1ccc(C#N)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000573354998 506178278 /nfs/dbraw/zinc/17/82/78/506178278.db2.gz QVGASMWGCGXHRA-QGZVFWFLSA-N 0 3 368.506 3.426 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000429916397 500166519 /nfs/dbraw/zinc/16/65/19/500166519.db2.gz AEDJFIDHNKFEKC-UONOGXRCSA-N 0 3 357.435 3.255 20 30 FGEDHN C=CCC[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccc(C(F)(F)F)cc1 ZINC000417942635 500201627 /nfs/dbraw/zinc/20/16/27/500201627.db2.gz SYPHCYOIJLECFK-HOTGVXAUSA-N 0 3 371.403 3.000 20 30 FGEDHN COCCCOc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430183825 500205793 /nfs/dbraw/zinc/20/57/93/500205793.db2.gz ZOIRFHKUTAWVAW-HXUWFJFHSA-N 0 3 367.449 3.022 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)OCC(=O)N3)s1 ZINC000430585816 500258463 /nfs/dbraw/zinc/25/84/63/500258463.db2.gz RIIWJRIGSPKFHI-LLVKDONJSA-N 0 3 355.419 3.262 20 30 FGEDHN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC1(CC#N)CC1 ZINC000430745313 500279032 /nfs/dbraw/zinc/27/90/32/500279032.db2.gz WVWXBJXBNFZQNE-AWEZNQCLSA-N 0 3 354.454 3.036 20 30 FGEDHN CCCC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)Nc1cc(C)on1 ZINC000419383339 500360316 /nfs/dbraw/zinc/36/03/16/500360316.db2.gz ZZIRPLUQWHATCN-RTBURBONSA-N 0 3 366.465 3.441 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000424072155 500447596 /nfs/dbraw/zinc/44/75/96/500447596.db2.gz CMTGULVMLMXBNT-UYAOXDASSA-N 0 3 360.461 3.437 20 30 FGEDHN COc1ccc(CN(Cc2ccccc2)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424091889 500451184 /nfs/dbraw/zinc/45/11/84/500451184.db2.gz FQMMCUOQNGLOEX-FQEVSTJZSA-N 0 3 351.450 3.245 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000424099901 500452690 /nfs/dbraw/zinc/45/26/90/500452690.db2.gz NCHYDJJPDATHTE-INIZCTEOSA-N 0 3 360.433 3.304 20 30 FGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](N)CCCC#N ZINC000424109637 500455009 /nfs/dbraw/zinc/45/50/09/500455009.db2.gz ASDISFRUEABLDH-OAHLLOKOSA-N 0 3 368.250 3.124 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000424119796 500457108 /nfs/dbraw/zinc/45/71/08/500457108.db2.gz DEVLLBYYQYZVTM-GJZGRUSLSA-N 0 3 372.469 3.464 20 30 FGEDHN COCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424187809 500465743 /nfs/dbraw/zinc/46/57/43/500465743.db2.gz WRQMEGHNIGQYJH-HUUCEWRRSA-N 0 3 358.269 3.208 20 30 FGEDHN C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424226117 500471678 /nfs/dbraw/zinc/47/16/78/500471678.db2.gz WREWVZJXJKOSBD-VQTJNVASSA-N 0 3 363.509 3.442 20 30 FGEDHN N#Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc2ccccc12 ZINC000428672665 500541345 /nfs/dbraw/zinc/54/13/45/500541345.db2.gz COJCZYVAGFEOCG-HXUWFJFHSA-N 0 3 372.472 3.231 20 30 FGEDHN C[C@@H](CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1)OCc1ccccc1 ZINC000428811421 500561028 /nfs/dbraw/zinc/56/10/28/500561028.db2.gz ZQBUTBTVDSQJIB-FXAWDEMLSA-N 0 3 351.450 3.402 20 30 FGEDHN C[C@H]1CN(CCCNc2ccc(Br)cc2C#N)CCCO1 ZINC000432878719 500583447 /nfs/dbraw/zinc/58/34/47/500583447.db2.gz NCMYDEBFMMFIRQ-ZDUSSCGKSA-N 0 3 352.276 3.234 20 30 FGEDHN CN(C)S(=O)(=O)c1cccc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433011131 500606217 /nfs/dbraw/zinc/60/62/17/500606217.db2.gz DRTMCNNLGAESGB-HXUWFJFHSA-N 0 3 371.506 3.462 20 30 FGEDHN CCc1ccc([C@@H]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000433069138 500618741 /nfs/dbraw/zinc/61/87/41/500618741.db2.gz BXUTULWKJKSKQF-NHCUHLMSSA-N 0 3 350.462 3.350 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000437248436 500620738 /nfs/dbraw/zinc/62/07/38/500620738.db2.gz FYDRPVUAKMLOBZ-UZLBHIALSA-N 0 3 369.465 3.120 20 30 FGEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000442832377 500632470 /nfs/dbraw/zinc/63/24/70/500632470.db2.gz BCXINKHDNJZSIC-YUELXQCFSA-N 0 3 351.372 3.088 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000433158303 500636791 /nfs/dbraw/zinc/63/67/91/500636791.db2.gz AIWZIZMQXAGHGA-IBGZPJMESA-N 0 3 373.460 3.208 20 30 FGEDHN COC[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCO1 ZINC000433207899 500647541 /nfs/dbraw/zinc/64/75/41/500647541.db2.gz LKJCMCICSVVSPP-YADHBBJMSA-N 0 3 366.461 3.421 20 30 FGEDHN COC[C@H](NCc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCO1 ZINC000433207898 500647860 /nfs/dbraw/zinc/64/78/60/500647860.db2.gz LKJCMCICSVVSPP-VXKWHMMOSA-N 0 3 366.461 3.421 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000433232493 500651854 /nfs/dbraw/zinc/65/18/54/500651854.db2.gz MIGCGKGBNZKLIH-HXUWFJFHSA-N 0 3 362.477 3.461 20 30 FGEDHN Cc1nc(C2(NC(=O)C(C#N)CCc3ccccc3)CCCCC2)no1 ZINC000433313727 500670057 /nfs/dbraw/zinc/67/00/57/500670057.db2.gz WRRMYJSMYVEZOS-KRWDZBQOSA-N 0 3 352.438 3.426 20 30 FGEDHN COc1cc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)ccc1C#N ZINC000443066890 500673330 /nfs/dbraw/zinc/67/33/30/500673330.db2.gz IPQVUWRVLGOSEW-IRXDYDNUSA-N 0 3 374.485 3.068 20 30 FGEDHN C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000433369486 500682553 /nfs/dbraw/zinc/68/25/53/500682553.db2.gz XHHLAACLUFWPHI-FPOVZHCZSA-N 0 3 365.477 3.411 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3cccc(F)c3)on2)CC1 ZINC000448098933 500718322 /nfs/dbraw/zinc/71/83/22/500718322.db2.gz OIQWKEZZOLXVSD-UHFFFAOYSA-N 0 3 358.417 3.065 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000573553193 506211035 /nfs/dbraw/zinc/21/10/35/506211035.db2.gz XYMYRWBNHMORSB-GJYPPUQNSA-N 0 3 367.497 3.059 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000438446781 500786443 /nfs/dbraw/zinc/78/64/43/500786443.db2.gz GELNSRYWRNOVAC-HKBOAZHASA-N 0 3 371.525 3.274 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCSC(C)(C)CC2)c(OC)c1 ZINC000434685327 500879412 /nfs/dbraw/zinc/87/94/12/500879412.db2.gz NTWWWRWSXZETOP-KRWDZBQOSA-N 0 3 365.539 3.381 20 30 FGEDHN CCCCO[C@@H]1C[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000434858115 500902730 /nfs/dbraw/zinc/90/27/30/500902730.db2.gz MEHIDJONYHSPBN-OWCLPIDISA-N 0 3 361.511 3.298 20 30 FGEDHN COc1ccc(C2(NCCOc3ccccc3C#N)CCOCC2)cc1F ZINC000444821131 500907404 /nfs/dbraw/zinc/90/74/04/500907404.db2.gz YOLPCUMFZNNSQC-UHFFFAOYSA-N 0 3 370.424 3.380 20 30 FGEDHN C[C@H](N[C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611589740 506223622 /nfs/dbraw/zinc/22/36/22/506223622.db2.gz VWRUCKWYKZUZKM-JTSKRJEESA-N 0 3 367.468 3.375 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000449446268 501005279 /nfs/dbraw/zinc/00/52/79/501005279.db2.gz PRVOBMWUNUMHRU-STQMWFEESA-N 0 3 360.259 3.202 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000449517116 501023194 /nfs/dbraw/zinc/02/31/94/501023194.db2.gz DTZBLIDLVHDKFF-KGLIPLIRSA-N 0 3 354.244 3.044 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H](CC)[C@H](C)O)cc1OC ZINC000449532874 501027253 /nfs/dbraw/zinc/02/72/53/501027253.db2.gz ARAXQRVJZYUXGI-SMDDNHRTSA-N 0 3 358.276 3.272 20 30 FGEDHN CC(C)c1ccc2ncc(C#N)c(NCCN3CCN(C)C(C)(C)C3)c2c1 ZINC000440663820 501036555 /nfs/dbraw/zinc/03/65/55/501036555.db2.gz JNZNHBVKBFCZBQ-UHFFFAOYSA-N 0 3 365.525 3.090 20 30 FGEDHN COc1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1C#N ZINC000440821400 501053123 /nfs/dbraw/zinc/05/31/23/501053123.db2.gz AXYLGMYKBPHOIY-SFHVURJKSA-N 0 3 364.424 3.336 20 30 FGEDHN C=C(CC)CNCc1cc(I)c(OC)c(OC)c1 ZINC000449734515 501071428 /nfs/dbraw/zinc/07/14/28/501071428.db2.gz RRAFKDCXWVJYMO-UHFFFAOYSA-N 0 3 361.223 3.364 20 30 FGEDHN N#Cc1cccc(NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000450355074 501098747 /nfs/dbraw/zinc/09/87/47/501098747.db2.gz BBIZKCNXNIKWMQ-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN CS[C@@H]1CN(c2nc3ccccc3c(C)c2C#N)C[C@H]1N1CCCC1 ZINC000450450323 501124679 /nfs/dbraw/zinc/12/46/79/501124679.db2.gz CITHBAXQBZRTCH-RTBURBONSA-N 0 3 352.507 3.431 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)[nH]c1C ZINC000450002362 501151105 /nfs/dbraw/zinc/15/11/05/501151105.db2.gz HOLXJARKKXXQRN-SFHVURJKSA-N 0 3 350.466 3.179 20 30 FGEDHN C=CCOc1ccc(CC(=O)Nc2cc(C)nn2C2CCN(C)CC2)cc1 ZINC000450121284 501186508 /nfs/dbraw/zinc/18/65/08/501186508.db2.gz VVADZYKVXUEFJF-UHFFFAOYSA-N 0 3 368.481 3.204 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442185729 501205486 /nfs/dbraw/zinc/20/54/86/501205486.db2.gz BAXPOLNXZUWLRJ-UHFFFAOYSA-N 0 3 356.348 3.015 20 30 FGEDHN CC(C)(CNc1ncc(C#N)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000450243558 501217894 /nfs/dbraw/zinc/21/78/94/501217894.db2.gz CKWQSNZNSSJXDA-UHFFFAOYSA-N 0 3 351.410 3.110 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc(I)cn2)CC1 ZINC000450321161 501233112 /nfs/dbraw/zinc/23/31/12/501233112.db2.gz ZDZARUSULOCVHE-UHFFFAOYSA-N 0 3 357.239 3.139 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1C ZINC000451424014 501290215 /nfs/dbraw/zinc/29/02/15/501290215.db2.gz SKCJYEJJIRZWIZ-TYPHKJRUSA-N 0 3 369.509 3.176 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C12CCC2 ZINC000451470250 501299722 /nfs/dbraw/zinc/29/97/22/501299722.db2.gz GCLJZQCXSHLWGK-KFKAGJAMSA-N 0 3 373.472 3.398 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C1(C)C ZINC000451492516 501305299 /nfs/dbraw/zinc/30/52/99/501305299.db2.gz JNWGMESJALLKAH-KBRIMQKVSA-N 0 3 361.511 3.280 20 30 FGEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(F)c(I)c1 ZINC000453355570 501319194 /nfs/dbraw/zinc/31/91/94/501319194.db2.gz MLAUFGZWIHEVOM-CMPLNLGQSA-N 0 3 363.214 3.408 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453426054 501329122 /nfs/dbraw/zinc/32/91/22/501329122.db2.gz PWWAWLRRMOLFKD-GOSISDBHSA-N 0 3 369.513 3.270 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453433158 501330766 /nfs/dbraw/zinc/33/07/66/501330766.db2.gz FYSRONFJNCRPSZ-INIZCTEOSA-N 0 3 373.476 3.103 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453452297 501335836 /nfs/dbraw/zinc/33/58/36/501335836.db2.gz SWTJZELVQLEKHF-SFHVURJKSA-N 0 3 369.513 3.272 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000451670852 501347867 /nfs/dbraw/zinc/34/78/67/501347867.db2.gz DKLQWBTYMWLEFL-MSOLQXFVSA-N 0 3 361.873 3.218 20 30 FGEDHN CC(C)OCCN1CCC(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455827578 501394535 /nfs/dbraw/zinc/39/45/35/501394535.db2.gz OCRYNKZYTAQKQT-UHFFFAOYSA-N 0 3 371.525 3.133 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(C#N)c(F)c1)N(C)C ZINC000458750691 501522181 /nfs/dbraw/zinc/52/21/81/501522181.db2.gz AIPOOHAHFBRHDR-FOIQADDNSA-N 0 3 368.456 3.496 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C#N)N(C)C)cc1 ZINC000458756548 501523856 /nfs/dbraw/zinc/52/38/56/501523856.db2.gz JZARKRXBGVYQGK-SFHVURJKSA-N 0 3 360.502 3.268 20 30 FGEDHN C=CC(C)(C)CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000458990304 501572553 /nfs/dbraw/zinc/57/25/53/501572553.db2.gz RJMCOFXRJZNAEW-CALCHBBNSA-N 0 3 351.535 3.120 20 30 FGEDHN CN(Cc1ccccn1)[C@H]1CCCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459226976 501616358 /nfs/dbraw/zinc/61/63/58/501616358.db2.gz AXOGROCKJSTPNK-SFHVURJKSA-N 0 3 357.502 3.017 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N ZINC000459263007 501621221 /nfs/dbraw/zinc/62/12/21/501621221.db2.gz WLZBOQABAKYLGC-IBGZPJMESA-N 0 3 356.514 3.480 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000454902906 501652237 /nfs/dbraw/zinc/65/22/37/501652237.db2.gz OMWSTSTWZXDAOF-UXHICEINSA-N 0 3 371.525 3.322 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)Nc2snc(C)c2C#N)N(C)C)cc1 ZINC000459552464 501675084 /nfs/dbraw/zinc/67/50/84/501675084.db2.gz UAUJVXYWQAFKEC-INIZCTEOSA-N 0 3 357.483 3.310 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1C#N ZINC000459572293 501679056 /nfs/dbraw/zinc/67/90/56/501679056.db2.gz UCHAKUQKIOHIJF-XJKSGUPXSA-N 0 3 357.483 3.445 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000459741029 501706816 /nfs/dbraw/zinc/70/68/16/501706816.db2.gz BRTDDVWSYPVYOG-FHLIZLRMSA-N 0 3 373.522 3.424 20 30 FGEDHN C=CCCCN(C)C(=O)C(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000460060898 501725733 /nfs/dbraw/zinc/72/57/33/501725733.db2.gz UENKCUVJQQFYPZ-QUCCMNQESA-N 0 3 371.525 3.095 20 30 FGEDHN C=CCC(CC=C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000467363543 501777825 /nfs/dbraw/zinc/77/78/25/501777825.db2.gz CEKRTBXQBICUDB-UHFFFAOYSA-N 0 3 355.526 3.031 20 30 FGEDHN CCN(CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470729639 501784354 /nfs/dbraw/zinc/78/43/54/501784354.db2.gz JIALSQADTIFREF-FQEVSTJZSA-N 0 3 360.461 3.273 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccnc2OC2CCCC2)cc1 ZINC000470820550 501817057 /nfs/dbraw/zinc/81/70/57/501817057.db2.gz KBUXCBLXKUSWIM-LJQANCHMSA-N 0 3 374.444 3.273 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Br)cc2)cc1 ZINC000470848376 501827891 /nfs/dbraw/zinc/82/78/91/501827891.db2.gz LILTVKMHADKTKI-INIZCTEOSA-N 0 3 368.234 3.319 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCN(c3ccccc3)CC2)cc1 ZINC000470892256 501844425 /nfs/dbraw/zinc/84/44/25/501844425.db2.gz QPUPQFIKMGZDCQ-IBGZPJMESA-N 0 3 358.445 3.026 20 30 FGEDHN CS(=O)(=O)Nc1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481674530 501846143 /nfs/dbraw/zinc/84/61/43/501846143.db2.gz WJIOKVBDBYXEGB-HXUWFJFHSA-N 0 3 369.490 3.487 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000470916586 501854031 /nfs/dbraw/zinc/85/40/31/501854031.db2.gz JYAWYRQEVKBFPR-SFHVURJKSA-N 0 3 355.434 3.233 20 30 FGEDHN CN1CCC(NC(=O)Nc2ccc(NC(=O)CCCCCC#N)cc2)CC1 ZINC000588375637 506281976 /nfs/dbraw/zinc/28/19/76/506281976.db2.gz NNQOJGDKIKXTGD-UHFFFAOYSA-N 0 3 371.485 3.315 20 30 FGEDHN C=C(C)COCCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000474803351 501957274 /nfs/dbraw/zinc/95/72/74/501957274.db2.gz AOQSXDQHNWJZPK-QFIPXVFZSA-N 0 3 371.525 3.277 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C[C@@H]1C ZINC000460920290 501958734 /nfs/dbraw/zinc/95/87/34/501958734.db2.gz BFYIPIWOMYVWPB-DLBZAZTESA-N 0 3 366.513 3.392 20 30 FGEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000468488121 502078602 /nfs/dbraw/zinc/07/86/02/502078602.db2.gz OBTUFZUZCBDJKJ-IBGZPJMESA-N 0 3 357.498 3.344 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCCOC)Cc2ccccc2)CC1 ZINC000471811738 502143704 /nfs/dbraw/zinc/14/37/04/502143704.db2.gz SYOQVBIJFMOPEG-NRFANRHFSA-N 0 3 373.541 3.364 20 30 FGEDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000464932823 502149688 /nfs/dbraw/zinc/14/96/88/502149688.db2.gz DSARNIROUSQYDV-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1[C@H]1COc2ccccc2O1 ZINC000479201126 502191787 /nfs/dbraw/zinc/19/17/87/502191787.db2.gz AINOFQYDGDMHDD-CZUORRHYSA-N 0 3 360.483 3.019 20 30 FGEDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475588444 502220550 /nfs/dbraw/zinc/22/05/50/502220550.db2.gz HHWMNVABUIFWSC-KRWDZBQOSA-N 0 3 355.548 3.034 20 30 FGEDHN CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000465411191 502253997 /nfs/dbraw/zinc/25/39/97/502253997.db2.gz VSLIUEUTHWABLT-GZRFBZBPSA-N 0 3 361.461 3.254 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000483108037 502274582 /nfs/dbraw/zinc/27/45/82/502274582.db2.gz SEVXTFATWQVJHP-QGZVFWFLSA-N 0 3 374.529 3.462 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(CC2CCC2)[C@H](C)CO)c1 ZINC000483130957 502284102 /nfs/dbraw/zinc/28/41/02/502284102.db2.gz AJXUBAFZMWOCDL-GOSISDBHSA-N 0 3 357.498 3.033 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nc2cc(C)ccc2[nH]1)C(C)C ZINC000465536219 502295502 /nfs/dbraw/zinc/29/55/02/502295502.db2.gz AJLKGGCEJZVIDS-IBGZPJMESA-N 0 3 369.513 3.369 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000465536219 502295504 /nfs/dbraw/zinc/29/55/04/502295504.db2.gz AJLKGGCEJZVIDS-IBGZPJMESA-N 0 3 369.513 3.369 20 30 FGEDHN N#CC(C(=O)c1ccc(Cn2cccn2)cc1)c1cnc2ccccc2n1 ZINC000483208876 502314031 /nfs/dbraw/zinc/31/40/31/502314031.db2.gz ALBMUSQCSPCLON-KRWDZBQOSA-N 0 3 353.385 3.365 20 30 FGEDHN N#CC(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nccc2ccccc21 ZINC000483231307 502321086 /nfs/dbraw/zinc/32/10/86/502321086.db2.gz JAHLYVFHZYAMDR-CQSZACIVSA-N 0 3 361.313 3.362 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1)C(C)C ZINC000476026701 502361512 /nfs/dbraw/zinc/36/15/12/502361512.db2.gz CGOJLBNNDCGDJB-FXAWDEMLSA-N 0 3 372.557 3.453 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000476026701 502361515 /nfs/dbraw/zinc/36/15/15/502361515.db2.gz CGOJLBNNDCGDJB-FXAWDEMLSA-N 0 3 372.557 3.453 20 30 FGEDHN COc1ccccc1C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000472516356 502376438 /nfs/dbraw/zinc/37/64/38/502376438.db2.gz DOVAGRIYCMSRBO-LJQANCHMSA-N 0 3 373.456 3.487 20 30 FGEDHN Cc1nc(SCC(=O)N[C@H](C)CN2CCCCCC2)c(C#N)c(C)c1C ZINC000479792417 502379193 /nfs/dbraw/zinc/37/91/93/502379193.db2.gz KGJYOWMAHDHTCM-CQSZACIVSA-N 0 3 374.554 3.351 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN([C@@H](C)CO)C2CCCC2)c1 ZINC000472640133 502408354 /nfs/dbraw/zinc/40/83/54/502408354.db2.gz FSXICYJAXNTKTD-SFHVURJKSA-N 0 3 357.498 3.176 20 30 FGEDHN Cn1cc(CNCCOc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479895491 502411592 /nfs/dbraw/zinc/41/15/92/502411592.db2.gz XMIHNQPGGWDLOJ-UHFFFAOYSA-N 0 3 350.397 3.266 20 30 FGEDHN Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)n(C2CCN(C)CC2)n1 ZINC000476287241 502444105 /nfs/dbraw/zinc/44/41/05/502444105.db2.gz WIDNQSLLFCJNOP-SFHVURJKSA-N 0 3 365.481 3.484 20 30 FGEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469581315 502469648 /nfs/dbraw/zinc/46/96/48/502469648.db2.gz VMOBIBYGVHBEBX-DNVCBOLYSA-N 0 3 350.466 3.158 20 30 FGEDHN N#Cc1cc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)ccc1F ZINC000469621768 502483895 /nfs/dbraw/zinc/48/38/95/502483895.db2.gz NAXMRHSTCGKMPM-CQSZACIVSA-N 0 3 357.454 3.401 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@@H](C2CCC2)C1)C(C)C ZINC000487829640 502541299 /nfs/dbraw/zinc/54/12/99/502541299.db2.gz DNSKXJNVPKSEQM-PMACEKPBSA-N 0 3 363.546 3.143 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](CSC)C1)C(C)C ZINC000487835665 502542959 /nfs/dbraw/zinc/54/29/59/502542959.db2.gz LVAAUASCDZKGOW-QZTJIDSGSA-N 0 3 353.576 3.470 20 30 FGEDHN CN1CCC(Oc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)CC1 ZINC000596227787 506320128 /nfs/dbraw/zinc/32/01/28/506320128.db2.gz ZVUUIKUSUUXRRS-UHFFFAOYSA-N 0 3 362.886 3.175 20 30 FGEDHN CC(C)[C@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1C ZINC000487963783 502582958 /nfs/dbraw/zinc/58/29/58/502582958.db2.gz NDMLGSCUAMCZQY-SJLPKXTDSA-N 0 3 374.554 3.291 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CC[C@H](C)O1 ZINC000473401256 502585346 /nfs/dbraw/zinc/58/53/46/502585346.db2.gz LZKVZTMLDPJSRT-HOTGVXAUSA-N 0 3 350.532 3.152 20 30 FGEDHN C=CCOc1ccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)cc1OC ZINC000462861814 502603255 /nfs/dbraw/zinc/60/32/55/502603255.db2.gz TXJXREOCBNIEJX-HXUWFJFHSA-N 0 3 368.477 3.439 20 30 FGEDHN CN(C)CCOc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccn1 ZINC000480579040 502609855 /nfs/dbraw/zinc/60/98/55/502609855.db2.gz OIULEZNIXJTBJN-KRWDZBQOSA-N 0 3 352.438 3.048 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000473496154 502610906 /nfs/dbraw/zinc/61/09/06/502610906.db2.gz MMCPADGSYHLHBH-UGKGYDQZSA-N 0 3 356.510 3.482 20 30 FGEDHN C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCCC[C@@H]1C ZINC000466596964 502618714 /nfs/dbraw/zinc/61/87/14/502618714.db2.gz MQTNEJUBWRYKOM-HOTGVXAUSA-N 0 3 359.474 3.149 20 30 FGEDHN COCCN(C)CCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000484587260 502677201 /nfs/dbraw/zinc/67/72/01/502677201.db2.gz ANIJBXROEOEOPP-UHFFFAOYSA-N 0 3 367.449 3.049 20 30 FGEDHN C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1[C@@H]1COc2ccccc2O1 ZINC000473798704 502709223 /nfs/dbraw/zinc/70/92/23/502709223.db2.gz OMMGEAABTDXCSN-PBHICJAKSA-N 0 3 372.494 3.020 20 30 FGEDHN C=CCN1CC[C@@H](N(C)CCCCCn2c(C)nc3ccccc32)C1=O ZINC000463206734 502718989 /nfs/dbraw/zinc/71/89/89/502718989.db2.gz SAWHLXXLCXXWEP-HXUWFJFHSA-N 0 3 354.498 3.234 20 30 FGEDHN COCCN(CCCOc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000477285124 502729669 /nfs/dbraw/zinc/72/96/69/502729669.db2.gz YENUGPDOYCJHKI-UHFFFAOYSA-N 0 3 368.433 3.204 20 30 FGEDHN COc1cnccc1N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000481031913 502734528 /nfs/dbraw/zinc/73/45/28/502734528.db2.gz BLFGDYDMKREKCQ-UHFFFAOYSA-N 0 3 362.355 3.307 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCc2cc(OC)ccc21)C(C)C ZINC000481196026 502779637 /nfs/dbraw/zinc/77/96/37/502779637.db2.gz IKTFYHWAGOSAFP-HXUWFJFHSA-N 0 3 357.498 3.466 20 30 FGEDHN CN1CCN(CCCNc2cccc(F)c2C#N)[C@@H](c2ccccc2)C1 ZINC000513108549 502853978 /nfs/dbraw/zinc/85/39/78/502853978.db2.gz PJFLVIRFGXRYOP-OAQYLSRUSA-N 0 3 352.457 3.488 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cncc(Br)c1)C(C)C ZINC000495964297 502867988 /nfs/dbraw/zinc/86/79/88/502867988.db2.gz BOBUYPXPXVHMNP-MRXNPFEDSA-N 0 3 366.303 3.273 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCCN1CC ZINC000496652804 502898332 /nfs/dbraw/zinc/89/83/32/502898332.db2.gz UPDQXOYPXJJHIY-LJQANCHMSA-N 0 3 361.534 3.426 20 30 FGEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000509444814 502905594 /nfs/dbraw/zinc/90/55/94/502905594.db2.gz VRLWEPQPJDFCTJ-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN C=CCCCS(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000489489814 502971517 /nfs/dbraw/zinc/97/15/17/502971517.db2.gz MSLHSYPUNXQOEL-HKUYNNGSSA-N 0 3 350.528 3.267 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc(C#N)c2C)cc1 ZINC000513626775 502984624 /nfs/dbraw/zinc/98/46/24/502984624.db2.gz DCBRTQYBQGBEPP-OAQYLSRUSA-N 0 3 363.461 3.442 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(c2ccc(F)cn2)CC1 ZINC000602906693 506345525 /nfs/dbraw/zinc/34/55/25/506345525.db2.gz ZJPJRLSDBPSYMD-UHFFFAOYSA-N 0 3 358.442 3.362 20 30 FGEDHN C=CCCCS(=O)(=O)NC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000489679556 503009577 /nfs/dbraw/zinc/00/95/77/503009577.db2.gz BAOXCIVXWSOMTF-IRXDYDNUSA-N 0 3 350.528 3.029 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599150102 506347206 /nfs/dbraw/zinc/34/72/06/506347206.db2.gz XPZNYXOMKIXRLP-UYAOXDASSA-N 0 3 352.482 3.252 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000506020721 503029745 /nfs/dbraw/zinc/02/97/45/503029745.db2.gz AGVUGOOJTGTHJB-UHFFFAOYSA-N 0 3 351.425 3.107 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC(C)(C)C#N ZINC000501762491 503073934 /nfs/dbraw/zinc/07/39/34/503073934.db2.gz ATZKKDHBWJIETQ-UHFFFAOYSA-N 0 3 366.303 3.279 20 30 FGEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000514239800 503122249 /nfs/dbraw/zinc/12/22/49/503122249.db2.gz RZZSWMOUFIWNMX-SQNIBIBYSA-N 0 3 373.497 3.116 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000514245278 503124796 /nfs/dbraw/zinc/12/47/96/503124796.db2.gz VGWRTPUBPUQMLA-KRWDZBQOSA-N 0 3 365.477 3.352 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)COc1ccccc1C#N)N(C)C ZINC000510510924 503129922 /nfs/dbraw/zinc/12/99/22/503129922.db2.gz JRFFKEWQZIPHMQ-KKSFZXQISA-N 0 3 351.450 3.053 20 30 FGEDHN C[C@H](NCCCn1cc(Br)cn1)c1ccc(C#N)cc1F ZINC000490239757 503139127 /nfs/dbraw/zinc/13/91/27/503139127.db2.gz GIFFCSVYLJLYHQ-NSHDSACASA-N 0 3 351.223 3.397 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510874767 503208479 /nfs/dbraw/zinc/20/84/79/503208479.db2.gz POSXQIVBTHMIPW-DZGCQCFKSA-N 0 3 353.388 3.400 20 30 FGEDHN COc1cc(CN[C@@H](C)[C@H](c2ccccc2)N2CCOCC2)ccc1C#N ZINC000514895203 503221793 /nfs/dbraw/zinc/22/17/93/503221793.db2.gz XZKNWGWPISDYBR-HTAPYJJXSA-N 0 3 365.477 3.118 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000507182780 503245461 /nfs/dbraw/zinc/24/54/61/503245461.db2.gz NPFGGAOOCKGRQF-OAQYLSRUSA-N 0 3 368.452 3.392 20 30 FGEDHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000498737246 503252727 /nfs/dbraw/zinc/25/27/27/503252727.db2.gz NCCCSAQOEZLBIG-QGZVFWFLSA-N 0 3 363.461 3.303 20 30 FGEDHN CCCCN(C)CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000491025655 503261861 /nfs/dbraw/zinc/26/18/61/503261861.db2.gz WWGZIHYFKQAPAA-UHFFFAOYSA-N 0 3 372.513 3.279 20 30 FGEDHN COc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000515094027 503270143 /nfs/dbraw/zinc/27/01/43/503270143.db2.gz YFABWTJXEDMREK-UHFFFAOYSA-N 0 3 368.437 3.039 20 30 FGEDHN C[C@@H]1C[C@@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000491205358 503286291 /nfs/dbraw/zinc/28/62/91/503286291.db2.gz NFKMUVQUDDMFGA-SJORKVTESA-N 0 3 350.466 3.044 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CCC[C@@H]1CCO ZINC000502856141 503290883 /nfs/dbraw/zinc/29/08/83/503290883.db2.gz OOYDQLHCHBMTHR-OAGGEKHMSA-N 0 3 361.511 3.018 20 30 FGEDHN C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CN1Cc1ccccc1 ZINC000582682933 506363651 /nfs/dbraw/zinc/36/36/51/506363651.db2.gz HKIVUBWHRZQZND-DYVFJYSZSA-N 0 3 351.410 3.124 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H]2CCC2(C)C)c1C#N ZINC000515494971 503351017 /nfs/dbraw/zinc/35/10/17/503351017.db2.gz BDVMLMNQOWRIAP-QGZVFWFLSA-N 0 3 354.454 3.335 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)[C@H](C(F)(F)F)C1 ZINC000507757600 503361349 /nfs/dbraw/zinc/36/13/49/503361349.db2.gz JLXCPFWAWOKSAN-MGPQQGTHSA-N 0 3 359.436 3.436 20 30 FGEDHN C=CCN(CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000507781211 503365327 /nfs/dbraw/zinc/36/53/27/503365327.db2.gz ZINVYFSYWVRQMV-UHFFFAOYSA-N 0 3 351.450 3.091 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503378726 503397689 /nfs/dbraw/zinc/39/76/89/503397689.db2.gz UDHWGCBGOFDYKL-ROUUACIJSA-N 0 3 358.530 3.212 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511842358 503399127 /nfs/dbraw/zinc/39/91/27/503399127.db2.gz JYPMEJAIGFIHDX-FQEVSTJZSA-N 0 3 362.521 3.369 20 30 FGEDHN N#Cc1ccsc1NC(=O)CN[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000503526492 503430006 /nfs/dbraw/zinc/43/00/06/503430006.db2.gz PJSUTFGPVQEYIL-DLBZAZTESA-N 0 3 355.463 3.286 20 30 FGEDHN Cc1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1C#N ZINC000593066491 506371313 /nfs/dbraw/zinc/37/13/13/506371313.db2.gz FIIVYDZLMLNCAK-PKTZIBPZSA-N 0 3 361.489 3.342 20 30 FGEDHN N#Cc1c(F)cccc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593067999 506371434 /nfs/dbraw/zinc/37/14/34/506371434.db2.gz OGEGRVVEFNDRBY-FGZHOGPDSA-N 0 3 365.452 3.173 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000493688749 503440226 /nfs/dbraw/zinc/44/02/26/503440226.db2.gz XIHOHXSHDZQYNA-BJZITVGISA-N 0 3 361.511 3.160 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000493688751 503440700 /nfs/dbraw/zinc/44/07/00/503440700.db2.gz XIHOHXSHDZQYNA-LJHODMEESA-N 0 3 361.511 3.160 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000493785665 503446132 /nfs/dbraw/zinc/44/61/32/503446132.db2.gz JOYGUEGYJJILDP-FUHWJXTLSA-N 0 3 362.518 3.049 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000516149070 503456272 /nfs/dbraw/zinc/45/62/72/503456272.db2.gz QIUIQLDRJAHECA-OIISXLGYSA-N 0 3 372.465 3.378 20 30 FGEDHN Cc1ccc(F)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1F ZINC000499727745 503468405 /nfs/dbraw/zinc/46/84/05/503468405.db2.gz VEQZSUYIEMNHSE-UHFFFAOYSA-N 0 3 357.404 3.349 20 30 FGEDHN C=CCn1c(CCCc2cccs2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508497463 503506318 /nfs/dbraw/zinc/50/63/18/503506318.db2.gz LJBBISCFNRAMOV-SFHVURJKSA-N 0 3 373.570 3.477 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(CC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494236447 503509481 /nfs/dbraw/zinc/50/94/81/503509481.db2.gz DDEZKDYXOYJVLL-UYAOXDASSA-N 0 3 355.388 3.092 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000504088257 503520372 /nfs/dbraw/zinc/52/03/72/503520372.db2.gz ZIFVXRDQFDHELF-LJQANCHMSA-N 0 3 369.509 3.221 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000504127205 503527090 /nfs/dbraw/zinc/52/70/90/503527090.db2.gz ZEGYIEHQYRYZQU-JYBIWHBTSA-N 0 3 359.514 3.267 20 30 FGEDHN C=CC[C@@H](CO)CNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494396163 503535361 /nfs/dbraw/zinc/53/53/61/503535361.db2.gz WNBPOLJYCGWGIR-OAHLLOKOSA-N 0 3 353.388 3.224 20 30 FGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000512409791 503540849 /nfs/dbraw/zinc/54/08/49/503540849.db2.gz OZUHUEWVJQOTGN-PZJWPPBQSA-N 0 3 370.541 3.056 20 30 FGEDHN C=CCSCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508878407 503586326 /nfs/dbraw/zinc/58/63/26/503586326.db2.gz HOJHKWJEOYAYOD-QGZVFWFLSA-N 0 3 372.456 3.476 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(CC)CC ZINC000494721869 503600586 /nfs/dbraw/zinc/60/05/86/503600586.db2.gz WWXRYHYOKPNCQF-GUDVDZBRSA-N 0 3 355.482 3.237 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508950969 503606380 /nfs/dbraw/zinc/60/63/80/503606380.db2.gz LDQDXUQURHNDHR-IBGZPJMESA-N 0 3 369.513 3.128 20 30 FGEDHN C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512665718 503607051 /nfs/dbraw/zinc/60/70/51/503607051.db2.gz HGAKAIPTBQUXDF-IIBYNOLFSA-N 0 3 353.441 3.421 20 30 FGEDHN C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512665717 503607398 /nfs/dbraw/zinc/60/73/98/503607398.db2.gz HGAKAIPTBQUXDF-IERDGZPVSA-N 0 3 353.441 3.421 20 30 FGEDHN C=C(C)[C@@H](CC(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1)OCC ZINC000500408294 503617036 /nfs/dbraw/zinc/61/70/36/503617036.db2.gz JJCSVWSOJWCVQR-WOJBJXKFSA-N 0 3 360.498 3.320 20 30 FGEDHN N#Cc1ncn(CCNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)n1 ZINC000512903797 503651986 /nfs/dbraw/zinc/65/19/86/503651986.db2.gz HBIQBOOSTAXHDB-UHFFFAOYSA-N 0 3 361.327 3.218 20 30 FGEDHN CC(C)C(=O)Nc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000495221586 503703727 /nfs/dbraw/zinc/70/37/27/503703727.db2.gz QAYUJXVBIYZADG-AWEZNQCLSA-N 0 3 361.405 3.053 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)n1cnc2ccccc21)C(C)C ZINC000533043380 503711085 /nfs/dbraw/zinc/71/10/85/503711085.db2.gz TVIZTANUXIFDQL-YLJYHZDGSA-N 0 3 354.498 3.412 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540246962 503723546 /nfs/dbraw/zinc/72/35/46/503723546.db2.gz ICVITNDZXURXLN-GUDVDZBRSA-N 0 3 371.525 3.209 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CNC1(c2ccc(OC)cc2)CC1 ZINC000537058363 503791642 /nfs/dbraw/zinc/79/16/42/503791642.db2.gz YRIXZYHHMDSOCV-IBGZPJMESA-N 0 3 353.462 3.442 20 30 FGEDHN N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](Cc4ccc(F)cc4)C3)C2=O)cc1 ZINC000533299482 503796532 /nfs/dbraw/zinc/79/65/32/503796532.db2.gz CSJAFOUYCFDPCY-GHTZIAJQSA-N 0 3 363.436 3.367 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000537110489 503805684 /nfs/dbraw/zinc/80/56/84/503805684.db2.gz DBQXPQUXPOHFGC-SFHVURJKSA-N 0 3 371.868 3.225 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000543619757 503830595 /nfs/dbraw/zinc/83/05/95/503830595.db2.gz NDVZYNUMSNLPDF-GOSISDBHSA-N 0 3 355.482 3.392 20 30 FGEDHN C[C@@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000540701233 503859608 /nfs/dbraw/zinc/85/96/08/503859608.db2.gz CNBDOJQNBDRATH-BEFAXECRSA-N 0 3 372.513 3.398 20 30 FGEDHN CN(CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000543714425 503864729 /nfs/dbraw/zinc/86/47/29/503864729.db2.gz MPZQPYGSWWYXJG-UHFFFAOYSA-N 0 3 361.367 3.095 20 30 FGEDHN C=CCSCCN[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000543763623 503884968 /nfs/dbraw/zinc/88/49/68/503884968.db2.gz WRBBCMGBFGVNGQ-OAHLLOKOSA-N 0 3 356.557 3.287 20 30 FGEDHN COc1cc(C[C@H](CO)CN[C@H](C)c2ccc(C#N)c(F)c2)cc(OC)c1 ZINC000537408333 503905354 /nfs/dbraw/zinc/90/53/54/503905354.db2.gz VFBWTJFRJKKKTD-ZBFHGGJFSA-N 0 3 372.440 3.216 20 30 FGEDHN C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000540989120 503966150 /nfs/dbraw/zinc/96/61/50/503966150.db2.gz VQVYQWOCXNVONY-KXBFYZLASA-N 0 3 353.441 3.115 20 30 FGEDHN CC(C)(C)OC(=O)CCCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000544069631 503995841 /nfs/dbraw/zinc/99/58/41/503995841.db2.gz INISXVWIHFRQMV-UHFFFAOYSA-N 0 3 371.481 3.331 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000518519596 504008111 /nfs/dbraw/zinc/00/81/11/504008111.db2.gz YSQSEGGAGYQJQC-MGPUTAFESA-N 0 3 358.388 3.243 20 30 FGEDHN CS[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1N(C)C ZINC000534092275 504038483 /nfs/dbraw/zinc/03/84/83/504038483.db2.gz ZIHFEXRMMMCETH-UXHICEINSA-N 0 3 365.502 3.343 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000530676117 504050327 /nfs/dbraw/zinc/05/03/27/504050327.db2.gz YLSRGDFZRPGHQG-FXAWDEMLSA-N 0 3 353.491 3.362 20 30 FGEDHN CCN(CCC(=O)N(C)CCC#N)Cc1cccc(Br)c1 ZINC000537851731 504064707 /nfs/dbraw/zinc/06/47/07/504064707.db2.gz PTHJTWYWQREIQQ-UHFFFAOYSA-N 0 3 352.276 3.033 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000530730159 504067258 /nfs/dbraw/zinc/06/72/58/504067258.db2.gz XWAXXIYVMBYJOO-INIZCTEOSA-N 0 3 359.351 3.472 20 30 FGEDHN CCN(C(=O)Cc1ccc(C#N)nc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000528126286 504083683 /nfs/dbraw/zinc/08/36/83/504083683.db2.gz GNTGXJDGHLWMQM-DYESRHJHSA-N 0 3 362.477 3.180 20 30 FGEDHN CC(C#N)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000530818864 504096226 /nfs/dbraw/zinc/09/62/26/504096226.db2.gz NHULLZLDZRTISE-HZMBPMFUSA-N 0 3 354.237 3.473 20 30 FGEDHN N#Cc1cccc(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000530910193 504127097 /nfs/dbraw/zinc/12/70/97/504127097.db2.gz LPGHSRFRNFHVEF-UHFFFAOYSA-N 0 3 365.502 3.331 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(C#N)c1 ZINC000530913529 504128813 /nfs/dbraw/zinc/12/88/13/504128813.db2.gz WVXNOHASTPMDEX-OAQYLSRUSA-N 0 3 362.477 3.009 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)[C@H]2CCCOC2)c1C#N ZINC000544471377 504146577 /nfs/dbraw/zinc/14/65/77/504146577.db2.gz ZYMDQMUCMJYYLV-RDJZCZTQSA-N 0 3 372.513 3.435 20 30 FGEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000541492417 504148314 /nfs/dbraw/zinc/14/83/14/504148314.db2.gz NOGYAVJBASWWAT-IAGOWNOFSA-N 0 3 354.498 3.495 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000519294988 504186212 /nfs/dbraw/zinc/18/62/12/504186212.db2.gz ZNYZZDBEBYMHHN-UHFFFAOYSA-N 0 3 356.297 3.486 20 30 FGEDHN CN(C[C@H](O)COc1ccccc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000528505395 504251339 /nfs/dbraw/zinc/25/13/39/504251339.db2.gz CENAINBWBQUHDO-XHSDSOJGSA-N 0 3 356.388 3.351 20 30 FGEDHN COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)ccc1OCCO ZINC000538508641 504267417 /nfs/dbraw/zinc/26/74/17/504267417.db2.gz WGBUUNPCGLEMCQ-ZIAGYGMSSA-N 0 3 358.413 3.489 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CNC[C@@]2(O)CCSC2)c1 ZINC000531347324 504275309 /nfs/dbraw/zinc/27/53/09/504275309.db2.gz ZOAYPRQOKVHRRY-FQEVSTJZSA-N 0 3 354.475 3.095 20 30 FGEDHN COCCC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000528576427 504279868 /nfs/dbraw/zinc/27/98/68/504279868.db2.gz RPQIUAXFTHVXPE-UHFFFAOYSA-N 0 3 361.511 3.186 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000531442983 504308876 /nfs/dbraw/zinc/30/88/76/504308876.db2.gz VUBOOTNLGVBDRB-AABGKKOBSA-N 0 3 354.498 3.342 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1c[nH]c(C#N)c1 ZINC000538711047 504337223 /nfs/dbraw/zinc/33/72/23/504337223.db2.gz QJODODVEKRTNOV-LJQANCHMSA-N 0 3 350.466 3.089 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C2CCOCC2)C1)C(C)C ZINC000535110184 504345068 /nfs/dbraw/zinc/34/50/68/504345068.db2.gz IRLFAIUUWHKPQG-WOJBJXKFSA-N 0 3 363.546 3.143 20 30 FGEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000528753377 504364146 /nfs/dbraw/zinc/36/41/46/504364146.db2.gz BJAUAEZABCFUKJ-WLHTULFXSA-N 0 3 361.511 3.229 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000520214089 504436879 /nfs/dbraw/zinc/43/68/79/504436879.db2.gz MBIUCRHXXRFVJY-KRWDZBQOSA-N 0 3 365.437 3.303 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1Cl ZINC000528922057 504450898 /nfs/dbraw/zinc/45/08/98/504450898.db2.gz XBADDJJTACWXFU-UZSKJHCISA-N 0 3 364.829 3.055 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528939069 504460724 /nfs/dbraw/zinc/46/07/24/504460724.db2.gz KLVGYCQLHBDRNL-QGZVFWFLSA-N 0 3 356.470 3.484 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528995096 504487533 /nfs/dbraw/zinc/48/75/33/504487533.db2.gz IRJJWVUXWVJQLS-BFHYXJOUSA-N 0 3 360.385 3.155 20 30 FGEDHN N#CC(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccncn1 ZINC000545448240 504490831 /nfs/dbraw/zinc/49/08/31/504490831.db2.gz QHFRKUHWTOIBIS-NSHDSACASA-N 0 3 359.267 3.035 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548927711 504624179 /nfs/dbraw/zinc/62/41/79/504624179.db2.gz MRYBABHDLRIDJJ-UHFFFAOYSA-N 0 3 355.394 3.028 20 30 FGEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000521647845 504768760 /nfs/dbraw/zinc/76/87/60/504768760.db2.gz CKOOXTWEWPECFV-OAHLLOKOSA-N 0 3 365.408 3.456 20 30 FGEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C2CCCCC2)CC1 ZINC000549260197 504776428 /nfs/dbraw/zinc/77/64/28/504776428.db2.gz AJLGXSQVXATWRM-PKOBYXMFSA-N 0 3 373.545 3.406 20 30 FGEDHN C=CCOCCN[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000559247822 504807618 /nfs/dbraw/zinc/80/76/18/504807618.db2.gz JDUCWXFDRJVLNV-RXVVDRJESA-N 0 3 357.425 3.369 20 30 FGEDHN Cc1cc(CNC[C@H](c2cccs2)N2CCN(C)CC2)ccc1C#N ZINC000562467987 504830129 /nfs/dbraw/zinc/83/01/29/504830129.db2.gz YLKZCMYFLMUALU-LJQANCHMSA-N 0 3 354.523 3.007 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000556329663 504846067 /nfs/dbraw/zinc/84/60/67/504846067.db2.gz BFQNYPCYEFEIRF-CABCVRRESA-N 0 3 353.260 3.019 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000562735631 504927590 /nfs/dbraw/zinc/92/75/90/504927590.db2.gz DVFDAEFJIOFVHI-MOPGFXCFSA-N 0 3 368.481 3.059 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(F)cccc2SC)CC1 ZINC000553531123 504942281 /nfs/dbraw/zinc/94/22/81/504942281.db2.gz GDXAISDOVSOFJP-UHFFFAOYSA-N 0 3 351.491 3.387 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000562952482 504999175 /nfs/dbraw/zinc/99/91/75/504999175.db2.gz UNCIIVMVIHXRGG-FQEVSTJZSA-N 0 3 362.477 3.461 20 30 FGEDHN C=C(C)Cn1c(CC)nnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000562967014 505002571 /nfs/dbraw/zinc/00/25/71/505002571.db2.gz QVMRYMQQENCEPH-RBUKOAKNSA-N 0 3 351.498 3.127 20 30 FGEDHN COc1ccc([C@H](C)CCNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000562994208 505013302 /nfs/dbraw/zinc/01/33/02/505013302.db2.gz APIONCPPWJMSDC-MRXNPFEDSA-N 0 3 372.490 3.124 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000553815600 505018134 /nfs/dbraw/zinc/01/81/34/505018134.db2.gz YDMUNHXZMXVGJF-XJNFMUPTSA-N 0 3 350.528 3.300 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@H]1n1cccn1 ZINC000550326993 505022750 /nfs/dbraw/zinc/02/27/50/505022750.db2.gz QAZLMBQBHZRLLQ-BRWVUGGUSA-N 0 3 364.371 3.282 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)ccc1OC ZINC000550327029 505023383 /nfs/dbraw/zinc/02/33/83/505023383.db2.gz RAXOAULHMIHERV-QMMLZNLJSA-N 0 3 371.481 3.355 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000556976418 505035773 /nfs/dbraw/zinc/03/57/73/505035773.db2.gz GXDQJOOVYLIBTB-LIRRHRJNSA-N 0 3 353.853 3.462 20 30 FGEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000566118672 505087383 /nfs/dbraw/zinc/08/73/83/505087383.db2.gz YGWCKCOYZVUMLG-MAUKXSAKSA-N 0 3 372.538 3.284 20 30 FGEDHN C[C@H]1[C@H](NC(=O)N2CCC(CCC#N)CC2)CCN1Cc1ccccc1 ZINC000566153367 505099694 /nfs/dbraw/zinc/09/96/94/505099694.db2.gz NZNWITJSTNCNBB-FXAWDEMLSA-N 0 3 354.498 3.375 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3ccc(C#N)c(C)n3)C2)s1 ZINC000560484470 505099951 /nfs/dbraw/zinc/09/99/51/505099951.db2.gz ZKNKRUYRERJCQR-INIZCTEOSA-N 0 3 368.506 3.226 20 30 FGEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000557594035 505177368 /nfs/dbraw/zinc/17/73/68/505177368.db2.gz LBQVWIAJMIRGNH-IUSZMWJPSA-N 0 3 354.425 3.350 20 30 FGEDHN CN(C)C[C@H](NC(=O)NCCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000563634845 505197773 /nfs/dbraw/zinc/19/77/73/505197773.db2.gz HDOFDVPRVAYFIM-IBGZPJMESA-N 0 3 370.884 3.356 20 30 FGEDHN N#CCC[C@@H](C#N)CNC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000554552236 505205905 /nfs/dbraw/zinc/20/59/05/505205905.db2.gz MQSCYJIXPXYXRI-KRWDZBQOSA-N 0 3 363.465 3.339 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(N)c1 ZINC000566572205 505210385 /nfs/dbraw/zinc/21/03/85/505210385.db2.gz MNPILJUADTYOFM-UHFFFAOYSA-N 0 3 357.527 3.367 20 30 FGEDHN COc1ccc([C@H](NC[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000557724904 505214353 /nfs/dbraw/zinc/21/43/53/505214353.db2.gz AAWKEXNPBKWRIA-DENIHFKCSA-N 0 3 366.461 3.242 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000566591473 505214869 /nfs/dbraw/zinc/21/48/69/505214869.db2.gz ZOJDDVHFLFROGJ-BFQNTYOBSA-N 0 3 369.494 3.212 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000551488909 505236280 /nfs/dbraw/zinc/23/62/80/505236280.db2.gz RZLVDZVYZQVETR-FQEVSTJZSA-N 0 3 369.440 3.137 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2c1 ZINC000551546913 505249600 /nfs/dbraw/zinc/24/96/00/505249600.db2.gz AMQWLLZWGDJOBZ-OAQYLSRUSA-N 0 3 360.417 3.218 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@]12CCCO2 ZINC000554977725 505317987 /nfs/dbraw/zinc/31/79/87/505317987.db2.gz YWJVVSXJJLHEII-BRWVUGGUSA-N 0 3 354.372 3.393 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000551926010 505343956 /nfs/dbraw/zinc/34/39/56/505343956.db2.gz QIJVNSCATFWECM-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000567126687 505371564 /nfs/dbraw/zinc/37/15/64/505371564.db2.gz QYZNZHOCTLGWSF-LJQANCHMSA-N 0 3 366.513 3.249 20 30 FGEDHN C=C(C)COc1cc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)ccc1OC ZINC000552147342 505415480 /nfs/dbraw/zinc/41/54/80/505415480.db2.gz YJJWRHJDSIQAFF-NHCUHLMSSA-N 0 3 361.482 3.060 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000552226905 505434639 /nfs/dbraw/zinc/43/46/39/505434639.db2.gz SSOKUZYVQGJMLF-QRWLVFNGSA-N 0 3 356.853 3.423 20 30 FGEDHN COc1ccc2cc(CNC[C@@H](O)COc3ccc(C#N)cc3)ccc2c1 ZINC000555574338 505460825 /nfs/dbraw/zinc/46/08/25/505460825.db2.gz LMXLKCMMDSNZOX-HXUWFJFHSA-N 0 3 362.429 3.250 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCCc3ccccc32)c1 ZINC000558718130 505472522 /nfs/dbraw/zinc/47/25/22/505472522.db2.gz JIAOJKXGXCSRTN-SFHVURJKSA-N 0 3 354.475 3.042 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000567736273 505553189 /nfs/dbraw/zinc/55/31/89/505553189.db2.gz DKQHPMIDVBVJEP-YQQAZPJKSA-N 0 3 358.511 3.496 20 30 FGEDHN CCO[C@H](CN1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CC1 ZINC000599277736 506395885 /nfs/dbraw/zinc/39/58/85/506395885.db2.gz SSVPKBWTBFXDTN-HXUWFJFHSA-N 0 3 350.466 3.044 20 30 FGEDHN C[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593115901 506402060 /nfs/dbraw/zinc/40/20/60/506402060.db2.gz NEUKYKSPNUMQCW-KXBFYZLASA-N 0 3 354.425 3.099 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000608071545 506408168 /nfs/dbraw/zinc/40/81/68/506408168.db2.gz PBFHUMOXPMYBLC-HJNYFJLDSA-N 0 3 362.473 3.498 20 30 FGEDHN N#CC1(CCCN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CCOCC1 ZINC000603146358 506436122 /nfs/dbraw/zinc/43/61/22/506436122.db2.gz RBYBYKQRSXDBMM-IRXDYDNUSA-N 0 3 370.415 3.211 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612106066 506439422 /nfs/dbraw/zinc/43/94/22/506439422.db2.gz QQDIDDUCSTUVPD-NRFANRHFSA-N 0 3 354.498 3.295 20 30 FGEDHN N#CC1(NC(=O)CN(Cc2ccccc2)C2(CO)CCCC2)CCCCC1 ZINC000599433561 506455076 /nfs/dbraw/zinc/45/50/76/506455076.db2.gz HERUNSJFAUBFFS-UHFFFAOYSA-N 0 3 369.509 3.136 20 30 FGEDHN C=C(C)C[C@H](NC(C)=O)c1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1 ZINC000596582071 506471523 /nfs/dbraw/zinc/47/15/23/506471523.db2.gz INVUIBIHDPEEJM-LSDHHAIUSA-N 0 3 372.450 3.236 20 30 FGEDHN CCOC(=O)c1ccn(-c2cccc(CN[C@@H]3CCC[C@H](C#N)C3)c2)n1 ZINC000589206654 506485512 /nfs/dbraw/zinc/48/55/12/506485512.db2.gz DWTSASCGTAUOKZ-DOTOQJQBSA-N 0 3 352.438 3.221 20 30 FGEDHN COc1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)cc1C#N ZINC000596636090 506502704 /nfs/dbraw/zinc/50/27/04/506502704.db2.gz MYDFDGCOGKKHGF-UHFFFAOYSA-N 0 3 352.434 3.069 20 30 FGEDHN N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000593330130 506546393 /nfs/dbraw/zinc/54/63/93/506546393.db2.gz HPLKBPOHMFDUCN-IBGZPJMESA-N 0 3 374.488 3.496 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000612420976 506573557 /nfs/dbraw/zinc/57/35/57/506573557.db2.gz AHFLWKHFJKJRNL-LEWJYISDSA-N 0 3 360.461 3.111 20 30 FGEDHN Cc1cc(C)cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000596784059 506595963 /nfs/dbraw/zinc/59/59/63/506595963.db2.gz WLFDFXRRTALANZ-UHFFFAOYSA-N 0 3 364.493 3.449 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)o1 ZINC000603747599 506609572 /nfs/dbraw/zinc/60/95/72/506609572.db2.gz AUYZRMUPERVPEZ-UHFFFAOYSA-N 0 3 360.845 3.078 20 30 FGEDHN CCN(C(=O)CC1(C#N)CCOCC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000596886444 506656963 /nfs/dbraw/zinc/65/69/63/506656963.db2.gz IXJRTSMMBZZXNJ-UYAOXDASSA-N 0 3 369.509 3.381 20 30 FGEDHN CC1CCN([C@H](CNC(=O)CC2(C#N)CCOCC2)c2ccccc2)CC1 ZINC000596890949 506659968 /nfs/dbraw/zinc/65/99/68/506659968.db2.gz YWTHDNZKQNBURL-HXUWFJFHSA-N 0 3 369.509 3.286 20 30 FGEDHN CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000596892272 506660169 /nfs/dbraw/zinc/66/01/69/506660169.db2.gz CTNOMGBMTUJBMY-ZDUSSCGKSA-N 0 3 356.348 3.015 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000596970444 506705174 /nfs/dbraw/zinc/70/51/74/506705174.db2.gz JUWFQWIHUXUJEW-MRXNPFEDSA-N 0 3 369.415 3.478 20 30 FGEDHN CSc1cc(C)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)o1 ZINC000596975544 506707147 /nfs/dbraw/zinc/70/71/47/506707147.db2.gz VNLZZIOBPKKQJP-UHFFFAOYSA-N 0 3 357.479 3.386 20 30 FGEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000593652642 506715908 /nfs/dbraw/zinc/71/59/08/506715908.db2.gz IUUSREPVVMAPLP-KSZLIROESA-N 0 3 374.492 3.084 20 30 FGEDHN CCCN(C)[C@@H](CNC(=O)Cc1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000599928345 506716918 /nfs/dbraw/zinc/71/69/18/506716918.db2.gz MTQDVEZHZGYBPO-IBGZPJMESA-N 0 3 370.884 3.348 20 30 FGEDHN CO[C@H](CNC[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000583376375 506746358 /nfs/dbraw/zinc/74/63/58/506746358.db2.gz LDOHANPXPQQJEJ-AZUAARDMSA-N 0 3 374.868 3.123 20 30 FGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1(C#N)CC1 ZINC000590188278 506759379 /nfs/dbraw/zinc/75/93/79/506759379.db2.gz LPJPSFMOVXRHCU-UHFFFAOYSA-N 0 3 353.388 3.289 20 30 FGEDHN CCN(CC(=O)Nc1sccc1C#N)Cc1ccc(CN(C)C)cc1 ZINC000609029858 506764660 /nfs/dbraw/zinc/76/46/60/506764660.db2.gz UHDRAAFSIDJZND-UHFFFAOYSA-N 0 3 356.495 3.142 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000609157695 506797767 /nfs/dbraw/zinc/79/77/67/506797767.db2.gz PSGGGQRRUCWVQX-DHIUTWEWSA-N 0 3 361.489 3.256 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609239972 506823352 /nfs/dbraw/zinc/82/33/52/506823352.db2.gz GMGHDOBLOMJSHH-BEFAXECRSA-N 0 3 366.440 3.332 20 30 FGEDHN CN1CCC[C@]2(CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)C1 ZINC000590506171 506842870 /nfs/dbraw/zinc/84/28/70/506842870.db2.gz MQZASUSZTDMMCN-KRWDZBQOSA-N 0 3 352.265 3.423 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000593965897 506855689 /nfs/dbraw/zinc/85/56/89/506855689.db2.gz YIHJJKIBPGEIKL-INIZCTEOSA-N 0 3 351.450 3.316 20 30 FGEDHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNC1CCN(CC#N)CC1 ZINC000609334799 506856515 /nfs/dbraw/zinc/85/65/15/506856515.db2.gz IBRLPSBKJGDOCW-UHFFFAOYSA-N 0 3 371.916 3.279 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032130 506896456 /nfs/dbraw/zinc/89/64/56/506896456.db2.gz DVWKZONMFMTQOL-FQEVSTJZSA-N 0 3 361.445 3.033 20 30 FGEDHN COc1cc(CN2CC[C@@H](O)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000590762230 506942772 /nfs/dbraw/zinc/94/27/72/506942772.db2.gz FJEPIPSKDRJONL-DNVCBOLYSA-N 0 3 352.434 3.101 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000609638246 506957114 /nfs/dbraw/zinc/95/71/14/506957114.db2.gz ABEONJSXTVTQPR-SFHVURJKSA-N 0 3 364.449 3.353 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000600472128 506962236 /nfs/dbraw/zinc/96/22/36/506962236.db2.gz MXBCXTUIPOLCNJ-LJQANCHMSA-N 0 3 355.482 3.240 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000613206118 506967413 /nfs/dbraw/zinc/96/74/13/506967413.db2.gz OTEXHJQACUUHIK-YLJYHZDGSA-N 0 3 372.472 3.415 20 30 FGEDHN C[C@](CO)(NCCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000609799678 507006507 /nfs/dbraw/zinc/00/65/07/507006507.db2.gz BUENLCSEFCBXDZ-GOSISDBHSA-N 0 3 364.367 3.453 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2cc(C#N)c3ccccc3n2)cc1 ZINC000609892889 507039844 /nfs/dbraw/zinc/03/98/44/507039844.db2.gz GCTYHKWSCMNRPD-UHFFFAOYSA-N 0 3 360.461 3.123 20 30 FGEDHN Cc1ccccc1CN1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000590950754 507056461 /nfs/dbraw/zinc/05/64/61/507056461.db2.gz ISUQSYNJQMOYIN-UHFFFAOYSA-N 0 3 364.449 3.483 20 30 FGEDHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000613389230 507065830 /nfs/dbraw/zinc/06/58/30/507065830.db2.gz FNBRJZONVBEWRY-BBTUJRGHSA-N 0 3 365.477 3.076 20 30 FGEDHN COc1cccc(Oc2ccc(CNC[C@@H](O)CC3(C#N)CC3)cn2)c1 ZINC000600715741 507077950 /nfs/dbraw/zinc/07/79/50/507077950.db2.gz IAQKOWFJOJLUHK-INIZCTEOSA-N 0 3 353.422 3.027 20 30 FGEDHN CC(C)(C)Oc1ccc(CNC[C@H](O)COc2ccccc2C#N)cc1 ZINC000600719353 507079931 /nfs/dbraw/zinc/07/99/31/507079931.db2.gz DIKAUNHBEBOETQ-SFHVURJKSA-N 0 3 354.450 3.265 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000594361036 507092326 /nfs/dbraw/zinc/09/23/26/507092326.db2.gz MWZWTSMMXQSYBZ-FOIQADDNSA-N 0 3 353.441 3.295 20 30 FGEDHN Cc1cc(C(F)(F)F)ccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600736474 507092380 /nfs/dbraw/zinc/09/23/80/507092380.db2.gz ZKIXJIKXHLNLCH-INIZCTEOSA-N 0 3 356.388 3.175 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C3CCC3)C2)cc1 ZINC000591062196 507095512 /nfs/dbraw/zinc/09/55/12/507095512.db2.gz XCZLBERNLTWTQG-SFHVURJKSA-N 0 3 355.482 3.454 20 30 FGEDHN COc1ccc(CN(C)CCOc2ccc(C#N)cc2OC)cc1OC ZINC000610132351 507110506 /nfs/dbraw/zinc/11/05/06/507110506.db2.gz YFRFFFSCTHWPTA-UHFFFAOYSA-N 0 3 356.422 3.095 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610132771 507110573 /nfs/dbraw/zinc/11/05/73/507110573.db2.gz CHZDPXVVNJDMQO-RTBURBONSA-N 0 3 363.461 3.014 20 30 FGEDHN COc1cccc2c1OCC[C@@H]2NC(=O)C(C#N)CCc1ccccc1 ZINC000594419187 507124970 /nfs/dbraw/zinc/12/49/70/507124970.db2.gz ORJFCQVWKNMDFE-AEFFLSMTSA-N 0 3 350.418 3.408 20 30 FGEDHN CN(C(=O)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1)c1ccccc1 ZINC000594429412 507127265 /nfs/dbraw/zinc/12/72/65/507127265.db2.gz TVZZIYVKCKTQAJ-LJQANCHMSA-N 0 3 364.449 3.313 20 30 FGEDHN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)[C@H](N)CCCCC#N ZINC000594432232 507130826 /nfs/dbraw/zinc/13/08/26/507130826.db2.gz ZXRQSNHXCYAEJG-TZMCWYRMSA-N 0 3 357.376 3.000 20 30 FGEDHN Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594432440 507131897 /nfs/dbraw/zinc/13/18/97/507131897.db2.gz AHISRTBERCDPCV-MRXNPFEDSA-N 0 3 355.404 3.340 20 30 FGEDHN Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594438633 507133639 /nfs/dbraw/zinc/13/36/39/507133639.db2.gz PDAOSSFHFNLJON-FQEVSTJZSA-N 0 3 350.466 3.330 20 30 FGEDHN CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](N)CCCCC#N ZINC000594437389 507133825 /nfs/dbraw/zinc/13/38/25/507133825.db2.gz LRRKWXOHUHQEMY-HNNXBMFYSA-N 0 3 370.266 3.348 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000594446374 507137021 /nfs/dbraw/zinc/13/70/21/507137021.db2.gz RWHZSLKDBCMQCX-LSDHHAIUSA-N 0 3 356.495 3.414 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c2ccccc2O1 ZINC000591204737 507154106 /nfs/dbraw/zinc/15/41/06/507154106.db2.gz YWQDHFMTIXOWQT-GBESFXJTSA-N 0 3 361.445 3.018 20 30 FGEDHN CNS(=O)(=O)c1ccc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594516543 507166921 /nfs/dbraw/zinc/16/69/21/507166921.db2.gz SAUOBTLKWGSJAP-OAHLLOKOSA-N 0 3 369.490 3.196 20 30 FGEDHN C[C@H](N[C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551842 507181333 /nfs/dbraw/zinc/18/13/33/507181333.db2.gz SFFSOKQUMUQUHO-KKXDTOCCSA-N 0 3 360.889 3.145 20 30 FGEDHN N#Cc1ccc(N2CCN(C(=O)Nc3cccc(CN)c3)CC2)c(Cl)c1 ZINC000591310191 507195900 /nfs/dbraw/zinc/19/59/00/507195900.db2.gz COUGAXPNSHZZAQ-UHFFFAOYSA-N 0 3 369.856 3.024 20 30 FGEDHN CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCN(CC)C1 ZINC000598040136 507229617 /nfs/dbraw/zinc/22/96/17/507229617.db2.gz CZEDPHTWDZUBKQ-KRWDZBQOSA-N 0 3 367.449 3.287 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601039327 507238472 /nfs/dbraw/zinc/23/84/72/507238472.db2.gz CFCXIDLJBNYWEM-UHFFFAOYSA-N 0 3 357.454 3.173 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000598063699 507239864 /nfs/dbraw/zinc/23/98/64/507239864.db2.gz FUFZZXFZFMUWEY-UHFFFAOYSA-N 0 3 368.868 3.249 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000610582678 507303318 /nfs/dbraw/zinc/30/33/18/507303318.db2.gz KYQGDBGRFYPLSL-FQEVSTJZSA-N 0 3 359.433 3.114 20 30 FGEDHN COc1cc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)ccc1OCCO ZINC000594920639 507314999 /nfs/dbraw/zinc/31/49/99/507314999.db2.gz BAFWPKPNYZXMEW-INIZCTEOSA-N 0 3 366.461 3.472 20 30 FGEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)ccc1-n1cncn1 ZINC000594984714 507341820 /nfs/dbraw/zinc/34/18/20/507341820.db2.gz RWGZVJTUAFZDHE-UHFFFAOYSA-N 0 3 373.460 3.243 20 30 FGEDHN CCN(CC)Cc1cccc(NC(=O)C(=O)NCC2(C#N)CCCCC2)c1 ZINC000595188779 507420354 /nfs/dbraw/zinc/42/03/54/507420354.db2.gz WHQHMITZKRYEMY-UHFFFAOYSA-N 0 3 370.497 3.057 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3cnc4ccccc4n3)CC2)cc1 ZINC000595287251 507448708 /nfs/dbraw/zinc/44/87/08/507448708.db2.gz ATTLJOXNXNNTTN-UHFFFAOYSA-N 0 3 357.461 3.209 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)NCc2ccc(CC#N)cc2)c1 ZINC000592039978 507463066 /nfs/dbraw/zinc/46/30/66/507463066.db2.gz NMEIPJJTFZIXPY-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN C[C@@]1(NC[C@@H](O)COc2ccc(CC#N)cc2)CCCc2ccccc21 ZINC000610988118 507468556 /nfs/dbraw/zinc/46/85/56/507468556.db2.gz YWTPDNLPSPOORL-DENIHFKCSA-N 0 3 350.462 3.334 20 30 FGEDHN CC(C)N1CCN(C2CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595404078 507481971 /nfs/dbraw/zinc/48/19/71/507481971.db2.gz RXLLWLXARWRFIB-HXUWFJFHSA-N 0 3 360.933 3.395 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@@](C)(C#N)C2)c2cccs2)CC1 ZINC000595426518 507491406 /nfs/dbraw/zinc/49/14/06/507491406.db2.gz YEACSQMTUAQZSV-APWZRJJASA-N 0 3 360.527 3.466 20 30 FGEDHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598618143 507519773 /nfs/dbraw/zinc/51/97/73/507519773.db2.gz VCBKARIGSUWKFP-YPMHNXCESA-N 0 3 355.276 3.409 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592183031 507527963 /nfs/dbraw/zinc/52/79/63/507527963.db2.gz HTXYVFLTROMIRU-KBPBESRZSA-N 0 3 361.873 3.430 20 30 FGEDHN COc1cccc(SCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000595501481 507531853 /nfs/dbraw/zinc/53/18/53/507531853.db2.gz KYENLCRXGIAOFJ-QGZVFWFLSA-N 0 3 355.463 3.207 20 30 FGEDHN CC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000611153143 507536756 /nfs/dbraw/zinc/53/67/56/507536756.db2.gz MDOTVNRLVDOJEI-IBGZPJMESA-N 0 3 350.462 3.286 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)Cc3ccc(C#N)cc3)C2)s1 ZINC000584843533 507537070 /nfs/dbraw/zinc/53/70/70/507537070.db2.gz MCGHIRCKUNYRNE-IBGZPJMESA-N 0 3 367.518 3.451 20 30 FGEDHN CCCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCN(C)C1 ZINC000592226357 507545285 /nfs/dbraw/zinc/54/52/85/507545285.db2.gz KPFOYQKKNFUOJA-ZDUSSCGKSA-N 0 3 352.385 3.108 20 30 FGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000598678558 507549752 /nfs/dbraw/zinc/54/97/52/507549752.db2.gz YVNHQGGXTVMFCA-XLIONFOSSA-N 0 3 363.461 3.390 20 30 FGEDHN CN(Cc1ccccc1)C[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245241 507577749 /nfs/dbraw/zinc/57/77/49/507577749.db2.gz FTTPPRSMZMQMSS-QHCPKHFHSA-N 0 3 361.489 3.140 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2COC(C)C)CC1 ZINC000592294290 507598902 /nfs/dbraw/zinc/59/89/02/507598902.db2.gz YPCHDMAGLPRFSM-UHFFFAOYSA-N 0 3 359.514 3.451 20 30 FGEDHN C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000585726539 507606477 /nfs/dbraw/zinc/60/64/77/507606477.db2.gz KFYVWCSVISKNGX-PXAZEXFGSA-N 0 3 372.266 3.148 20 30 FGEDHN CC(C)(N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(C#N)c1 ZINC000595639140 507608688 /nfs/dbraw/zinc/60/86/88/507608688.db2.gz HVQRIYQSXYTMBZ-FQEVSTJZSA-N 0 3 358.445 3.450 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(NC(C)=O)c2C)CC1 ZINC000592336041 507610684 /nfs/dbraw/zinc/61/06/84/507610684.db2.gz NAZZIEQVJIZRBX-UHFFFAOYSA-N 0 3 358.486 3.424 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccccc1Br ZINC000611302578 507613429 /nfs/dbraw/zinc/61/34/29/507613429.db2.gz JXOAKKNREKVSNL-INIZCTEOSA-N 0 3 364.287 3.348 20 30 FGEDHN CS(=O)(=O)c1cc(CN[C@@H]2CCC[C@@H](C#N)C2)cc(C(F)(F)F)c1 ZINC000585765096 507619990 /nfs/dbraw/zinc/61/99/90/507619990.db2.gz GAXGCNWWLYLBDP-BXUZGUMPSA-N 0 3 360.401 3.281 20 30 FGEDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000611386831 507655592 /nfs/dbraw/zinc/65/55/92/507655592.db2.gz ARCULDUVZKZBRF-ZDUSSCGKSA-N 0 3 368.393 3.154 20 30 FGEDHN C[C@@H]1CN(c2ccc(CN[C@H]3CCCc4cc(C#N)ccc43)cn2)CCO1 ZINC000611390518 507659500 /nfs/dbraw/zinc/65/95/00/507659500.db2.gz FRPTZVBTWHCTLB-IERDGZPVSA-N 0 3 362.477 3.346 20 30 FGEDHN COc1ccccc1N1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611394614 507660647 /nfs/dbraw/zinc/66/06/47/507660647.db2.gz SWZPTALKPXUCLB-OALUTQOASA-N 0 3 361.445 3.339 20 30 FGEDHN Cc1ncc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000602401503 507696403 /nfs/dbraw/zinc/69/64/03/507696403.db2.gz KZUDISKKHVAHOA-AWEZNQCLSA-N 0 3 371.510 3.158 20 30 FGEDHN COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)n1 ZINC000611476125 507699369 /nfs/dbraw/zinc/69/93/69/507699369.db2.gz IHBDYXCUULLNMY-UHFFFAOYSA-N 0 3 352.438 3.047 20 30 FGEDHN N#CCN1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611519290 507719665 /nfs/dbraw/zinc/71/96/65/507719665.db2.gz NNBCUYHUTXREJQ-HXUWFJFHSA-N 0 3 350.422 3.262 20 30 FGEDHN CN(C)CCc1ccccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000615056183 507735495 /nfs/dbraw/zinc/73/54/95/507735495.db2.gz MMBHGBMJOBLUBV-NRFANRHFSA-N 0 3 362.477 3.270 20 30 FGEDHN Cc1cc(C#N)cnc1C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592695343 507767009 /nfs/dbraw/zinc/76/70/09/507767009.db2.gz ZUPCRXKUQDQFIL-FQEVSTJZSA-N 0 3 362.477 3.387 20 30 FGEDHN CC(C)(CCC#N)C[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824152769 608602027 /nfs/dbraw/zinc/60/20/27/608602027.db2.gz MJKXVHOOUSOILC-UHFFFAOYSA-N 0 3 354.458 3.040 20 30 FGEDHN CC(C)(CCC#N)C[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824152769 608602029 /nfs/dbraw/zinc/60/20/29/608602029.db2.gz MJKXVHOOUSOILC-UHFFFAOYSA-N 0 3 354.458 3.040 20 30 FGEDHN C=CCC[C@H](CCC)[NH2+][C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823894547 609168327 /nfs/dbraw/zinc/16/83/27/609168327.db2.gz SSFMASMZNQSFRL-WMZOPIPTSA-N 0 3 368.485 3.087 20 30 FGEDHN C[C@H](Oc1cccc(Cl)c1)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000041510129 695762840 /nfs/dbraw/zinc/76/28/40/695762840.db2.gz PQHZOHHNEUFNLS-SWLSCSKDSA-N 0 3 358.829 3.302 20 30 FGEDHN CCOCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000105758184 700504435 /nfs/dbraw/zinc/50/44/35/700504435.db2.gz NTFVNVKYVAGGPK-IINYFYTJSA-N 0 3 373.236 3.082 20 30 FGEDHN N#CC(C(=O)CCc1cc(Br)cs1)C(=O)NC1CCCC1 ZINC000107409777 700516457 /nfs/dbraw/zinc/51/64/57/700516457.db2.gz AQXJWKNIAFCNHT-CYBMUJFWSA-N 0 3 369.284 3.211 20 30 FGEDHN N#CC(C(=O)CC[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000111945289 700551836 /nfs/dbraw/zinc/55/18/36/700551836.db2.gz SEZGLDVONWDOJL-CHWSQXEVSA-N 0 3 352.793 3.476 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000113651918 700573638 /nfs/dbraw/zinc/57/36/38/700573638.db2.gz SEKPORVLZBTQIO-AAEUAGOBSA-N 0 3 354.809 3.262 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000120084274 700647628 /nfs/dbraw/zinc/64/76/28/700647628.db2.gz FKJHACLGTGPPLG-VIFPVBQESA-N 0 3 361.250 3.251 20 30 FGEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000120246279 700651273 /nfs/dbraw/zinc/65/12/73/700651273.db2.gz HJFVLTSGCOHNFK-QMTHXVAHSA-N 0 3 368.405 3.464 20 30 FGEDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126715274 700752052 /nfs/dbraw/zinc/75/20/52/700752052.db2.gz DSSVZLIJWKVVQG-CXAGYDPISA-N 0 3 356.809 3.133 20 30 FGEDHN Cc1noc(C)c1CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130155854 700796882 /nfs/dbraw/zinc/79/68/82/700796882.db2.gz ILTHYVOSGOHRMH-CYBMUJFWSA-N 0 3 363.776 3.364 20 30 FGEDHN CC(C)(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 ZINC000130253149 700798641 /nfs/dbraw/zinc/79/86/41/700798641.db2.gz YYHWUHWYPDRRQB-JTQLQIEISA-N 0 3 362.792 3.461 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](OC)c2ccccc2Cl)CC1 ZINC000132528675 700828452 /nfs/dbraw/zinc/82/84/52/700828452.db2.gz ODMIGZLXIPFNEC-GOSISDBHSA-N 0 3 365.905 3.367 20 30 FGEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000138693696 704875367 /nfs/dbraw/zinc/87/53/67/704875367.db2.gz FFLDLILHBKRNKX-HNNXBMFYSA-N 0 3 356.809 3.247 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000158181295 705175751 /nfs/dbraw/zinc/17/57/51/705175751.db2.gz KNNVPTDWTBAFNX-UHFFFAOYSA-N 0 3 355.663 3.386 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000170772827 705361074 /nfs/dbraw/zinc/36/10/74/705361074.db2.gz BOILXHPDXMTSOR-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172086481 705407552 /nfs/dbraw/zinc/40/75/52/705407552.db2.gz NJGDTBJIJHHCQY-BIAAXOCRSA-N 0 3 353.205 3.208 20 30 FGEDHN C#CCSCCNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000172674640 705426206 /nfs/dbraw/zinc/42/62/06/705426206.db2.gz AQYYOFCKUJRUCP-UHFFFAOYSA-N 0 3 350.285 3.091 20 30 FGEDHN C=C(Br)CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192881487 712876617 /nfs/dbraw/zinc/87/66/17/712876617.db2.gz GGOZARADPWSGRM-UHFFFAOYSA-N 0 3 353.260 3.286 20 30 FGEDHN CCCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2OC)s1 ZINC000193471415 712892549 /nfs/dbraw/zinc/89/25/49/712892549.db2.gz VDXWBZHKNSBQFN-GFCCVEGCSA-N 0 3 357.435 3.374 20 30 FGEDHN N#Cc1ccc(C2=CCN(C[C@H](O)COCc3cccs3)CC2)cc1 ZINC000374300193 713911875 /nfs/dbraw/zinc/91/18/75/713911875.db2.gz DQAUNLCRKOXDRW-IBGZPJMESA-N 0 3 354.475 3.287 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000522833343 714207610 /nfs/dbraw/zinc/20/76/10/714207610.db2.gz XVFGJDRNKJKPRI-MRXNPFEDSA-N 0 3 353.388 3.179 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C1CCN(C)CC1 ZINC000523484368 714236364 /nfs/dbraw/zinc/23/63/64/714236364.db2.gz AWNFULUQDKABGX-UHFFFAOYSA-N 0 3 356.388 3.436 20 30 FGEDHN CC(C)(C)CCN1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619825888 714873548 /nfs/dbraw/zinc/87/35/48/714873548.db2.gz DABOOQSJHZFJAB-UHFFFAOYSA-N 0 3 362.905 3.475 20 30 FGEDHN N#Cc1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1Cl ZINC000619828333 714874105 /nfs/dbraw/zinc/87/41/05/714874105.db2.gz QBMNPJZQQCQROW-UHFFFAOYSA-N 0 3 360.889 3.372 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)CC1 ZINC000623635114 715376013 /nfs/dbraw/zinc/37/60/13/715376013.db2.gz VISQTPSFRGWOAB-UAPYVXQJSA-N 0 3 351.535 3.310 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCc1cnoc1 ZINC000629107696 716216160 /nfs/dbraw/zinc/21/61/60/716216160.db2.gz LENKSQJEJQXKDD-UHFFFAOYSA-N 0 3 361.515 3.205 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Br)cc1Cl ZINC000650078390 718615404 /nfs/dbraw/zinc/61/54/04/718615404.db2.gz CPMUZEKKLPCXAT-KGLIPLIRSA-N 0 3 373.678 3.364 20 30 FGEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001164638057 719204217 /nfs/dbraw/zinc/20/42/17/719204217.db2.gz MYNLADMPOFZHKA-NWDGAFQWSA-N 0 3 359.836 3.337 20 30 FGEDHN C=CCC1(NCc2ccc(OC)c(O)c2Br)CCOCC1 ZINC000657633307 719685534 /nfs/dbraw/zinc/68/55/34/719685534.db2.gz LOZYJSZJHKRNMZ-UHFFFAOYSA-N 0 3 356.260 3.378 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(F)(F)F)c(OC)c2)CC1 ZINC000668369693 721282517 /nfs/dbraw/zinc/28/25/17/721282517.db2.gz BJFOLVDFTRDCKW-UHFFFAOYSA-N 0 3 356.388 3.484 20 30 FGEDHN N#Cc1cc(Cl)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909846 721548002 /nfs/dbraw/zinc/54/80/02/721548002.db2.gz SBYPCNODNAQPJW-WMZOPIPTSA-N 0 3 372.831 3.088 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000783773433 724788719 /nfs/dbraw/zinc/78/87/19/724788719.db2.gz KVCUNGQTQMOYAM-HXUWFJFHSA-N 0 3 356.539 3.151 20 30 FGEDHN C=CCOCCNCc1cn(-c2ccc(Br)cc2)nc1C ZINC000679487138 722030222 /nfs/dbraw/zinc/03/02/22/722030222.db2.gz XWBISTCWOUAOLV-UHFFFAOYSA-N 0 3 350.260 3.235 20 30 FGEDHN C[C@H](NC(=O)c1cccs1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416383 722468210 /nfs/dbraw/zinc/46/82/10/722468210.db2.gz CPJVAJSTWPOMBP-ONGXEEELSA-N 0 3 373.434 3.492 20 30 FGEDHN CCOC[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000733796645 722500921 /nfs/dbraw/zinc/50/09/21/722500921.db2.gz JNMJFAUHUVBHBG-GJZGRUSLSA-N 0 3 357.479 3.221 20 30 FGEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000740886525 722539174 /nfs/dbraw/zinc/53/91/74/722539174.db2.gz SNSYHQJHCFMPBZ-HNNXBMFYSA-N 0 3 357.479 3.362 20 30 FGEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccoc1 ZINC000755880142 722957866 /nfs/dbraw/zinc/95/78/66/722957866.db2.gz LPSDXRRJHXHQBM-UHFFFAOYSA-N 0 3 356.495 3.132 20 30 FGEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000762028262 723208546 /nfs/dbraw/zinc/20/85/46/723208546.db2.gz LKCJDXGRWVIKDV-JOYOIKCWSA-N 0 3 363.826 3.384 20 30 FGEDHN CCn1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)c1C ZINC000796742486 723652743 /nfs/dbraw/zinc/65/27/43/723652743.db2.gz BBGXQAAQBKZGOI-AWEZNQCLSA-N 0 3 358.829 3.063 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(F)(F)F)cc1OC ZINC000771261854 723731386 /nfs/dbraw/zinc/73/13/86/723731386.db2.gz RYRJSNMVBRGZPT-LLVKDONJSA-N 0 3 358.316 3.084 20 30 FGEDHN C[C@@H](NC(=O)c1ccccc1)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797568512 723835754 /nfs/dbraw/zinc/83/57/54/723835754.db2.gz SIVMQNRADFVEQW-TZMCWYRMSA-N 0 3 355.463 3.435 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CCCOCC1 ZINC000786311671 724972522 /nfs/dbraw/zinc/97/25/22/724972522.db2.gz LQEKIFPCKHYDCD-STQMWFEESA-N 0 3 364.829 3.121 20 30 FGEDHN CC(=O)[C@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786541973 724988027 /nfs/dbraw/zinc/98/80/27/724988027.db2.gz XTKCYWVYHSAVBK-DYVFJYSZSA-N 0 3 362.857 3.451 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810529603 725312704 /nfs/dbraw/zinc/31/27/04/725312704.db2.gz KJYXBOQEJPTXPT-NWDGAFQWSA-N 0 3 366.870 3.448 20 30 FGEDHN N#Cc1cccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000810532863 725313052 /nfs/dbraw/zinc/31/30/52/725313052.db2.gz HPYOCEDMPBNFJH-CYBMUJFWSA-N 0 3 359.172 3.221 20 30 FGEDHN CC(C)N1C(=O)C[C@H](NCCOCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000815102457 727038496 /nfs/dbraw/zinc/03/84/96/727038496.db2.gz PBXYWPXTJFZUSQ-FUHWJXTLSA-N 0 3 367.852 3.049 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000818584749 727315117 /nfs/dbraw/zinc/31/51/17/727315117.db2.gz XABILAPEQMMEMT-UHFFFAOYSA-N 0 3 353.447 3.241 20 30 FGEDHN C#CCN(C)CCCNC(=O)CCCCc1ccc(Br)cc1 ZINC000818595973 727315794 /nfs/dbraw/zinc/31/57/94/727315794.db2.gz XLSNLVQMMMEEGX-UHFFFAOYSA-N 0 3 365.315 3.233 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000876999623 736173277 /nfs/dbraw/zinc/17/32/77/736173277.db2.gz FOGGJLSQGINWNB-MADCSZMMSA-N 0 3 367.621 3.374 20 30 FGEDHN O=C(C#Cc1cccs1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000825516983 729386454 /nfs/dbraw/zinc/38/64/54/729386454.db2.gz IELCZSRZJBMDQZ-UHFFFAOYSA-N 0 3 356.516 3.330 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2n(n1)CCC2 ZINC000835064262 729854749 /nfs/dbraw/zinc/85/47/49/729854749.db2.gz FRFLGBDUYLYQJG-ZDUSSCGKSA-N 0 3 363.204 3.097 20 30 FGEDHN N#CCOc1cc(F)ccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844426133 730716156 /nfs/dbraw/zinc/71/61/56/730716156.db2.gz HGQMFDUWYQUWDL-VXGBXAGGSA-N 0 3 360.307 3.414 20 30 FGEDHN CN(Cc1cn(C)nc1-c1cccs1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006013 730917785 /nfs/dbraw/zinc/91/77/85/730917785.db2.gz FPZQYLJWNNHRHU-QGZVFWFLSA-N 0 3 352.463 3.186 20 30 FGEDHN CO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)c1ccccc1Br ZINC000847622138 731071384 /nfs/dbraw/zinc/07/13/84/731071384.db2.gz BRKKKHVEWHPKMR-SUMWQHHRSA-N 0 3 374.238 3.420 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000848413852 731161906 /nfs/dbraw/zinc/16/19/06/731161906.db2.gz UGBURBBCFNWZDN-OAHLLOKOSA-N 0 3 366.918 3.243 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848572572 731184166 /nfs/dbraw/zinc/18/41/66/731184166.db2.gz ZSKZHQRRNKOIEK-GUYCJALGSA-N 0 3 350.846 3.452 20 30 FGEDHN CO[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000850756621 731385293 /nfs/dbraw/zinc/38/52/93/731385293.db2.gz SHFJMHNTCNOZGE-MPKXVKKWSA-N 0 3 368.405 3.464 20 30 FGEDHN COCCCOCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000850761230 731385751 /nfs/dbraw/zinc/38/57/51/731385751.db2.gz JBQDTQSLWUZNAA-AWEZNQCLSA-N 0 3 373.236 3.084 20 30 FGEDHN CC(C)[C@H](NC=O)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000860507629 732525713 /nfs/dbraw/zinc/52/57/13/732525713.db2.gz ZJBXDUYSAPNASD-BONVTDFDSA-N 0 3 363.389 3.035 20 30 FGEDHN C=CCN1CC(=O)N([C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000863530844 732974550 /nfs/dbraw/zinc/97/45/50/732974550.db2.gz JDXHFZFFFGAQJK-AWEZNQCLSA-N 0 3 356.253 3.046 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnn(CC2CC2)c1 ZINC000870142809 733815556 /nfs/dbraw/zinc/81/55/56/733815556.db2.gz NSXOMYQIXDEPAG-ZDUSSCGKSA-N 0 3 360.776 3.047 20 30 FGEDHN C=CC(C)(C)CCCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000873151241 735726635 /nfs/dbraw/zinc/72/66/35/735726635.db2.gz FMIBWUNEARMKGK-AWEZNQCLSA-N 0 3 373.950 3.287 20 30 FGEDHN N#CC(C(=O)Cc1csc(C2CC2)n1)C(=O)NCc1cccc(Cl)c1 ZINC000873522650 735772762 /nfs/dbraw/zinc/77/27/62/735772762.db2.gz FRLVYDCNXLKAGS-HNNXBMFYSA-N 0 3 373.865 3.242 20 30 FGEDHN N#CC(C(=O)Cc1csc(C2CC2)n1)C(=O)NCc1cccc(Cl)c1 ZINC000873522651 735772879 /nfs/dbraw/zinc/77/28/79/735772879.db2.gz FRLVYDCNXLKAGS-OAHLLOKOSA-N 0 3 373.865 3.242 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000876890086 736158014 /nfs/dbraw/zinc/15/80/14/736158014.db2.gz WNQNICAPRZKMCZ-SKDRFNHKSA-N 0 3 361.667 3.105 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000876905549 736161507 /nfs/dbraw/zinc/16/15/07/736161507.db2.gz ISUDAWRAPUQBCB-KOLCDFICSA-N 0 3 372.721 3.478 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000876932140 736164747 /nfs/dbraw/zinc/16/47/47/736164747.db2.gz FAJFWOYNLBAADY-ZDUSSCGKSA-N 0 3 353.919 3.198 20 30 FGEDHN CC(C)(C)OC(=O)N1CCC(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000876994849 736172576 /nfs/dbraw/zinc/17/25/76/736172576.db2.gz QRNURBLFQURWIC-UHFFFAOYSA-N 0 3 364.877 3.343 20 30 FGEDHN COc1c(Cl)cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1Cl ZINC000884116784 737635020 /nfs/dbraw/zinc/63/50/20/737635020.db2.gz FYXJKACUHHAUQP-IAZHFHGHSA-N 0 3 354.237 3.080 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3c(Cl)c(Cl)ccc3C1)C2 ZINC000884120105 737635472 /nfs/dbraw/zinc/63/54/72/737635472.db2.gz DQTKSISUFYOVCT-XYEKJYRLSA-N 0 3 364.276 3.017 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1CCc3c1ccc(Cl)c3Cl)C2 ZINC000884139563 737636973 /nfs/dbraw/zinc/63/69/73/737636973.db2.gz VZQSGCQHNWOTAZ-BGVJHAMYSA-N 0 3 364.276 3.236 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)C2 ZINC000884151488 737638052 /nfs/dbraw/zinc/63/80/52/737638052.db2.gz NVTLUVPSMKLEGU-QRFPHZIJSA-N 0 3 371.790 3.199 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(CCC(F)(F)F)cc1)C2 ZINC000884159728 737639059 /nfs/dbraw/zinc/63/90/59/737639059.db2.gz LYQQIQORRIUYDE-UUCFBXCCSA-N 0 3 351.372 3.259 20 30 FGEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884158106 737639107 /nfs/dbraw/zinc/63/91/07/737639107.db2.gz RMRGNDJFRIONNG-ZUWVQAGFSA-N 0 3 359.901 3.430 20 30 FGEDHN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884330624 737656419 /nfs/dbraw/zinc/65/64/19/737656419.db2.gz RZHIYXQMPBYHJP-HYONLYSNSA-N 0 3 366.292 3.180 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCOc3c(Br)cccc32)CCC1 ZINC000886190403 739227570 /nfs/dbraw/zinc/22/75/70/739227570.db2.gz PKEDUMPZNWGLEM-IUODEOHRSA-N 0 3 365.271 3.307 20 30 FGEDHN C#CCN(C(=O)c1cc(F)c(C(F)(F)F)cc1F)C1CCN(C)CC1 ZINC000886575936 739271782 /nfs/dbraw/zinc/27/17/82/739271782.db2.gz PPQFUIQWDGCYIM-UHFFFAOYSA-N 0 3 360.326 3.153 20 30 FGEDHN C#CCN(C(=O)c1cnc(-c2ccccc2F)s1)C1CCN(C)CC1 ZINC000886583248 739272167 /nfs/dbraw/zinc/27/21/67/739272167.db2.gz HVTJCMIEKAVLSE-UHFFFAOYSA-N 0 3 357.454 3.119 20 30 FGEDHN C#CCN(C(=O)c1csc(-c2ccccc2C)n1)C1CCN(C)CC1 ZINC000886582060 739272276 /nfs/dbraw/zinc/27/22/76/739272276.db2.gz FAKIZQWBLBFKOL-UHFFFAOYSA-N 0 3 353.491 3.288 20 30 FGEDHN C#CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)C1CCN(C)CC1 ZINC000886587418 739272956 /nfs/dbraw/zinc/27/29/56/739272956.db2.gz VLHZXSXOPFDFMJ-UHFFFAOYSA-N 0 3 353.491 3.288 20 30 FGEDHN N#CC(C(=O)CCCc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000892457175 740002482 /nfs/dbraw/zinc/00/24/82/740002482.db2.gz FHSLQOGZHRZAEB-HNNXBMFYSA-N 0 3 363.255 3.103 20 30 FGEDHN CO[C@@]1(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)CCSC1 ZINC000892539027 740013851 /nfs/dbraw/zinc/01/38/51/740013851.db2.gz RLRWLARTFUVTHS-QFYYESIMSA-N 0 3 351.378 3.130 20 30 FGEDHN C[C@@H](NCc1cccc(NS(=O)(=O)C2CC2)c1)c1cccc(C#N)c1 ZINC000901700484 743622552 /nfs/dbraw/zinc/62/25/52/743622552.db2.gz ULNYEFQWNWHPDL-CQSZACIVSA-N 0 3 355.463 3.313 20 30 FGEDHN CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(C#N)c1 ZINC000902764361 743773675 /nfs/dbraw/zinc/77/36/75/743773675.db2.gz CQUDLUQKGDRXAY-AUUYWEPGSA-N 0 3 357.479 3.268 20 30 FGEDHN C[C@@H](NC[C@H](CO)Cc1ccccc1Br)c1cc(C#N)ccn1 ZINC000902972372 743794711 /nfs/dbraw/zinc/79/47/11/743794711.db2.gz DDRNANADGSYZAC-UKRRQHHQSA-N 0 3 374.282 3.218 20 30 FGEDHN C[C@H](N[C@H]1CCc2ncc(Br)n2C1)c1ccc(C#N)cc1F ZINC000903479957 743855542 /nfs/dbraw/zinc/85/55/42/743855542.db2.gz UBCCTCCVHBESNA-JQWIXIFHSA-N 0 3 363.234 3.322 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC000940752705 762159883 /nfs/dbraw/zinc/15/98/83/762159883.db2.gz DDNYNIQSXKKMFB-ILXRZTDVSA-N 0 3 362.436 3.137 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000948840174 762352146 /nfs/dbraw/zinc/35/21/46/762352146.db2.gz AGWXLQIKDWIAIQ-YYXLFKDLSA-N 0 3 354.922 3.423 20 30 FGEDHN C#CCN(C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(C)CC1 ZINC000921374895 758700366 /nfs/dbraw/zinc/70/03/66/758700366.db2.gz BOUIAKRKYAZFOJ-HUUCEWRRSA-N 0 3 359.436 3.094 20 30 FGEDHN Cc1nn(C)c(C)c1C[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921784897 758794775 /nfs/dbraw/zinc/79/47/75/758794775.db2.gz IEGOPHUIEXSDGQ-NSHDSACASA-N 0 3 361.287 3.392 20 30 FGEDHN C=CCCC[C@@H]1NC(=O)N(C[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1=O ZINC000924699505 759372988 /nfs/dbraw/zinc/37/29/88/759372988.db2.gz FDEGIVDIZKVJNL-ZOBUZTSGSA-N 0 3 361.511 3.408 20 30 FGEDHN N#C[C@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000930031664 760515131 /nfs/dbraw/zinc/51/51/31/760515131.db2.gz VZUPARBRMXDSNB-QGZVFWFLSA-N 0 3 358.511 3.045 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCOc3ccc(Br)cc32)CCC1 ZINC000932209508 761088493 /nfs/dbraw/zinc/08/84/93/761088493.db2.gz ADWBCXGWBWMNGO-UKRRQHHQSA-N 0 3 365.271 3.307 20 30 FGEDHN C#Cc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(Cl)c1 ZINC000933361332 761370592 /nfs/dbraw/zinc/37/05/92/761370592.db2.gz FZKSBAIVMPWVJV-CQSZACIVSA-N 0 3 361.873 3.038 20 30 FGEDHN O=C(CCN1CCC2(CC1)CC(=O)C=CO2)Nc1ccc(Cl)cc1F ZINC000933653510 761447519 /nfs/dbraw/zinc/44/75/19/761447519.db2.gz UXXBKZRLCYOMIX-UHFFFAOYSA-N 0 3 366.820 3.145 20 30 FGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C[C@]2(C)C1 ZINC000982475983 763584759 /nfs/dbraw/zinc/58/47/59/763584759.db2.gz SRWZZUPFRAXIHA-OHHBCXFOSA-N 0 3 362.926 3.309 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC000990740736 764559413 /nfs/dbraw/zinc/55/94/13/764559413.db2.gz LJUTZPPCAPLFAK-DOADOZAASA-N 0 3 360.523 3.343 20 30 FGEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000996613051 765021142 /nfs/dbraw/zinc/02/11/42/765021142.db2.gz WBCRTWMNRHMMML-IJEWVQPXSA-N 0 3 353.304 3.078 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001017167915 765831859 /nfs/dbraw/zinc/83/18/59/765831859.db2.gz ITAGKFUJPXEFJX-RZQQEMMASA-N 0 3 357.523 3.480 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2cccc(Cl)c2F)C1 ZINC001022737011 766020082 /nfs/dbraw/zinc/02/00/82/766020082.db2.gz MLDUDLWQXTZNHF-FVFNWAJOSA-N 0 3 366.864 3.368 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2C)C1 ZINC001028809619 766133069 /nfs/dbraw/zinc/13/30/69/766133069.db2.gz LMKXEZICNMXVED-LZQZEXGQSA-N 0 3 362.901 3.178 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033498827 766221072 /nfs/dbraw/zinc/22/10/72/766221072.db2.gz DUXMYGXYTPXZED-FHWLQOOXSA-N 0 3 362.539 3.379 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001035237155 766258300 /nfs/dbraw/zinc/25/83/00/766258300.db2.gz SKOORWYRJHJTAX-MEAXQBBOSA-N 0 3 366.933 3.425 20 30 FGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)CC1 ZINC001040883248 766330638 /nfs/dbraw/zinc/33/06/38/766330638.db2.gz LRQHUPUZHBMUNE-RBUKOAKNSA-N 0 3 356.897 3.391 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ccc(F)cc1Cl ZINC001045207923 766517052 /nfs/dbraw/zinc/51/70/52/766517052.db2.gz PTJIFANOGRCQNN-JZXOWHBKSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1csc(C)c1 ZINC001045850805 766574963 /nfs/dbraw/zinc/57/49/63/766574963.db2.gz HXJPUEJPEZHUDA-HCXYKTFWSA-N 0 3 360.523 3.213 20 30 FGEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001046751761 766607780 /nfs/dbraw/zinc/60/77/80/766607780.db2.gz OZYZRSVMYRXGBE-IQUTYRLHSA-N 0 3 352.400 3.364 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC001054200622 767000103 /nfs/dbraw/zinc/00/01/03/767000103.db2.gz FXYJGQQNYOLTFF-HBFSDRIKSA-N 0 3 360.523 3.154 20 30 FGEDHN N#Cc1cccc(CNC[C@@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000573794314 505622407 /nfs/dbraw/zinc/62/24/07/505622407.db2.gz DIVPDOLAURUZHS-OAHLLOKOSA-N 0 3 350.340 3.107 20 30 FGEDHN COc1ccc(Br)cc1C1(NC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598624660 507521271 /nfs/dbraw/zinc/52/12/71/507521271.db2.gz KFNXOTDQXXZIPN-ZDUSSCGKSA-N 0 3 367.287 3.337 20 30 FGEDHN CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000568358233 505674690 /nfs/dbraw/zinc/67/46/90/505674690.db2.gz JGHAZDLBWLOGAL-IBGZPJMESA-N 0 3 364.497 3.462 20 30 FGEDHN Cc1cccc(CN2CCC(NC(=O)COc3ccccc3C#N)CC2)c1 ZINC000048363549 493820522 /nfs/dbraw/zinc/82/05/22/493820522.db2.gz SRDPFDPVRUPTHL-UHFFFAOYSA-N 0 3 363.461 3.026 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000068885308 493889164 /nfs/dbraw/zinc/88/91/64/493889164.db2.gz VNKCWTWGYVPAMR-QGZVFWFLSA-N 0 3 374.485 3.413 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3cccc([N+](=O)[O-])c3)C2)c(F)c1 ZINC000068991062 493903455 /nfs/dbraw/zinc/90/34/55/493903455.db2.gz XZEHXJHPDURRML-INIZCTEOSA-N 0 3 354.385 3.364 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3csc([N+](=O)[O-])c3)C2)c(F)c1 ZINC000068991084 493903811 /nfs/dbraw/zinc/90/38/11/493903811.db2.gz GPTWIIKUHAEMBZ-AWEZNQCLSA-N 0 3 360.414 3.426 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2NCc2cccnc2)CC1 ZINC000081779813 493953598 /nfs/dbraw/zinc/95/35/98/493953598.db2.gz CAJIKKSBEYSCII-UHFFFAOYSA-N 0 3 364.493 3.464 20 30 FGEDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000051406793 493967556 /nfs/dbraw/zinc/96/75/56/493967556.db2.gz FJJAPOIVQZVXRV-QGZVFWFLSA-N 0 3 364.367 3.449 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(C#N)c1 ZINC000062485213 494013834 /nfs/dbraw/zinc/01/38/34/494013834.db2.gz LQUKXVWFSZPZPP-UHFFFAOYSA-N 0 3 370.884 3.485 20 30 FGEDHN COC(=O)COc1c(C)cc(C(=O)C(C#N)c2nc(C)cs2)cc1C ZINC000083937514 494038094 /nfs/dbraw/zinc/03/80/94/494038094.db2.gz VXIQBSQOCYDMDI-AWEZNQCLSA-N 0 3 358.419 3.110 20 30 FGEDHN N#Cc1ccc(CNC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000070060323 494041560 /nfs/dbraw/zinc/04/15/60/494041560.db2.gz FFASPXCRZWBLSN-UHFFFAOYSA-N 0 3 372.538 3.109 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000070754785 494053806 /nfs/dbraw/zinc/05/38/06/494053806.db2.gz UXXMFEBIWBUZDN-IIBYNOLFSA-N 0 3 368.477 3.268 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C(C)C)C2CCOCC2)c1 ZINC000077323608 494058136 /nfs/dbraw/zinc/05/81/36/494058136.db2.gz BNACMVWUSGJVDD-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN COc1ccc(COC[C@@H](O)CN(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750317 494082565 /nfs/dbraw/zinc/08/25/65/494082565.db2.gz BXYFWGASSLVWKF-NRFANRHFSA-N 0 3 368.477 3.355 20 30 FGEDHN CCSc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000053055680 494088307 /nfs/dbraw/zinc/08/83/07/494088307.db2.gz DSTNQUBRBXRHBY-UHFFFAOYSA-N 0 3 368.506 3.269 20 30 FGEDHN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1 ZINC000568476804 505703449 /nfs/dbraw/zinc/70/34/49/505703449.db2.gz DELZANYGZLDQTE-UHFFFAOYSA-N 0 3 366.513 3.393 20 30 FGEDHN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000077866319 494194196 /nfs/dbraw/zinc/19/41/96/494194196.db2.gz SVMWCAXYEPJUEQ-ZDUSSCGKSA-N 0 3 359.773 3.056 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534592 494211295 /nfs/dbraw/zinc/21/12/95/494211295.db2.gz UBHIFCRZLITYGJ-UHFFFAOYSA-N 0 3 366.421 3.058 20 30 FGEDHN COC1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000054429685 494234694 /nfs/dbraw/zinc/23/46/94/494234694.db2.gz MHOCLDZYWXHQSY-ZDUSSCGKSA-N 0 3 361.511 3.184 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000042657919 494235176 /nfs/dbraw/zinc/23/51/76/494235176.db2.gz HJBWHRRRLXOMSL-JOCHJYFZSA-N 0 3 363.461 3.332 20 30 FGEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801678 494252700 /nfs/dbraw/zinc/25/27/00/494252700.db2.gz JUBIRIWSPJXKQG-HXUWFJFHSA-N 0 3 374.916 3.049 20 30 FGEDHN Cc1ccc(C)c(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930844 494256977 /nfs/dbraw/zinc/25/69/77/494256977.db2.gz PNYRBPZIVJSZEM-UHFFFAOYSA-N 0 3 365.477 3.144 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000065987102 494265984 /nfs/dbraw/zinc/26/59/84/494265984.db2.gz UPRFAWYQEKAMAL-UHFFFAOYSA-N 0 3 367.409 3.062 20 30 FGEDHN C#CCNC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)nc1 ZINC000078338109 494281845 /nfs/dbraw/zinc/28/18/45/494281845.db2.gz TZZRWYGXEPSZTP-HNAYVOBHSA-N 0 3 368.506 3.001 20 30 FGEDHN C=CCOc1cccc(CN[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000577360335 505712466 /nfs/dbraw/zinc/71/24/66/505712466.db2.gz UKTJLVXLOMIFLN-GMAHTHKFSA-N 0 3 366.505 3.224 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@H](CCCc1ccccc1)c1ccccc1 ZINC000015056602 494335067 /nfs/dbraw/zinc/33/50/67/494335067.db2.gz XCLXAEVIECPJFG-HXUWFJFHSA-N 0 3 365.477 3.352 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1scnc1C1CC1 ZINC000089809710 494369537 /nfs/dbraw/zinc/36/95/37/494369537.db2.gz QRXYGKKIFHZKCJ-UHFFFAOYSA-N 0 3 354.479 3.096 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3cccnc3)nc2)CC1 ZINC000089884508 494392333 /nfs/dbraw/zinc/39/23/33/494392333.db2.gz HOYBAYAAWKCVEP-UHFFFAOYSA-N 0 3 353.426 3.041 20 30 FGEDHN C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000073669455 494410095 /nfs/dbraw/zinc/41/00/95/494410095.db2.gz RNKODSFMYLIWJN-UHFFFAOYSA-N 0 3 352.438 3.308 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000045767855 494458541 /nfs/dbraw/zinc/45/85/41/494458541.db2.gz XVQXPUORLFLKEV-UHFFFAOYSA-N 0 3 359.539 3.463 20 30 FGEDHN CCCN1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000074289747 494511395 /nfs/dbraw/zinc/51/13/95/494511395.db2.gz CBFUEMCXWNNXLL-UHFFFAOYSA-N 0 3 352.482 3.155 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000056743586 494554680 /nfs/dbraw/zinc/55/46/80/494554680.db2.gz DDHJHAAIOQDNFS-GOSISDBHSA-N 0 3 366.465 3.251 20 30 FGEDHN C/C=C\c1ccc(OC[C@H](O)CN(C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000046835888 494572822 /nfs/dbraw/zinc/57/28/22/494572822.db2.gz GZHFFTXTJFDZHY-RDBXKPKDSA-N 0 3 366.461 3.472 20 30 FGEDHN C[C@@H]1CN(c2ccc(CNC3CC(C#N)(c4ccccc4)C3)cn2)CCO1 ZINC000125940484 494582616 /nfs/dbraw/zinc/58/26/16/494582616.db2.gz FCIQOUZNOMMWOA-FEPNQTLGSA-N 0 3 362.477 3.020 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000080230860 494644331 /nfs/dbraw/zinc/64/43/31/494644331.db2.gz BBXJHCQVTLRORS-FXAWDEMLSA-N 0 3 364.493 3.462 20 30 FGEDHN N#Cc1ccc([C@H](S[C@@H]2CCCN(Cc3ccccc3)C2)C(N)=O)cc1 ZINC000580326345 505733487 /nfs/dbraw/zinc/73/34/87/505733487.db2.gz OMIUKMDIBNAATF-UXHICEINSA-N 0 3 365.502 3.482 20 30 FGEDHN N#C[C@H]1CN(C(=O)Nc2ccc(SCCN3CCCCC3)cc2)CCO1 ZINC000580324107 505733502 /nfs/dbraw/zinc/73/35/02/505733502.db2.gz ZXDURFVVTUWOSS-KRWDZBQOSA-N 0 3 374.510 3.021 20 30 FGEDHN N#Cc1cc(NC(=O)[C@H](C2CC2)N2CCCC2)ccc1OCC(F)(F)F ZINC000126174065 494660903 /nfs/dbraw/zinc/66/09/03/494660903.db2.gz OJVJZEFFXAPICY-INIZCTEOSA-N 0 3 367.371 3.312 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000092567640 494670887 /nfs/dbraw/zinc/67/08/87/494670887.db2.gz ARBTZHZVLRSWSX-UHFFFAOYSA-N 0 3 361.449 3.096 20 30 FGEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000091932283 494725850 /nfs/dbraw/zinc/72/58/50/494725850.db2.gz NKIDCACBGGQCDG-FQEVSTJZSA-N 0 3 359.477 3.302 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091949488 494729978 /nfs/dbraw/zinc/72/99/78/494729978.db2.gz JJHGYBWJENYHME-SFHVURJKSA-N 0 3 354.494 3.169 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000108529363 494731524 /nfs/dbraw/zinc/73/15/24/494731524.db2.gz PQARTQNAQPJOOE-CQSZACIVSA-N 0 3 372.498 3.340 20 30 FGEDHN C[C@@H]1C[C@@H](C)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000025508309 494748595 /nfs/dbraw/zinc/74/85/95/494748595.db2.gz LOIHCCMCIOLKJT-HUUCEWRRSA-N 0 3 352.400 3.151 20 30 FGEDHN C=CCc1ccc(OCC(=O)N2CCC[C@H]2CN2CCCCC2)c(OC)c1 ZINC000068135671 494776308 /nfs/dbraw/zinc/77/63/08/494776308.db2.gz TWWCJTYGJKAVFB-IBGZPJMESA-N 0 3 372.509 3.279 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1OCCCC#N ZINC000092073585 494780505 /nfs/dbraw/zinc/78/05/05/494780505.db2.gz FHNCCDHVUPJAQA-QGZVFWFLSA-N 0 3 354.454 3.480 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(Cn3ccnn3)CC2)ccc1OC ZINC000092098990 494789809 /nfs/dbraw/zinc/78/98/09/494789809.db2.gz KUJFUWSSJKUROM-UHFFFAOYSA-N 0 3 356.470 3.154 20 30 FGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1C1CC1 ZINC000026037050 494797747 /nfs/dbraw/zinc/79/77/47/494797747.db2.gz KZBGNWBHOYOZHJ-GFCCVEGCSA-N 0 3 359.480 3.075 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000026329637 494819295 /nfs/dbraw/zinc/81/92/95/494819295.db2.gz HSFOWHZQIJFMAC-UHFFFAOYSA-N 0 3 352.394 3.236 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000122201337 494939419 /nfs/dbraw/zinc/93/94/19/494939419.db2.gz NNEMTSVIUBFCFH-QGZVFWFLSA-N 0 3 355.401 3.308 20 30 FGEDHN C[C@H](CNC(=O)CSc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000110351337 494972215 /nfs/dbraw/zinc/97/22/15/494972215.db2.gz ALUDVHFNRUYFOK-MRXNPFEDSA-N 0 3 353.491 3.287 20 30 FGEDHN C=CCCOCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000122656626 495010966 /nfs/dbraw/zinc/01/09/66/495010966.db2.gz LHOGVVXVINOZSH-UYAOXDASSA-N 0 3 359.514 3.274 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CCN1C ZINC000122750999 495025359 /nfs/dbraw/zinc/02/53/59/495025359.db2.gz PQLSYKNGQGCKMB-DOTOQJQBSA-N 0 3 367.449 3.285 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000110998227 495029117 /nfs/dbraw/zinc/02/91/17/495029117.db2.gz JFVCZIVYWWJCGP-CQSZACIVSA-N 0 3 358.511 3.157 20 30 FGEDHN COCC1(NCc2cccc(OCc3ccccc3C#N)c2)CCOCC1 ZINC000580423759 505756651 /nfs/dbraw/zinc/75/66/51/505756651.db2.gz RMCJHFDBNSPRTB-UHFFFAOYSA-N 0 3 366.461 3.422 20 30 FGEDHN C=CC1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000111258152 495056414 /nfs/dbraw/zinc/05/64/14/495056414.db2.gz OBRPCEYRYNARDN-GOSISDBHSA-N 0 3 358.482 3.265 20 30 FGEDHN N#Cc1ccccc1N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000101519679 495070015 /nfs/dbraw/zinc/07/00/15/495070015.db2.gz DARWLKIFKORPSI-UHFFFAOYSA-N 0 3 374.488 3.116 20 30 FGEDHN CC1(C)Cc2cccc(CNC3CCN(c4ccc(C#N)cn4)CC3)c2O1 ZINC000119011802 495070706 /nfs/dbraw/zinc/07/07/06/495070706.db2.gz LMKXMEMLPBGNEU-UHFFFAOYSA-N 0 3 362.477 3.425 20 30 FGEDHN C=CCC(CC=C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000123094906 495080182 /nfs/dbraw/zinc/08/01/82/495080182.db2.gz IORMBQYRYVKQEG-NRFANRHFSA-N 0 3 355.526 3.250 20 30 FGEDHN COc1ccc([C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 ZINC000128394250 495089738 /nfs/dbraw/zinc/08/97/38/495089738.db2.gz MFHISEBCFIKYDL-FQEVSTJZSA-N 0 3 372.490 3.327 20 30 FGEDHN N#Cc1ccc2ncc(CNCCOc3cccc(Br)c3)n2c1 ZINC000123412133 495128376 /nfs/dbraw/zinc/12/83/76/495128376.db2.gz QHGMPIYOZWQPMG-UHFFFAOYSA-N 0 3 371.238 3.137 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2C)C(C)C ZINC000134607747 495174563 /nfs/dbraw/zinc/17/45/63/495174563.db2.gz KMXZKASZDKUXAP-FQEVSTJZSA-N 0 3 369.509 3.024 20 30 FGEDHN CN1CCC(Nc2ccccc2NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000103252077 495210267 /nfs/dbraw/zinc/21/02/67/495210267.db2.gz HMTOWSOBZMFVAL-UHFFFAOYSA-N 0 3 363.465 3.115 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000134923882 495224927 /nfs/dbraw/zinc/22/49/27/495224927.db2.gz IOQLYZZURZTBFH-IDHHARJASA-N 0 3 370.497 3.044 20 30 FGEDHN Cc1cccc(-c2n[nH]cc2CN2CCCN(c3ncccc3C#N)CC2)c1 ZINC000129664368 495277468 /nfs/dbraw/zinc/27/74/68/495277468.db2.gz QOEPHBQJHDGCKL-UHFFFAOYSA-N 0 3 372.476 3.364 20 30 FGEDHN C=CCOc1ccc(CN2CCN(C3CCOCC3)CC2)cc1Cl ZINC000129724356 495286590 /nfs/dbraw/zinc/28/65/90/495286590.db2.gz TYIUHCNJNKMSBD-UHFFFAOYSA-N 0 3 350.890 3.201 20 30 FGEDHN C#CCCOc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000113324373 495296464 /nfs/dbraw/zinc/29/64/64/495296464.db2.gz YPRRRBXZKIMIGV-UHFFFAOYSA-N 0 3 368.452 3.354 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@]2(C)CCOC2)cc1OC ZINC000120124120 495312143 /nfs/dbraw/zinc/31/21/43/495312143.db2.gz RNCKJQNQSMNPDA-MRXNPFEDSA-N 0 3 356.260 3.291 20 30 FGEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COCc3cccs3)CC2)c1 ZINC000104963139 495319077 /nfs/dbraw/zinc/31/90/77/495319077.db2.gz PFZCUWFGKPNJSJ-KRWDZBQOSA-N 0 3 372.490 3.041 20 30 FGEDHN CC(C)C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)N(C)C ZINC000114377567 495368111 /nfs/dbraw/zinc/36/81/11/495368111.db2.gz WFGGLWSWGCGHQR-SFHVURJKSA-N 0 3 369.465 3.436 20 30 FGEDHN COc1ccc(CNC[C@@](C)(O)c2ccccc2)cc1OCCCC#N ZINC000114508109 495387217 /nfs/dbraw/zinc/38/72/17/495387217.db2.gz QWFQLYYBLBQKJZ-OAQYLSRUSA-N 0 3 354.450 3.375 20 30 FGEDHN CN(CCC#N)c1ccc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1 ZINC000114509220 495387314 /nfs/dbraw/zinc/38/73/14/495387314.db2.gz BOYOBTCMLQAIHX-HXUWFJFHSA-N 0 3 359.420 3.312 20 30 FGEDHN Cc1nccn1CCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000130408543 495387822 /nfs/dbraw/zinc/38/78/22/495387822.db2.gz SLYPNKJBOWFICW-UHFFFAOYSA-N 0 3 351.372 3.464 20 30 FGEDHN C#Cc1cccc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000105718742 495389221 /nfs/dbraw/zinc/38/92/21/495389221.db2.gz IKNKOSUCBBEYSY-UHFFFAOYSA-N 0 3 362.477 3.234 20 30 FGEDHN COC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000136638224 495392078 /nfs/dbraw/zinc/39/20/78/495392078.db2.gz YRIUQXPUFABYKO-LRDDRELGSA-N 0 3 361.511 3.230 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000106266770 495441103 /nfs/dbraw/zinc/44/11/03/495441103.db2.gz CSNSJZOZQPLXJI-CTNGQTDRSA-N 0 3 371.525 3.494 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000106269111 495441890 /nfs/dbraw/zinc/44/18/90/495441890.db2.gz LUEPHJDXJVJOIO-LJQANCHMSA-N 0 3 374.529 3.065 20 30 FGEDHN C[C@@H](CCCOc1ccccc1C(N)=O)NCc1ccc(C#N)cc1F ZINC000138684302 495466530 /nfs/dbraw/zinc/46/65/30/495466530.db2.gz UJRNHSJDYOPBDX-AWEZNQCLSA-N 0 3 355.413 3.134 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)c1ccccc1 ZINC000130976891 495473878 /nfs/dbraw/zinc/47/38/78/495473878.db2.gz BGAGALVXDVCSKL-WOJBJXKFSA-N 0 3 359.514 3.086 20 30 FGEDHN N#CC(C(=O)c1cccc(Oc2cnccn2)c1)c1nnc2n1CCCCC2 ZINC000131065580 495487161 /nfs/dbraw/zinc/48/71/61/495487161.db2.gz FTCBAGUHVKXCMJ-INIZCTEOSA-N 0 3 374.404 3.077 20 30 FGEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1C(C)(C)C ZINC000125795719 495500380 /nfs/dbraw/zinc/50/03/80/495500380.db2.gz IBXJZOPURZPWFA-UHFFFAOYSA-N 0 3 367.497 3.022 20 30 FGEDHN Cc1cc(NC(=O)c2cccc(CN3CCCCC3)c2)n(CCC#N)n1 ZINC000574499839 505786501 /nfs/dbraw/zinc/78/65/01/505786501.db2.gz ZKLJFDWELGUFKX-UHFFFAOYSA-N 0 3 351.454 3.343 20 30 FGEDHN CC(C)Oc1ccc(CC[C@@H](C)N[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115597668 495520724 /nfs/dbraw/zinc/52/07/24/495520724.db2.gz ITACFVNDULQUBE-IIBYNOLFSA-N 0 3 365.477 3.483 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-c2ncon2)cc1)C(C)C ZINC000107357702 495525908 /nfs/dbraw/zinc/52/59/08/495525908.db2.gz GWVULILISQXEHD-GOSISDBHSA-N 0 3 354.454 3.165 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C)[C@@H](C)COC)cc1OC ZINC000179370129 495564657 /nfs/dbraw/zinc/56/46/57/495564657.db2.gz YVLOVIQMYYWQLA-LBPRGKRZSA-N 0 3 358.276 3.489 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3C)c2CC)CC1 ZINC000185407652 495565638 /nfs/dbraw/zinc/56/56/38/495565638.db2.gz IFYKZMLXRKEJCQ-UHFFFAOYSA-N 0 3 352.482 3.123 20 30 FGEDHN C=CCNC(=O)[C@H](C)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000170714978 495577879 /nfs/dbraw/zinc/57/78/79/495577879.db2.gz GFLCJNWLDPCRTJ-SFHVURJKSA-N 0 3 374.488 3.379 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(CC)CC1 ZINC000158897795 495610748 /nfs/dbraw/zinc/61/07/48/495610748.db2.gz IPOSOHQYPBBOOA-UHFFFAOYSA-N 0 3 356.388 3.484 20 30 FGEDHN C=CCN1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182645488 495648891 /nfs/dbraw/zinc/64/88/91/495648891.db2.gz AHULIYYHSCLVJB-UHFFFAOYSA-N 0 3 369.874 3.107 20 30 FGEDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000174000515 495782981 /nfs/dbraw/zinc/78/29/81/495782981.db2.gz SPNOJCHGUDQKAY-INIZCTEOSA-N 0 3 371.506 3.438 20 30 FGEDHN CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCCCC1 ZINC000171292349 495807329 /nfs/dbraw/zinc/80/73/29/495807329.db2.gz LLOYWLOUHOPTRA-UHFFFAOYSA-N 0 3 354.498 3.497 20 30 FGEDHN C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCC[C@@H](C)C1 ZINC000171304786 495813245 /nfs/dbraw/zinc/81/32/45/495813245.db2.gz RTUAJZGHUCREBZ-SJORKVTESA-N 0 3 354.498 3.353 20 30 FGEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1C(F)(F)F ZINC000174094254 495818262 /nfs/dbraw/zinc/81/82/62/495818262.db2.gz GUZORSACQRBMCK-CQSZACIVSA-N 0 3 350.344 3.055 20 30 FGEDHN C=CCC[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000180038489 495833047 /nfs/dbraw/zinc/83/30/47/495833047.db2.gz QHLRLOVIZBOJHP-SFHVURJKSA-N 0 3 352.434 3.329 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000159955907 495849026 /nfs/dbraw/zinc/84/90/26/495849026.db2.gz XZUSVWQYFYTKFT-LAUBAEHRSA-N 0 3 362.477 3.363 20 30 FGEDHN Cn1cc(CNCCOc2cccc(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180093393 495856042 /nfs/dbraw/zinc/85/60/42/495856042.db2.gz BOFJQJDIVZAENJ-UHFFFAOYSA-N 0 3 350.397 3.266 20 30 FGEDHN C=CCN(CC=C)[C@H](CNc1ccc2nnc(C(F)F)n2n1)C(C)C ZINC000160124651 495890684 /nfs/dbraw/zinc/89/06/84/495890684.db2.gz KYGIMQYIZWHEEE-CYBMUJFWSA-N 0 3 350.417 3.172 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000155280572 495902480 /nfs/dbraw/zinc/90/24/80/495902480.db2.gz YTLWNADSZAOZEB-FUTAKVPZSA-N 0 3 360.461 3.308 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000171560535 495927081 /nfs/dbraw/zinc/92/70/81/495927081.db2.gz WLVHBXQNFVLCBN-UHFFFAOYSA-N 0 3 370.472 3.415 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000151835152 495964468 /nfs/dbraw/zinc/96/44/68/495964468.db2.gz HAKKYMRNSXIAJG-UHFFFAOYSA-N 0 3 355.438 3.142 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-][C@@H]2CCCC[C@H]2C)cc1 ZINC000151927836 495994858 /nfs/dbraw/zinc/99/48/58/495994858.db2.gz QUDWOSVWVLMYPJ-NVXWUHKLSA-O 0 3 371.530 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000171727962 496010133 /nfs/dbraw/zinc/01/01/33/496010133.db2.gz SDAAWDFYHWOEMV-UHFFFAOYSA-N 0 3 362.271 3.311 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC000171737437 496013700 /nfs/dbraw/zinc/01/37/00/496013700.db2.gz HTSFETNBWGYMAE-UHFFFAOYSA-N 0 3 351.878 3.140 20 30 FGEDHN C=CCOc1c(Br)cc(CNC(C)(C)CCO)cc1OC ZINC000174579150 496019905 /nfs/dbraw/zinc/01/99/05/496019905.db2.gz RXYCZJPOJXMQLK-UHFFFAOYSA-N 0 3 358.276 3.273 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3cc(F)ccc3C#N)CC2)C[C@@H](C)O1 ZINC000160982762 496078761 /nfs/dbraw/zinc/07/87/61/496078761.db2.gz IDTQNELPJOWVEY-IAGOWNOFSA-N 0 3 359.489 3.409 20 30 FGEDHN CC[C@@H](NCCOc1ccc(C#N)cc1OC)c1ccc2c(c1)OCCO2 ZINC000180647016 496085750 /nfs/dbraw/zinc/08/57/50/496085750.db2.gz QWNAQQGOBLAGNU-QGZVFWFLSA-N 0 3 368.433 3.458 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186670105 496100256 /nfs/dbraw/zinc/10/02/56/496100256.db2.gz NQVBGPSGSCUULD-LJQANCHMSA-N 0 3 353.447 3.080 20 30 FGEDHN CCCCc1oc2ccccc2c1CNCCNC(=O)C1N=CC=CC1=O ZINC000172124542 496175817 /nfs/dbraw/zinc/17/58/17/496175817.db2.gz FTNCOHFRZHSZME-MRCUWXFGSA-N 0 3 367.449 3.391 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3nccc(C)n3)cc2)CC1 ZINC000177769759 496188386 /nfs/dbraw/zinc/18/83/86/496188386.db2.gz MJSZQLFRXAKQNN-UHFFFAOYSA-N 0 3 367.453 3.349 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C2CCC(CO)CC2)c1 ZINC000156285327 496206909 /nfs/dbraw/zinc/20/69/09/496206909.db2.gz RQTHACPQTLAFEV-UHFFFAOYSA-N 0 3 357.498 3.033 20 30 FGEDHN C=CCC[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccccc1 ZINC000156461553 496251046 /nfs/dbraw/zinc/25/10/46/496251046.db2.gz NJJIYWLDZXHZBZ-HXUWFJFHSA-N 0 3 358.530 3.021 20 30 FGEDHN COc1cc(CN(C)C[C@@H](O)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000156629256 496297461 /nfs/dbraw/zinc/29/74/61/496297461.db2.gz PCEFGZJGYHZJKR-HXUWFJFHSA-N 0 3 366.461 3.349 20 30 FGEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cnnn2)cc1 ZINC000181213377 496314214 /nfs/dbraw/zinc/31/42/14/496314214.db2.gz JKZFCBKCHWKOBX-AWEZNQCLSA-N 0 3 371.366 3.383 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181290490 496342588 /nfs/dbraw/zinc/34/25/88/496342588.db2.gz SEQUOYJGJDTWQU-HZPDHXFCSA-N 0 3 359.470 3.107 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181326820 496355222 /nfs/dbraw/zinc/35/52/22/496355222.db2.gz BZTIKNPQBUWFNV-HZPDHXFCSA-N 0 3 359.470 3.107 20 30 FGEDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000569054055 505839416 /nfs/dbraw/zinc/83/94/16/505839416.db2.gz DTFKBRZOCUNPST-KRWDZBQOSA-N 0 3 357.479 3.298 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000578003631 505839544 /nfs/dbraw/zinc/83/95/44/505839544.db2.gz NZWHJIPDBICPHY-KDOFPFPSSA-N 0 3 354.479 3.082 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000162653075 496390031 /nfs/dbraw/zinc/39/00/31/496390031.db2.gz YFMAPGUQXWGRFW-UHFFFAOYSA-N 0 3 368.525 3.261 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CCOCC1 ZINC000599350732 506422635 /nfs/dbraw/zinc/42/26/35/506422635.db2.gz YYGCSTASHPRIFJ-JKSUJKDBSA-N 0 3 374.378 3.480 20 30 FGEDHN CN(C)CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CCCC1 ZINC000153503194 496478419 /nfs/dbraw/zinc/47/84/19/496478419.db2.gz LOAQJXKZSUZNNM-UHFFFAOYSA-N 0 3 366.412 3.498 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCOCc2ccc(Cl)cc2)CC1 ZINC000163365226 496505370 /nfs/dbraw/zinc/50/53/70/496505370.db2.gz RXQZTXYRBIRNDO-UHFFFAOYSA-N 0 3 365.905 3.196 20 30 FGEDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1O2 ZINC000175724695 496516095 /nfs/dbraw/zinc/51/60/95/496516095.db2.gz KZHQQSNLVHTJOM-MRXNPFEDSA-N 0 3 367.474 3.338 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc([S@](C)=O)cc1)C(C)C ZINC000175749505 496527616 /nfs/dbraw/zinc/52/76/16/496527616.db2.gz ABAAHQJKYVVJHC-BVZFJXPGSA-N 0 3 363.527 3.244 20 30 FGEDHN CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCCN(C)C1 ZINC000153827297 496593860 /nfs/dbraw/zinc/59/38/60/496593860.db2.gz UBFQHDZBKLXZFW-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN Cc1ccoc1C(=O)NCCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000580863391 505855007 /nfs/dbraw/zinc/85/50/07/505855007.db2.gz PVFBVFPAZIPWAO-UHFFFAOYSA-N 0 3 365.355 3.388 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000167342781 496700158 /nfs/dbraw/zinc/70/01/58/496700158.db2.gz QYBPSKXWAAHISV-KRWDZBQOSA-N 0 3 357.498 3.065 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000158432785 496700762 /nfs/dbraw/zinc/70/07/62/496700762.db2.gz PNPVBMUXDJMRKP-INIZCTEOSA-N 0 3 350.466 3.216 20 30 FGEDHN CN1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)C2)C1 ZINC000580884244 505860704 /nfs/dbraw/zinc/86/07/04/505860704.db2.gz NEZSLDGPTQWIIM-TZIWHRDSSA-N 0 3 352.482 3.063 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CC)Oc2ccccc2C)CC1 ZINC000176154627 496707060 /nfs/dbraw/zinc/70/70/60/496707060.db2.gz VIKWBAYVXPMOMV-IBGZPJMESA-N 0 3 359.514 3.492 20 30 FGEDHN CN1CCC[C@@]2(CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)C2)C1 ZINC000580884243 505860909 /nfs/dbraw/zinc/86/09/09/505860909.db2.gz NEZSLDGPTQWIIM-PZJWPPBQSA-N 0 3 352.482 3.063 20 30 FGEDHN N#Cc1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000578101936 505861764 /nfs/dbraw/zinc/86/17/64/505861764.db2.gz IAVWUKJZDSKVEL-MRXNPFEDSA-N 0 3 352.331 3.409 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccccc2OC(F)F)CC1 ZINC000191369745 496740322 /nfs/dbraw/zinc/74/03/22/496740322.db2.gz UPPDRWKJKKJKLM-UHFFFAOYSA-N 0 3 367.440 3.170 20 30 FGEDHN CN(Cc1ccc(Cl)cc1C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188317795 496750686 /nfs/dbraw/zinc/75/06/86/496750686.db2.gz LJHLTNZZXNNURU-OAQYLSRUSA-N 0 3 369.896 3.280 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000191411820 496754715 /nfs/dbraw/zinc/75/47/15/496754715.db2.gz RDZTZDYGUTYGHL-AWEZNQCLSA-N 0 3 372.498 3.483 20 30 FGEDHN CC(=O)c1ccc(C#N)c(NCc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000273267634 496758104 /nfs/dbraw/zinc/75/81/04/496758104.db2.gz ZHIXNXVXXDZMCF-UHFFFAOYSA-N 0 3 363.461 3.330 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCCC#N ZINC000264094268 496810980 /nfs/dbraw/zinc/81/09/80/496810980.db2.gz QOPZJNVTQTZMBL-UHFFFAOYSA-N 0 3 370.419 3.472 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000191889128 496920732 /nfs/dbraw/zinc/92/07/32/496920732.db2.gz NLRPIZSPWHLDEV-FPOVZHCZSA-N 0 3 368.502 3.333 20 30 FGEDHN Cc1ccccc1C(=O)NC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264584686 496935872 /nfs/dbraw/zinc/93/58/72/496935872.db2.gz WWXBKTANRJNYGW-UHFFFAOYSA-N 0 3 363.461 3.292 20 30 FGEDHN CN(C)c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000264952082 497018824 /nfs/dbraw/zinc/01/88/24/497018824.db2.gz KTPHQYHISSGWAB-UHFFFAOYSA-N 0 3 360.465 3.215 20 30 FGEDHN CC(C)CN(C(=O)/C=C/c1ccc(OCC#N)cc1)C1CCN(C)CC1 ZINC000265127793 497053743 /nfs/dbraw/zinc/05/37/43/497053743.db2.gz PYLFFDDGQGYWRM-RMKNXTFCSA-N 0 3 355.482 3.181 20 30 FGEDHN COC1CCC(N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000265241483 497079938 /nfs/dbraw/zinc/07/99/38/497079938.db2.gz UCAQCWUFHLHHEM-UHFFFAOYSA-N 0 3 357.498 3.440 20 30 FGEDHN COc1ccc(CNCC[S@@](=O)C(C)(C)C)cc1OCCCC#N ZINC000265294008 497091860 /nfs/dbraw/zinc/09/18/60/497091860.db2.gz 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N#CCCN(Cc1ccco1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278690861 497190883 /nfs/dbraw/zinc/19/08/83/497190883.db2.gz SHGPSDBOBVHKQP-NRFANRHFSA-N 0 3 353.466 3.286 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000278723019 497200725 /nfs/dbraw/zinc/20/07/25/497200725.db2.gz VGJZQMCWOSLSRN-BLLLJJGKSA-N 0 3 373.434 3.164 20 30 FGEDHN Cc1ccc([C@@H](O)CNCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000265992984 497226482 /nfs/dbraw/zinc/22/64/82/497226482.db2.gz NZINOMNLVADLMF-SFHVURJKSA-N 0 3 350.422 3.188 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000278806928 497227369 /nfs/dbraw/zinc/22/73/69/497227369.db2.gz ZQXKUJWPWWLFSY-UHFFFAOYSA-N 0 3 357.198 3.011 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278858116 497244645 /nfs/dbraw/zinc/24/46/45/497244645.db2.gz KYMLKNWPMNCTKH-UHFFFAOYSA-N 0 3 350.466 3.479 20 30 FGEDHN Cc1noc(-c2cccnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000266109958 497258131 /nfs/dbraw/zinc/25/81/31/497258131.db2.gz JWNSYEXKUIKHAW-UHFFFAOYSA-N 0 3 374.448 3.024 20 30 FGEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000249965812 497259765 /nfs/dbraw/zinc/25/97/65/497259765.db2.gz NRIDZVOYFYYHQZ-KAGYGMCKSA-N 0 3 370.541 3.198 20 30 FGEDHN C=CCOc1ccc(CNCCC(=O)NCc2cccnc2)cc1Cl ZINC000237694404 497277265 /nfs/dbraw/zinc/27/72/65/497277265.db2.gz LXWMJPNAUJJCNH-UHFFFAOYSA-N 0 3 359.857 3.096 20 30 FGEDHN CO[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[C@@H]1C ZINC000251944488 497291751 /nfs/dbraw/zinc/29/17/51/497291751.db2.gz UXJCEMUVIMXYAT-XJKSGUPXSA-N 0 3 361.511 3.184 20 30 FGEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@@H](N2CC=CC2)C1 ZINC000266282114 497295459 /nfs/dbraw/zinc/29/54/59/497295459.db2.gz UJEQOOOPMHKYDU-CQSZACIVSA-N 0 3 356.376 3.158 20 30 FGEDHN CC(F)(F)c1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000581066959 505902679 /nfs/dbraw/zinc/90/26/79/505902679.db2.gz OUFFYMFDFHPJII-SFHVURJKSA-N 0 3 360.404 3.394 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000279261167 497385512 /nfs/dbraw/zinc/38/55/12/497385512.db2.gz MFVNMMQFSGXMIA-BMGDILEWSA-N 0 3 359.857 3.087 20 30 FGEDHN CN(CCCSCC#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000266787908 497419490 /nfs/dbraw/zinc/41/94/90/497419490.db2.gz YZFQPBXHFFBUMM-CYBMUJFWSA-N 0 3 362.417 3.024 20 30 FGEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000271704456 497423633 /nfs/dbraw/zinc/42/36/33/497423633.db2.gz UPWIMFQPBDJHGG-AWEZNQCLSA-N 0 3 352.394 3.454 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(OCC(F)F)c2)cc1 ZINC000279404056 497429398 /nfs/dbraw/zinc/42/93/98/497429398.db2.gz VJLXQILXAXTCOW-KRWDZBQOSA-N 0 3 369.371 3.201 20 30 FGEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000279412943 497432877 /nfs/dbraw/zinc/43/28/77/497432877.db2.gz FBJVPRWRDIQGCV-HBGVWJBISA-N 0 3 363.461 3.025 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H]1CCCC[C@H]1O ZINC000245526309 497441168 /nfs/dbraw/zinc/44/11/68/497441168.db2.gz ALVRVXBZJGZKFN-LZLYRXPVSA-N 0 3 350.528 3.134 20 30 FGEDHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)nc1 ZINC000266922857 497446737 /nfs/dbraw/zinc/44/67/37/497446737.db2.gz MQXUINQIRWPZSA-GOSISDBHSA-N 0 3 364.449 3.143 20 30 FGEDHN C=CCc1cc(CN2CCNC[C@H]2c2ccccc2OC)cc(OC)c1O ZINC000261773472 497447960 /nfs/dbraw/zinc/44/79/60/497447960.db2.gz SLSPFQCUPXLWJB-IBGZPJMESA-N 0 3 368.477 3.284 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000575039909 505909463 /nfs/dbraw/zinc/90/94/63/505909463.db2.gz FPFLOXUDCAYQPY-HNAYVOBHSA-N 0 3 372.852 3.455 20 30 FGEDHN C[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271911811 497486181 /nfs/dbraw/zinc/48/61/81/497486181.db2.gz FCHNMZFTMIRRDG-KRWDZBQOSA-N 0 3 366.484 3.296 20 30 FGEDHN Cc1cc(C(F)(F)F)ccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000575053256 505910927 /nfs/dbraw/zinc/91/09/27/505910927.db2.gz DPEVOTZNLRQGSF-KRWDZBQOSA-N 0 3 364.367 3.415 20 30 FGEDHN CN(c1ccc(Cl)c(C#N)n1)C1CCN(CCc2ccccn2)CC1 ZINC000267246081 497509512 /nfs/dbraw/zinc/50/95/12/497509512.db2.gz SXDSMUGZVSSCCX-UHFFFAOYSA-N 0 3 355.873 3.145 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000279875219 497573338 /nfs/dbraw/zinc/57/33/38/497573338.db2.gz CFQCYYONZJOXIP-VQIMIIECSA-N 0 3 363.392 3.410 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)c(OC)c1 ZINC000245982315 497589179 /nfs/dbraw/zinc/58/91/79/497589179.db2.gz HBCIEEWOPBDYPA-VQTJNVASSA-N 0 3 352.434 3.446 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272460485 497634331 /nfs/dbraw/zinc/63/43/31/497634331.db2.gz QOZWQNFHMSZLKD-BFYDXBDKSA-N 0 3 358.511 3.496 20 30 FGEDHN N#CC(C(=O)c1cccc(NC(=O)NC2CC2)c1)c1cnc2ccccc2n1 ZINC000190935512 497651872 /nfs/dbraw/zinc/65/18/72/497651872.db2.gz GUAHCILRTLYRNF-MRXNPFEDSA-N 0 3 371.400 3.404 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000268154446 497688219 /nfs/dbraw/zinc/68/82/19/497688219.db2.gz FYSRAVGVEJGEID-IJXRJRJASA-N 0 3 369.509 3.342 20 30 FGEDHN COc1cccc(C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280273919 497705210 /nfs/dbraw/zinc/70/52/10/497705210.db2.gz YLLYKIGONDQAJA-SFHVURJKSA-N 0 3 361.445 3.343 20 30 FGEDHN CC[C@@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000272808590 497735314 /nfs/dbraw/zinc/73/53/14/497735314.db2.gz VCEPDWZWPTYMPQ-YLJYHZDGSA-N 0 3 357.498 3.044 20 30 FGEDHN Cc1cccc(CC2(O)CCN(Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000280566668 497790595 /nfs/dbraw/zinc/79/05/95/497790595.db2.gz RQXNHZSDXQFMAE-UHFFFAOYSA-N 0 3 350.462 3.467 20 30 FGEDHN COc1ccc(CNC[C@@H](O)CCc2ccccc2)cc1OCCCC#N ZINC000273078987 497795784 /nfs/dbraw/zinc/79/57/84/497795784.db2.gz IRIHSZCSIPIVIV-FQEVSTJZSA-N 0 3 368.477 3.461 20 30 FGEDHN CCN(CC)c1ccc(/C=N/CC(=O)N2CCc3ccccc3C2)c(O)c1 ZINC000263681013 497808277 /nfs/dbraw/zinc/80/82/77/497808277.db2.gz OWKLLJOZSQPOBY-OEAKJJBVSA-N 0 3 365.477 3.242 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000284565798 497831013 /nfs/dbraw/zinc/83/10/13/497831013.db2.gz HQAQKAZTWUMBME-YWZLYKJASA-N 0 3 366.465 3.230 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000329602206 497842009 /nfs/dbraw/zinc/84/20/09/497842009.db2.gz KVRDXCVFLUGWAS-XLIONFOSSA-N 0 3 371.525 3.459 20 30 FGEDHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCC2(CCOCC2)[C@@H]1C ZINC000329668343 497862869 /nfs/dbraw/zinc/86/28/69/497862869.db2.gz LTHBYCSPYJKMJM-IXDOHACOSA-N 0 3 374.481 3.062 20 30 FGEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000329704382 497875170 /nfs/dbraw/zinc/87/51/70/497875170.db2.gz JKKYQKLFMSQCLH-OIISXLGYSA-N 0 3 350.507 3.064 20 30 FGEDHN C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)C1=CCN(C)CC1 ZINC000329757708 497891159 /nfs/dbraw/zinc/89/11/59/497891159.db2.gz ZNBLNARKFMYNLW-WNHJNPCNSA-N 0 3 369.513 3.221 20 30 FGEDHN CC1=C(Br)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280843065 497921009 /nfs/dbraw/zinc/92/10/09/497921009.db2.gz QOEZSMHUWFMPRC-OAHLLOKOSA-N 0 3 358.239 3.142 20 30 FGEDHN CCO[C@@H]1C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C12CCCCC2 ZINC000329889927 497941050 /nfs/dbraw/zinc/94/10/50/497941050.db2.gz FIWIBIMCCXPAFC-YESZJQIVSA-N 0 3 360.502 3.077 20 30 FGEDHN C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CC[C@H]1c1ccccc1 ZINC000329898920 497944243 /nfs/dbraw/zinc/94/42/43/497944243.db2.gz MPQFOYMADJVZLM-ZIFCJYIRSA-N 0 3 352.482 3.485 20 30 FGEDHN CC1(C)CN(C2(CNC(=O)CC3(O)CCCC3)CCCCC2)CCO1 ZINC000329896695 497944585 /nfs/dbraw/zinc/94/45/85/497944585.db2.gz KZKSVKKLJYECTD-UHFFFAOYSA-N 0 3 352.519 3.452 20 30 FGEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000285017353 497971199 /nfs/dbraw/zinc/97/11/99/497971199.db2.gz GSWPENDBTVZXAS-AEFFLSMTSA-N 0 3 366.461 3.255 20 30 FGEDHN N#Cc1ccc([C@H](O)CN[C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000285024695 497972351 /nfs/dbraw/zinc/97/23/51/497972351.db2.gz ZURFPMYCCAOFHB-MSOLQXFVSA-N 0 3 372.266 3.490 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(CC#N)cc2)CN1Cc1ccccc1 ZINC000578527023 505961050 /nfs/dbraw/zinc/96/10/50/505961050.db2.gz WIFWZENRPNNSLA-LAUBAEHRSA-N 0 3 362.477 3.215 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000289115012 498021817 /nfs/dbraw/zinc/02/18/17/498021817.db2.gz WPNARLBCRFHSIM-UHFFFAOYSA-N 0 3 356.800 3.268 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1 ZINC000296412390 498033679 /nfs/dbraw/zinc/03/36/79/498033679.db2.gz VGOFSGYSZKXPFF-BHIYHBOVSA-N 0 3 373.884 3.134 20 30 FGEDHN CC(C(=O)NC1(c2ccccc2)CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330148887 498040043 /nfs/dbraw/zinc/04/00/43/498040043.db2.gz JTRDHXCHXRIJBC-OAHLLOKOSA-N 0 3 365.495 3.395 20 30 FGEDHN CC[C@](C)(NC(=O)C(C)S(=O)(=O)C1CCOCC1)c1nc(C)cs1 ZINC000330148121 498040868 /nfs/dbraw/zinc/04/08/68/498040868.db2.gz JCNQUKJVKKTKDS-LRDDRELGSA-N 0 3 374.528 3.016 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000281201755 498053831 /nfs/dbraw/zinc/05/38/31/498053831.db2.gz YENQYRRISKRZIY-VQIMIIECSA-N 0 3 361.486 3.038 20 30 FGEDHN COc1cc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1C#N ZINC000569627747 505979177 /nfs/dbraw/zinc/97/91/77/505979177.db2.gz UTZCSSAKGVEKDN-FQEVSTJZSA-N 0 3 352.434 3.237 20 30 FGEDHN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000330341244 498111682 /nfs/dbraw/zinc/11/16/82/498111682.db2.gz ZAJMIGMJDMHNNE-GOSISDBHSA-N 0 3 360.483 3.186 20 30 FGEDHN CCN1CCC[C@H](NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C1 ZINC000330411749 498128768 /nfs/dbraw/zinc/12/87/68/498128768.db2.gz SBEVSABPTRIMAX-ZDUSSCGKSA-N 0 3 352.866 3.236 20 30 FGEDHN CN1CCC[C@]2(CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)C1 ZINC000296643133 498134134 /nfs/dbraw/zinc/13/41/34/498134134.db2.gz ZYNRJMPIDAQYML-SFHVURJKSA-N 0 3 364.396 3.109 20 30 FGEDHN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000330478645 498139756 /nfs/dbraw/zinc/13/97/56/498139756.db2.gz LDIYZNONLHENGH-LLVKDONJSA-N 0 3 370.247 3.455 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1C(F)F ZINC000330502456 498142716 /nfs/dbraw/zinc/14/27/16/498142716.db2.gz WWUMXSMDRJRHRO-CHWSQXEVSA-N 0 3 357.449 3.437 20 30 FGEDHN N#Cc1cnc2ccc(Cl)cc2c1N1CCC(CN2CCOCC2)CC1 ZINC000301517525 498143746 /nfs/dbraw/zinc/14/37/46/498143746.db2.gz KEWQJLQIJDYODZ-UHFFFAOYSA-N 0 3 370.884 3.308 20 30 FGEDHN CCOC(=O)c1cc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c(F)cc1C ZINC000330577520 498154284 /nfs/dbraw/zinc/15/42/84/498154284.db2.gz RULRIIRPBWCCFC-KBPBESRZSA-N 0 3 365.449 3.271 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000581457838 505992593 /nfs/dbraw/zinc/99/25/93/505992593.db2.gz OOJFCGGETNPHIZ-KFKAGJAMSA-N 0 3 363.933 3.488 20 30 FGEDHN Cc1cccc(CN2CCC(Nc3nccc(C#N)c3[N+](=O)[O-])CC2)c1 ZINC000301627518 498195120 /nfs/dbraw/zinc/19/51/20/498195120.db2.gz HVERWJMQCFRQRB-UHFFFAOYSA-N 0 3 351.410 3.246 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000364898775 498198405 /nfs/dbraw/zinc/19/84/05/498198405.db2.gz WTQNFCUONNYEIZ-LJQANCHMSA-N 0 3 371.868 3.431 20 30 FGEDHN CN1CCN(C[C@@H]2CCCN(c3ccc(C#N)cc3C(F)(F)F)C2)CC1 ZINC000364901113 498199988 /nfs/dbraw/zinc/19/99/88/498199988.db2.gz JHNIKUMEIXYFQQ-INIZCTEOSA-N 0 3 366.431 3.041 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000292999403 498229167 /nfs/dbraw/zinc/22/91/67/498229167.db2.gz OSOYNKAUBIWXFQ-OAQYLSRUSA-N 0 3 373.460 3.146 20 30 FGEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000330983156 498230362 /nfs/dbraw/zinc/23/03/62/498230362.db2.gz KFZVFPJNLDKLRF-ORAYPTAESA-N 0 3 363.889 3.317 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000572574728 506001009 /nfs/dbraw/zinc/00/10/09/506001009.db2.gz KOBZUUCXXGKYAB-IRXDYDNUSA-N 0 3 365.399 3.469 20 30 FGEDHN Cc1nc(CC(C)C)c(NC(=O)NC[C@@]2(N(C)C)CCSC2)s1 ZINC000331031536 498239537 /nfs/dbraw/zinc/23/95/37/498239537.db2.gz ZXKFJPVJYSSJGB-INIZCTEOSA-N 0 3 356.561 3.413 20 30 FGEDHN C[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CCN(C2CCC2)C1 ZINC000296934728 498256857 /nfs/dbraw/zinc/25/68/57/498256857.db2.gz QHRGRQCVNJLBHK-MRXNPFEDSA-N 0 3 371.485 3.102 20 30 FGEDHN CN(C)CCN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)c(F)c1 ZINC000581516122 506005439 /nfs/dbraw/zinc/00/54/39/506005439.db2.gz XUWKEDOYRKQNAV-UHFFFAOYSA-N 0 3 369.419 3.048 20 30 FGEDHN CCN1CCN([C@H](C)CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000572597199 506008149 /nfs/dbraw/zinc/00/81/49/506008149.db2.gz BXYNJMVBJROREP-CQSZACIVSA-N 0 3 357.889 3.198 20 30 FGEDHN CC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c(Cl)c1 ZINC000331229470 498279673 /nfs/dbraw/zinc/27/96/73/498279673.db2.gz COUHAKZBPXYJKE-SMDDNHRTSA-N 0 3 352.866 3.258 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)N1C ZINC000293292375 498334424 /nfs/dbraw/zinc/33/44/24/498334424.db2.gz DHZHZICZRMELMP-GASCZTMLSA-N 0 3 374.554 3.242 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1ccco1 ZINC000572656162 506022209 /nfs/dbraw/zinc/02/22/09/506022209.db2.gz SRXIMQYTCWQBTR-BBRMVZONSA-N 0 3 356.426 3.411 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000286473468 498409053 /nfs/dbraw/zinc/40/90/53/498409053.db2.gz IUURJMSYBJCHTL-LBPRGKRZSA-N 0 3 367.262 3.111 20 30 FGEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000365333772 498410872 /nfs/dbraw/zinc/41/08/72/498410872.db2.gz HFSRDLCGXKXOIJ-LSTHTHJFSA-N 0 3 373.497 3.262 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302682271 498531885 /nfs/dbraw/zinc/53/18/85/498531885.db2.gz SJHVMXLTBXUAPZ-AWEZNQCLSA-N 0 3 354.420 3.263 20 30 FGEDHN C[C@]1(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCCN1Cc1ccccc1 ZINC000581709479 506050158 /nfs/dbraw/zinc/05/01/58/506050158.db2.gz STEMOTIBQSNKPA-HFSMHLIXSA-N 0 3 354.498 3.423 20 30 FGEDHN CC1CCC(N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CC1 ZINC000332069791 498550799 /nfs/dbraw/zinc/55/07/99/498550799.db2.gz UVTMFUQHXFMSAL-UHFFFAOYSA-N 0 3 368.525 3.130 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1ccccc1SCc1csc(C)n1 ZINC000293993726 498555463 /nfs/dbraw/zinc/55/54/63/498555463.db2.gz ODJQPADTSYEIKN-UHFFFAOYSA-N 0 3 373.547 3.429 20 30 FGEDHN Cc1nn(C)cc1[C@H]1CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000362812201 498559013 /nfs/dbraw/zinc/55/90/13/498559013.db2.gz AVCPPIYCKIOBCK-GOSISDBHSA-N 0 3 371.872 3.419 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3c4ccccc4CC34CCOCC4)n2c1 ZINC000365669481 498588857 /nfs/dbraw/zinc/58/88/57/498588857.db2.gz DCNYQYHDZUXPTP-OAQYLSRUSA-N 0 3 358.445 3.390 20 30 FGEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000569973665 506059527 /nfs/dbraw/zinc/05/95/27/506059527.db2.gz LGASGIUXENCTNS-IFXJQAMLSA-N 0 3 352.413 3.482 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2)CC1 ZINC000332396924 498675320 /nfs/dbraw/zinc/67/53/20/498675320.db2.gz QAMCMUYUQHQJJM-HXUWFJFHSA-N 0 3 368.525 3.371 20 30 FGEDHN COc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N2CCCC2)cc1 ZINC000298262811 498713930 /nfs/dbraw/zinc/71/39/30/498713930.db2.gz AEQDBWMMVRQEDB-XKGZKEIXSA-N 0 3 370.497 3.214 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000298284916 498721128 /nfs/dbraw/zinc/72/11/28/498721128.db2.gz FFHAONVYWRTBKX-QGZVFWFLSA-N 0 3 361.555 3.211 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000287354133 498728131 /nfs/dbraw/zinc/72/81/31/498728131.db2.gz MTBPAOMEFDYMPS-UZLBHIALSA-N 0 3 366.465 3.080 20 30 FGEDHN Cc1cc([C@@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n[nH]1 ZINC000283041495 498756541 /nfs/dbraw/zinc/75/65/41/498756541.db2.gz OAKMYSFTUVHZSM-GOSISDBHSA-N 0 3 360.465 3.370 20 30 FGEDHN Cc1cc([C@@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)[nH]n1 ZINC000283041495 498756550 /nfs/dbraw/zinc/75/65/50/498756550.db2.gz OAKMYSFTUVHZSM-GOSISDBHSA-N 0 3 360.465 3.370 20 30 FGEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@@H](C)C1 ZINC000570101829 506091411 /nfs/dbraw/zinc/09/14/11/506091411.db2.gz BNJFRFUNGVFKMH-KHYOSLBOSA-N 0 3 357.473 3.164 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@@H](C)C1 ZINC000298596924 498824324 /nfs/dbraw/zinc/82/43/24/498824324.db2.gz SDLPGHJJSRWOGJ-CABCVRRESA-N 0 3 374.554 3.099 20 30 FGEDHN CCO[C@@H]1C[C@H](NCC(=O)N[C@H]2CCOc3ccccc32)C12CCOCC2 ZINC000328647764 498888828 /nfs/dbraw/zinc/88/88/28/498888828.db2.gz HRZKUVXBUIVXOW-YTQUADARSA-N 0 3 374.481 3.031 20 30 FGEDHN Cc1nc2cccc(C(=O)NCC3(CN4CCOCC4)CCCCC3)c2[nH]1 ZINC000328719002 498914180 /nfs/dbraw/zinc/91/41/80/498914180.db2.gz VGXSSIAICWMXTD-UHFFFAOYSA-N 0 3 370.497 3.459 20 30 FGEDHN O=C(NCCN1CCC2(CCCCC2)CC1)c1cnc2nccnc2c1 ZINC000328724414 498916227 /nfs/dbraw/zinc/91/62/27/498916227.db2.gz STTONYGZMRMGPT-UHFFFAOYSA-N 0 3 353.470 3.376 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291420849 498932998 /nfs/dbraw/zinc/93/29/98/498932998.db2.gz DEYWURHUXQNNPH-UHFFFAOYSA-N 0 3 358.225 3.282 20 30 FGEDHN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C12CCCN1CCC2 ZINC000328797585 498941610 /nfs/dbraw/zinc/94/16/10/498941610.db2.gz VZXMKOWPSCUQKE-OAHLLOKOSA-N 0 3 365.836 3.169 20 30 FGEDHN CCN1CCC(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)CC1 ZINC000328885403 498973571 /nfs/dbraw/zinc/97/35/71/498973571.db2.gz NKAKJSXGBWIOIT-UHFFFAOYSA-N 0 3 371.510 3.474 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000299169971 498986128 /nfs/dbraw/zinc/98/61/28/498986128.db2.gz WIFLJTIZRSUVDB-MRXNPFEDSA-N 0 3 358.482 3.006 20 30 FGEDHN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000328921040 498986454 /nfs/dbraw/zinc/98/64/54/498986454.db2.gz BKGJBZIYRQXJCY-BEFAXECRSA-N 0 3 368.481 3.149 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000579226195 506123786 /nfs/dbraw/zinc/12/37/86/506123786.db2.gz TWUFRHPGTQOXMZ-ZBEGNZNMSA-N 0 3 353.253 3.255 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3cncc3C2)CCN1Cc1ccccc1 ZINC000328974049 499004275 /nfs/dbraw/zinc/00/42/75/499004275.db2.gz VUKXXBAUXFCJNV-NZSAHSFTSA-N 0 3 352.482 3.455 20 30 FGEDHN C[C@H](NC(=O)N1CCCC12CCN(C)CC2)c1ccccc1-n1cccn1 ZINC000329067784 499032519 /nfs/dbraw/zinc/03/25/19/499032519.db2.gz MCVYEYIJPMKMSK-KRWDZBQOSA-N 0 3 367.497 3.408 20 30 FGEDHN CN1CCC2(CCCN2C(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000329076213 499034722 /nfs/dbraw/zinc/03/47/22/499034722.db2.gz PXTUPEKNKJBXQA-UHFFFAOYSA-N 0 3 370.497 3.128 20 30 FGEDHN C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1ncc(Br)cn1 ZINC000329112306 499045524 /nfs/dbraw/zinc/04/55/24/499045524.db2.gz KOIHPWVSIWDDSP-GXFFZTMASA-N 0 3 353.264 3.131 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329124385 499049391 /nfs/dbraw/zinc/04/93/91/499049391.db2.gz SFPLBIWADGFGKW-HLLBOEOZSA-N 0 3 367.559 3.155 20 30 FGEDHN CN1CCN(C[C@@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)C2)CC1 ZINC000363945983 499062910 /nfs/dbraw/zinc/06/29/10/499062910.db2.gz CTCACIGEMDWBAY-HNNXBMFYSA-N 0 3 366.431 3.041 20 30 FGEDHN CCOC(=O)c1cnn(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000295665071 499075754 /nfs/dbraw/zinc/07/57/54/499075754.db2.gz QVVDOKJKSYMQCF-OAHLLOKOSA-N 0 3 352.438 3.330 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)c(C#N)c1C ZINC000284385583 499099235 /nfs/dbraw/zinc/09/92/35/499099235.db2.gz VHHOQZPNEYYGLC-PKOBYXMFSA-N 0 3 368.506 3.210 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329328570 499100889 /nfs/dbraw/zinc/10/08/89/499100889.db2.gz UYUOJDMTADASQU-QUCCMNQESA-N 0 3 355.482 3.048 20 30 FGEDHN C#CCCOc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1 ZINC000284409746 499103512 /nfs/dbraw/zinc/10/35/12/499103512.db2.gz CWPZULMXXIWOIH-FPOVZHCZSA-N 0 3 353.466 3.486 20 30 FGEDHN CSCc1cccc(CNC[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000576340356 506134896 /nfs/dbraw/zinc/13/48/96/506134896.db2.gz SAUAICGJTXBZRZ-IBGZPJMESA-N 0 3 356.491 3.145 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)no1 ZINC000329391828 499113916 /nfs/dbraw/zinc/11/39/16/499113916.db2.gz RVXDBGQAAIHWFZ-ROUUACIJSA-N 0 3 369.469 3.094 20 30 FGEDHN CN1CC[C@H](NCc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(F)c(F)c1 ZINC000366935564 499119031 /nfs/dbraw/zinc/11/90/31/499119031.db2.gz UBSHBRMSNJYJAE-ICSRJNTNSA-N 0 3 367.403 3.019 20 30 FGEDHN CN1CC[C@@]2(CCN(C(=O)C3CCC(NC(=O)C4CCCC4)CC3)C2)C1 ZINC000329428160 499120193 /nfs/dbraw/zinc/12/01/93/499120193.db2.gz GXZZJCWSXJPRIR-WIXQSORDSA-N 0 3 361.530 3.246 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000329447732 499123060 /nfs/dbraw/zinc/12/30/60/499123060.db2.gz LBOPYQWNKVRHKU-WOJBJXKFSA-N 0 3 371.525 3.299 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)[C@@H]2C1 ZINC000329461713 499124911 /nfs/dbraw/zinc/12/49/11/499124911.db2.gz SUUNQMUKQXNPOZ-KBXCAEBGSA-N 0 3 372.494 3.294 20 30 FGEDHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329463807 499125106 /nfs/dbraw/zinc/12/51/06/499125106.db2.gz UNWARJGRDWCHND-GUDVDZBRSA-N 0 3 370.497 3.006 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2NCc2ccncc2OCC(F)F)O1 ZINC000367036891 499137575 /nfs/dbraw/zinc/13/75/75/499137575.db2.gz PSNQCKCJNLJHLT-WCVJEAGWSA-N 0 3 351.397 3.055 20 30 FGEDHN N#CCCCOc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000367775972 499232734 /nfs/dbraw/zinc/23/27/34/499232734.db2.gz CZXZHYDTCCQCFH-HXUWFJFHSA-N 0 3 362.433 3.289 20 30 FGEDHN CN1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000368061366 499260587 /nfs/dbraw/zinc/26/05/87/499260587.db2.gz IKNJZTAGYCOCER-WBVHZDCISA-N 0 3 374.897 3.247 20 30 FGEDHN N#CCC[C@H](NC(=O)C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000370919883 499270605 /nfs/dbraw/zinc/27/06/05/499270605.db2.gz KNJFBZCXRJHEMI-NRFANRHFSA-N 0 3 362.477 3.455 20 30 FGEDHN N#Cc1ccc(C2=CCN(CCC(=O)Nc3cc(N)ccc3F)CC2)cc1 ZINC000371333756 499311461 /nfs/dbraw/zinc/31/14/61/499311461.db2.gz BQTRHZGFHWEDGY-UHFFFAOYSA-N 0 3 364.424 3.397 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000371395076 499320134 /nfs/dbraw/zinc/32/01/34/499320134.db2.gz DDXHLYKQIVVEIR-UHFFFAOYSA-N 0 3 369.490 3.396 20 30 FGEDHN CCCCCCCCCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000371512110 499336654 /nfs/dbraw/zinc/33/66/54/499336654.db2.gz OGENITRJVBUJTE-SFHVURJKSA-N 0 3 351.535 3.068 20 30 FGEDHN Cc1ncc(CN2CC[C@@H](NCc3ccc(F)cc3C#N)[C@H](C)C2)s1 ZINC000368965603 499351236 /nfs/dbraw/zinc/35/12/36/499351236.db2.gz LGFDUBXIZSPBNK-BFUOFWGJSA-N 0 3 358.486 3.463 20 30 FGEDHN Cc1ncc(CN2CC[C@@H](NCc3ccc(F)cc3C#N)[C@@H](C)C2)s1 ZINC000368965605 499351257 /nfs/dbraw/zinc/35/12/57/499351257.db2.gz LGFDUBXIZSPBNK-ORAYPTAESA-N 0 3 358.486 3.463 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000369133480 499369066 /nfs/dbraw/zinc/36/90/66/499369066.db2.gz DACDPGMKSVOKSZ-XLIONFOSSA-N 0 3 363.392 3.060 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(CCOCC2)[C@@H]1C ZINC000371834398 499369980 /nfs/dbraw/zinc/36/99/80/499369980.db2.gz JOQYJNCMHVJNTE-MSOLQXFVSA-N 0 3 355.482 3.213 20 30 FGEDHN C=CCN(C(=O)NCc1nc(C)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372189066 499406866 /nfs/dbraw/zinc/40/68/66/499406866.db2.gz VLAMJAQBFIFUSQ-SFHVURJKSA-N 0 3 370.522 3.424 20 30 FGEDHN N#C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]12C(=O)Nc1ccccc12 ZINC000372225153 499410466 /nfs/dbraw/zinc/41/04/66/499410466.db2.gz DEBWGQTVLHUDCY-HJPURHCSSA-N 0 3 369.424 3.391 20 30 FGEDHN N#C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]12C(=O)Nc1ccccc12 ZINC000372225153 499410467 /nfs/dbraw/zinc/41/04/67/499410467.db2.gz DEBWGQTVLHUDCY-HJPURHCSSA-N 0 3 369.424 3.391 20 30 FGEDHN N#Cc1c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc2ccccn12 ZINC000369532516 499413505 /nfs/dbraw/zinc/41/35/05/499413505.db2.gz PBXGYJVHSXIRPB-UHFFFAOYSA-N 0 3 363.387 3.423 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000369564728 499418552 /nfs/dbraw/zinc/41/85/52/499418552.db2.gz NMAQKCNNNKVTAL-ZSZQSSIHSA-N 0 3 369.490 3.196 20 30 FGEDHN CN1CC[C@H](CNC(=O)/C=C/c2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000369568816 499419698 /nfs/dbraw/zinc/41/96/98/499419698.db2.gz MLAOXUXJEIKEMQ-JCTQASJRSA-N 0 3 351.475 3.442 20 30 FGEDHN Cc1cc(C)nc(C2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000373583480 499478084 /nfs/dbraw/zinc/47/80/84/499478084.db2.gz ZFJBNMSEKHRWHX-FQEVSTJZSA-N 0 3 373.460 3.054 20 30 FGEDHN CC(=O)NCc1ccc([C@H]2CCCN2CCOc2cccc(C#N)c2)o1 ZINC000375141031 499488848 /nfs/dbraw/zinc/48/88/48/499488848.db2.gz NNVZTMBIRDCABY-LJQANCHMSA-N 0 3 353.422 3.003 20 30 FGEDHN N#Cc1cccc(OCCN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000378408965 499513464 /nfs/dbraw/zinc/51/34/64/499513464.db2.gz AXSKYOXWKQFMHX-HXUWFJFHSA-N 0 3 367.493 3.052 20 30 FGEDHN C=CCc1cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc(OC)c1O ZINC000375403675 499514762 /nfs/dbraw/zinc/51/47/62/499514762.db2.gz MJPUAVZPSQTTFA-MRXNPFEDSA-N 0 3 355.438 3.379 20 30 FGEDHN COc1ccc2c(c1)[C@@H](C)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000375664504 499542645 /nfs/dbraw/zinc/54/26/45/499542645.db2.gz NBGAVYNGABMGLO-OXJNMPFZSA-N 0 3 373.456 3.438 20 30 FGEDHN COc1ccc2c(c1)[C@@H](C)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000375664502 499542658 /nfs/dbraw/zinc/54/26/58/499542658.db2.gz NBGAVYNGABMGLO-JXFKEZNVSA-N 0 3 373.456 3.438 20 30 FGEDHN C[C@H]1CCN(C(=O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000383121233 499546456 /nfs/dbraw/zinc/54/64/56/499546456.db2.gz YPBMMMCXHIJHSV-SFHVURJKSA-N 0 3 363.461 3.060 20 30 FGEDHN Cc1cnc([C@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)s1 ZINC000376091821 499582441 /nfs/dbraw/zinc/58/24/41/499582441.db2.gz CVHOJCAVLKJHRC-ROUUACIJSA-N 0 3 364.474 3.412 20 30 FGEDHN CCN([C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000409449897 499597568 /nfs/dbraw/zinc/59/75/68/499597568.db2.gz AABMBAIZMWCYKD-XJKSGUPXSA-N 0 3 353.388 3.494 20 30 FGEDHN C=CCCCCCCNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000377047028 499656789 /nfs/dbraw/zinc/65/67/89/499656789.db2.gz OLPIXXPAWFUICP-UHFFFAOYSA-N 0 3 364.578 3.182 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000377260668 499674910 /nfs/dbraw/zinc/67/49/10/499674910.db2.gz FFWFBQVJXBHEBU-LPHOPBHVSA-N 0 3 354.429 3.443 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000377260669 499674939 /nfs/dbraw/zinc/67/49/39/499674939.db2.gz FFWFBQVJXBHEBU-QFBILLFUSA-N 0 3 354.429 3.443 20 30 FGEDHN CCc1nc(CN2CCC[C@H](N(C)[C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000377716677 499724587 /nfs/dbraw/zinc/72/45/87/499724587.db2.gz GNTDSLZCGTZXAE-QAPCUYQASA-N 0 3 353.470 3.161 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn2ccc(Br)cc2n1 ZINC000576436507 506157496 /nfs/dbraw/zinc/15/74/96/506157496.db2.gz VLNSSBAABGSEJW-BLLLJJGKSA-N 0 3 350.260 3.168 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)cc1OC ZINC000414550041 499806973 /nfs/dbraw/zinc/80/69/73/499806973.db2.gz MKTDESJMJKZGTQ-SFHVURJKSA-N 0 3 358.482 3.237 20 30 FGEDHN CC(C)(C(=O)N1CCCN(CC2CCC2)CC1)c1cc(F)cc(C#N)c1 ZINC000412310582 499843681 /nfs/dbraw/zinc/84/36/81/499843681.db2.gz DKGQQCUPCSIZNU-UHFFFAOYSA-N 0 3 357.473 3.309 20 30 FGEDHN C[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)N1[C@H](C)CC[C@@H]1C ZINC000413121989 499916495 /nfs/dbraw/zinc/91/64/95/499916495.db2.gz XQEKAKODSQKUIA-RSUWNVLCSA-N 0 3 364.287 3.391 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000413182064 499923549 /nfs/dbraw/zinc/92/35/49/499923549.db2.gz RRFGUDSFBXDFNB-RBBKRZOGSA-N 0 3 365.452 3.333 20 30 FGEDHN CC(C)OCCN1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413185155 499924156 /nfs/dbraw/zinc/92/41/56/499924156.db2.gz OUUIZQARIIQYBC-UHFFFAOYSA-N 0 3 356.392 3.273 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000413254994 499932846 /nfs/dbraw/zinc/93/28/46/499932846.db2.gz FJPCIOCBKDUYNC-IBGZPJMESA-N 0 3 373.541 3.362 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429020768 499984798 /nfs/dbraw/zinc/98/47/98/499984798.db2.gz NZOMSXNVMGXVTE-DEXNDLTESA-N 0 3 374.916 3.201 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C1CCC1)C1CCC1 ZINC000429139471 500011791 /nfs/dbraw/zinc/01/17/91/500011791.db2.gz XTKANYZTCNDAEZ-UHFFFAOYSA-N 0 3 372.513 3.359 20 30 FGEDHN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)s2)c(OC)c1 ZINC000421346693 500022467 /nfs/dbraw/zinc/02/24/67/500022467.db2.gz AEHMYWOUETUFPJ-GFCCVEGCSA-N 0 3 359.451 3.144 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2Cc3cccc(O)c3C2)c1C ZINC000429303945 500048066 /nfs/dbraw/zinc/04/80/66/500048066.db2.gz XEHNXNHCUWKOAG-GOSISDBHSA-N 0 3 363.461 3.013 20 30 FGEDHN COc1cccc(CN(CCN(C)C)c2ncc3c(c2C#N)CCC3)c1 ZINC000425260551 500059525 /nfs/dbraw/zinc/05/95/25/500059525.db2.gz XNCBHHPMUSBXPQ-UHFFFAOYSA-N 0 3 350.466 3.019 20 30 FGEDHN N#Cc1cccc([N+](=O)[O-])c1N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000425269281 500061464 /nfs/dbraw/zinc/06/14/64/500061464.db2.gz QMBMPQUFBYQVSJ-RTBURBONSA-N 0 3 362.433 3.425 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000413810913 500064173 /nfs/dbraw/zinc/06/41/73/500064173.db2.gz AMPRNTRNXHZOPU-HXUWFJFHSA-N 0 3 366.509 3.342 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000421704907 500122390 /nfs/dbraw/zinc/12/23/90/500122390.db2.gz QBTZEEGYDWTOCW-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCC1(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CCOCC1 ZINC000425517205 500130574 /nfs/dbraw/zinc/13/05/74/500130574.db2.gz OZPIGFFOFYWYBM-FQEVSTJZSA-N 0 3 356.510 3.482 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(C#N)s1)N(C)C ZINC000422211466 500234702 /nfs/dbraw/zinc/23/47/02/500234702.db2.gz WLMDUODOISNANM-KDOFPFPSSA-N 0 3 356.495 3.419 20 30 FGEDHN COc1cc(CN2CC[C@@H](O)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426161328 500243104 /nfs/dbraw/zinc/24/31/04/500243104.db2.gz NPIXOKCJWVPVQM-OXQOHEQNSA-N 0 3 366.461 3.349 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC1(CC#N)CC1 ZINC000431054553 500329242 /nfs/dbraw/zinc/32/92/42/500329242.db2.gz TUYAEYVZAPSXCG-UHFFFAOYSA-N 0 3 355.486 3.023 20 30 FGEDHN C=CCOc1ccc(Br)cc1N[C@H](C)C[C@@H]1COCCN1 ZINC000423173391 500351062 /nfs/dbraw/zinc/35/10/62/500351062.db2.gz YIUNOVGDGWROQD-TZMCWYRMSA-N 0 3 355.276 3.193 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000419830205 500403698 /nfs/dbraw/zinc/40/36/98/500403698.db2.gz FWHKRZTVUYNWHW-LBPRGKRZSA-N 0 3 357.435 3.458 20 30 FGEDHN C=CCC[C@H]1NC(=O)N(C[C@@H](c2cccs2)N2CCC(C)CC2)C1=O ZINC000419929457 500407860 /nfs/dbraw/zinc/40/78/60/500407860.db2.gz VSBDGBJNGWPFOY-CVEARBPZSA-N 0 3 361.511 3.408 20 30 FGEDHN C=CCCCS(=O)(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000427799976 500434598 /nfs/dbraw/zinc/43/45/98/500434598.db2.gz RJZGFAQBEZNBHT-UHFFFAOYSA-N 0 3 354.541 3.252 20 30 FGEDHN CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424070887 500447089 /nfs/dbraw/zinc/44/70/89/500447089.db2.gz SYUSZJTUUGHTGN-NSHDSACASA-N 0 3 374.666 3.461 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000424099543 500452836 /nfs/dbraw/zinc/45/28/36/500452836.db2.gz MTVQBNBLKBAOAU-LBPRGKRZSA-N 0 3 366.393 3.371 20 30 FGEDHN COc1cc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)ccc1OC1CCCC1 ZINC000424100201 500452909 /nfs/dbraw/zinc/45/29/09/500452909.db2.gz NILOKARTWSJALQ-PBHICJAKSA-N 0 3 359.470 3.215 20 30 FGEDHN COc1cc([C@H](C)NC(=O)[C@H](N)CCCC#N)ccc1OC1CCCC1 ZINC000424100206 500452955 /nfs/dbraw/zinc/45/29/55/500452955.db2.gz NILOKARTWSJALQ-WMLDXEAASA-N 0 3 359.470 3.215 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000424114640 500455757 /nfs/dbraw/zinc/45/57/57/500455757.db2.gz RQMQUWQKWDDVGV-LLVKDONJSA-N 0 3 366.393 3.371 20 30 FGEDHN Cc1nnc(Sc2ccc(NC(=O)[C@H](N)CCCC#N)c(C)c2)s1 ZINC000424113072 500456096 /nfs/dbraw/zinc/45/60/96/500456096.db2.gz LVKFYWMUWBMCLQ-CYBMUJFWSA-N 0 3 361.496 3.266 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000424125574 500457969 /nfs/dbraw/zinc/45/79/69/500457969.db2.gz OCIAYHADOHDVLK-MRXNPFEDSA-N 0 3 359.376 3.394 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)N(C)C)cc1 ZINC000432053818 500461163 /nfs/dbraw/zinc/46/11/63/500461163.db2.gz IEBDFVIBPMUMIM-OAQYLSRUSA-N 0 3 364.493 3.219 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000424173234 500463301 /nfs/dbraw/zinc/46/33/01/500463301.db2.gz OBVXKGCSWPYPFJ-UKRRQHHQSA-N 0 3 369.296 3.100 20 30 FGEDHN C[C@]1(NC(=O)NCc2ccc(C#N)c(F)c2)CCN(Cc2ccccc2)C1 ZINC000570574748 506198461 /nfs/dbraw/zinc/19/84/61/506198461.db2.gz WQKVSRWNGWJPGH-NRFANRHFSA-N 0 3 366.440 3.161 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000420794648 500502842 /nfs/dbraw/zinc/50/28/42/500502842.db2.gz CWUSPKVYHOIDFW-BEFAXECRSA-N 0 3 368.506 3.330 20 30 FGEDHN C=CCC1(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CCOCC1 ZINC000424577796 500520289 /nfs/dbraw/zinc/52/02/89/500520289.db2.gz QCEFINATKSLBJS-UHFFFAOYSA-N 0 3 356.510 3.312 20 30 FGEDHN C=CCC(C)(C)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000432562185 500533064 /nfs/dbraw/zinc/53/30/64/500533064.db2.gz IVBVRHCFLHYWJJ-IRXDYDNUSA-N 0 3 351.535 3.120 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1C ZINC000428641900 500536586 /nfs/dbraw/zinc/53/65/86/500536586.db2.gz FRSRIZUCPMAKDG-AEFFLSMTSA-N 0 3 365.481 3.018 20 30 FGEDHN N#Cc1ccc(O[C@@H]2CCN(CCCOCCc3ccccc3)C2)nc1 ZINC000428772772 500555616 /nfs/dbraw/zinc/55/56/16/500555616.db2.gz NWAKHXUOSKIPII-HXUWFJFHSA-N 0 3 351.450 3.056 20 30 FGEDHN COC(=O)C1(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)CCCCC1 ZINC000433024067 500608689 /nfs/dbraw/zinc/60/86/89/500608689.db2.gz VHZVLGTZXVNUCJ-SFHVURJKSA-N 0 3 371.481 3.003 20 30 FGEDHN CC[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000447529789 500617894 /nfs/dbraw/zinc/61/78/94/500617894.db2.gz MPBKYGWMTBRKGJ-IBGZPJMESA-N 0 3 358.463 3.081 20 30 FGEDHN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433219097 500650221 /nfs/dbraw/zinc/65/02/21/500650221.db2.gz LACMXHHZZJXJSF-LJQANCHMSA-N 0 3 363.461 3.473 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000437712658 500684834 /nfs/dbraw/zinc/68/48/34/500684834.db2.gz DLVGOCOPAUPMOL-CZUORRHYSA-N 0 3 351.853 3.285 20 30 FGEDHN C[C@H]1OCC[C@@]1(O)CN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000447927065 500691148 /nfs/dbraw/zinc/69/11/48/500691148.db2.gz ODLYHKJADIXQJL-XMSQKQJNSA-N 0 3 353.437 3.219 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000437780991 500694217 /nfs/dbraw/zinc/69/42/17/500694217.db2.gz DXMPPMBOMUMBPW-HBMCJLEFSA-N 0 3 371.525 3.177 20 30 FGEDHN C[C@H](Cc1ccccc1F)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000437805701 500699568 /nfs/dbraw/zinc/69/95/68/500699568.db2.gz VFVHDJZARBGASV-FOIQADDNSA-N 0 3 351.425 3.414 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000573553194 506211276 /nfs/dbraw/zinc/21/12/76/506211276.db2.gz XYMYRWBNHMORSB-MDZRGWNJSA-N 0 3 367.497 3.059 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000438195280 500753250 /nfs/dbraw/zinc/75/32/50/500753250.db2.gz BORAGRSKZILECQ-UFYCRDLUSA-N 0 3 359.514 3.132 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](NCc3ccc(C#N)c(C)c3)C2)c1 ZINC000443981840 500786556 /nfs/dbraw/zinc/78/65/56/500786556.db2.gz CMLYYPKNBPNPEI-SFHVURJKSA-N 0 3 351.450 3.252 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000438450811 500786874 /nfs/dbraw/zinc/78/68/74/500786874.db2.gz GKMYSKIWWIDECA-MOPGFXCFSA-N 0 3 351.535 3.121 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000438450814 500787026 /nfs/dbraw/zinc/78/70/26/500787026.db2.gz GKMYSKIWWIDECA-RTBURBONSA-N 0 3 351.535 3.121 20 30 FGEDHN COc1cc(CN2CC[C@H](NCc3ccc(C#N)c(C)c3)C2)cc(OC)c1 ZINC000443993626 500788765 /nfs/dbraw/zinc/78/87/65/500788765.db2.gz MLBCRAXCDVNMCA-FQEVSTJZSA-N 0 3 365.477 3.248 20 30 FGEDHN COC(=O)C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000448789217 500834717 /nfs/dbraw/zinc/83/47/17/500834717.db2.gz YVXNWJNNQMGGDQ-PKOBYXMFSA-N 0 3 368.408 3.319 20 30 FGEDHN COCCN(CCC(=O)Nc1cccc(C#N)c1)CCc1ccccc1 ZINC000434898025 500909760 /nfs/dbraw/zinc/90/97/60/500909760.db2.gz AQQDURARABUOFR-UHFFFAOYSA-N 0 3 351.450 3.078 20 30 FGEDHN CC(C)NC(=O)Nc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602585053 506224186 /nfs/dbraw/zinc/22/41/86/506224186.db2.gz BYBHZWZEAJZJCC-INIZCTEOSA-N 0 3 358.486 3.405 20 30 FGEDHN N#Cc1cccc(C2(C(=O)NC3CCN(CCc4ccccc4)CC3)CC2)c1 ZINC000435039076 500925567 /nfs/dbraw/zinc/92/55/67/500925567.db2.gz ZZYNCSBOLGYDHC-UHFFFAOYSA-N 0 3 373.500 3.413 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000439766635 500935600 /nfs/dbraw/zinc/93/56/00/500935600.db2.gz ADXOAFBPSHTRBY-KRWDZBQOSA-N 0 3 374.488 3.327 20 30 FGEDHN N#CC1CCC([NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)CC1 ZINC000602593821 506225558 /nfs/dbraw/zinc/22/55/58/506225558.db2.gz NUUSJSMUOJHMBG-UHFFFAOYSA-N 0 3 360.259 3.406 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCn3c(cc4c3cccc4Cl)C2)CC1 ZINC000445094492 500943615 /nfs/dbraw/zinc/94/36/15/500943615.db2.gz QGVJPNQIQYKICT-UHFFFAOYSA-N 0 3 372.900 3.470 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)C(C)C ZINC000440216506 500987794 /nfs/dbraw/zinc/98/77/94/500987794.db2.gz OZTBIGCHINVUMK-XUVXKRRUSA-N 0 3 363.546 3.143 20 30 FGEDHN CC1(C)CCc2ccccc2[C@@H](NCC(=O)N(CCC#N)CCC#N)C1 ZINC000440640104 501032839 /nfs/dbraw/zinc/03/28/39/501032839.db2.gz VDENRTHWIWTQOG-IBGZPJMESA-N 0 3 352.482 3.336 20 30 FGEDHN CCN1CCN(Cc2ccc(NCc3ccc(C#N)c(OC)c3)cc2)CC1 ZINC000440814664 501051606 /nfs/dbraw/zinc/05/16/06/501051606.db2.gz PQKUONKEHQLSFI-UHFFFAOYSA-N 0 3 364.493 3.316 20 30 FGEDHN COc1cccc([C@@H](CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)N(C)C)c1 ZINC000596056006 506231715 /nfs/dbraw/zinc/23/17/15/506231715.db2.gz UVNAECZQTHOLOQ-GOSISDBHSA-N 0 3 354.410 3.498 20 30 FGEDHN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000449737766 501071830 /nfs/dbraw/zinc/07/18/30/501071830.db2.gz UHPCEBZERMNWPT-ZDUSSCGKSA-N 0 3 371.412 3.221 20 30 FGEDHN CC[C@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCc2ccccc2C1 ZINC000441034071 501078166 /nfs/dbraw/zinc/07/81/66/501078166.db2.gz LLLPQOFPRFKXHP-WIXQSORDSA-N 0 3 368.525 3.452 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(Nc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450338561 501094596 /nfs/dbraw/zinc/09/45/96/501094596.db2.gz LCIMDFNAIPISBY-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450338560 501094758 /nfs/dbraw/zinc/09/47/58/501094758.db2.gz LCIMDFNAIPISBY-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000453114125 501272379 /nfs/dbraw/zinc/27/23/79/501272379.db2.gz SLMDCZPJOKAFDX-MSOLQXFVSA-N 0 3 355.438 3.270 20 30 FGEDHN C=CCCCN(C)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000455395692 501291269 /nfs/dbraw/zinc/29/12/69/501291269.db2.gz BUXGMYXJPONQSG-UHFFFAOYSA-N 0 3 372.513 3.217 20 30 FGEDHN CC[C@H](NCCn1cc(Br)ccc1=O)c1ccc(C#N)cc1 ZINC000453250213 501299312 /nfs/dbraw/zinc/29/93/12/501299312.db2.gz MMCDLIJOXYEHBX-INIZCTEOSA-N 0 3 360.255 3.223 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C ZINC000451494511 501305811 /nfs/dbraw/zinc/30/58/11/501305811.db2.gz KWVMPLBQARXNDY-JKSUJKDBSA-N 0 3 361.511 3.230 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000451506215 501308745 /nfs/dbraw/zinc/30/87/45/501308745.db2.gz KTUWXMKKOUCWTF-IBGZPJMESA-N 0 3 350.466 3.225 20 30 FGEDHN C=CCn1c(COCc2ccccc2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453429849 501330364 /nfs/dbraw/zinc/33/03/64/501330364.db2.gz CJUGKAZKGXILAZ-IBGZPJMESA-N 0 3 369.513 3.100 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000451600579 501334025 /nfs/dbraw/zinc/33/40/25/501334025.db2.gz RFZWVPLHMQWKKS-JTDSTZFVSA-N 0 3 360.454 3.026 20 30 FGEDHN CCN(CC)[C@@H](CNc1cc(C#N)cnn1)c1ccc(C(F)(F)F)cc1 ZINC000596090816 506251051 /nfs/dbraw/zinc/25/10/51/506251051.db2.gz WKBQWIRTYWMKMX-INIZCTEOSA-N 0 3 363.387 3.284 20 30 FGEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000452018852 501419690 /nfs/dbraw/zinc/41/96/90/501419690.db2.gz RCHGOTSXGBTVLC-MISYRCLQSA-N 0 3 357.498 3.486 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454358088 501522196 /nfs/dbraw/zinc/52/21/96/501522196.db2.gz FXKGAXDIRWVWEM-BEFAXECRSA-N 0 3 366.440 3.332 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000459043256 501582190 /nfs/dbraw/zinc/58/21/90/501582190.db2.gz OTZSXUIQBRMMJZ-UXHICEINSA-N 0 3 357.498 3.026 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000453014383 501601691 /nfs/dbraw/zinc/60/16/91/501601691.db2.gz KKKDBXKEFSKDDS-FPOVZHCZSA-N 0 3 357.494 3.046 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453033931 501605869 /nfs/dbraw/zinc/60/58/69/501605869.db2.gz UJOXMBPKSCWPGA-NRFANRHFSA-N 0 3 357.498 3.328 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@@H](C)C1 ZINC000459459007 501657313 /nfs/dbraw/zinc/65/73/13/501657313.db2.gz HQRGFCBVQPWTJT-ULQDDVLXSA-N 0 3 374.554 3.434 20 30 FGEDHN CC[C@@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463507390 501746132 /nfs/dbraw/zinc/74/61/32/501746132.db2.gz PCOXKRBMKGGWKD-RTWAWAEBSA-N 0 3 371.525 3.434 20 30 FGEDHN CC[C@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000463507391 501746445 /nfs/dbraw/zinc/74/64/45/501746445.db2.gz PCOXKRBMKGGWKD-SFTDATJTSA-N 0 3 371.525 3.434 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)NCC(C)(C)CCC#N)c2)CC1 ZINC000481339015 501748734 /nfs/dbraw/zinc/74/87/34/501748734.db2.gz DVFBZJVGUVNNHD-UHFFFAOYSA-N 0 3 357.502 3.280 20 30 FGEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000481388109 501759467 /nfs/dbraw/zinc/75/94/67/501759467.db2.gz CYIKZFQVPGAZIY-WMLDXEAASA-N 0 3 352.400 3.294 20 30 FGEDHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470832875 501822405 /nfs/dbraw/zinc/82/24/05/501822405.db2.gz UHGNIHBYNGVYBX-PXNSSMCTSA-N 0 3 361.445 3.441 20 30 FGEDHN COc1cccc(C(=O)NCCN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481645583 501840436 /nfs/dbraw/zinc/84/04/36/501840436.db2.gz OIBIKQXORQTFBD-OAQYLSRUSA-N 0 3 363.461 3.354 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H](COC)C1)C(C)C ZINC000467804479 501879270 /nfs/dbraw/zinc/87/92/70/501879270.db2.gz GVITZEOJAMXSDP-RBUKOAKNSA-N 0 3 351.535 3.143 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc2)CC1 ZINC000464159042 501910706 /nfs/dbraw/zinc/91/07/06/501910706.db2.gz QEFVSYBKQJGJEC-OAQYLSRUSA-N 0 3 356.514 3.275 20 30 FGEDHN CCC(CC)[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000471102442 501919500 /nfs/dbraw/zinc/91/95/00/501919500.db2.gz ZBWYOEOKLVKOHK-AQNXPRMDSA-N 0 3 353.466 3.341 20 30 FGEDHN N#CC(C(=O)c1cccc(-n2ccnn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464405936 501980057 /nfs/dbraw/zinc/98/00/57/501980057.db2.gz MRKSRUYHIFCDRM-AWEZNQCLSA-N 0 3 357.295 3.171 20 30 FGEDHN CC(C)CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCN(C)CC1 ZINC000464577349 502032746 /nfs/dbraw/zinc/03/27/46/502032746.db2.gz SREYYUUKQGFFLC-UHFFFAOYSA-N 0 3 366.465 3.406 20 30 FGEDHN COc1ccc(CN2CCC([C@H](C)NC(C)=O)CC2)cc1OCCCC#N ZINC000482504919 502090554 /nfs/dbraw/zinc/09/05/54/502090554.db2.gz NARCNBFLGHTWAC-INIZCTEOSA-N 0 3 373.497 3.114 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000471662698 502101829 /nfs/dbraw/zinc/10/18/29/502101829.db2.gz FARMKOPMYBBSGD-HXUWFJFHSA-N 0 3 364.493 3.100 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000475386818 502156255 /nfs/dbraw/zinc/15/62/55/502156255.db2.gz CERWHEJYWQWMQY-IBGZPJMESA-N 0 3 365.477 3.331 20 30 FGEDHN C[C@H]1[C@H](NC(=O)NCCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000588671279 506299874 /nfs/dbraw/zinc/29/98/74/506299874.db2.gz IJOOBLOAHOSXTB-LAUBAEHRSA-N 0 3 362.477 3.063 20 30 FGEDHN CC[C@@H](CNC(=O)NCC(C)(C)CCC#N)N1CCc2ccccc2C1 ZINC000479311217 502220602 /nfs/dbraw/zinc/22/06/02/502220602.db2.gz KGNPMDZNVQLBKE-IBGZPJMESA-N 0 3 356.514 3.452 20 30 FGEDHN C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCC(C)CC1 ZINC000468922106 502230546 /nfs/dbraw/zinc/23/05/46/502230546.db2.gz IVTFRXZCXLQTBA-OAHLLOKOSA-N 0 3 352.438 3.063 20 30 FGEDHN Cc1nc(NCC2(N3CCCCC3)CCN(C)CC2)c(Cl)cc1C#N ZINC000461964716 502254892 /nfs/dbraw/zinc/25/48/92/502254892.db2.gz KZHKWEAFNSIKCR-UHFFFAOYSA-N 0 3 361.921 3.277 20 30 FGEDHN COc1cc(CN2CC[C@@](C)(O)C2)ccc1OCc1cccc(C#N)c1 ZINC000483056390 502259006 /nfs/dbraw/zinc/25/90/06/502259006.db2.gz KONRTEFGUZDOQZ-OAQYLSRUSA-N 0 3 352.434 3.103 20 30 FGEDHN C[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)(C)C1 ZINC000472266520 502291108 /nfs/dbraw/zinc/29/11/08/502291108.db2.gz XNMOFAROWAERPY-CQSZACIVSA-N 0 3 352.400 3.294 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1ccc2ccccc21 ZINC000486927705 502306403 /nfs/dbraw/zinc/30/64/03/502306403.db2.gz UQTUYIAGEMNKAS-UHFFFAOYSA-N 0 3 360.461 3.103 20 30 FGEDHN CC(C)[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCN1C ZINC000487077378 502351219 /nfs/dbraw/zinc/35/12/19/502351219.db2.gz WQKSUPNIUGKYCW-QGZVFWFLSA-N 0 3 360.408 3.484 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2nc(C)n(C)c2c1)C(C)C ZINC000476029514 502363590 /nfs/dbraw/zinc/36/35/90/502363590.db2.gz FVSWDLAURQLOJV-HXUWFJFHSA-N 0 3 354.498 3.310 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462259559 502370721 /nfs/dbraw/zinc/37/07/21/502370721.db2.gz NOYWYRPYQDSFSH-DNVCBOLYSA-N 0 3 364.449 3.209 20 30 FGEDHN C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)N1CCCCCC1 ZINC000469316944 502373340 /nfs/dbraw/zinc/37/33/40/502373340.db2.gz VLISZSSLFOEDNG-SJLPKXTDSA-N 0 3 372.488 3.047 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000487175388 502380894 /nfs/dbraw/zinc/38/08/94/502380894.db2.gz IAKMUKFYCIIEAO-RDTXWAMCSA-N 0 3 365.905 3.366 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](CSC)C1)C(C)C ZINC000487835667 502543731 /nfs/dbraw/zinc/54/37/31/502543731.db2.gz LVAAUASCDZKGOW-ZWKOTPCHSA-N 0 3 353.576 3.470 20 30 FGEDHN COC(=O)c1ccccc1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000480511269 502587372 /nfs/dbraw/zinc/58/73/72/502587372.db2.gz CFPULVFVUBHAIG-UHFFFAOYSA-N 0 3 363.461 3.100 20 30 FGEDHN CC(C)(C#N)c1ccc(S(=O)(=O)N2CCCc3cccc(CN)c32)cc1 ZINC000599099340 506322715 /nfs/dbraw/zinc/32/27/15/506322715.db2.gz BIMRAMMFBXTMBT-UHFFFAOYSA-N 0 3 369.490 3.088 20 30 FGEDHN C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCCC[C@H]1C ZINC000466596965 502618905 /nfs/dbraw/zinc/61/89/05/502618905.db2.gz MQTNEJUBWRYKOM-HZPDHXFCSA-N 0 3 359.474 3.149 20 30 FGEDHN Cc1cc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)ccc1C#N ZINC000488094802 502625740 /nfs/dbraw/zinc/62/57/40/502625740.db2.gz ANIAHPVCGSYXHA-FQEVSTJZSA-N 0 3 351.494 3.481 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2Cc3ccccc3[C@H]2C)cc1 ZINC000481061521 502744763 /nfs/dbraw/zinc/74/47/63/502744763.db2.gz RQGQLWUCEXWHGM-UONOGXRCSA-N 0 3 369.446 3.481 20 30 FGEDHN CN(C)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000473908469 502745003 /nfs/dbraw/zinc/74/50/03/502745003.db2.gz WCTNROUTLZWUAE-INIZCTEOSA-N 0 3 369.918 3.000 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000477459708 502779120 /nfs/dbraw/zinc/77/91/20/502779120.db2.gz ZXOVYKVSGFKLAD-IBGZPJMESA-N 0 3 357.479 3.072 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC(C)(C)CCC#N ZINC000513128990 502858621 /nfs/dbraw/zinc/85/86/21/502858621.db2.gz IRLFOCHOAQZREO-UHFFFAOYSA-N 0 3 366.456 3.368 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1coc(C2CCCC2)n1 ZINC000509438493 502903453 /nfs/dbraw/zinc/90/34/53/502903453.db2.gz LLDVWAOHIVHLQO-UHFFFAOYSA-N 0 3 366.465 3.408 20 30 FGEDHN C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000505596778 502945159 /nfs/dbraw/zinc/94/51/59/502945159.db2.gz NRLGTYYENZPGGI-GQIGUUNPSA-N 0 3 351.450 3.133 20 30 FGEDHN N#Cc1ccc(N2CCC(NCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000513713706 503007523 /nfs/dbraw/zinc/00/75/23/503007523.db2.gz RZJMUOOTUNAXJN-UHFFFAOYSA-N 0 3 368.868 3.409 20 30 FGEDHN O=C(NCC#Cc1ccccc1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506101311 503047771 /nfs/dbraw/zinc/04/77/71/503047771.db2.gz OQDKUSIUNXEDLV-FQEVSTJZSA-N 0 3 368.427 3.312 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)NCc2cc(C#N)ccc2F)CCN1Cc1ccccc1 ZINC000498385364 503175346 /nfs/dbraw/zinc/17/53/46/503175346.db2.gz MQESOFCQSVUTBT-QRWLVFNGSA-N 0 3 366.440 3.160 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510944445 503222955 /nfs/dbraw/zinc/22/29/55/503222955.db2.gz GAGOXZLKUSCBND-DZGCQCFKSA-N 0 3 353.388 3.400 20 30 FGEDHN CS[C@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1N(C)C ZINC000490861332 503238207 /nfs/dbraw/zinc/23/82/07/503238207.db2.gz VNQJLPUUHVATHI-ZBFHGGJFSA-N 0 3 359.520 3.199 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CCC[C@H]1CCO ZINC000502856145 503290429 /nfs/dbraw/zinc/29/04/29/503290429.db2.gz OOYDQLHCHBMTHR-PMPSAXMXSA-N 0 3 361.511 3.018 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1C ZINC000498922726 503294364 /nfs/dbraw/zinc/29/43/64/503294364.db2.gz CVZUSRMFXKEGHQ-HZPDHXFCSA-N 0 3 362.905 3.001 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C#N)s3)c2)CC1 ZINC000502905955 503305173 /nfs/dbraw/zinc/30/51/73/503305173.db2.gz SUABPSLDXMEATA-UHFFFAOYSA-N 0 3 354.479 3.402 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000507536036 503317077 /nfs/dbraw/zinc/31/70/77/503317077.db2.gz QKIKFHCVOLRICG-MAUKXSAKSA-N 0 3 351.425 3.192 20 30 FGEDHN C=CCCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511561232 503343563 /nfs/dbraw/zinc/34/35/63/503343563.db2.gz PPRFHIWSVBTTGD-IBGZPJMESA-N 0 3 359.514 3.179 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511562708 503343603 /nfs/dbraw/zinc/34/36/03/503343603.db2.gz NCFPQWVCBZMTNJ-QGZVFWFLSA-N 0 3 369.387 3.388 20 30 FGEDHN COc1cccc(C[C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000515496039 503351312 /nfs/dbraw/zinc/35/13/12/503351312.db2.gz NWTXXAKVTHVJQN-UXHICEINSA-N 0 3 366.461 3.014 20 30 FGEDHN C=CCN(CC=C)[C@H](CNc1cc(C)nc(-c2cccnc2)n1)C(C)C ZINC000515582348 503368751 /nfs/dbraw/zinc/36/87/51/503368751.db2.gz AWGLMFUKTSZXOC-LJQANCHMSA-N 0 3 351.498 3.379 20 30 FGEDHN C=CCN(CC=C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000503214635 503369043 /nfs/dbraw/zinc/36/90/43/503369043.db2.gz GXVBLIMMTQKTHU-UHFFFAOYSA-N 0 3 370.541 3.281 20 30 FGEDHN C=CCN1CC[C@H](N2CCC(c3ccc(Br)cc3)CC2)C1=O ZINC000503367985 503395679 /nfs/dbraw/zinc/39/56/79/503395679.db2.gz MFRPMVXKXPXDQO-KRWDZBQOSA-N 0 3 363.299 3.415 20 30 FGEDHN Cc1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC000593066490 506371057 /nfs/dbraw/zinc/37/10/57/506371057.db2.gz FIIVYDZLMLNCAK-GOTSBHOMSA-N 0 3 361.489 3.342 20 30 FGEDHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000503524087 503428166 /nfs/dbraw/zinc/42/81/66/503428166.db2.gz UKYHVAWJLGNJJO-APHBMKBZSA-N 0 3 369.387 3.211 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@H]2OCc2ccccc2)CCCCC1 ZINC000503530770 503431142 /nfs/dbraw/zinc/43/11/42/503431142.db2.gz MJUGUFVZLOEADA-RBUKOAKNSA-N 0 3 355.482 3.057 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000512038111 503440541 /nfs/dbraw/zinc/44/05/41/503440541.db2.gz IKTDRUDKGGJUIM-NSHGMRRFSA-N 0 3 374.525 3.334 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000508238803 503461280 /nfs/dbraw/zinc/46/12/80/503461280.db2.gz XETAGYKSYOIAQO-FQEVSTJZSA-N 0 3 366.465 3.389 20 30 FGEDHN C[C@H]1CCCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000512197376 503483210 /nfs/dbraw/zinc/48/32/10/503483210.db2.gz PQQVSLIUMQNVQQ-HNNXBMFYSA-N 0 3 352.400 3.438 20 30 FGEDHN C[C@@H](NC(=O)NCCc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000503904749 503486768 /nfs/dbraw/zinc/48/67/68/503486768.db2.gz AYFXEXFVSZYOOY-UZLBHIALSA-N 0 3 350.466 3.091 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CSC[C@H]2C)c1C#N ZINC000512217623 503489267 /nfs/dbraw/zinc/48/92/67/503489267.db2.gz GXTKOMRTVGEPMA-PXAZEXFGSA-N 0 3 360.527 3.371 20 30 FGEDHN C=CCC1(C(=O)N2CCC[C@H](N)[C@@H]2c2ccccc2OC)CCOCC1 ZINC000516456365 503514448 /nfs/dbraw/zinc/51/44/48/503514448.db2.gz VMHRLPDCLCHOSE-HKUYNNGSSA-N 0 3 358.482 3.059 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494497893 503552700 /nfs/dbraw/zinc/55/27/00/503552700.db2.gz SWOOWZLPLSCOEA-WITVHBPWSA-N 0 3 363.889 3.203 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc(N2CCOCC2)s1 ZINC000494514432 503555115 /nfs/dbraw/zinc/55/51/15/503555115.db2.gz NZODELHQIHWAOL-SFHVURJKSA-N 0 3 354.479 3.019 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(C(F)(F)F)c1 ZINC000516689871 503569936 /nfs/dbraw/zinc/56/99/36/503569936.db2.gz LPFCLKMWRJPUAJ-DOTOQJQBSA-N 0 3 368.399 3.234 20 30 FGEDHN CC(C)(CNCc1cnc2ccc(C#N)cn12)Oc1cc(F)cc(F)c1 ZINC000512501862 503571725 /nfs/dbraw/zinc/57/17/25/503571725.db2.gz QLQDOKDMUDUALI-UHFFFAOYSA-N 0 3 356.376 3.431 20 30 FGEDHN C=CCOc1ccc(CNCc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000512511019 503573404 /nfs/dbraw/zinc/57/34/04/503573404.db2.gz BCTZLSCEEJFTLK-UHFFFAOYSA-N 0 3 363.461 3.339 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000512595636 503592096 /nfs/dbraw/zinc/59/20/96/503592096.db2.gz SOZIXZCIOWTTMB-UHFFFAOYSA-N 0 3 361.445 3.344 20 30 FGEDHN C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508907400 503597291 /nfs/dbraw/zinc/59/72/91/503597291.db2.gz MNWRIDLAMBQJDK-IBGZPJMESA-N 0 3 353.514 3.140 20 30 FGEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000516860198 503602281 /nfs/dbraw/zinc/60/22/81/503602281.db2.gz NYALPAAEWCNNOR-QGZVFWFLSA-N 0 3 373.545 3.201 20 30 FGEDHN C=C(CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)c1ccccc1 ZINC000512674763 503610207 /nfs/dbraw/zinc/61/02/07/503610207.db2.gz YTCLMBKNANTACQ-HXUWFJFHSA-N 0 3 353.466 3.311 20 30 FGEDHN N#Cc1cccc(C2(NCCCN3CCN(c4ccccc4)CC3)CC2)c1 ZINC000508976895 503611283 /nfs/dbraw/zinc/61/12/83/503611283.db2.gz KREUOAGLXNLXKL-UHFFFAOYSA-N 0 3 360.505 3.349 20 30 FGEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000527107863 503681972 /nfs/dbraw/zinc/68/19/72/503681972.db2.gz YLSCPBNYUHAGAP-INIZCTEOSA-N 0 3 353.853 3.464 20 30 FGEDHN N#Cc1cccc(OCCN2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000536694681 503685450 /nfs/dbraw/zinc/68/54/50/503685450.db2.gz VCIJITQLKYBGLC-UHFFFAOYSA-N 0 3 362.429 3.498 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(-n2ccnn2)c1)C(C)C ZINC000495227745 503704946 /nfs/dbraw/zinc/70/49/46/503704946.db2.gz BTBYDJYQVIIFSF-LJQANCHMSA-N 0 3 368.485 3.087 20 30 FGEDHN C=CCOc1cccnc1C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000540472682 503782103 /nfs/dbraw/zinc/78/21/03/503782103.db2.gz JAJTZXCPZVIYMM-UHFFFAOYSA-N 0 3 353.466 3.370 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000533539663 503882407 /nfs/dbraw/zinc/88/24/07/503882407.db2.gz AVHNPRBAVXBMFR-FGTMMUONSA-N 0 3 373.472 3.209 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000530235544 503886145 /nfs/dbraw/zinc/88/61/45/503886145.db2.gz ZHVRSCFZKBDRTO-RLFYNMQTSA-N 0 3 360.816 3.236 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000518052538 503899583 /nfs/dbraw/zinc/89/95/83/503899583.db2.gz OTCIRDDCQKFCQI-KGLIPLIRSA-N 0 3 374.554 3.207 20 30 FGEDHN N#Cc1ccc(N2CCC(NC[C@H](n3cccn3)C(F)(F)F)CC2)cc1 ZINC000527736054 503921055 /nfs/dbraw/zinc/92/10/55/503921055.db2.gz JUXGBYAVXOKUGK-KRWDZBQOSA-N 0 3 363.387 3.117 20 30 FGEDHN Cc1noc(C)c1CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000533759337 503944309 /nfs/dbraw/zinc/94/43/09/503944309.db2.gz YOGHQAFOIULSIS-UHFFFAOYSA-N 0 3 352.438 3.056 20 30 FGEDHN C[C@H](NC(=O)N(C)CCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541157274 504025849 /nfs/dbraw/zinc/02/58/49/504025849.db2.gz CTZDYFZECORZIP-INIZCTEOSA-N 0 3 350.466 3.489 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)Cc1cccc(C#N)c1 ZINC000537771909 504035742 /nfs/dbraw/zinc/03/57/42/504035742.db2.gz PBIAEVRGEOUHGK-UHFFFAOYSA-N 0 3 362.477 3.261 20 30 FGEDHN COc1ccc([C@@H](CNC(=O)Cc2cccc(C#N)c2)N2CCCC2)cc1 ZINC000530670153 504047526 /nfs/dbraw/zinc/04/75/26/504047526.db2.gz GVEXHTAVHGKBTJ-OAQYLSRUSA-N 0 3 363.461 3.063 20 30 FGEDHN C=CCCC[C@H](C)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000538147352 504145709 /nfs/dbraw/zinc/14/57/09/504145709.db2.gz KKJZQBRVFJBCQO-KRWDZBQOSA-N 0 3 366.527 3.136 20 30 FGEDHN C=CCC[C@@H](NCC(=O)NC1(C(=O)OC)CCCCC1)c1ccccc1 ZINC000538256488 504179393 /nfs/dbraw/zinc/17/93/93/504179393.db2.gz MAWPAMQMYRBRPR-GOSISDBHSA-N 0 3 358.482 3.276 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2ccccc2C(F)(F)F)CC1 ZINC000519302967 504187646 /nfs/dbraw/zinc/18/76/46/504187646.db2.gz YVQJEHFDEKHDBX-UHFFFAOYSA-N 0 3 355.404 3.198 20 30 FGEDHN C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000544688449 504219568 /nfs/dbraw/zinc/21/95/68/504219568.db2.gz SKTKCFGCMPBFDX-MBOZVWFJSA-N 0 3 356.514 3.456 20 30 FGEDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCc2ccc(F)cc21 ZINC000528533731 504263604 /nfs/dbraw/zinc/26/36/04/504263604.db2.gz NLUYWSYTXYKZJO-DNVCBOLYSA-N 0 3 354.425 3.099 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN(C)c1ccncc1 ZINC000541857721 504279706 /nfs/dbraw/zinc/27/97/06/504279706.db2.gz RGLBDZFBYRDYGN-UHFFFAOYSA-N 0 3 354.410 3.031 20 30 FGEDHN C[C@@H](NCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000541904938 504298999 /nfs/dbraw/zinc/29/89/99/504298999.db2.gz TYDGYOFEAMBULV-QGZVFWFLSA-N 0 3 352.457 3.170 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000531450708 504312054 /nfs/dbraw/zinc/31/20/54/504312054.db2.gz CPYGLJXAGYKBHV-RCJHGTSTSA-N 0 3 355.482 3.260 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](C)C[C@@H](C)O)cc1OC ZINC000542135021 504375204 /nfs/dbraw/zinc/37/52/04/504375204.db2.gz PFTMZIGDWUJDDM-NWDGAFQWSA-N 0 3 358.276 3.272 20 30 FGEDHN C=CCN(Cc1ccc(CC#N)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000542278638 504436116 /nfs/dbraw/zinc/43/61/16/504436116.db2.gz CNGBAEBYFZFKTI-KRWDZBQOSA-N 0 3 358.449 3.478 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000542312906 504446943 /nfs/dbraw/zinc/44/69/43/504446943.db2.gz FXYGCPQVOIEHDN-RTWAWAEBSA-N 0 3 355.482 3.097 20 30 FGEDHN CC(C)c1csc(C(C#N)=C([O-])c2ccc(Cn3ccnn3)cc2)n1 ZINC000528966679 504473132 /nfs/dbraw/zinc/47/31/32/504473132.db2.gz MOGYAJJBWHJQKR-HNNXBMFYSA-N 0 3 351.435 3.396 20 30 FGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(Cn3ccnn3)cc2)n1 ZINC000528966679 504473136 /nfs/dbraw/zinc/47/31/36/504473136.db2.gz MOGYAJJBWHJQKR-HNNXBMFYSA-N 0 3 351.435 3.396 20 30 FGEDHN C=CCOc1cccnc1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539358878 504541017 /nfs/dbraw/zinc/54/10/17/504541017.db2.gz ISMMONWVSXWHQF-IBGZPJMESA-N 0 3 365.477 3.241 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000542577990 504545064 /nfs/dbraw/zinc/54/50/64/504545064.db2.gz XHKHELVETOQPSG-OWCLPIDISA-N 0 3 361.511 3.282 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)s1 ZINC000539512514 504595115 /nfs/dbraw/zinc/59/51/15/504595115.db2.gz OYUQZJBZFXIOGG-ZDUSSCGKSA-N 0 3 370.396 3.459 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000546005045 504671555 /nfs/dbraw/zinc/67/15/55/504671555.db2.gz CZQYGRBXARBVFQ-UHFFFAOYSA-N 0 3 358.467 3.224 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000532698470 504738802 /nfs/dbraw/zinc/73/88/02/504738802.db2.gz BHBUEKRPXFBRQH-IBGZPJMESA-N 0 3 354.425 3.496 20 30 FGEDHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000559087028 504778944 /nfs/dbraw/zinc/77/89/44/504778944.db2.gz FDRRKWIKDCCXNR-JMERFSKESA-N 0 3 361.511 3.373 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000565272699 504839086 /nfs/dbraw/zinc/83/90/86/504839086.db2.gz QKRQEIWARXOGMQ-UHFFFAOYSA-N 0 3 359.477 3.308 20 30 FGEDHN Cc1ccc([C@H](CNc2nc3c(cc2C#N)COCC3)N2CCCC2)cc1 ZINC000562530159 504848467 /nfs/dbraw/zinc/84/84/67/504848467.db2.gz VUIWVHJYNCTDAJ-NRFANRHFSA-N 0 3 362.477 3.005 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(CC(C)C)CC1 ZINC000549670076 504870508 /nfs/dbraw/zinc/87/05/08/504870508.db2.gz OCEHZOBEVWIUAR-UHFFFAOYSA-N 0 3 354.502 3.003 20 30 FGEDHN CN1CCN(CCCNc2nccc(C#N)c2Cl)[C@H](c2ccccc2)C1 ZINC000553309873 504879213 /nfs/dbraw/zinc/87/92/13/504879213.db2.gz KRAJQIUQHXZTLE-SFHVURJKSA-N 0 3 369.900 3.397 20 30 FGEDHN N#Cc1c(F)cccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000559795087 504929246 /nfs/dbraw/zinc/92/92/46/504929246.db2.gz IGJWONHDOHSWNH-LJQANCHMSA-N 0 3 364.468 3.094 20 30 FGEDHN C[C@H](NC1(CNC(=O)c2cscc2C#N)CCOCC1)c1ccccc1 ZINC000559823235 504932700 /nfs/dbraw/zinc/93/27/00/504932700.db2.gz SGXOHXITUSUUPI-HNNXBMFYSA-N 0 3 369.490 3.250 20 30 FGEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000550264168 505006512 /nfs/dbraw/zinc/00/65/12/505006512.db2.gz WLAGVOYUMHKXPR-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN Cc1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000563012519 505020338 /nfs/dbraw/zinc/02/03/38/505020338.db2.gz WCMGTXWSHSMZRV-UGKGYDQZSA-N 0 3 350.462 3.468 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1C#N ZINC000560328723 505048005 /nfs/dbraw/zinc/04/80/05/505048005.db2.gz TUKAUKAZOCFOPP-CYBMUJFWSA-N 0 3 370.522 3.109 20 30 FGEDHN C=CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000557050037 505053263 /nfs/dbraw/zinc/05/32/63/505053263.db2.gz BCFFBINQXUVPEN-UHFFFAOYSA-N 0 3 353.422 3.055 20 30 FGEDHN CN(C(=O)c1ccc(NCc2cc(C#N)cs2)cc1)[C@H]1CCCN(C)C1 ZINC000551091256 505155698 /nfs/dbraw/zinc/15/56/98/505155698.db2.gz OITRCJHKCZDOFX-SFHVURJKSA-N 0 3 368.506 3.398 20 30 FGEDHN N#Cc1cnn2cc(CNCCOc3ccccc3-c3ccccc3)cnc12 ZINC000551220333 505180040 /nfs/dbraw/zinc/18/00/40/505180040.db2.gz MQVHLWVFEOSYJC-UHFFFAOYSA-N 0 3 369.428 3.437 20 30 FGEDHN COc1ccc([C@@H](CNC(=O)NCC(C)(C)CCC#N)N2CCCC2)cc1 ZINC000554474311 505182262 /nfs/dbraw/zinc/18/22/62/505182262.db2.gz UTNGMNJFWJCIDW-LJQANCHMSA-N 0 3 372.513 3.461 20 30 FGEDHN COc1ccc([C@@H](CN2CCCC2)Nc2nccc(C#N)c2Cl)cc1 ZINC000557647724 505193444 /nfs/dbraw/zinc/19/34/44/505193444.db2.gz YHAAJHQDDQJRBS-QGZVFWFLSA-N 0 3 356.857 3.286 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000551543458 505249896 /nfs/dbraw/zinc/24/98/96/505249896.db2.gz XLPDYWXZCDEDIY-SFHVURJKSA-N 0 3 357.841 3.253 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN([C@@H](C)CO)C2CCCC2)c1C ZINC000558116127 505311676 /nfs/dbraw/zinc/31/16/76/505311676.db2.gz VAGLLFMLWAWKOC-KRWDZBQOSA-N 0 3 357.498 3.176 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccco1 ZINC000561611067 505390801 /nfs/dbraw/zinc/39/08/01/505390801.db2.gz RICAPLFUVIRNOY-KFKAGJAMSA-N 0 3 364.449 3.079 20 30 FGEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000561762046 505430012 /nfs/dbraw/zinc/43/00/12/505430012.db2.gz JHDJVPWQYKICFU-UEXGIBASSA-N 0 3 369.509 3.296 20 30 FGEDHN N#CCCC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000564796562 505523034 /nfs/dbraw/zinc/52/30/34/505523034.db2.gz NLONMKSCKSTXPA-IBGZPJMESA-N 0 3 361.436 3.472 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000555891442 505534975 /nfs/dbraw/zinc/53/49/75/505534975.db2.gz COZGCYCMHAUEJE-RGFKIIKPSA-N 0 3 367.474 3.268 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000564858600 505541647 /nfs/dbraw/zinc/54/16/47/505541647.db2.gz VGILDZIXLVAGRF-FXAWDEMLSA-N 0 3 361.445 3.446 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000559004612 505549886 /nfs/dbraw/zinc/54/98/86/505549886.db2.gz YRONVSHGTDBZHJ-LJQANCHMSA-N 0 3 371.504 3.361 20 30 FGEDHN N#C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000564891142 505551387 /nfs/dbraw/zinc/55/13/87/505551387.db2.gz GAAZRBHHPJIMMP-INIZCTEOSA-N 0 3 367.371 3.140 20 30 FGEDHN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H](O)CC2(C#N)CCOCC2)C2CC2)o1 ZINC000599252773 506386235 /nfs/dbraw/zinc/38/62/35/506386235.db2.gz RUNHIYXQMXLVNZ-SUMDDJOVSA-N 0 3 358.482 3.439 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N3CCC[C@@](C)(C#N)C3)c(C)c2)CC1 ZINC000612036789 506403441 /nfs/dbraw/zinc/40/34/41/506403441.db2.gz PTIANLZZJHTQDL-NRFANRHFSA-N 0 3 369.513 3.295 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000612115407 506443465 /nfs/dbraw/zinc/44/34/65/506443465.db2.gz ILIPDVKHKCAUQD-CTNGQTDRSA-N 0 3 354.498 3.234 20 30 FGEDHN COCc1cc(C#N)ccc1NCc1ccccc1CN1CCC(O)CC1 ZINC000603301988 506480617 /nfs/dbraw/zinc/48/06/17/506480617.db2.gz YXIKHJCZIPSEHO-UHFFFAOYSA-N 0 3 365.477 3.273 20 30 FGEDHN C[C@H](NC(=O)NCCc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000596597269 506480630 /nfs/dbraw/zinc/48/06/30/506480630.db2.gz NJBZVAODJKVTMB-OXJNMPFZSA-N 0 3 350.466 3.091 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000596601096 506482150 /nfs/dbraw/zinc/48/21/50/506482150.db2.gz MLOKQZNPJJDFFQ-FPOVZHCZSA-N 0 3 356.514 3.433 20 30 FGEDHN C[C@@H]1CN(c2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cn2)C[C@H](C)O1 ZINC000589336535 506521340 /nfs/dbraw/zinc/52/13/40/506521340.db2.gz OUIGEIKSWJFPBV-MRUHUIDDSA-N 0 3 362.477 3.344 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)NCC2(C#N)CCCC2)CC1 ZINC000593303833 506526031 /nfs/dbraw/zinc/52/60/31/506526031.db2.gz YVVFLXOSJIVKHB-UHFFFAOYSA-N 0 3 354.498 3.343 20 30 FGEDHN CN(C)C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000596676303 506526585 /nfs/dbraw/zinc/52/65/85/506526585.db2.gz YDUVXPKBFBECAW-LJQANCHMSA-N 0 3 370.884 3.356 20 30 FGEDHN CNc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000599611297 506528479 /nfs/dbraw/zinc/52/84/79/506528479.db2.gz YXMJTHXGAXXLAY-UHFFFAOYSA-N 0 3 351.454 3.196 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)ccc1Cl ZINC000599626964 506538383 /nfs/dbraw/zinc/53/83/83/506538383.db2.gz SXRAGLMCDCPSGT-YGTYGHESSA-N 0 3 363.889 3.297 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000599626632 506539006 /nfs/dbraw/zinc/53/90/06/506539006.db2.gz XKMRAQJPVMZUMT-VKESLTNKSA-N 0 3 357.498 3.340 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N3Cc4cccc(C#N)c4C3)cc2)CC1 ZINC000593367718 506579023 /nfs/dbraw/zinc/57/90/23/506579023.db2.gz ZSOXZQYOJNIUPU-UHFFFAOYSA-N 0 3 374.488 3.245 20 30 FGEDHN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000589648551 506621112 /nfs/dbraw/zinc/62/11/12/506621112.db2.gz YPVPDOJWCYBTSY-LJQANCHMSA-N 0 3 364.497 3.146 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000599793862 506640236 /nfs/dbraw/zinc/64/02/36/506640236.db2.gz WPUFWOZQKIOFFM-ZIAGYGMSSA-N 0 3 361.467 3.074 20 30 FGEDHN COc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(F)cc1C#N ZINC000599819597 506656152 /nfs/dbraw/zinc/65/61/52/506656152.db2.gz MJCDQPMLYHFHOI-MRXNPFEDSA-N 0 3 368.412 3.102 20 30 FGEDHN CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCN(CC)C1 ZINC000596896008 506661867 /nfs/dbraw/zinc/66/18/67/506661867.db2.gz YZFIEPYWJUFWTD-CQSZACIVSA-N 0 3 370.375 3.405 20 30 FGEDHN Cc1nn(C)c2nccc(NC3CCN(Cc4cccc(C#N)c4)CC3)c12 ZINC000593517846 506664860 /nfs/dbraw/zinc/66/48/60/506664860.db2.gz PVGJJHBIAPWGCW-UHFFFAOYSA-N 0 3 360.465 3.225 20 30 FGEDHN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C(C#N)CC ZINC000593523246 506668416 /nfs/dbraw/zinc/66/84/16/506668416.db2.gz MZMINISQMJQTIU-RISCZKNCSA-N 0 3 357.237 3.134 20 30 FGEDHN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C(C#N)CC ZINC000593523244 506669107 /nfs/dbraw/zinc/66/91/07/506669107.db2.gz MZMINISQMJQTIU-BXUZGUMPSA-N 0 3 357.237 3.134 20 30 FGEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(CN(C)C)cc1 ZINC000609029829 506764925 /nfs/dbraw/zinc/76/49/25/506764925.db2.gz NASIAPHOVFHKEN-UHFFFAOYSA-N 0 3 370.541 3.255 20 30 FGEDHN COCCc1ccc(OC[C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000597133174 506794554 /nfs/dbraw/zinc/79/45/54/506794554.db2.gz PEJGCKZBUUHSIQ-MRXNPFEDSA-N 0 3 354.450 3.313 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc2ccccc2o1 ZINC000604374838 506804259 /nfs/dbraw/zinc/80/42/59/506804259.db2.gz CEZALIZWHZRPAY-UHFFFAOYSA-N 0 3 361.445 3.437 20 30 FGEDHN CNCc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000593899985 506825352 /nfs/dbraw/zinc/82/53/52/506825352.db2.gz JPTYNYBQRZQZAP-UHFFFAOYSA-N 0 3 354.479 3.329 20 30 FGEDHN CC(C)(C)Oc1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604436844 506832626 /nfs/dbraw/zinc/83/26/26/506832626.db2.gz FTTLWOKYPOYLDJ-IBGZPJMESA-N 0 3 368.477 3.459 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000609391254 506873080 /nfs/dbraw/zinc/87/30/80/506873080.db2.gz IZVWCYDIQHKFTC-MRXNPFEDSA-N 0 3 369.494 3.069 20 30 FGEDHN Cc1cc(Br)c(CNC2CCN(CC#N)CC2)cc1Cl ZINC000590645612 506894265 /nfs/dbraw/zinc/89/42/65/506894265.db2.gz KYWNKYVZZJKJKQ-UHFFFAOYSA-N 0 3 356.695 3.489 20 30 FGEDHN CS(=O)(=O)c1ccc(OCCNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594031863 506896104 /nfs/dbraw/zinc/89/61/04/506896104.db2.gz MJVWZJXLUCGPBY-UHFFFAOYSA-N 0 3 370.474 3.010 20 30 FGEDHN N#Cc1ccc(C2(NCCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000594033526 506897342 /nfs/dbraw/zinc/89/73/42/506897342.db2.gz RFDVVVSWROVHDU-UHFFFAOYSA-N 0 3 364.405 3.464 20 30 FGEDHN C[C@H]1CCCN(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000609515764 506905569 /nfs/dbraw/zinc/90/55/69/506905569.db2.gz CDEBUXSDOFYAEO-INIZCTEOSA-N 0 3 364.449 3.207 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609515746 506905789 /nfs/dbraw/zinc/90/57/89/506905789.db2.gz BBYAPRQECBZIJQ-MRXNPFEDSA-N 0 3 364.449 3.350 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000609566936 506923594 /nfs/dbraw/zinc/92/35/94/506923594.db2.gz ZPMJVOIPUDJFFL-KRWDZBQOSA-N 0 3 363.461 3.453 20 30 FGEDHN CC[C@H](C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597426948 506947896 /nfs/dbraw/zinc/94/78/96/506947896.db2.gz QAJUDJYKBUUYKJ-INIZCTEOSA-N 0 3 364.497 3.147 20 30 FGEDHN Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c(C#N)cc1N(C)C ZINC000594113833 506948516 /nfs/dbraw/zinc/94/85/16/506948516.db2.gz STIPYVYUHXQBRV-FUHWJXTLSA-N 0 3 355.486 3.071 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2cc[nH]c2cn1 ZINC000594139278 506967518 /nfs/dbraw/zinc/96/75/18/506967518.db2.gz DXGLZHJGGFWJRE-UHFFFAOYSA-N 0 3 362.437 3.030 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)N3Cc4ccc(C#N)cc4C3)cc2)CC1 ZINC000594154402 506978844 /nfs/dbraw/zinc/97/88/44/506978844.db2.gz LHOHUXPVUAEIEP-UHFFFAOYSA-N 0 3 374.488 3.245 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000594238523 507033796 /nfs/dbraw/zinc/03/37/96/507033796.db2.gz GGJMWVMWLYZAGT-JOCHJYFZSA-N 0 3 374.488 3.494 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)CC2 ZINC000583901399 507038926 /nfs/dbraw/zinc/03/89/26/507038926.db2.gz BRHYJUFALQVUCB-FGZHOGPDSA-N 0 3 365.452 3.348 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)c1ccco1 ZINC000594247160 507039902 /nfs/dbraw/zinc/03/99/02/507039902.db2.gz AZQIIIZRFVMGQO-KSSFIOAISA-N 0 3 352.438 3.306 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCSc2c(F)cccc21 ZINC000600717000 507080457 /nfs/dbraw/zinc/08/04/57/507080457.db2.gz IESPLLUYETYSGB-YOEHRIQHSA-N 0 3 358.438 3.264 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597735678 507081415 /nfs/dbraw/zinc/08/14/15/507081415.db2.gz ITMMTOWIURVGTN-HNNXBMFYSA-N 0 3 369.415 3.431 20 30 FGEDHN CC(C)COc1cccc(CNC[C@H](O)COc2ccccc2C#N)c1 ZINC000600723109 507081979 /nfs/dbraw/zinc/08/19/79/507081979.db2.gz VRIMOQKCMKXOOD-IBGZPJMESA-N 0 3 354.450 3.123 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(-n2ccnc2)c1)C(C)C ZINC000605127946 507086260 /nfs/dbraw/zinc/08/62/60/507086260.db2.gz DHPWIRNMERWCOI-HXUWFJFHSA-N 0 3 352.482 3.301 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@H]4COC[C@@H]43)sc2C1 ZINC000591040948 507089760 /nfs/dbraw/zinc/08/97/60/507089760.db2.gz HZZNJFCLCLCSMX-CPUCHLNUSA-N 0 3 373.522 3.184 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCCc3sc(Cl)cc32)CCOCC1 ZINC000600739918 507093756 /nfs/dbraw/zinc/09/37/56/507093756.db2.gz RRARSQASUJZMFV-GXTWGEPZSA-N 0 3 354.903 3.440 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000591065881 507097625 /nfs/dbraw/zinc/09/76/25/507097625.db2.gz FSTUASXWVAPAOC-FDFHNCONSA-N 0 3 359.473 3.395 20 30 FGEDHN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594426801 507127384 /nfs/dbraw/zinc/12/73/84/507127384.db2.gz HEIMEXGSRXQNNN-MAUKXSAKSA-N 0 3 356.470 3.051 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000594426925 507127614 /nfs/dbraw/zinc/12/76/14/507127614.db2.gz GLAOMAJHHWKNLD-OAHLLOKOSA-N 0 3 364.287 3.356 20 30 FGEDHN Cn1ccnc1Sc1ccc(F)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594431730 507129552 /nfs/dbraw/zinc/12/95/52/507129552.db2.gz QNQYWAIUHWFHHG-CYBMUJFWSA-N 0 3 361.446 3.060 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000594439568 507133570 /nfs/dbraw/zinc/13/35/70/507133570.db2.gz XJBNGKHEVBGPAQ-INIZCTEOSA-N 0 3 350.422 3.033 20 30 FGEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1Br ZINC000594442694 507135881 /nfs/dbraw/zinc/13/58/81/507135881.db2.gz HWQSFEJOBGKHOY-HNNXBMFYSA-N 0 3 366.303 3.254 20 30 FGEDHN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594446275 507137518 /nfs/dbraw/zinc/13/75/18/507137518.db2.gz OWQAMHGLLALTCE-GXTWGEPZSA-N 0 3 353.850 3.103 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000594445343 507137666 /nfs/dbraw/zinc/13/76/66/507137666.db2.gz DGLKHZMJFLUHKD-QZTJIDSGSA-N 0 3 362.905 3.004 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000613579972 507165504 /nfs/dbraw/zinc/16/55/04/507165504.db2.gz KMUDXZIJNADJNR-PZJWPPBQSA-N 0 3 356.514 3.478 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)C3(C#N)CC4(CC4)C3)c(C)c2)CC1 ZINC000600952153 507204785 /nfs/dbraw/zinc/20/47/85/507204785.db2.gz MGOIVHHJWQBWRE-UHFFFAOYSA-N 0 3 352.482 3.159 20 30 FGEDHN C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1cccc(C#N)c1 ZINC000610400183 507227194 /nfs/dbraw/zinc/22/71/94/507227194.db2.gz PDPSENKMAJHQGP-OXJNMPFZSA-N 0 3 350.466 3.091 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H](Cn1cccn1)c1ccccc1 ZINC000610433027 507237403 /nfs/dbraw/zinc/23/74/03/507237403.db2.gz PVGVSTWPZVFHOS-LJQANCHMSA-N 0 3 362.433 3.173 20 30 FGEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000610451827 507244636 /nfs/dbraw/zinc/24/46/36/507244636.db2.gz KMQRSQIACWNEJX-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN CN(Cc1cc2ccccc2o1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610476673 507255340 /nfs/dbraw/zinc/25/53/40/507255340.db2.gz FWIPVBUKYZLFCZ-GOSISDBHSA-N 0 3 350.418 3.371 20 30 FGEDHN COCc1csc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000594942546 507324784 /nfs/dbraw/zinc/32/47/84/507324784.db2.gz IZXGFXSFCDHPNM-UHFFFAOYSA-N 0 3 352.463 3.456 20 30 FGEDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000584408522 507330587 /nfs/dbraw/zinc/33/05/87/507330587.db2.gz HBCVONRYRJNPCZ-DOTOQJQBSA-N 0 3 371.481 3.187 20 30 FGEDHN COc1ccc(N2C[C@@H](NCc3ccc(C4(C#N)CC4)cc3)CC2=O)cc1 ZINC000594967419 507335272 /nfs/dbraw/zinc/33/52/72/507335272.db2.gz YZKJAZSMAYSFIL-SFHVURJKSA-N 0 3 361.445 3.145 20 30 FGEDHN CCN(C)c1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cn1 ZINC000594979234 507340200 /nfs/dbraw/zinc/34/02/00/507340200.db2.gz GJOODQYQZSGZQX-UHFFFAOYSA-N 0 3 350.466 3.205 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000594990965 507345110 /nfs/dbraw/zinc/34/51/10/507345110.db2.gz VXBINHUIVLNIOH-NHCUHLMSSA-N 0 3 369.509 3.102 20 30 FGEDHN CSc1ccc(OC[C@@H](O)CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764883 507352907 /nfs/dbraw/zinc/35/29/07/507352907.db2.gz OLWPBCWSKXITHJ-JXFKEZNVSA-N 0 3 354.475 3.297 20 30 FGEDHN CCCN1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000598342429 507385414 /nfs/dbraw/zinc/38/54/14/507385414.db2.gz NDTHIAKSPUICKT-HXUWFJFHSA-N 0 3 363.461 3.351 20 30 FGEDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614168488 507393334 /nfs/dbraw/zinc/39/33/34/507393334.db2.gz DWBCKPVEDQBVGT-NRFANRHFSA-N 0 3 354.542 3.088 20 30 FGEDHN CC(C)(NC(=O)Nc1ccc2c(c1)CNCCO2)c1cccc(C#N)c1 ZINC000595236851 507435508 /nfs/dbraw/zinc/43/55/08/507435508.db2.gz QJESLUWYAGMMRO-UHFFFAOYSA-N 0 3 350.422 3.097 20 30 FGEDHN CC(C)(NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1cccc(C#N)c1 ZINC000595245141 507436560 /nfs/dbraw/zinc/43/65/60/507436560.db2.gz GSIDYXJLSBIJIX-IBGZPJMESA-N 0 3 364.449 3.276 20 30 FGEDHN N#Cc1ccc(CCN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000595359581 507471011 /nfs/dbraw/zinc/47/10/11/507471011.db2.gz QLRVEKJDOFZVTQ-UHFFFAOYSA-N 0 3 368.868 3.500 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNC2(c3cccc(F)c3)CCC2)cc1 ZINC000592145148 507507689 /nfs/dbraw/zinc/50/76/89/507507689.db2.gz PFNISGAWERTAFC-LJQANCHMSA-N 0 3 354.425 3.300 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000598590628 507508914 /nfs/dbraw/zinc/50/89/14/507508914.db2.gz RUEDAURDVGZNJK-KRWDZBQOSA-N 0 3 354.454 3.217 20 30 FGEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000592151489 507510497 /nfs/dbraw/zinc/51/04/97/507510497.db2.gz MLRJASYTEWGCJR-NRFANRHFSA-N 0 3 365.433 3.158 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598596192 507512945 /nfs/dbraw/zinc/51/29/45/507512945.db2.gz JEFHDAZJRYDTPM-OWCLPIDISA-N 0 3 356.388 3.114 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2N1CC[C@H](OCCN2CCCCC2)C1 ZINC000611104431 507516087 /nfs/dbraw/zinc/51/60/87/507516087.db2.gz UKMGZBLFTFJBLU-IBGZPJMESA-N 0 3 364.493 3.496 20 30 FGEDHN COc1ccc(Br)cc1C1(NC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598624659 507521603 /nfs/dbraw/zinc/52/16/03/507521603.db2.gz KFNXOTDQXXZIPN-CYBMUJFWSA-N 0 3 367.287 3.337 20 30 FGEDHN COC(=O)c1cccc(CN2CC[C@H](N(C)Cc3ccccc3)C2)c1C#N ZINC000611126777 507527260 /nfs/dbraw/zinc/52/72/60/507527260.db2.gz VARAFSZYELGSOS-IBGZPJMESA-N 0 3 363.461 3.051 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC3(C[C@H]2C)CCOCC3)c1 ZINC000592183762 507528098 /nfs/dbraw/zinc/52/80/98/507528098.db2.gz WRNZXAMUOFMPDV-LJQANCHMSA-N 0 3 369.509 3.441 20 30 FGEDHN CC(C)n1cc(C2=CCCN(CCOc3cccc(C#N)c3)CC2)nn1 ZINC000595519307 507541753 /nfs/dbraw/zinc/54/17/53/507541753.db2.gz WROOEBWNIADQLP-UHFFFAOYSA-N 0 3 351.454 3.289 20 30 FGEDHN N#Cc1cnc2c(F)cc(F)cc2c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000611165735 507542946 /nfs/dbraw/zinc/54/29/46/507542946.db2.gz HLDYHKKZKZQVBU-OAHLLOKOSA-N 0 3 358.392 3.050 20 30 FGEDHN CN(C)C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2O1 ZINC000614503176 507543706 /nfs/dbraw/zinc/54/37/06/507543706.db2.gz OMSGUEBPUWNMIT-HNNXBMFYSA-N 0 3 355.825 3.181 20 30 FGEDHN CCN1C[C@@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000611225359 507569323 /nfs/dbraw/zinc/56/93/23/507569323.db2.gz KQSSNCKRBRBXEU-LSDHHAIUSA-N 0 3 374.554 3.242 20 30 FGEDHN Cc1cc(NC[C@H](O)CC(C)(C)C#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000598729555 507571313 /nfs/dbraw/zinc/57/13/13/507571313.db2.gz KTIXUPUMXZEOGK-HXUWFJFHSA-N 0 3 358.530 3.238 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@]3(C2)CCCOC3)c1 ZINC000585756290 507617099 /nfs/dbraw/zinc/61/70/99/507617099.db2.gz RHTXCFXMESNGBJ-UGKGYDQZSA-N 0 3 369.509 3.441 20 30 FGEDHN COc1ccc(C2(NCc3cnc4ccc(C#N)cn34)CCOCC2)cc1 ZINC000585766509 507622806 /nfs/dbraw/zinc/62/28/06/507622806.db2.gz LZOWHKUPXHSRNI-UHFFFAOYSA-N 0 3 362.433 3.010 20 30 FGEDHN CC(C)(NC[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000611402031 507664728 /nfs/dbraw/zinc/66/47/28/507664728.db2.gz KTAWXOOKDURLKA-INIZCTEOSA-N 0 3 360.404 3.295 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000586795067 507674460 /nfs/dbraw/zinc/67/44/60/507674460.db2.gz LWUHRZSLZDTXDR-QUCCMNQESA-N 0 3 352.482 3.205 20 30 FGEDHN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000614883558 507684121 /nfs/dbraw/zinc/68/41/21/507684121.db2.gz GMBYPWIAUMVKEM-LEWJYISDSA-N 0 3 373.541 3.075 20 30 FGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000602531959 507740574 /nfs/dbraw/zinc/74/05/74/507740574.db2.gz YFUARQJCXDDRMD-GOSISDBHSA-N 0 3 365.477 3.085 20 30 FGEDHN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000611566396 507741672 /nfs/dbraw/zinc/74/16/72/507741672.db2.gz DXLDHIJMEAJFOC-AEFFLSMTSA-N 0 3 358.511 3.092 20 30 FGEDHN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@H](N)CCCC#N ZINC000602562510 507749588 /nfs/dbraw/zinc/74/95/88/507749588.db2.gz TUPRIHHLYWTPPN-IVMMDQJWSA-N 0 3 364.287 3.175 20 30 FGEDHN C[C@H]1CCCCN1CCOc1ccccc1C(=O)Nc1cccc(C#N)n1 ZINC000592661649 507752239 /nfs/dbraw/zinc/75/22/39/507752239.db2.gz KIJLIGFEZJNDOE-INIZCTEOSA-N 0 3 364.449 3.459 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000595980848 507754319 /nfs/dbraw/zinc/75/43/19/507754319.db2.gz LOOADOKTOFABAX-MRXNPFEDSA-N 0 3 365.412 3.490 20 30 FGEDHN N#Cc1ccc(-n2ccc(NC(=O)NCCN3CCCCC3)n2)c(Cl)c1 ZINC000541100837 562603078 /nfs/dbraw/zinc/60/30/78/562603078.db2.gz JRDGNMAYPXNSFI-UHFFFAOYSA-N 0 3 372.860 3.005 20 30 FGEDHN C=CC[N@@H+](CCCc1cccc(OC)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419644 599130296 /nfs/dbraw/zinc/13/02/96/599130296.db2.gz YOFCGHCQMSYPSO-UHFFFAOYSA-N 0 3 363.465 3.496 20 30 FGEDHN C=CC[N@H+](CCCc1cccc(OC)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419644 599130297 /nfs/dbraw/zinc/13/02/97/599130297.db2.gz YOFCGHCQMSYPSO-UHFFFAOYSA-N 0 3 363.465 3.496 20 30 FGEDHN C=CC[N@@H+](CCCc1cccc(OC)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419644 599130299 /nfs/dbraw/zinc/13/02/99/599130299.db2.gz YOFCGHCQMSYPSO-UHFFFAOYSA-N 0 3 363.465 3.496 20 30 FGEDHN C=CC[N@H+](CCCc1cccc(OC)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419644 599130301 /nfs/dbraw/zinc/13/03/01/599130301.db2.gz YOFCGHCQMSYPSO-UHFFFAOYSA-N 0 3 363.465 3.496 20 30 FGEDHN N#CC(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)NC1CCCC1 ZINC000103330692 700483368 /nfs/dbraw/zinc/48/33/68/700483368.db2.gz MTXLFLPHLDUEJW-LSDHHAIUSA-N 0 3 352.356 3.490 20 30 FGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000120389820 700653720 /nfs/dbraw/zinc/65/37/20/700653720.db2.gz HNCIWZKVKVTMAX-GFCCVEGCSA-N 0 3 351.259 3.201 20 30 FGEDHN N#CC(C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1ccccn1 ZINC000126411119 700748044 /nfs/dbraw/zinc/74/80/44/700748044.db2.gz ZYOWILUISBJYQG-CQSZACIVSA-N 0 3 359.838 3.316 20 30 FGEDHN CC(C)(C)n1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000130260418 700798669 /nfs/dbraw/zinc/79/86/69/700798669.db2.gz MBCPCDILUWQZCP-GFCCVEGCSA-N 0 3 362.792 3.392 20 30 FGEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000152272083 704957267 /nfs/dbraw/zinc/95/72/67/704957267.db2.gz HPLXISJDIRMMKM-GXFFZTMASA-N 0 3 356.394 3.464 20 30 FGEDHN CCCC[C@@H](NC(=O)NCC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000157867063 705166566 /nfs/dbraw/zinc/16/65/66/705166566.db2.gz NNIZNBKBHCIQIS-QWHCGFSZSA-N 0 3 350.488 3.321 20 30 FGEDHN C#CCSCCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186070206 712708546 /nfs/dbraw/zinc/70/85/46/712708546.db2.gz DTLDPDSMCOPHJG-QZTJIDSGSA-N 0 3 351.537 3.036 20 30 FGEDHN N#CC(C(=O)COCC1CC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193405609 712890180 /nfs/dbraw/zinc/89/01/80/712890180.db2.gz GKGLWTLVSICCHN-CYBMUJFWSA-N 0 3 354.378 3.075 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CCCO1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193405476 712890245 /nfs/dbraw/zinc/89/02/45/712890245.db2.gz AFKWNMUMPCBQFP-AAEUAGOBSA-N 0 3 354.378 3.218 20 30 FGEDHN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000328879979 713826456 /nfs/dbraw/zinc/82/64/56/713826456.db2.gz LPRMXKGJBGUCRA-DJIMGWMZSA-N 0 3 361.511 3.090 20 30 FGEDHN N#Cc1c(F)ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1Cl ZINC000374639067 713935913 /nfs/dbraw/zinc/93/59/13/713935913.db2.gz HDAFYPIZPJWNAM-CXAGYDPISA-N 0 3 352.837 3.008 20 30 FGEDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000615806911 714550343 /nfs/dbraw/zinc/55/03/43/714550343.db2.gz RJNBCNVXKYLUIP-GDBMZVCRSA-N 0 3 356.388 3.155 20 30 FGEDHN CN(C)C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000619825476 714873371 /nfs/dbraw/zinc/87/33/71/714873371.db2.gz ONUHEYQMJQBPEH-SFHVURJKSA-N 0 3 356.857 3.043 20 30 FGEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626039757 715834086 /nfs/dbraw/zinc/83/40/86/715834086.db2.gz NIRDOMWNUWKIHR-VNHYZAJKSA-N 0 3 351.288 3.318 20 30 FGEDHN N#Cc1ccc2ccnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164725999 720369490 /nfs/dbraw/zinc/36/94/90/720369490.db2.gz OIRUKXVFRLFRHT-LEWJYISDSA-N 0 3 355.445 3.355 20 30 FGEDHN Cc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)ccc1CC#N ZINC001164857360 721007667 /nfs/dbraw/zinc/00/76/67/721007667.db2.gz DIOSYDNWVANYKT-INIZCTEOSA-N 0 3 352.486 3.074 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000783536309 724762568 /nfs/dbraw/zinc/76/25/68/724762568.db2.gz KRHREZGGZLRABF-VXGBXAGGSA-N 0 3 366.310 3.340 20 30 FGEDHN C=CCOC[C@@H]1CCC[C@]12CN(c1ccc(CN3CCCC3)cn1)CCO2 ZINC001164973760 722169151 /nfs/dbraw/zinc/16/91/51/722169151.db2.gz CUQLDASXTZLPNQ-UNMCSNQZSA-N 0 3 371.525 3.256 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682895314 722270824 /nfs/dbraw/zinc/27/08/24/722270824.db2.gz UQGIFKQCEDJHCJ-UHFFFAOYSA-N 0 3 351.288 3.446 20 30 FGEDHN C[C@@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417597 722468318 /nfs/dbraw/zinc/46/83/18/722468318.db2.gz QMTITBHWQBERFC-SKDRFNHKSA-N 0 3 357.366 3.023 20 30 FGEDHN COC1CCC(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000734488149 722507799 /nfs/dbraw/zinc/50/77/99/722507799.db2.gz ZSIIWHGFELKWAO-YMAMQOFZSA-N 0 3 357.479 3.362 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)n2cccc2)cc1Cl ZINC000735206091 722513329 /nfs/dbraw/zinc/51/33/29/722513329.db2.gz IXZSNMWMJHHWPD-TZMCWYRMSA-N 0 3 359.813 3.449 20 30 FGEDHN CN1CCC[C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740473363 722536342 /nfs/dbraw/zinc/53/63/42/722536342.db2.gz LFAZNXKZEBAJKY-INIZCTEOSA-N 0 3 354.479 3.180 20 30 FGEDHN Cc1ccoc1C=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000743424490 722567322 /nfs/dbraw/zinc/56/73/22/722567322.db2.gz LNEBMDOVGXWWBE-UHFFFAOYSA-N 0 3 356.495 3.051 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)CCCOc1cccc(Cl)c1Cl ZINC000743449809 722567676 /nfs/dbraw/zinc/56/76/76/722567676.db2.gz VLOHHSNPMXLNEB-LLVKDONJSA-N 0 3 355.221 3.163 20 30 FGEDHN CCCCCCCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000743579444 722569065 /nfs/dbraw/zinc/56/90/65/722569065.db2.gz HVTKOHMAHUSPMK-AWEZNQCLSA-N 0 3 361.939 3.265 20 30 FGEDHN COc1ccc(NC(=S)NN=C2CCCC[C@@H]2N2CCCCC2)cn1 ZINC000748788253 722704238 /nfs/dbraw/zinc/70/42/38/722704238.db2.gz PRGYMIBIKGAQKX-INIZCTEOSA-N 0 3 361.515 3.161 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccccc2OCc2cscn2)CC1 ZINC000749549404 722732832 /nfs/dbraw/zinc/73/28/32/722732832.db2.gz JYGYYQUWBMFICJ-UHFFFAOYSA-N 0 3 355.463 3.006 20 30 FGEDHN N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000752477264 722858760 /nfs/dbraw/zinc/85/87/60/722858760.db2.gz MWHMLFYNTIGCRT-SNVBAGLBSA-N 0 3 355.737 3.148 20 30 FGEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000752477264 722858764 /nfs/dbraw/zinc/85/87/64/722858764.db2.gz MWHMLFYNTIGCRT-SNVBAGLBSA-N 0 3 355.737 3.148 20 30 FGEDHN C=CCNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000754530908 722940975 /nfs/dbraw/zinc/94/09/75/722940975.db2.gz FTHCRKLQCBIPTD-GFCCVEGCSA-N 0 3 367.232 3.357 20 30 FGEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)O1 ZINC000757307603 722975828 /nfs/dbraw/zinc/97/58/28/722975828.db2.gz WROUBYORLNRDOE-XUJVJEKNSA-N 0 3 364.829 3.262 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000790714032 723169766 /nfs/dbraw/zinc/16/97/66/723169766.db2.gz ZPQKSNCVFXZFTA-ZBFHGGJFSA-N 0 3 360.329 3.252 20 30 FGEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767885283 723638117 /nfs/dbraw/zinc/63/81/17/723638117.db2.gz RFWMQGJBBAOCOK-UKRRQHHQSA-N 0 3 353.388 3.255 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccn(C(F)F)n1 ZINC000776076307 724106750 /nfs/dbraw/zinc/10/67/50/724106750.db2.gz FARCQEATBULWHX-QMMMGPOBSA-N 0 3 356.691 3.032 20 30 FGEDHN C#CCOc1ccc(Br)cc1CNCC1([C@@H](O)C(C)C)CC1 ZINC000776494895 724151127 /nfs/dbraw/zinc/15/11/27/724151127.db2.gz QMWGCLNWTJRXQJ-KRWDZBQOSA-N 0 3 366.299 3.348 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCOCC1 ZINC000786308642 724972228 /nfs/dbraw/zinc/97/22/28/724972228.db2.gz QVTNREWKOPFOQE-ZYHUDNBSSA-N 0 3 355.221 3.457 20 30 FGEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cc1nc(C)sc1C)c1ccccc1 ZINC000786511006 724985077 /nfs/dbraw/zinc/98/50/77/724985077.db2.gz IQJSGBMSLAQOFD-HZPDHXFCSA-N 0 3 355.463 3.279 20 30 FGEDHN CC(C)OCC(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000787054133 725015093 /nfs/dbraw/zinc/01/50/93/725015093.db2.gz SNLCLXQTIOODGS-GWCFXTLKSA-N 0 3 357.237 3.304 20 30 FGEDHN CCC[C@@H](CCCS(C)(=O)=O)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000789405838 725127035 /nfs/dbraw/zinc/12/70/35/725127035.db2.gz SNADHGALWHONCU-KBPBESRZSA-N 0 3 362.451 3.245 20 30 FGEDHN N#Cc1cccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000810531897 725313149 /nfs/dbraw/zinc/31/31/49/725313149.db2.gz PWRMIRGUJAALDG-NSHDSACASA-N 0 3 359.172 3.221 20 30 FGEDHN C#CCNC(=O)CCN(Cc1ccccc1Br)C(C)(C)C ZINC000815061889 727029491 /nfs/dbraw/zinc/02/94/91/727029491.db2.gz AIXNZZVSODHQIZ-UHFFFAOYSA-N 0 3 351.288 3.189 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccnn1C ZINC000817713326 727278479 /nfs/dbraw/zinc/27/84/79/727278479.db2.gz BQYHKMIMWRRZFS-KOLCDFICSA-N 0 3 365.220 3.178 20 30 FGEDHN C#Cc1cccc(N(CC)C(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000825980092 729401397 /nfs/dbraw/zinc/40/13/97/729401397.db2.gz QUPQMOUAWMJUKR-HOTGVXAUSA-N 0 3 355.356 3.005 20 30 FGEDHN CC(C)(C)OC(=O)N1CCc2nc(CNCCCCC#N)sc2C1 ZINC000835039046 729852298 /nfs/dbraw/zinc/85/22/98/729852298.db2.gz WDUAXBOSKOAUBF-UHFFFAOYSA-N 0 3 350.488 3.220 20 30 FGEDHN C=C(Br)CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000837913899 730075212 /nfs/dbraw/zinc/07/52/12/730075212.db2.gz JARQHVXFJSTFKO-CQSZACIVSA-N 0 3 372.332 3.219 20 30 FGEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1SCC(F)(F)F ZINC000838624151 730131758 /nfs/dbraw/zinc/13/17/58/730131758.db2.gz JKIAKPBROATCFR-UHFFFAOYSA-N 0 3 359.417 3.418 20 30 FGEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000841607775 730259902 /nfs/dbraw/zinc/25/99/02/730259902.db2.gz IUXHCDUNIMTXOG-MRXNPFEDSA-N 0 3 366.481 3.146 20 30 FGEDHN C[C@H]1NCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@@H]1C ZINC000841831253 730279804 /nfs/dbraw/zinc/27/98/04/730279804.db2.gz RQLZSZWNEXJJOX-ZIAGYGMSSA-N 0 3 354.479 3.179 20 30 FGEDHN C[C@]1(NC(=O)c2ccc(C#N)c(Cl)n2)CCN(Cc2ccccc2)C1 ZINC000844966445 730796582 /nfs/dbraw/zinc/79/65/82/730796582.db2.gz YCTVBOXCYVIMTI-IBGZPJMESA-N 0 3 354.841 3.001 20 30 FGEDHN Cc1ccn([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000850760056 731385948 /nfs/dbraw/zinc/38/59/48/731385948.db2.gz VDRJYWMCNUGDSC-WCQYABFASA-N 0 3 362.792 3.283 20 30 FGEDHN C=CCC[C@@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335821 731571688 /nfs/dbraw/zinc/57/16/88/731571688.db2.gz QDEBPPBIZQXWNK-UTUOFQBUSA-N 0 3 367.125 3.141 20 30 FGEDHN CCC[C@H](C(=O)C(C#N)C(=O)NCCCOC)c1cccc(Cl)c1 ZINC000860460989 732517688 /nfs/dbraw/zinc/51/76/88/732517688.db2.gz CQNBSASGGBZIOD-HOTGVXAUSA-N 0 3 350.846 3.085 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)O1 ZINC000870143630 733815777 /nfs/dbraw/zinc/81/57/77/733815777.db2.gz WHTIVUPZJOSCKN-PKZYVASSSA-N 0 3 355.221 3.454 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000876604970 736119379 /nfs/dbraw/zinc/11/93/79/736119379.db2.gz QQDKKQODRGLOCB-QMMMGPOBSA-N 0 3 356.703 3.298 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000876604364 736119387 /nfs/dbraw/zinc/11/93/87/736119387.db2.gz LGFDMWPMEMGOTD-CJNGLKHVSA-N 0 3 366.893 3.207 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000876618604 736122661 /nfs/dbraw/zinc/12/26/61/736122661.db2.gz ZWCKGGGOJPIUQJ-GWCFXTLKSA-N 0 3 350.768 3.275 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000876890084 736157861 /nfs/dbraw/zinc/15/78/61/736157861.db2.gz WNQNICAPRZKMCZ-CABZTGNLSA-N 0 3 361.667 3.105 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1cc(Br)no1 ZINC000878727818 736912046 /nfs/dbraw/zinc/91/20/46/736912046.db2.gz DGBPUUMYRYRHPP-GWCFXTLKSA-N 0 3 350.216 3.035 20 30 FGEDHN C#CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1C)C1CCN(C)CC1 ZINC000886577724 739271466 /nfs/dbraw/zinc/27/14/66/739271466.db2.gz VBNBSNAERVDCCM-UHFFFAOYSA-N 0 3 356.363 3.323 20 30 FGEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCOCC1 ZINC000887124905 739331379 /nfs/dbraw/zinc/33/13/79/739331379.db2.gz ZUBOMFJZAKRUDG-UHFFFAOYSA-N 0 3 374.790 3.459 20 30 FGEDHN COc1ccc([C@H](NC(C)C)C(=O)N(C)Cc2cc(C#N)cs2)cc1 ZINC000900750782 743159424 /nfs/dbraw/zinc/15/94/24/743159424.db2.gz LPLXNMHCEXOBEY-SFHVURJKSA-N 0 3 357.479 3.326 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2sc(C)cc2Br)CC1 ZINC000906591656 744146480 /nfs/dbraw/zinc/14/64/80/744146480.db2.gz DENKFIZDSQJNGQ-UHFFFAOYSA-N 0 3 357.317 3.128 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccsc2C#N)C1 ZINC000907331832 744204473 /nfs/dbraw/zinc/20/44/73/744204473.db2.gz LSJBBWBVVZQVMJ-UHFFFAOYSA-N 0 3 355.463 3.001 20 30 FGEDHN C=CCCC[C@H](N)C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000912153832 757276480 /nfs/dbraw/zinc/27/64/80/757276480.db2.gz WZEMHZZNLWCCHX-AWEZNQCLSA-N 0 3 372.296 3.464 20 30 FGEDHN N#Cc1cccc([C@H](NC(=O)[C@@H]2CC[C@@H]3CCCCN32)C(F)(F)F)c1 ZINC000913782080 757588174 /nfs/dbraw/zinc/58/81/74/757588174.db2.gz JLGVKOZBTBESRZ-JYJNAYRXSA-N 0 3 351.372 3.295 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2cccc(Cl)c2)c1 ZINC000916893398 758150761 /nfs/dbraw/zinc/15/07/61/758150761.db2.gz ASQFQRDEELTHPC-MRXNPFEDSA-N 0 3 358.781 3.075 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2cccc(Cl)c2)cc1 ZINC000916949723 758156476 /nfs/dbraw/zinc/15/64/76/758156476.db2.gz GSEQTIDZLJNONY-MRXNPFEDSA-N 0 3 358.781 3.075 20 30 FGEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1C ZINC000917520837 758232146 /nfs/dbraw/zinc/23/21/46/758232146.db2.gz VCFCKLVCRSWRPU-LBPRGKRZSA-N 0 3 364.377 3.004 20 30 FGEDHN N#CC(C(=O)CCc1nccs1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000920110035 758512308 /nfs/dbraw/zinc/51/23/08/758512308.db2.gz MJPXHOIXPSWHQN-SNVBAGLBSA-N 0 3 351.790 3.216 20 30 FGEDHN Cc1cc(C#N)cc(C)c1CNCc1ccnc(N2CCSCC2)c1 ZINC000922305288 758888005 /nfs/dbraw/zinc/88/80/05/758888005.db2.gz ZLMOXTMFBLQYQC-UHFFFAOYSA-N 0 3 352.507 3.413 20 30 FGEDHN C#Cc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC000931616243 760912762 /nfs/dbraw/zinc/91/27/62/760912762.db2.gz PUIKEQZDHVNEGD-CJNGLKHVSA-N 0 3 354.372 3.038 20 30 FGEDHN N#CC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(F)(F)F ZINC000932929140 761278264 /nfs/dbraw/zinc/27/82/64/761278264.db2.gz ZHPZMHQXJYZILW-AAEUAGOBSA-N 0 3 360.405 3.029 20 30 FGEDHN C=C(Br)CNC1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000964020555 762788922 /nfs/dbraw/zinc/78/89/22/762788922.db2.gz ZZWQXOWSISVPJW-SSHXOBKSSA-N 0 3 355.320 3.300 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC000990740734 764560130 /nfs/dbraw/zinc/56/01/30/764560130.db2.gz LJUTZPPCAPLFAK-AJYBTWMASA-N 0 3 360.523 3.343 20 30 FGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000999852799 765183958 /nfs/dbraw/zinc/18/39/58/765183958.db2.gz ATONYNFIEUKQMQ-CXTZMWEQSA-N 0 3 354.828 3.400 20 30 FGEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001007351963 765587141 /nfs/dbraw/zinc/58/71/41/765587141.db2.gz NHHMVGFLZKAETK-YOTSKQKMSA-N 0 3 356.432 3.205 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1Cl ZINC001035057393 766254609 /nfs/dbraw/zinc/25/46/09/766254609.db2.gz PTJIFANOGRCQNN-NUJGCVRESA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC001041293494 766330710 /nfs/dbraw/zinc/33/07/10/766330710.db2.gz GCNABPHITFYWKY-HBFSDRIKSA-N 0 3 360.523 3.154 20 30 FGEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001049528535 766791944 /nfs/dbraw/zinc/79/19/44/766791944.db2.gz GPSNKXBLUMCMAL-QBPKDAKJSA-N 0 3 356.432 3.444 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001049778476 766810759 /nfs/dbraw/zinc/81/07/59/766810759.db2.gz OLBRGPCOYZUQHA-RDGPPVDQSA-N 0 3 360.523 3.295 20 30 FGEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)[C@@H]2C1 ZINC001050160708 766823855 /nfs/dbraw/zinc/82/38/55/766823855.db2.gz PNENJICBCNKLSW-IJXRJRJASA-N 0 3 356.897 3.390 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001054134181 766998022 /nfs/dbraw/zinc/99/80/22/766998022.db2.gz WADNMKKKJWRIGF-NIHOYUCZSA-N 0 3 352.906 3.035 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001054212984 767003421 /nfs/dbraw/zinc/00/34/21/767003421.db2.gz RIWZJAXHTPMNEY-WXPMVHIXSA-N 0 3 366.933 3.425 20 30 FGEDHN C=CCCOCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000533800800 503953973 /nfs/dbraw/zinc/95/39/73/503953973.db2.gz USOLTGMDQXIUEJ-QGZVFWFLSA-N 0 3 365.543 3.413 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCC(N3CN=NC3=O)CC2)cc1 ZINC000573621790 505580637 /nfs/dbraw/zinc/58/06/37/505580637.db2.gz LSOQAUBYMFICAL-UHFFFAOYSA-N 0 3 359.433 3.359 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2(c3ccc(Cl)cc3)CC2)c1 ZINC000579703378 505605494 /nfs/dbraw/zinc/60/54/94/505605494.db2.gz KFUWNNZUWGFQFB-UHFFFAOYSA-N 0 3 374.893 3.307 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CN1Cc1ccccc1 ZINC000568100895 505616431 /nfs/dbraw/zinc/61/64/31/505616431.db2.gz MKMDAYVTLURRKF-UZLBHIALSA-N 0 3 362.477 3.017 20 30 FGEDHN Cc1cc(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)ncc1C#N ZINC000579805493 505625290 /nfs/dbraw/zinc/62/52/90/505625290.db2.gz JYIJSBDXJFLLHV-UHFFFAOYSA-N 0 3 364.449 3.297 20 30 FGEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C12CCCCC2 ZINC000577001552 505643090 /nfs/dbraw/zinc/64/30/90/505643090.db2.gz QPRSMIHRLCDFAV-SJORKVTESA-N 0 3 359.470 3.424 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000080886491 493787453 /nfs/dbraw/zinc/78/74/53/493787453.db2.gz ISJMJIAZQMEXOX-FCHUYYIVSA-N 0 3 372.472 3.124 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000068310385 493793968 /nfs/dbraw/zinc/79/39/68/493793968.db2.gz ZAGRXJCHGUOSLB-UHFFFAOYSA-N 0 3 364.424 3.383 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000068309925 493794180 /nfs/dbraw/zinc/79/41/80/493794180.db2.gz MBDAYZWJIUWDOD-UHFFFAOYSA-N 0 3 364.424 3.383 20 30 FGEDHN C[C@H](Oc1ccc(F)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068309883 493794294 /nfs/dbraw/zinc/79/42/94/493794294.db2.gz HAKQHXWUGMNWSL-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN CN(Cc1ccc(C#N)cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000081006012 493811554 /nfs/dbraw/zinc/81/15/54/493811554.db2.gz SOUSFAFXUPPXTD-UHFFFAOYSA-N 0 3 352.457 3.231 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000030532527 493895591 /nfs/dbraw/zinc/89/55/91/493895591.db2.gz IHRXDKGCYIPXDB-OXQOHEQNSA-N 0 3 366.461 3.386 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NCCCN(C)Cc1ccccc1 ZINC000050107828 493899147 /nfs/dbraw/zinc/89/91/47/493899147.db2.gz OTHYXHCPHWIMLW-UHFFFAOYSA-N 0 3 352.438 3.210 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000030774033 493907429 /nfs/dbraw/zinc/90/74/29/493907429.db2.gz WYOVCJAACXTTNZ-UHFFFAOYSA-N 0 3 353.470 3.047 20 30 FGEDHN COCCN(CCC(=O)Nc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000069071882 493916431 /nfs/dbraw/zinc/91/64/31/493916431.db2.gz JYYBTHZPLUWAFM-UHFFFAOYSA-N 0 3 367.449 3.044 20 30 FGEDHN C=CCOc1ccccc1CNCCN1CCN(Cc2ccccc2)CC1 ZINC000060833595 493955947 /nfs/dbraw/zinc/95/59/47/493955947.db2.gz XHVQPOIBPGAXFR-UHFFFAOYSA-N 0 3 365.521 3.159 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCOc2ccccc21 ZINC000076793359 493971086 /nfs/dbraw/zinc/97/10/86/493971086.db2.gz KYVJVJCOYQOEMN-FQEVSTJZSA-N 0 3 363.461 3.015 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC#Cc1ccccc1 ZINC000062477391 494013872 /nfs/dbraw/zinc/01/38/72/494013872.db2.gz XSRFAIPNMANAFV-UHFFFAOYSA-N 0 3 371.431 3.090 20 30 FGEDHN C=CCOc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1OC ZINC000033089391 494042623 /nfs/dbraw/zinc/04/26/23/494042623.db2.gz XEDYVDUAAMNRFK-UHFFFAOYSA-N 0 3 354.450 3.252 20 30 FGEDHN C[C@H](NC1(CNC(=O)c2cc(C#N)cs2)CCOCC1)c1ccccc1 ZINC000084298387 494062610 /nfs/dbraw/zinc/06/26/10/494062610.db2.gz DGYVLBSNCKBCLZ-HNNXBMFYSA-N 0 3 369.490 3.250 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(CCO)C2CCCCC2)c1 ZINC000071081041 494086662 /nfs/dbraw/zinc/08/66/62/494086662.db2.gz ZDKWPBNHSNXBAA-UHFFFAOYSA-N 0 3 357.498 3.177 20 30 FGEDHN CSC[C@@H](CCO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000077462313 494088723 /nfs/dbraw/zinc/08/87/23/494088723.db2.gz MFMQWBREVZVDTC-LJQANCHMSA-N 0 3 356.491 3.341 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccccc1Oc1ccccc1 ZINC000071863275 494105635 /nfs/dbraw/zinc/10/56/35/494105635.db2.gz ITNZTIYRYANRHB-HNNXBMFYSA-N 0 3 359.447 3.084 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)COc2ccccc2C#N)CC1 ZINC000053358651 494121448 /nfs/dbraw/zinc/12/14/48/494121448.db2.gz GORUKPSWZDLURU-UHFFFAOYSA-N 0 3 363.461 3.026 20 30 FGEDHN COc1ccc(CNCc2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000064613545 494138474 /nfs/dbraw/zinc/13/84/74/494138474.db2.gz QPFPUBCCUFJSQQ-UHFFFAOYSA-N 0 3 368.433 3.439 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064644239 494140197 /nfs/dbraw/zinc/14/01/97/494140197.db2.gz RSCNLCPIGVFFPV-LJQANCHMSA-N 0 3 367.518 3.311 20 30 FGEDHN N#Cc1cscc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000574138882 505703164 /nfs/dbraw/zinc/70/31/64/505703164.db2.gz NKCHCAZMLNTVHZ-UHFFFAOYSA-N 0 3 366.490 3.404 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000077774156 494174263 /nfs/dbraw/zinc/17/42/63/494174263.db2.gz SNMKYCNKBMTINN-UHFFFAOYSA-N 0 3 362.477 3.065 20 30 FGEDHN COCCN(CCC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000072583637 494209782 /nfs/dbraw/zinc/20/97/82/494209782.db2.gz ISUZSIOENGDYFW-UHFFFAOYSA-N 0 3 351.450 3.344 20 30 FGEDHN CCN1CCC[C@H]1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055159939 494308255 /nfs/dbraw/zinc/30/82/55/494308255.db2.gz RAKXKWXHUMMDML-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000015360780 494350384 /nfs/dbraw/zinc/35/03/84/494350384.db2.gz LNZJONWVSGBYMX-UHFFFAOYSA-N 0 3 369.490 3.023 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000066726236 494395679 /nfs/dbraw/zinc/39/56/79/494395679.db2.gz JHFNGHULPYJEDS-KRWDZBQOSA-N 0 3 365.477 3.436 20 30 FGEDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000089925767 494402847 /nfs/dbraw/zinc/40/28/47/494402847.db2.gz UACKYZWVQWDNEE-IBGZPJMESA-N 0 3 352.482 3.167 20 30 FGEDHN C=CCc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc(OC)c1OC ZINC000066945524 494442829 /nfs/dbraw/zinc/44/28/29/494442829.db2.gz HJOHUIYQWXKMCL-GOSISDBHSA-N 0 3 358.482 3.133 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)COc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000079553907 494478757 /nfs/dbraw/zinc/47/87/57/494478757.db2.gz JZUOGQAABMYFID-YLJYHZDGSA-N 0 3 363.461 3.106 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)C ZINC000046049172 494490123 /nfs/dbraw/zinc/49/01/23/494490123.db2.gz YHGAQRNFCXUADS-OAQYLSRUSA-N 0 3 369.509 3.024 20 30 FGEDHN Cc1c(NC(=O)CCN(C)Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000046529380 494536630 /nfs/dbraw/zinc/53/66/30/494536630.db2.gz UTCKKRWFTDRLIN-UHFFFAOYSA-N 0 3 352.394 3.236 20 30 FGEDHN C/C=C/c1ccc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000046835930 494572666 /nfs/dbraw/zinc/57/26/66/494572666.db2.gz IOIFYGCCKJLNQZ-DPZZJQGRSA-N 0 3 366.461 3.472 20 30 FGEDHN COc1ccc([C@H](NC[C@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000023677632 494574867 /nfs/dbraw/zinc/57/48/67/494574867.db2.gz XZDPHUMUVOENGC-GHTZIAJQSA-N 0 3 354.450 3.293 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067616649 494585138 /nfs/dbraw/zinc/58/51/38/494585138.db2.gz JQSZQIHJCGZXTI-RTWAWAEBSA-N 0 3 362.477 3.188 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCc2cccc(OC(C)(C)C)n2)CC1 ZINC000131449738 494622724 /nfs/dbraw/zinc/62/27/24/494622724.db2.gz VGBGDQCBSJYOMN-UHFFFAOYSA-N 0 3 359.514 3.348 20 30 FGEDHN C=CCCC[C@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000091619523 494629074 /nfs/dbraw/zinc/62/90/74/494629074.db2.gz BIIVMVLMBRWCLW-IBGZPJMESA-N 0 3 355.526 3.328 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1O ZINC000092506599 494650812 /nfs/dbraw/zinc/65/08/12/494650812.db2.gz XCSGLZFFIOJHPR-QKLQHJQFSA-N 0 3 374.525 3.203 20 30 FGEDHN N#Cc1ccc([C@@H](S[C@H]2CCCN(Cc3ccccc3)C2)C(N)=O)cc1 ZINC000580326346 505733523 /nfs/dbraw/zinc/73/35/23/505733523.db2.gz OMIUKMDIBNAATF-VQTJNVASSA-N 0 3 365.502 3.482 20 30 FGEDHN C[C@@H](Cc1ccccc1C(F)(F)F)NCc1cnc2c(C#N)cnn2c1 ZINC000580327229 505733569 /nfs/dbraw/zinc/73/35/69/505733569.db2.gz BVLRUVSFVDKZCU-LBPRGKRZSA-N 0 3 359.355 3.341 20 30 FGEDHN CCOc1c(F)cccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000074950960 494662576 /nfs/dbraw/zinc/66/25/76/494662576.db2.gz MLJVEAREKOVFSV-UHFFFAOYSA-N 0 3 369.440 3.300 20 30 FGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc3ccccc3n2C)n1 ZINC000067897326 494685113 /nfs/dbraw/zinc/68/51/13/494685113.db2.gz QYWUNHLJXJDODY-LBPRGKRZSA-N 0 3 353.403 3.302 20 30 FGEDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000067979283 494717742 /nfs/dbraw/zinc/71/77/42/494717742.db2.gz AHECPJUEUVQGLU-CALCHBBNSA-N 0 3 363.461 3.097 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc(OC)c1O ZINC000092706165 494718349 /nfs/dbraw/zinc/71/83/49/494718349.db2.gz YIGXKUDHTUMVSA-INIZCTEOSA-N 0 3 360.498 3.114 20 30 FGEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000025364767 494729149 /nfs/dbraw/zinc/72/91/49/494729149.db2.gz SNBQNXHUOSMCKU-KRWDZBQOSA-N 0 3 360.465 3.468 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000092056709 494771826 /nfs/dbraw/zinc/77/18/26/494771826.db2.gz QOMBFJOVUQLKTF-UHFFFAOYSA-N 0 3 368.525 3.261 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1OCCCC#N ZINC000092073583 494779578 /nfs/dbraw/zinc/77/95/78/494779578.db2.gz FHNCCDHVUPJAQA-KRWDZBQOSA-N 0 3 354.454 3.480 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000126671766 494816238 /nfs/dbraw/zinc/81/62/38/494816238.db2.gz ZROJBZMTAUZYQR-FQEVSTJZSA-N 0 3 367.880 3.286 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000126927939 494864185 /nfs/dbraw/zinc/86/41/85/494864185.db2.gz COAHIETZVVLWOS-LJQANCHMSA-N 0 3 372.509 3.306 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(CC)nn(C)c1Cl)C(C)C ZINC000132448851 494876067 /nfs/dbraw/zinc/87/60/67/494876067.db2.gz ILRVKLNSFOZPCH-OAHLLOKOSA-N 0 3 352.910 3.064 20 30 FGEDHN C=CCOc1ccc(CN2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)cc1OC ZINC000093613870 494905147 /nfs/dbraw/zinc/90/51/47/494905147.db2.gz CEBOJWOUPAZBGI-PMACEKPBSA-N 0 3 361.482 3.012 20 30 FGEDHN CN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000109742954 494913276 /nfs/dbraw/zinc/91/32/76/494913276.db2.gz QXGAOAFXZFTBFV-UHFFFAOYSA-N 0 3 362.477 3.123 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC2(c3ccccc3)CCCCC2)nc1 ZINC000577557478 505751493 /nfs/dbraw/zinc/75/14/93/505751493.db2.gz HCBPJQAZMYHJCZ-UHFFFAOYSA-N 0 3 369.490 3.176 20 30 FGEDHN N#Cc1cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)ccc1F ZINC000110282758 494964695 /nfs/dbraw/zinc/96/46/95/494964695.db2.gz HGSOZTLIABAJDR-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN N#CCOc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000110610743 494994380 /nfs/dbraw/zinc/99/43/80/494994380.db2.gz UYXUFRZTENGADE-GOSISDBHSA-N 0 3 369.490 3.146 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000118481748 495005795 /nfs/dbraw/zinc/00/57/95/495005795.db2.gz FNCMFZRLKWXSRN-FUHWJXTLSA-N 0 3 351.535 3.167 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000574372819 505757711 /nfs/dbraw/zinc/75/77/11/505757711.db2.gz TUJREJKDONERHK-FXAWDEMLSA-N 0 3 366.486 3.486 20 30 FGEDHN C=CC1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000111257439 495055430 /nfs/dbraw/zinc/05/54/30/495055430.db2.gz YARWISHWFGSFKS-IBGZPJMESA-N 0 3 358.482 3.265 20 30 FGEDHN N#Cc1cc(F)ccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000133844469 495069607 /nfs/dbraw/zinc/06/96/07/495069607.db2.gz SMOKRWBRSOKCJU-UHFFFAOYSA-N 0 3 352.413 3.267 20 30 FGEDHN C=CC1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000111473890 495080045 /nfs/dbraw/zinc/08/00/45/495080045.db2.gz HAVVIGKZSZXEMN-UHFFFAOYSA-N 0 3 370.541 3.196 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)C(C)C ZINC000101684408 495091390 /nfs/dbraw/zinc/09/13/90/495091390.db2.gz NODJXSNTQXUVJM-KRWDZBQOSA-N 0 3 373.522 3.159 20 30 FGEDHN Cc1nc(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)n[nH]1 ZINC000134116211 495108341 /nfs/dbraw/zinc/10/83/41/495108341.db2.gz MYKMNSBJEJCIQD-OAHLLOKOSA-N 0 3 356.389 3.157 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000123806536 495189706 /nfs/dbraw/zinc/18/97/06/495189706.db2.gz TXQOXTWAMRCWGR-LLVKDONJSA-N 0 3 374.322 3.399 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)N(C)CCC#N ZINC000112526590 495201219 /nfs/dbraw/zinc/20/12/19/495201219.db2.gz VQINIUMHDHRZRB-IAGOWNOFSA-N 0 3 366.465 3.072 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000112536062 495201843 /nfs/dbraw/zinc/20/18/43/495201843.db2.gz KUOWXMKHLGRYLW-OLZOCXBDSA-N 0 3 357.376 3.039 20 30 FGEDHN C[C@@H](N[C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)CCC#N ZINC000112532454 495202403 /nfs/dbraw/zinc/20/24/03/495202403.db2.gz VQGXKQMWKKVYOV-IAGOWNOFSA-N 0 3 366.465 3.072 20 30 FGEDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000103450455 495233699 /nfs/dbraw/zinc/23/36/99/495233699.db2.gz SZWFZUXLZTVDPQ-UHFFFAOYSA-N 0 3 367.449 3.144 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3CCCO3)sc2C1 ZINC000103480671 495241373 /nfs/dbraw/zinc/24/13/73/495241373.db2.gz WFZMOCPXVXXMAZ-KBPBESRZSA-N 0 3 361.511 3.184 20 30 FGEDHN CC[C@@H](OC1CCCC1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000112821138 495244832 /nfs/dbraw/zinc/24/48/32/495244832.db2.gz OZVNDPQLSLZCQS-HXUWFJFHSA-N 0 3 357.498 3.186 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CC(C)(C)OC2(C)C)c1C ZINC000119827313 495250520 /nfs/dbraw/zinc/25/05/20/495250520.db2.gz KWUFBOGZWWALRD-SFHVURJKSA-N 0 3 357.498 3.486 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000119873412 495259429 /nfs/dbraw/zinc/25/94/29/495259429.db2.gz FEFPRAWSZACWKR-JXFKEZNVSA-N 0 3 365.502 3.287 20 30 FGEDHN N#Cc1cccnc1N1CCCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000129651336 495275765 /nfs/dbraw/zinc/27/57/65/495275765.db2.gz PXGVNLOQBHTOGG-UHFFFAOYSA-N 0 3 358.449 3.056 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000113505762 495308234 /nfs/dbraw/zinc/30/82/34/495308234.db2.gz YJGFYJWNLVNCKL-NRFANRHFSA-N 0 3 366.461 3.110 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(Br)c2)CC1 ZINC000106035402 495406071 /nfs/dbraw/zinc/40/60/71/495406071.db2.gz WHJZGDKDFIZGSS-UHFFFAOYSA-N 0 3 351.288 3.148 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000106036082 495405774 /nfs/dbraw/zinc/40/57/74/495405774.db2.gz ZALBSCMZDNVWIC-UHFFFAOYSA-N 0 3 358.873 3.296 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000106038771 495407214 /nfs/dbraw/zinc/40/72/14/495407214.db2.gz PAVMSXVPGPIMBC-OAQYLSRUSA-N 0 3 367.493 3.107 20 30 FGEDHN COCCN(C)CCOc1cccc(CNc2ncc(C#N)cc2Cl)c1 ZINC000114709409 495412840 /nfs/dbraw/zinc/41/28/40/495412840.db2.gz LAUQBJQFRQXHMN-UHFFFAOYSA-N 0 3 374.872 3.176 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2cccc(C#N)c2)c1 ZINC000114925337 495442317 /nfs/dbraw/zinc/44/23/17/495442317.db2.gz XZSHOTBGURIFOM-UHFFFAOYSA-N 0 3 350.466 3.140 20 30 FGEDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000106364276 495449031 /nfs/dbraw/zinc/44/90/31/495449031.db2.gz ORPYWMNSAKFBFS-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN COc1cc2c(cc1OC)CCN(CCOc1ccc(C#N)cc1)CC2 ZINC000138774695 495468046 /nfs/dbraw/zinc/46/80/46/495468046.db2.gz LLDPDZCIXKWSMF-UHFFFAOYSA-N 0 3 352.434 3.055 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115376195 495497516 /nfs/dbraw/zinc/49/75/16/495497516.db2.gz FIWWBUDSAOIRED-IBGZPJMESA-N 0 3 363.461 3.209 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CCN(C3CCCCC3)CC2)c(C#N)c1C ZINC000141746852 495509853 /nfs/dbraw/zinc/50/98/53/495509853.db2.gz HEUSWKXQQMGBPH-HNNXBMFYSA-N 0 3 358.486 3.045 20 30 FGEDHN N#Cc1ccc([C@H](NCCc2c[nH]c3cc(Cl)ccc23)C(N)=O)cc1 ZINC000115598605 495520712 /nfs/dbraw/zinc/52/07/12/495520712.db2.gz DLCVQVIJYOLLSU-SFHVURJKSA-N 0 3 352.825 3.052 20 30 FGEDHN N#Cc1ccc([C@@H](NCCCc2cccc(Br)c2)C(N)=O)cc1 ZINC000115599875 495521143 /nfs/dbraw/zinc/52/11/43/495521143.db2.gz ATEVKOOJPBWHLT-QGZVFWFLSA-N 0 3 372.266 3.070 20 30 FGEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000574511839 505788861 /nfs/dbraw/zinc/78/88/61/505788861.db2.gz AENGYNJFMBERRS-LSDHHAIUSA-N 0 3 361.287 3.309 20 30 FGEDHN N#CCc1cccc(C(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000145700699 495558644 /nfs/dbraw/zinc/55/86/44/495558644.db2.gz ZRDSZUPZINCMTL-UHFFFAOYSA-N 0 3 353.491 3.456 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000577777254 505791647 /nfs/dbraw/zinc/79/16/47/505791647.db2.gz HUPRRQHJAJALGP-IBGZPJMESA-N 0 3 374.868 3.100 20 30 FGEDHN COc1ccccc1N1CC[C@H](NCc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000154407224 495606871 /nfs/dbraw/zinc/60/68/71/495606871.db2.gz RHFMJABFTPZIGX-AEFFLSMTSA-N 0 3 351.450 3.355 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2cc(Br)cs2)CC1 ZINC000170949088 495664473 /nfs/dbraw/zinc/66/44/73/495664473.db2.gz PEHVDDYEIPWBMP-UHFFFAOYSA-N 0 3 357.317 3.210 20 30 FGEDHN CCCO[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182772322 495697854 /nfs/dbraw/zinc/69/78/54/495697854.db2.gz YKYWTZBNVWZJQD-WOJBJXKFSA-N 0 3 355.482 3.335 20 30 FGEDHN C=CCc1cc(CN2CCC(C(=O)NCCCC)CC2)cc(OC)c1O ZINC000154709229 495702764 /nfs/dbraw/zinc/70/27/64/495702764.db2.gz OFWCHLIXSYHRJK-UHFFFAOYSA-N 0 3 360.498 3.258 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734468 495710681 /nfs/dbraw/zinc/71/06/81/495710681.db2.gz SIGQFMMNKVFUGK-QRWLVFNGSA-N 0 3 358.482 3.312 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000179812978 495745703 /nfs/dbraw/zinc/74/57/03/495745703.db2.gz OLGZUKXXHBDFJB-FQEVSTJZSA-N 0 3 353.441 3.461 20 30 FGEDHN C#CCCOc1ccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000179856773 495759760 /nfs/dbraw/zinc/75/97/60/495759760.db2.gz ZRDLJLAJYKRQFY-UHFFFAOYSA-N 0 3 367.449 3.236 20 30 FGEDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173999519 495783006 /nfs/dbraw/zinc/78/30/06/495783006.db2.gz ZJAZDXBIMBCZED-INIZCTEOSA-N 0 3 371.506 3.237 20 30 FGEDHN CN(C(=O)c1ccccc1OCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174049865 495802619 /nfs/dbraw/zinc/80/26/19/495802619.db2.gz LMZKVEOSLCYFAI-LJQANCHMSA-N 0 3 363.461 3.326 20 30 FGEDHN CN(CCNCc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000180111684 495863303 /nfs/dbraw/zinc/86/33/03/495863303.db2.gz YVQBCLGXWJERNP-UHFFFAOYSA-N 0 3 359.477 3.180 20 30 FGEDHN O=C(NCCN[C@H](c1ccc(F)cc1)C1CCCC1)C1N=CC=CC1=O ZINC000180176886 495892304 /nfs/dbraw/zinc/89/23/04/495892304.db2.gz HBXXKDLGKXIGSL-ONNQFXDFSA-N 0 3 357.429 3.173 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000151688230 495919850 /nfs/dbraw/zinc/91/98/50/495919850.db2.gz OGZMATVBJXIRAS-MRXNPFEDSA-N 0 3 355.388 3.231 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC000180286889 495937725 /nfs/dbraw/zinc/93/77/25/495937725.db2.gz INKYGLJXOAGMEL-UHFFFAOYSA-N 0 3 352.482 3.178 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)cc1OC ZINC000155402608 495947126 /nfs/dbraw/zinc/94/71/26/495947126.db2.gz TXCRNLSHYJTRGA-OALUTQOASA-N 0 3 352.434 3.446 20 30 FGEDHN C=CCN1CCC(NC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000171716577 496003478 /nfs/dbraw/zinc/00/34/78/496003478.db2.gz FQDVOBSNQYPFTH-UHFFFAOYSA-N 0 3 365.315 3.493 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccc(OCc3csc(C)n3)c2)CC1 ZINC000171722272 496007461 /nfs/dbraw/zinc/00/74/61/496007461.db2.gz PTROAXBXUCYLBU-UHFFFAOYSA-N 0 3 371.506 3.411 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000174679538 496057861 /nfs/dbraw/zinc/05/78/61/496057861.db2.gz RSCLZWMOIYPLIB-LADGPHEKSA-N 0 3 373.500 3.353 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(Cc3cc(F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000160982487 496079013 /nfs/dbraw/zinc/07/90/13/496079013.db2.gz IDTQNELPJOWVEY-CALCHBBNSA-N 0 3 359.489 3.409 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Br)cc2C)CC1 ZINC000171907777 496087138 /nfs/dbraw/zinc/08/71/38/496087138.db2.gz IUAGOONWFIXISS-UHFFFAOYSA-N 0 3 366.303 3.207 20 30 FGEDHN CN(C[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000155933999 496110767 /nfs/dbraw/zinc/11/07/67/496110767.db2.gz HFTSSIYGHZVUKV-HKUYNNGSSA-N 0 3 373.497 3.171 20 30 FGEDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000186712086 496116508 /nfs/dbraw/zinc/11/65/08/496116508.db2.gz CMAWLLRZNHCJPA-SFHVURJKSA-N 0 3 365.861 3.108 20 30 FGEDHN C[C@H]1C[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)CCN1C ZINC000174873744 496143291 /nfs/dbraw/zinc/14/32/91/496143291.db2.gz JNFZZXVNJLJKMM-IRXDYDNUSA-N 0 3 352.482 3.152 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)CC1 ZINC000172107732 496167411 /nfs/dbraw/zinc/16/74/11/496167411.db2.gz IXHKYNCMCQJDSU-UHFFFAOYSA-N 0 3 372.513 3.215 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3nccc(C)n3)cc2)CC1 ZINC000172117070 496171972 /nfs/dbraw/zinc/17/19/72/496171972.db2.gz NRYFMBNXLZAZNW-UHFFFAOYSA-N 0 3 351.454 3.224 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000183953795 496175758 /nfs/dbraw/zinc/17/57/58/496175758.db2.gz CPBXUNWIRDIVLY-UHFFFAOYSA-N 0 3 365.271 3.050 20 30 FGEDHN COc1ccc(OC)c([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000161654961 496215546 /nfs/dbraw/zinc/21/55/46/496215546.db2.gz OMVDMOTYPUOAID-OAHLLOKOSA-N 0 3 366.465 3.290 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccnc1 ZINC000152753296 496246564 /nfs/dbraw/zinc/24/65/64/496246564.db2.gz BNAGGAHFRLSRRK-UHFFFAOYSA-N 0 3 354.479 3.354 20 30 FGEDHN Cc1nc(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)ccc1C#N ZINC000172312226 496249798 /nfs/dbraw/zinc/24/97/98/496249798.db2.gz JUYQPQJWDITWRT-UHFFFAOYSA-N 0 3 358.829 3.108 20 30 FGEDHN CC(C)(C)OC(=O)[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000156515241 496266365 /nfs/dbraw/zinc/26/63/65/496266365.db2.gz ZYHVIKLMEFWJGI-AWEZNQCLSA-N 0 3 363.483 3.002 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCc2cccc(Cl)c2)cc1 ZINC000580769620 505834491 /nfs/dbraw/zinc/83/44/91/505834491.db2.gz XZFMHNNGJMMYIW-UHFFFAOYSA-N 0 3 362.882 3.208 20 30 FGEDHN CN(C(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1)C1(C#N)CCCCC1 ZINC000181204855 496310657 /nfs/dbraw/zinc/31/06/57/496310657.db2.gz CKOOVVHRWBWTDH-AZUAARDMSA-N 0 3 369.509 3.429 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3ccncc3)C2)c(OC)c1 ZINC000580783811 505838476 /nfs/dbraw/zinc/83/84/76/505838476.db2.gz WJWZCNNMKLQQRX-PMACEKPBSA-N 0 3 368.477 3.048 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)CC1 ZINC000187499201 496467335 /nfs/dbraw/zinc/46/73/35/496467335.db2.gz GGCDWEVPUAJGSK-MRXNPFEDSA-N 0 3 371.403 3.248 20 30 FGEDHN C=CCNc1ncc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)s1 ZINC000153674589 496541188 /nfs/dbraw/zinc/54/11/88/496541188.db2.gz MSRJMBFECWVSOK-UHFFFAOYSA-N 0 3 371.510 3.125 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173115609 496555915 /nfs/dbraw/zinc/55/59/15/496555915.db2.gz QWBLUMKUUZJTGC-HZPDHXFCSA-N 0 3 356.495 3.416 20 30 FGEDHN COc1ccccc1[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000157878905 496575705 /nfs/dbraw/zinc/57/57/05/496575705.db2.gz KBIOSIJZADZFND-OAHLLOKOSA-N 0 3 355.463 3.446 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000173197819 496589208 /nfs/dbraw/zinc/58/92/08/496589208.db2.gz ZCANAXNIOXNVLS-CQSZACIVSA-N 0 3 351.878 3.057 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000173199500 496589888 /nfs/dbraw/zinc/58/98/88/496589888.db2.gz VYPDGCJKDSTCAC-CTNGQTDRSA-N 0 3 371.525 3.412 20 30 FGEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000164580161 496620362 /nfs/dbraw/zinc/62/03/62/496620362.db2.gz OKRVUMIVGRAZAX-HTAPYJJXSA-N 0 3 369.509 3.093 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000176154564 496706958 /nfs/dbraw/zinc/70/69/58/496706958.db2.gz POIDLGFGXXUFOS-NRFANRHFSA-N 0 3 371.525 3.108 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000182314630 496729197 /nfs/dbraw/zinc/72/91/97/496729197.db2.gz JUNJRUPIBYSTEP-UHFFFAOYSA-N 0 3 367.497 3.022 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(CC(F)(F)F)nc1C)C(C)C ZINC000268706813 496764385 /nfs/dbraw/zinc/76/43/85/496764385.db2.gz SODQVQPQHMOPHY-MRXNPFEDSA-N 0 3 372.435 3.182 20 30 FGEDHN CN(CCC#N)C(=O)CCNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191692186 496856734 /nfs/dbraw/zinc/85/67/34/496856734.db2.gz KQZINRULJVHTSE-UHFFFAOYSA-N 0 3 357.376 3.172 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(-c3ccccc3)no2)CC1 ZINC000264353261 496880147 /nfs/dbraw/zinc/88/01/47/496880147.db2.gz DKFKYFSLJGVUAF-UHFFFAOYSA-N 0 3 354.454 3.181 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)CC1 ZINC000264389300 496888778 /nfs/dbraw/zinc/88/87/78/496888778.db2.gz PRBUKZYPDPXVDB-QGZVFWFLSA-N 0 3 365.477 3.265 20 30 FGEDHN N#Cc1c(Cl)nsc1NCc1ccccc1CN1CCC(O)CC1 ZINC000269324768 496919644 /nfs/dbraw/zinc/91/96/44/496919644.db2.gz GKQLKFIHGULCBX-UHFFFAOYSA-N 0 3 362.886 3.237 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000269622773 496979284 /nfs/dbraw/zinc/97/92/84/496979284.db2.gz RGNMVBLTESHXSU-DKRLNXSXSA-N 0 3 360.461 3.308 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)c1ccccc1 ZINC000580971778 505880132 /nfs/dbraw/zinc/88/01/32/505880132.db2.gz JEPWIKDHEIMYTR-GGPKGHCWSA-N 0 3 371.525 3.047 20 30 FGEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000278281826 497062167 /nfs/dbraw/zinc/06/21/67/497062167.db2.gz BTGSQWRKBCJXEI-CYBMUJFWSA-N 0 3 353.388 3.267 20 30 FGEDHN N#CCc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000270372459 497112643 /nfs/dbraw/zinc/11/26/43/497112643.db2.gz VSYDFYMHWXRMFU-QGZVFWFLSA-N 0 3 353.491 3.456 20 30 FGEDHN CCN1CCN(C[C@H](C)CNc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000189444192 497120586 /nfs/dbraw/zinc/12/05/86/497120586.db2.gz GMNNMLXEOCTLGB-QGZVFWFLSA-N 0 3 365.525 3.409 20 30 FGEDHN CN(CCNCc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000278543737 497148604 /nfs/dbraw/zinc/14/86/04/497148604.db2.gz AJOKNMVTXLDXOS-UHFFFAOYSA-N 0 3 374.492 3.080 20 30 FGEDHN C=CCn1c(C)nnc1SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278644219 497177146 /nfs/dbraw/zinc/17/71/46/497177146.db2.gz VPSBHHRGZPKCNU-SFHVURJKSA-N 0 3 358.511 3.156 20 30 FGEDHN C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc2)C[C@@H](C)O1 ZINC000192756661 497205754 /nfs/dbraw/zinc/20/57/54/497205754.db2.gz VBGQJLULDBUEMK-ZTRFORPCSA-N 0 3 355.482 3.108 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000278747436 497207918 /nfs/dbraw/zinc/20/79/18/497207918.db2.gz MHFDKZHXMSZCKV-WOJBJXKFSA-N 0 3 357.498 3.128 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)C1CC1 ZINC000274966558 497208199 /nfs/dbraw/zinc/20/81/99/497208199.db2.gz UYALLHHCEBCZQJ-LJQANCHMSA-N 0 3 354.498 3.232 20 30 FGEDHN C[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1 ZINC000278767584 497213798 /nfs/dbraw/zinc/21/37/98/497213798.db2.gz XYCDXPJIXHVCIU-QGZVFWFLSA-N 0 3 361.449 3.416 20 30 FGEDHN CC[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000278771292 497214981 /nfs/dbraw/zinc/21/49/81/497214981.db2.gz PGSJNKAEPGXPSD-NRFANRHFSA-N 0 3 364.493 3.091 20 30 FGEDHN CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-]C2CC2)cc1 ZINC000266038335 497239766 /nfs/dbraw/zinc/23/97/66/497239766.db2.gz TXFGLLQNSFLGIY-UHFFFAOYSA-O 0 3 371.530 3.302 20 30 FGEDHN C=CCC[C@@H](C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000189911368 497289712 /nfs/dbraw/zinc/28/97/12/497289712.db2.gz KUZCGXQRBVTEAK-FCHUYYIVSA-N 0 3 369.553 3.365 20 30 FGEDHN CC(F)(F)c1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000581066958 505902353 /nfs/dbraw/zinc/90/23/53/505902353.db2.gz OUFFYMFDFHPJII-GOSISDBHSA-N 0 3 360.404 3.394 20 30 FGEDHN C=CCn1c(SC[C@@H](O)CN(C)CC)nnc1-c1cccc(Cl)c1 ZINC000581081472 505905701 /nfs/dbraw/zinc/90/57/01/505905701.db2.gz BCRGHQLFFAUDEU-HNNXBMFYSA-N 0 3 366.918 3.189 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C#N)c1C ZINC000279248370 497381429 /nfs/dbraw/zinc/38/14/29/497381429.db2.gz KXKNUEACBNHUAR-IAOVAPTHSA-N 0 3 359.495 3.112 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000279583693 497478451 /nfs/dbraw/zinc/47/84/51/497478451.db2.gz QVFSQSFNSDDXCX-CZAAIQMYSA-N 0 3 359.429 3.229 20 30 FGEDHN C=CCN(CCc1ccccc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000267081631 497482755 /nfs/dbraw/zinc/48/27/55/497482755.db2.gz SHIKINNAPTYCJL-UHFFFAOYSA-N 0 3 373.541 3.316 20 30 FGEDHN N#Cc1ccc(CN2CCC(N[C@@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000271906098 497484577 /nfs/dbraw/zinc/48/45/77/497484577.db2.gz WRLCHEZUCYZATA-NRFANRHFSA-N 0 3 369.896 3.499 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCC(=O)c3ccccc3)CC2)c1 ZINC000272165224 497553594 /nfs/dbraw/zinc/55/35/94/497553594.db2.gz ZJUVJYQVWXDDNX-UHFFFAOYSA-N 0 3 361.445 3.482 20 30 FGEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000272313011 497592725 /nfs/dbraw/zinc/59/27/25/497592725.db2.gz UCYUSCHAZUVSSB-CQSZACIVSA-N 0 3 355.463 3.270 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CCN(CC)CC1 ZINC000276533170 497594161 /nfs/dbraw/zinc/59/41/61/497594161.db2.gz WPAJIPJDFCSESZ-UHFFFAOYSA-N 0 3 357.498 3.078 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000267771597 497614450 /nfs/dbraw/zinc/61/44/50/497614450.db2.gz SWVGQGWTCTWFMC-UHFFFAOYSA-N 0 3 358.467 3.224 20 30 FGEDHN Cc1cc(-n2cncn2)ccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190900881 497639024 /nfs/dbraw/zinc/63/90/24/497639024.db2.gz OAAQYWZSIGOBSZ-MRXNPFEDSA-N 0 3 354.373 3.009 20 30 FGEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000246157766 497640602 /nfs/dbraw/zinc/64/06/02/497640602.db2.gz DROVVZOCWWAMAT-WMLDXEAASA-N 0 3 367.415 3.039 20 30 FGEDHN COc1ccc(C[C@@H](C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000280234484 497690101 /nfs/dbraw/zinc/69/01/01/497690101.db2.gz WGOZZOADPOTWMY-OXQOHEQNSA-N 0 3 361.445 3.244 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000272666133 497695090 /nfs/dbraw/zinc/69/50/90/497695090.db2.gz IZJCTPSQBIUIEP-AEFFLSMTSA-N 0 3 364.449 3.373 20 30 FGEDHN Cc1nnc([C@@H]2CCCN(Cc3cc(C#N)ccc3Br)C2)[nH]1 ZINC000276947175 497696231 /nfs/dbraw/zinc/69/62/31/497696231.db2.gz TVEINUPLMJKPEQ-CYBMUJFWSA-N 0 3 360.259 3.127 20 30 FGEDHN CCCOc1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280281561 497706808 /nfs/dbraw/zinc/70/68/08/497706808.db2.gz YWJDSPPWXVACGM-FQEVSTJZSA-N 0 3 361.445 3.388 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-n3cccn3)ccc2C)CC1 ZINC000191264405 497761521 /nfs/dbraw/zinc/76/15/21/497761521.db2.gz QDUYPQDQEXANQC-UHFFFAOYSA-N 0 3 353.470 3.343 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000280575390 497792238 /nfs/dbraw/zinc/79/22/38/497792238.db2.gz VTHDEMIANUNXMW-VQTJNVASSA-N 0 3 361.420 3.471 20 30 FGEDHN CN(C)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000575152023 505931365 /nfs/dbraw/zinc/93/13/65/505931365.db2.gz IFRPUYFDKVEEFH-IBGZPJMESA-N 0 3 371.481 3.350 20 30 FGEDHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000329544572 497824928 /nfs/dbraw/zinc/82/49/28/497824928.db2.gz GCUOQNLJDHKFLM-TZMCWYRMSA-N 0 3 360.845 3.338 20 30 FGEDHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000329544572 497824932 /nfs/dbraw/zinc/82/49/32/497824932.db2.gz GCUOQNLJDHKFLM-TZMCWYRMSA-N 0 3 360.845 3.338 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)CSc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000575209197 505943049 /nfs/dbraw/zinc/94/30/49/505943049.db2.gz OPWWEWQPXVZSTC-OXQOHEQNSA-N 0 3 365.502 3.430 20 30 FGEDHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329787599 497901681 /nfs/dbraw/zinc/90/16/81/497901681.db2.gz RGLKXDJQXCYWHF-SLFFLAALSA-N 0 3 358.482 3.181 20 30 FGEDHN CN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)C1(C#N)CCCCC1 ZINC000329815690 497912502 /nfs/dbraw/zinc/91/25/02/497912502.db2.gz NXKOQGVSPVGRKB-OTWHNJEPSA-N 0 3 361.530 3.077 20 30 FGEDHN CCN1CCC(NC(=O)CN2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC000329834374 497919824 /nfs/dbraw/zinc/91/98/24/497919824.db2.gz UMRZEBJMHHZOJN-IBGZPJMESA-N 0 3 369.513 3.151 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cccc(F)c1C#N ZINC000364411723 497943742 /nfs/dbraw/zinc/94/37/42/497943742.db2.gz BTGOAJRHKLRSDI-UHFFFAOYSA-N 0 3 352.413 3.081 20 30 FGEDHN CC(C)(C)c1ncsc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000329962522 497971172 /nfs/dbraw/zinc/97/11/72/497971172.db2.gz PIQXRPCYGYFWCK-UHFFFAOYSA-N 0 3 351.516 3.390 20 30 FGEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000285017361 497971492 /nfs/dbraw/zinc/97/14/92/497971492.db2.gz GSWPENDBTVZXAS-SJLPKXTDSA-N 0 3 366.461 3.255 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)[N-]C2CCC2)c1 ZINC000292356668 497984304 /nfs/dbraw/zinc/98/43/04/497984304.db2.gz QOAZSEQPEFUJSV-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(CC#N)cc1 ZINC000578526945 505961487 /nfs/dbraw/zinc/96/14/87/505961487.db2.gz UBVHUXGFERYEAN-UHFFFAOYSA-N 0 3 368.456 3.165 20 30 FGEDHN CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1ccn(C2CCCC2)n1 ZINC000330043739 498001352 /nfs/dbraw/zinc/00/13/52/498001352.db2.gz CMPTZKGARMDJTK-ZDUSSCGKSA-N 0 3 353.488 3.201 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285144257 498006112 /nfs/dbraw/zinc/00/61/12/498006112.db2.gz AYDZXIBJUMWMSF-UHFFFAOYSA-N 0 3 357.845 3.317 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2)CC1 ZINC000285200027 498019773 /nfs/dbraw/zinc/01/97/73/498019773.db2.gz LKQTYJYVARSTRY-UHFFFAOYSA-N 0 3 364.449 3.353 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(-c3ccccc3)on2)cc1 ZINC000578564191 505968634 /nfs/dbraw/zinc/96/86/34/505968634.db2.gz LDXHJJKQSGPJQO-SFHVURJKSA-N 0 3 356.385 3.212 20 30 FGEDHN CC(C)[C@@H](CNc1c(C#N)cnc2ccc(Cl)cc21)N1CCN(C)CC1 ZINC000301334447 498061778 /nfs/dbraw/zinc/06/17/78/498061778.db2.gz CLTVGBALVPAMBS-LJQANCHMSA-N 0 3 371.916 3.444 20 30 FGEDHN Cc1ccccc1CC(C)(C)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000330208782 498062149 /nfs/dbraw/zinc/06/21/49/498062149.db2.gz HBFDBABSSUKKCY-UHFFFAOYSA-N 0 3 369.513 3.227 20 30 FGEDHN CN(CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@H]1O ZINC000330220571 498067695 /nfs/dbraw/zinc/06/76/95/498067695.db2.gz KXJXLVVLIZPUEG-QXIYBXNSSA-N 0 3 363.502 3.061 20 30 FGEDHN Cc1nc(CN2CCC(CNC(=O)[C@H]3CCCN3C3CC3)CC2)oc1C ZINC000330223624 498068785 /nfs/dbraw/zinc/06/87/85/498068785.db2.gz NEMDPZWHOBUGFE-GOSISDBHSA-N 0 3 360.502 3.087 20 30 FGEDHN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000330439875 498133780 /nfs/dbraw/zinc/13/37/80/498133780.db2.gz OJDRCHKBSNLAQC-ULQDDVLXSA-N 0 3 353.894 3.404 20 30 FGEDHN C[C@H](CNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)N1CCC(C)CC1 ZINC000330487743 498140880 /nfs/dbraw/zinc/14/08/80/498140880.db2.gz GZNLPAAIMVDFNO-MRXNPFEDSA-N 0 3 367.534 3.075 20 30 FGEDHN C=CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000581517077 506005552 /nfs/dbraw/zinc/00/55/52/506005552.db2.gz NLCXAMJOESDGTG-QGZVFWFLSA-N 0 3 357.889 3.457 20 30 FGEDHN CC(C)NC(=O)NC1(C(=O)Nc2cccc(CN(C)C)c2)CCCCC1 ZINC000330972332 498227935 /nfs/dbraw/zinc/22/79/35/498227935.db2.gz KFWMWWLNGCEYFB-UHFFFAOYSA-N 0 3 360.502 3.302 20 30 FGEDHN COc1cc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000281659505 498228336 /nfs/dbraw/zinc/22/83/36/498228336.db2.gz KOSHYSSPJYDWMA-AWEZNQCLSA-N 0 3 351.406 3.374 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CNCc2cc3ccccc3[nH]2)c(OC)c1 ZINC000572595035 506007481 /nfs/dbraw/zinc/00/74/81/506007481.db2.gz PWQDWRILEQIKCX-IBGZPJMESA-N 0 3 366.461 3.435 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCCN(c2ccccc2)CC1 ZINC000360589270 498289230 /nfs/dbraw/zinc/28/92/30/498289230.db2.gz ZQOXXDWKFVUYEA-UHFFFAOYSA-N 0 3 354.479 3.161 20 30 FGEDHN C=CCN1CCC(NC(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000575794916 506006214 /nfs/dbraw/zinc/00/62/14/506006214.db2.gz NHGCCZHEQNKPHN-INIZCTEOSA-N 0 3 369.431 3.357 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297221837 498364358 /nfs/dbraw/zinc/36/43/58/498364358.db2.gz WARZDEJAMNKKHQ-LBPRGKRZSA-N 0 3 362.421 3.005 20 30 FGEDHN CSC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN(C)CC1 ZINC000578805517 506024354 /nfs/dbraw/zinc/02/43/54/506024354.db2.gz SIGFRGQNKYMPAX-UHFFFAOYSA-N 0 3 360.527 3.437 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2Nc2ccc(Cl)c(C#N)n2)C1 ZINC000302185857 498432660 /nfs/dbraw/zinc/43/26/60/498432660.db2.gz UCKWHUXDYKRRJC-UHFFFAOYSA-N 0 3 356.857 3.479 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000361998789 498451347 /nfs/dbraw/zinc/45/13/47/498451347.db2.gz UHZJOTMXABPVMP-UHFFFAOYSA-N 0 3 352.442 3.193 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000293768281 498481294 /nfs/dbraw/zinc/48/12/94/498481294.db2.gz YHUJLKABJJJCHY-UHFFFAOYSA-N 0 3 368.403 3.310 20 30 FGEDHN C=C(C)CN1CCC(NCc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000286704606 498482537 /nfs/dbraw/zinc/48/25/37/498482537.db2.gz WMPBFQMOLHZNTF-UHFFFAOYSA-N 0 3 359.905 3.359 20 30 FGEDHN N#Cc1c(F)ccc(CNC2CCN(C(=O)c3ccncc3)CC2)c1Cl ZINC000365478328 498488955 /nfs/dbraw/zinc/48/89/55/498488955.db2.gz QDPSXKUDQHEPRF-UHFFFAOYSA-N 0 3 372.831 3.140 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCC(C)(F)F ZINC000297556977 498491513 /nfs/dbraw/zinc/49/15/13/498491513.db2.gz KGDZIGFANSGLPP-UHFFFAOYSA-N 0 3 352.429 3.067 20 30 FGEDHN C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1CC(C)(C)O ZINC000302501228 498496235 /nfs/dbraw/zinc/49/62/35/498496235.db2.gz ONOJEBUBEPTXFK-CYBMUJFWSA-N 0 3 358.873 3.041 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 ZINC000569920071 506047539 /nfs/dbraw/zinc/04/75/39/506047539.db2.gz WHRBPPVCQNORBW-UHFFFAOYSA-N 0 3 364.497 3.313 20 30 FGEDHN CCN1C[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)C1 ZINC000332012125 498532837 /nfs/dbraw/zinc/53/28/37/498532837.db2.gz XNTZMARKRFIMRI-GJZGRUSLSA-N 0 3 374.554 3.242 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000332189765 498594456 /nfs/dbraw/zinc/59/44/56/498594456.db2.gz GDNZPTZHJDBFFP-KFWWJZLASA-N 0 3 361.467 3.026 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC(C)(C)C2CC2)cc1 ZINC000297929316 498613273 /nfs/dbraw/zinc/61/32/73/498613273.db2.gz VKAHWOQBUUOGFH-CYBMUJFWSA-N 0 3 363.483 3.320 20 30 FGEDHN CCCc1c(NC(=O)CC2CCN(C)CC2)cnn1-c1cccc(C#N)c1 ZINC000365995795 498724348 /nfs/dbraw/zinc/72/43/48/498724348.db2.gz HHFMEGOFOJXULF-UHFFFAOYSA-N 0 3 365.481 3.367 20 30 FGEDHN CCN(CC)C(=O)C1(NCCC(=O)Nc2ccccc2C#N)CCCCC1 ZINC000298651976 498838931 /nfs/dbraw/zinc/83/89/31/498838931.db2.gz QKXADBOWSGWHJW-UHFFFAOYSA-N 0 3 370.497 3.048 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000327333462 498855809 /nfs/dbraw/zinc/85/58/09/498855809.db2.gz CAKBZBIDISUECJ-MRXNPFEDSA-N 0 3 350.340 3.107 20 30 FGEDHN O=C(NCCN1CCC2(CCCCC2)CC1)c1cnc2ccccn2c1=O ZINC000328700281 498905835 /nfs/dbraw/zinc/90/58/35/498905835.db2.gz IOPNWDBOLOKMJT-UHFFFAOYSA-N 0 3 368.481 3.045 20 30 FGEDHN Cc1nc(-c2ccc(NC(=O)NC3CC[NH+](C(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000328767984 498931190 /nfs/dbraw/zinc/93/11/90/498931190.db2.gz BNENUSXOMMVTKD-UHFFFAOYSA-N 0 3 369.469 3.356 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000328803349 498943013 /nfs/dbraw/zinc/94/30/13/498943013.db2.gz CLWRMVMKRSSKRW-HXUWFJFHSA-N 0 3 369.509 3.299 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328831601 498953777 /nfs/dbraw/zinc/95/37/77/498953777.db2.gz LCCSMARBXSWMJT-IEBWSBKVSA-N 0 3 355.482 3.070 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000579209160 506119520 /nfs/dbraw/zinc/11/95/20/506119520.db2.gz CZELUDGFTMOGLR-UHFFFAOYSA-N 0 3 373.840 3.413 20 30 FGEDHN C#CCCCNC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000366571948 498983908 /nfs/dbraw/zinc/98/39/08/498983908.db2.gz NNYHLSKNCYZIPA-IBGZPJMESA-N 0 3 365.481 3.173 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329056158 499028153 /nfs/dbraw/zinc/02/81/53/499028153.db2.gz SMRGDJBYTBOKIH-IEZWGBDMSA-N 0 3 363.477 3.281 20 30 FGEDHN CN1CC=C(CNC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000329224509 499076796 /nfs/dbraw/zinc/07/67/96/499076796.db2.gz ZVDUHJHWBAONTP-UHFFFAOYSA-N 0 3 374.529 3.067 20 30 FGEDHN C=C(CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1ccccc1 ZINC000291885512 499092845 /nfs/dbraw/zinc/09/28/45/499092845.db2.gz OQMZXJGGIYVDMI-UHFFFAOYSA-N 0 3 364.489 3.334 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329328561 499100590 /nfs/dbraw/zinc/10/05/90/499100590.db2.gz UYUOJDMTADASQU-AZUAARDMSA-N 0 3 355.482 3.048 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cnc1N1CCCC[C@@H]1C ZINC000329334806 499102065 /nfs/dbraw/zinc/10/20/65/499102065.db2.gz KWVYALCIZLZNOM-HKUYNNGSSA-N 0 3 369.513 3.260 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cnc1N1CCCC[C@H]1C ZINC000329334807 499102114 /nfs/dbraw/zinc/10/21/14/499102114.db2.gz KWVYALCIZLZNOM-IEBWSBKVSA-N 0 3 369.513 3.260 20 30 FGEDHN N#Cc1ccc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)nc1 ZINC000570291094 506134637 /nfs/dbraw/zinc/13/46/37/506134637.db2.gz HLODMATZNKOEPD-GOSISDBHSA-N 0 3 361.367 3.463 20 30 FGEDHN O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@H]1C1CCOCC1 ZINC000329395101 499114152 /nfs/dbraw/zinc/11/41/52/499114152.db2.gz WXAGGCDTUFODSD-FQEVSTJZSA-N 0 3 372.513 3.103 20 30 FGEDHN C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC12CCC2 ZINC000329462011 499124885 /nfs/dbraw/zinc/12/48/85/499124885.db2.gz PXVUEPULDYHXEJ-YLJYHZDGSA-N 0 3 371.525 3.179 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000329537300 499129522 /nfs/dbraw/zinc/12/95/22/499129522.db2.gz BMSAIKQIKCOFPN-QUCCMNQESA-N 0 3 371.525 3.459 20 30 FGEDHN CN(C(=O)c1ccc(NCc2ccc(C#N)cc2)cc1)[C@@H]1CCCN(C)C1 ZINC000367069626 499143584 /nfs/dbraw/zinc/14/35/84/499143584.db2.gz XMQKFRMALZLKKS-OAQYLSRUSA-N 0 3 362.477 3.337 20 30 FGEDHN N#CCCCOc1cccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000369965729 499158814 /nfs/dbraw/zinc/15/88/14/499158814.db2.gz RLWCRWQZBOGXFE-LJQANCHMSA-N 0 3 358.482 3.387 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000372852038 499184297 /nfs/dbraw/zinc/18/42/97/499184297.db2.gz MJMWBFCJFVIXFX-UXHICEINSA-N 0 3 365.864 3.070 20 30 FGEDHN Cc1csc(N2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1 ZINC000367475202 499203507 /nfs/dbraw/zinc/20/35/07/499203507.db2.gz UDJAKGGSUGLZPU-MRXNPFEDSA-N 0 3 356.495 3.455 20 30 FGEDHN CN1CC[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1cccs1 ZINC000370327677 499209955 /nfs/dbraw/zinc/20/99/55/499209955.db2.gz WFTCYRWIBJFRKM-SJCJKPOMSA-N 0 3 361.417 3.321 20 30 FGEDHN CN1CC[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000370327678 499210069 /nfs/dbraw/zinc/21/00/69/499210069.db2.gz WFTCYRWIBJFRKM-SJKOYZFVSA-N 0 3 361.417 3.321 20 30 FGEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1C#N ZINC000368221574 499275551 /nfs/dbraw/zinc/27/55/51/499275551.db2.gz IXCPSPYXZIOKNU-PNHOKKKMSA-N 0 3 366.440 3.059 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2Cl)C12CCOCC2 ZINC000368463674 499298425 /nfs/dbraw/zinc/29/84/25/499298425.db2.gz WUPDXMCFFJDBGH-HZPDHXFCSA-N 0 3 352.837 3.415 20 30 FGEDHN Cn1cc(CNCc2cccc(-c3nc[nH]n3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000371539277 499339520 /nfs/dbraw/zinc/33/95/20/499339520.db2.gz OMHCMWBRBZQJTJ-UHFFFAOYSA-N 0 3 369.432 3.034 20 30 FGEDHN N#Cc1ccc(NC[C@H]2CCCN(Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000369176814 499374674 /nfs/dbraw/zinc/37/46/74/499374674.db2.gz LMLDWYKZIGIUJI-QGZVFWFLSA-N 0 3 351.410 3.186 20 30 FGEDHN N#CCC[C@@H](NC(=O)c1cnn(CCN2CCCCC2)c1)c1ccccc1 ZINC000372129956 499401670 /nfs/dbraw/zinc/40/16/70/499401670.db2.gz DKYAPHQTBUTOSE-HXUWFJFHSA-N 0 3 365.481 3.144 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCO[C@@H]3CCC[C@@H]31)CCC2 ZINC000369458982 499405298 /nfs/dbraw/zinc/40/52/98/499405298.db2.gz SSTSLRCFTMBJHZ-JKSUJKDBSA-N 0 3 359.495 3.080 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@]3(C2)OCc2ccccc23)CC1 ZINC000372240155 499411953 /nfs/dbraw/zinc/41/19/53/499411953.db2.gz GZWGEFIHQQLMRE-JOCHJYFZSA-N 0 3 369.509 3.258 20 30 FGEDHN CO/N=C/c1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)cc1 ZINC000369552290 499416512 /nfs/dbraw/zinc/41/65/12/499416512.db2.gz VGUJAFJOQQXHQG-KPNLZQIISA-N 0 3 357.479 3.151 20 30 FGEDHN C=C[C@H](CC(=O)N1CCC(CCN2CCN(C)CC2)CC1)c1ccccc1 ZINC000372291352 499417103 /nfs/dbraw/zinc/41/71/03/499417103.db2.gz JLUASDZILFLYRJ-OAQYLSRUSA-N 0 3 369.553 3.222 20 30 FGEDHN CN1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000369572763 499420520 /nfs/dbraw/zinc/42/05/20/499420520.db2.gz CHYKAYZLIDUJFB-PXNSSMCTSA-N 0 3 353.491 3.362 20 30 FGEDHN COc1ccc([C@H]2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)cc1 ZINC000373407736 499467989 /nfs/dbraw/zinc/46/79/89/499467989.db2.gz ZTOJOMCKNNVQSQ-VQTJNVASSA-N 0 3 359.429 3.265 20 30 FGEDHN Cc1ccc(N2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000373414829 499468438 /nfs/dbraw/zinc/46/84/38/499468438.db2.gz XHEBFGSPZNBKGS-NRFANRHFSA-N 0 3 372.472 3.288 20 30 FGEDHN Cc1nc2c(s1)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000373500282 499473474 /nfs/dbraw/zinc/47/34/74/499473474.db2.gz CYAGZEWTWULRTE-NVXWUHKLSA-N 0 3 350.447 3.199 20 30 FGEDHN N#CC[C@H](CC(=O)Nc1cnn(CCN2CCCCC2)c1)c1ccccc1 ZINC000373572406 499477579 /nfs/dbraw/zinc/47/75/79/499477579.db2.gz CEJCMUGFGIKAPO-LJQANCHMSA-N 0 3 365.481 3.395 20 30 FGEDHN COc1cccc(N2C[C@H](N[C@@H](C)c3ccc(OCC#N)cc3)CC2=O)c1 ZINC000378450810 499518356 /nfs/dbraw/zinc/51/83/56/499518356.db2.gz INXOUMRJDLAYEM-DOTOQJQBSA-N 0 3 365.433 3.054 20 30 FGEDHN N#Cc1ccc(OC2CCN(CCCO[C@@H]3CCCCO3)CC2)c(F)c1 ZINC000375756836 499551937 /nfs/dbraw/zinc/55/19/37/499551937.db2.gz XIQUZEXFMGRRNI-HXUWFJFHSA-N 0 3 362.445 3.474 20 30 FGEDHN Cc1cc(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)ccc1C#N ZINC000573240919 506150845 /nfs/dbraw/zinc/15/08/45/506150845.db2.gz HJUVOEBFJLZBNO-MRXNPFEDSA-N 0 3 353.388 3.290 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCCN(c3ccncn3)C2)cc1 ZINC000376463418 499610465 /nfs/dbraw/zinc/61/04/65/499610465.db2.gz MHZBJMIWQYODJD-PKOBYXMFSA-N 0 3 351.454 3.089 20 30 FGEDHN CN(C(=O)NCC(C)(C)CCC#N)C1CCN(CCc2ccncc2)CC1 ZINC000377040383 499656375 /nfs/dbraw/zinc/65/63/75/499656375.db2.gz CLVSUXGJOBGWPV-UHFFFAOYSA-N 0 3 371.529 3.060 20 30 FGEDHN COC(=O)c1ccc(N2CCN(C3CCC(C(C)C)CC3)CC2)c(C#N)n1 ZINC000582191711 506155411 /nfs/dbraw/zinc/15/54/11/506155411.db2.gz IOFGWIREMLUREM-UHFFFAOYSA-N 0 3 370.497 3.077 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)Nc2cnc(C#N)c(Cl)c2)[C@H](C(F)(F)F)C1 ZINC000411034972 499691472 /nfs/dbraw/zinc/69/14/72/499691472.db2.gz UAJRUDOJBCLZDF-GHMZBOCLSA-N 0 3 374.794 3.454 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411173419 499706594 /nfs/dbraw/zinc/70/65/94/499706594.db2.gz MEKKDLRFPLEHPK-UHFFFAOYSA-N 0 3 365.477 3.210 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000377743243 499727586 /nfs/dbraw/zinc/72/75/86/499727586.db2.gz PBDCCCHVHJBVGE-VHDGCEQUSA-N 0 3 368.403 3.273 20 30 FGEDHN O[C@@H](CNCC#Cc1cccc(F)c1)Cc1ccccc1C(F)(F)F ZINC000570391076 506157418 /nfs/dbraw/zinc/15/74/18/506157418.db2.gz SLCZMNJYYHOGQY-QGZVFWFLSA-N 0 3 351.343 3.389 20 30 FGEDHN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411399621 499734803 /nfs/dbraw/zinc/73/48/03/499734803.db2.gz HDPCAOFSSJUVAG-UHFFFAOYSA-N 0 3 372.513 3.174 20 30 FGEDHN N#Cc1cccc(C2(NCCC(=O)NCc3ccccc3Cl)CC2)c1 ZINC000411474613 499745228 /nfs/dbraw/zinc/74/52/28/499745228.db2.gz YMDQBRSASCDHRA-UHFFFAOYSA-N 0 3 353.853 3.497 20 30 FGEDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000378167302 499761805 /nfs/dbraw/zinc/76/18/05/499761805.db2.gz HCALRYLJWUIIHH-HXUWFJFHSA-N 0 3 354.542 3.088 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000414131202 499763316 /nfs/dbraw/zinc/76/33/16/499763316.db2.gz KLMKJSNFPHXGDF-IPMKNSEASA-N 0 3 369.509 3.231 20 30 FGEDHN N#CC1(CCCN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CCOCC1 ZINC000411980084 499809200 /nfs/dbraw/zinc/80/92/00/499809200.db2.gz IPFLFIZYMOUCPD-NRFANRHFSA-N 0 3 354.450 3.197 20 30 FGEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000412680712 499875036 /nfs/dbraw/zinc/87/50/36/499875036.db2.gz ZZVZDBOZSFGKCR-WOJBJXKFSA-N 0 3 369.509 3.114 20 30 FGEDHN N#CCc1ccc(NC(=O)NC[C@@H]2NCCc3ccccc32)c(Cl)c1 ZINC000415791346 499919073 /nfs/dbraw/zinc/91/90/73/499919073.db2.gz UODMFGAHZQMQCY-SFHVURJKSA-N 0 3 354.841 3.415 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)CC1 ZINC000413247719 499932235 /nfs/dbraw/zinc/93/22/35/499932235.db2.gz VWLWRUNLDJMJQD-HNNXBMFYSA-N 0 3 372.488 3.198 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000416091620 499947415 /nfs/dbraw/zinc/94/74/15/499947415.db2.gz AJMKCWJIGHTPHX-TZIWHRDSSA-N 0 3 354.413 3.306 20 30 FGEDHN CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C(C)(C)CN1CCCC1 ZINC000416113430 499949900 /nfs/dbraw/zinc/94/99/00/499949900.db2.gz YXAOQSPUDJXBAT-UHFFFAOYSA-N 0 3 352.438 3.160 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416140716 499955649 /nfs/dbraw/zinc/95/56/49/499955649.db2.gz VVXQDRSSVRKJFJ-OAQYLSRUSA-N 0 3 365.477 3.226 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429020770 499984643 /nfs/dbraw/zinc/98/46/43/499984643.db2.gz NZOMSXNVMGXVTE-GPINWOSQSA-N 0 3 374.916 3.201 20 30 FGEDHN N#Cc1ccc(C2(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC2)cc1 ZINC000424999901 499987583 /nfs/dbraw/zinc/98/75/83/499987583.db2.gz ALOVTOKNNFUARP-RBBKRZOGSA-N 0 3 371.484 3.323 20 30 FGEDHN N#Cc1cc(F)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(F)c1 ZINC000425001055 499988475 /nfs/dbraw/zinc/98/84/75/499988475.db2.gz CSRGNFFSRDCUOJ-QFBILLFUSA-N 0 3 367.399 3.183 20 30 FGEDHN COc1cc(NC(=O)c2cccc(C#N)c2C)ccc1OCCN(C)C ZINC000416333098 500018218 /nfs/dbraw/zinc/01/82/18/500018218.db2.gz KDDFBDAITZJBLA-UHFFFAOYSA-N 0 3 353.422 3.068 20 30 FGEDHN CN1CCC(Oc2ccc(CNCc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421353956 500023903 /nfs/dbraw/zinc/02/39/03/500023903.db2.gz GPWSDQNKUOKKOY-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN C=C(C)CNC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000429314623 500050222 /nfs/dbraw/zinc/05/02/22/500050222.db2.gz DAYRXVBKNCEZKQ-SFHVURJKSA-N 0 3 353.470 3.336 20 30 FGEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425236221 500052746 /nfs/dbraw/zinc/05/27/46/500052746.db2.gz POCCPFDHQHMYRU-QGZVFWFLSA-N 0 3 350.422 3.425 20 30 FGEDHN CSC1(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCN(C)CC1 ZINC000416728479 500099045 /nfs/dbraw/zinc/09/90/45/500099045.db2.gz PVFKRHHVGLWUTE-GOSISDBHSA-N 0 3 372.538 3.062 20 30 FGEDHN CCN(CCOc1ccccc1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000421658262 500108288 /nfs/dbraw/zinc/10/82/88/500108288.db2.gz RYZGIEIPLRLGRN-HXUWFJFHSA-N 0 3 361.445 3.476 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425445177 500108815 /nfs/dbraw/zinc/10/88/15/500108815.db2.gz OUDLYIVGQQDWHS-MRXNPFEDSA-N 0 3 372.513 3.150 20 30 FGEDHN COc1cccc(COC[C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425534890 500136491 /nfs/dbraw/zinc/13/64/91/500136491.db2.gz MLRSVSRPRDDQEK-OXQOHEQNSA-N 0 3 354.450 3.137 20 30 FGEDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@@H]2C1 ZINC000425684933 500181051 /nfs/dbraw/zinc/18/10/51/500181051.db2.gz XTSWTHCMMDXJRD-WMLDXEAASA-N 0 3 356.470 3.293 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(C#N)s1)N(C)C ZINC000422211467 500234863 /nfs/dbraw/zinc/23/48/63/500234863.db2.gz WLMDUODOISNANM-KSSFIOAISA-N 0 3 356.495 3.419 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)[C@@H]2CCCC[C@H]2O)c1 ZINC000426214179 500248344 /nfs/dbraw/zinc/24/83/44/500248344.db2.gz FBSNXFIEOSCVKO-DFQSSKMNSA-N 0 3 357.498 3.174 20 30 FGEDHN C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC1(CC#N)CC1 ZINC000430745529 500279015 /nfs/dbraw/zinc/27/90/15/500279015.db2.gz ZPFFIGHDEQJZGF-LBPRGKRZSA-N 0 3 350.260 3.450 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)ccc1OC ZINC000431713153 500413411 /nfs/dbraw/zinc/41/34/11/500413411.db2.gz URJFZHMLUUEFHX-GHTZIAJQSA-N 0 3 371.481 3.312 20 30 FGEDHN C=CCN1C(=O)N(C2CCN(C3CCC3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000420045135 500416773 /nfs/dbraw/zinc/41/67/73/500416773.db2.gz UNXGCMOFWJJGKG-HXUWFJFHSA-N 0 3 367.493 3.065 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)c1ncc(C#N)cc1Cl)c1ccsc1 ZINC000427909100 500444450 /nfs/dbraw/zinc/44/44/50/500444450.db2.gz QXJLGIPJAMDJPO-OAHLLOKOSA-N 0 3 362.886 3.481 20 30 FGEDHN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424102869 500453292 /nfs/dbraw/zinc/45/32/92/500453292.db2.gz CFAMZACCORORJS-UXHICEINSA-N 0 3 369.440 3.255 20 30 FGEDHN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424107567 500454499 /nfs/dbraw/zinc/45/44/99/500454499.db2.gz ZELXMCMKOOXNSF-QGZVFWFLSA-N 0 3 356.470 3.017 20 30 FGEDHN CC(C)Oc1ccc(CNC(=O)[C@H](N)CCCC#N)c(C(F)(F)F)c1 ZINC000424110122 500455105 /nfs/dbraw/zinc/45/51/05/500455105.db2.gz BZWXPIRASAFCQN-OAHLLOKOSA-N 0 3 357.376 3.130 20 30 FGEDHN C=CCn1c(CC2CC2)nnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424147517 500460186 /nfs/dbraw/zinc/46/01/86/500460186.db2.gz YCTLHVZVFMSGCN-VQTJNVASSA-N 0 3 363.509 3.127 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000424178895 500463699 /nfs/dbraw/zinc/46/36/99/500463699.db2.gz XUSFJFPHCTYQFN-MRXNPFEDSA-N 0 3 364.287 3.176 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(Br)cc(OC)cc1OC ZINC000424179532 500463969 /nfs/dbraw/zinc/46/39/69/500463969.db2.gz YSSDBRSGSSOZPO-NHYWBVRUSA-N 0 3 356.260 3.147 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000424189213 500465695 /nfs/dbraw/zinc/46/56/95/500465695.db2.gz MAAJNPNZXJQTON-WMZOPIPTSA-N 0 3 351.454 3.151 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CC[C@H]2O)cc1OCC ZINC000424203166 500468237 /nfs/dbraw/zinc/46/82/37/500468237.db2.gz QWAOCZLRVDWAHV-ZIAGYGMSSA-N 0 3 356.260 3.026 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000582380061 506198856 /nfs/dbraw/zinc/19/88/56/506198856.db2.gz MUQZLZWMMBZXPO-DYESRHJHSA-N 0 3 359.473 3.369 20 30 FGEDHN CN(C)c1cc(C#N)cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000432605074 500537649 /nfs/dbraw/zinc/53/76/49/500537649.db2.gz WJYQVUBAUIKEKM-NRFANRHFSA-N 0 3 362.477 3.191 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(OC)c1 ZINC000428715628 500547548 /nfs/dbraw/zinc/54/75/48/500547548.db2.gz GSPUJDMNYOLSGI-LZQZEXGQSA-N 0 3 367.436 3.141 20 30 FGEDHN C=CCCn1cc(C(=O)N(CC)[C@H]2CCN([C@@H](C)c3ccccc3)C2)nn1 ZINC000424721983 500550430 /nfs/dbraw/zinc/55/04/30/500550430.db2.gz MWROPTMBLFLDQO-HKUYNNGSSA-N 0 3 367.497 3.152 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000421023407 500556811 /nfs/dbraw/zinc/55/68/11/500556811.db2.gz PRUAJEGBKCGBCE-WBVHZDCISA-N 0 3 371.481 3.187 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433015434 500606883 /nfs/dbraw/zinc/60/68/83/500606883.db2.gz KISAUORPDCSRQP-NZSAHSFTSA-N 0 3 370.497 3.416 20 30 FGEDHN C[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180893 500640631 /nfs/dbraw/zinc/64/06/31/500640631.db2.gz WGODIAGFHYOQLP-HNAYVOBHSA-N 0 3 369.896 3.281 20 30 FGEDHN N#C[C@H](CCc1ccccc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000433217424 500649206 /nfs/dbraw/zinc/64/92/06/500649206.db2.gz AYWICYOADXURIB-NRFANRHFSA-N 0 3 361.489 3.324 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443030084 500665914 /nfs/dbraw/zinc/66/59/14/500665914.db2.gz YSMJOGHIHJNNHI-ZDUSSCGKSA-N 0 3 369.918 3.000 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H](C#N)CCc2ccccc2)o1 ZINC000433318602 500670481 /nfs/dbraw/zinc/67/04/81/500670481.db2.gz MCTHQKIPRBIWFC-LJQANCHMSA-N 0 3 353.466 3.251 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000437657163 500677400 /nfs/dbraw/zinc/67/74/00/500677400.db2.gz UBNNQIMHDQKRFC-JBACZVJFSA-N 0 3 371.525 3.104 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433452096 500695924 /nfs/dbraw/zinc/69/59/24/500695924.db2.gz UCQFIKJWNKSXCF-SFHVURJKSA-N 0 3 351.535 3.265 20 30 FGEDHN C=CCCCNC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000447975012 500699864 /nfs/dbraw/zinc/69/98/64/500699864.db2.gz YRCCEEKEXJAUSC-UHFFFAOYSA-N 0 3 358.530 3.163 20 30 FGEDHN Cc1cc(CN(C)C)ccc1NS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000570683007 506213562 /nfs/dbraw/zinc/21/35/62/506213562.db2.gz XDYPMIRMDFPIEZ-UHFFFAOYSA-N 0 3 357.479 3.065 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000438013538 500728631 /nfs/dbraw/zinc/72/86/31/500728631.db2.gz PBGPUTBMAFXOKS-PMACEKPBSA-N 0 3 359.514 3.049 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000438063454 500732994 /nfs/dbraw/zinc/73/29/94/500732994.db2.gz CDCPFNOSINRMSR-TYPHKJRUSA-N 0 3 371.525 3.274 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434356082 500830942 /nfs/dbraw/zinc/83/09/42/500830942.db2.gz SUFAGICRIVYIHD-LJQANCHMSA-N 0 3 357.498 3.410 20 30 FGEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(N2CCOCC2)c1 ZINC000602568249 506219454 /nfs/dbraw/zinc/21/94/54/506219454.db2.gz IJJCJJOTCDLVRR-SFHVURJKSA-N 0 3 357.498 3.020 20 30 FGEDHN COc1ccc(C2(NCCOc3ccc(C#N)cc3)CCOCC2)cc1F ZINC000444804198 500903937 /nfs/dbraw/zinc/90/39/37/500903937.db2.gz HJVFIVDPNSLVNA-UHFFFAOYSA-N 0 3 370.424 3.380 20 30 FGEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000439693766 500927682 /nfs/dbraw/zinc/92/76/82/500927682.db2.gz HBHLDAACTPNFSW-LJQANCHMSA-N 0 3 359.539 3.418 20 30 FGEDHN COC(=O)COC[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000449233064 500954093 /nfs/dbraw/zinc/95/40/93/500954093.db2.gz KCUQVVNSTUSZRH-HOTGVXAUSA-N 0 3 352.434 3.454 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000435740820 501021266 /nfs/dbraw/zinc/02/12/66/501021266.db2.gz FYZMOBCEBBAMSF-MLGOLLRUSA-N 0 3 356.260 3.234 20 30 FGEDHN C=CCC[C@H](CO)NCc1ccc(OC(F)F)c(Br)c1 ZINC000449698434 501064726 /nfs/dbraw/zinc/06/47/26/501064726.db2.gz NNTJQOVNXXDMNJ-LLVKDONJSA-N 0 3 350.203 3.467 20 30 FGEDHN C=CCC[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000441044703 501079277 /nfs/dbraw/zinc/07/92/77/501079277.db2.gz BBVCHBIJANZFDX-LJQANCHMSA-N 0 3 358.530 3.019 20 30 FGEDHN CN(C)CCN(Cc1cccs1)c1ncc(Br)cc1C#N ZINC000450381590 501106491 /nfs/dbraw/zinc/10/64/91/501106491.db2.gz VCQPXIKPRMVHDM-UHFFFAOYSA-N 0 3 365.300 3.345 20 30 FGEDHN CO[C@H]1CCCC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000441277654 501113022 /nfs/dbraw/zinc/11/30/22/501113022.db2.gz NJCGKDKCZRSYLJ-HOJAQTOUSA-N 0 3 357.498 3.486 20 30 FGEDHN CN(Cc1ccccn1)[C@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450462812 501127623 /nfs/dbraw/zinc/12/76/23/501127623.db2.gz JOFWEANBXCKITJ-SFHVURJKSA-N 0 3 365.437 3.352 20 30 FGEDHN Cc1nsc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1C#N ZINC000436482479 501136154 /nfs/dbraw/zinc/13/61/54/501136154.db2.gz BBVPGWKYWFSGBG-UHFFFAOYSA-N 0 3 355.467 3.109 20 30 FGEDHN C=CCC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000441569135 501155376 /nfs/dbraw/zinc/15/53/76/501155376.db2.gz RTXKRPFEBCITQP-BXUZGUMPSA-N 0 3 363.401 3.262 20 30 FGEDHN Cc1cccc2c1CCC[C@H]2NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000596070299 506239744 /nfs/dbraw/zinc/23/97/44/506239744.db2.gz QLPDPFLFZDWANS-HXUWFJFHSA-N 0 3 354.475 3.308 20 30 FGEDHN COc1ccc([C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])N(C)C)cc1OC ZINC000450214132 501211453 /nfs/dbraw/zinc/21/14/53/501211453.db2.gz HRAGFQXHZOLQGA-MRXNPFEDSA-N 0 3 370.409 3.198 20 30 FGEDHN CO[C@H](Cc1ccccc1)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450212011 501211745 /nfs/dbraw/zinc/21/17/45/501211745.db2.gz BQHYEIHCUVWPES-HSZRJFAPSA-N 0 3 363.505 3.324 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2ccncc2)C1 ZINC000451002108 501238035 /nfs/dbraw/zinc/23/80/35/501238035.db2.gz RZDGCYVZGUHNMD-RTWAWAEBSA-N 0 3 352.478 3.429 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326192 501266106 /nfs/dbraw/zinc/26/61/06/501266106.db2.gz CTBVNOZLFZIZFJ-QGZVFWFLSA-N 0 3 360.841 3.264 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000457604029 501266642 /nfs/dbraw/zinc/26/66/42/501266642.db2.gz XKNMXNKERYTWIX-QGZVFWFLSA-N 0 3 367.415 3.181 20 30 FGEDHN C=CC[C@H](CC)NC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000455406802 501294034 /nfs/dbraw/zinc/29/40/34/501294034.db2.gz WAKGAKLXNHFJNZ-SFHVURJKSA-N 0 3 372.513 3.263 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000451504662 501308059 /nfs/dbraw/zinc/30/80/59/501308059.db2.gz SCERGWBXMHJYPD-HMXCVIKNSA-N 0 3 367.493 3.097 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000457804620 501312694 /nfs/dbraw/zinc/31/26/94/501312694.db2.gz NCWMVPMQJCEAAK-QNWVGRARSA-N 0 3 368.521 3.482 20 30 FGEDHN CCO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C ZINC000451540879 501317749 /nfs/dbraw/zinc/31/77/49/501317749.db2.gz LEEQXLHUURGUHC-XJKSGUPXSA-N 0 3 361.511 3.184 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1CCCN(C(C)C)CC1 ZINC000453429408 501330324 /nfs/dbraw/zinc/33/03/24/501330324.db2.gz BHGHWPIJYVEWPB-UHFFFAOYSA-N 0 3 357.477 3.115 20 30 FGEDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000451591043 501331821 /nfs/dbraw/zinc/33/18/21/501331821.db2.gz CQIBEWQNQYKHOS-QAPCUYQASA-N 0 3 351.878 3.029 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000451594700 501333072 /nfs/dbraw/zinc/33/30/72/501333072.db2.gz BPYQXACPPUFDHN-CJTUPEFNSA-N 0 3 357.281 3.492 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453448489 501334454 /nfs/dbraw/zinc/33/44/54/501334454.db2.gz CMMMNLNDWDZALH-INIZCTEOSA-N 0 3 359.543 3.427 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000453465954 501339569 /nfs/dbraw/zinc/33/95/69/501339569.db2.gz NRBIUCOLGDTKIJ-ROUUACIJSA-N 0 3 359.518 3.160 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000451681096 501349958 /nfs/dbraw/zinc/34/99/58/501349958.db2.gz LGBMVWKIGPGWOC-UXLLHSPISA-N 0 3 359.495 3.200 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000451775614 501370251 /nfs/dbraw/zinc/37/02/51/501370251.db2.gz RHYFCOJHRAJBCJ-HXUWFJFHSA-N 0 3 352.482 3.426 20 30 FGEDHN Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccc1CN(C)C ZINC000458261992 501406179 /nfs/dbraw/zinc/40/61/79/501406179.db2.gz JRSRYAAYTNNPLH-HXUWFJFHSA-N 0 3 359.470 3.257 20 30 FGEDHN C[C@H]1CN(CCCCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000455913297 501413938 /nfs/dbraw/zinc/41/39/38/501413938.db2.gz XDKPHHNQJORUFN-ROUUACIJSA-N 0 3 371.525 3.133 20 30 FGEDHN Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C[NH+](C)C ZINC000458311155 501417919 /nfs/dbraw/zinc/41/79/19/501417919.db2.gz HKBOAXIWAFPIFG-UHFFFAOYSA-N 0 3 366.465 3.217 20 30 FGEDHN COC[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000452031755 501421858 /nfs/dbraw/zinc/42/18/58/501421858.db2.gz TUOMAJNEYURFJJ-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453027979 501604719 /nfs/dbraw/zinc/60/47/19/501604719.db2.gz QNUJHWMSKCUSGU-INIZCTEOSA-N 0 3 357.498 3.328 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000454902908 501652368 /nfs/dbraw/zinc/65/23/68/501652368.db2.gz OMWSTSTWZXDAOF-VQTJNVASSA-N 0 3 371.525 3.322 20 30 FGEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000457138375 501657282 /nfs/dbraw/zinc/65/72/82/501657282.db2.gz XRJQZGPOJPKREU-KRWDZBQOSA-N 0 3 367.449 3.285 20 30 FGEDHN CN(C)CCNC(=O)c1ccc(NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000598992500 506266266 /nfs/dbraw/zinc/26/62/66/506266266.db2.gz VEONIQVYMLEMRR-UHFFFAOYSA-N 0 3 364.493 3.391 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000454982337 501666136 /nfs/dbraw/zinc/66/61/36/501666136.db2.gz FKEUDMZCSJZHOF-UXHICEINSA-N 0 3 373.497 3.406 20 30 FGEDHN COc1ccc(CN2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1OCCCC#N ZINC000459682262 501698334 /nfs/dbraw/zinc/69/83/34/501698334.db2.gz SKLSQBQOALJXIW-MSOLQXFVSA-N 0 3 356.466 3.379 20 30 FGEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)ncc1C#N ZINC000457497632 501710961 /nfs/dbraw/zinc/71/09/61/501710961.db2.gz KHZMLJKWWUFTAB-UHFFFAOYSA-N 0 3 356.857 3.119 20 30 FGEDHN Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)ncc1C#N ZINC000457535826 501718428 /nfs/dbraw/zinc/71/84/28/501718428.db2.gz QQDFNHFCDBRXED-UHFFFAOYSA-N 0 3 362.477 3.042 20 30 FGEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000467203518 501735587 /nfs/dbraw/zinc/73/55/87/501735587.db2.gz APOKFBFZUOXSKD-RHSMWYFYSA-N 0 3 352.400 3.294 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ncc(C#N)cc1Cl ZINC000470590426 501737628 /nfs/dbraw/zinc/73/76/28/501737628.db2.gz HKRJXMJWEIZAKZ-SFHVURJKSA-N 0 3 370.884 3.493 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000588339607 506272955 /nfs/dbraw/zinc/27/29/55/506272955.db2.gz HUIFBGUMUXNUSC-FOIQADDNSA-N 0 3 366.440 3.160 20 30 FGEDHN C=CCN1CC[C@H](N(C)C[C@H](C)c2cccc(Br)c2)C1=O ZINC000467512880 501813410 /nfs/dbraw/zinc/81/34/10/501813410.db2.gz JUVVLNFHUALSAL-BBRMVZONSA-N 0 3 351.288 3.271 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460396547 501813658 /nfs/dbraw/zinc/81/36/58/501813658.db2.gz YZQZBUNFKMCTEH-HZPDHXFCSA-N 0 3 359.543 3.425 20 30 FGEDHN COCCCC[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000471026298 501894736 /nfs/dbraw/zinc/89/47/36/501894736.db2.gz WBTWVLHCPZJZHZ-IBGZPJMESA-N 0 3 357.498 3.477 20 30 FGEDHN Cc1ccc(C)c(N2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1 ZINC000471051364 501903582 /nfs/dbraw/zinc/90/35/82/501903582.db2.gz YHXPHRQKAIYEBQ-NRFANRHFSA-N 0 3 372.472 3.206 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460802526 501924526 /nfs/dbraw/zinc/92/45/26/501924526.db2.gz CDCABYJIFMPVEK-DLBZAZTESA-N 0 3 364.497 3.312 20 30 FGEDHN CN(CCCNC(=O)CSc1ccc(C#N)cc1)Cc1ccccc1 ZINC000481951243 501927429 /nfs/dbraw/zinc/92/74/29/501927429.db2.gz HPJGVVYQAMWXDR-UHFFFAOYSA-N 0 3 353.491 3.289 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C[C@H]1C ZINC000460848895 501937750 /nfs/dbraw/zinc/93/77/50/501937750.db2.gz LCGSLSAPLFQQIY-SJORKVTESA-N 0 3 366.513 3.392 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C[C@@H]1C ZINC000460920292 501958424 /nfs/dbraw/zinc/95/84/24/501958424.db2.gz BFYIPIWOMYVWPB-IRXDYDNUSA-N 0 3 366.513 3.392 20 30 FGEDHN C[C@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000471244148 501966396 /nfs/dbraw/zinc/96/63/96/501966396.db2.gz LXORMIXFQGPZNI-FXAWDEMLSA-N 0 3 362.477 3.441 20 30 FGEDHN C=CCCC1(C(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)CC1 ZINC000474904075 501985901 /nfs/dbraw/zinc/98/59/01/501985901.db2.gz AOGKBDMPTOBODE-UHFFFAOYSA-N 0 3 355.526 3.187 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000486107326 502049362 /nfs/dbraw/zinc/04/93/62/502049362.db2.gz PWRUYWWXENQIGY-UHFFFAOYSA-N 0 3 371.481 3.380 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464836258 502111797 /nfs/dbraw/zinc/11/17/97/502111797.db2.gz WECIYNOYQRQPFQ-VQTJNVASSA-N 0 3 355.526 3.172 20 30 FGEDHN N#Cc1cnc2ccccc2c1NCCCN1CCN(c2ccccc2)CC1 ZINC000461445387 502117253 /nfs/dbraw/zinc/11/72/53/502117253.db2.gz NORSKMTWGNPFFW-UHFFFAOYSA-N 0 3 371.488 3.153 20 30 FGEDHN C[C@@H](CCN1CCN(c2cccc(C#N)n2)CC1)OCc1ccccc1 ZINC000475309910 502129508 /nfs/dbraw/zinc/12/95/08/502129508.db2.gz ZQRMLNVPULTTTP-SFHVURJKSA-N 0 3 350.466 3.071 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475322853 502134780 /nfs/dbraw/zinc/13/47/80/502134780.db2.gz SZWYBIGWYQPHSA-YLJYHZDGSA-N 0 3 363.461 3.058 20 30 FGEDHN COc1cccc(CN(CCN(C)C)c2nc(C)c(C#N)cc2Cl)c1 ZINC000461936046 502244088 /nfs/dbraw/zinc/24/40/88/502244088.db2.gz PSDWHPYDFQEHGB-UHFFFAOYSA-N 0 3 358.873 3.492 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2c1cccc2O)C(C)C ZINC000465538857 502297400 /nfs/dbraw/zinc/29/74/00/502297400.db2.gz GKVULELWZZRFPN-MOPGFXCFSA-N 0 3 357.498 3.377 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1)C(C)C ZINC000476026704 502362282 /nfs/dbraw/zinc/36/22/82/502362282.db2.gz CGOJLBNNDCGDJB-YLJYHZDGSA-N 0 3 372.557 3.453 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000476026704 502362284 /nfs/dbraw/zinc/36/22/84/502362284.db2.gz CGOJLBNNDCGDJB-YLJYHZDGSA-N 0 3 372.557 3.453 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465743517 502366918 /nfs/dbraw/zinc/36/69/18/502366918.db2.gz CESONPFTBZAZRX-HNAYVOBHSA-N 0 3 366.440 3.332 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000465870426 502408904 /nfs/dbraw/zinc/40/89/04/502408904.db2.gz ZEQMPPTXGTVOHB-AZUAARDMSA-N 0 3 357.498 3.104 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000462403315 502423919 /nfs/dbraw/zinc/42/39/19/502423919.db2.gz QMSIDYLQPJJADP-QRWLVFNGSA-N 0 3 351.450 3.089 20 30 FGEDHN C=CCOc1cccc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)c1 ZINC000466014363 502455149 /nfs/dbraw/zinc/45/51/49/502455149.db2.gz IVGPLEDVZXSGSR-UHFFFAOYSA-N 0 3 365.477 3.472 20 30 FGEDHN N#CC[C@@H](CC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000476329433 502458404 /nfs/dbraw/zinc/45/84/04/502458404.db2.gz CERJNFALZCTKLK-LEWJYISDSA-N 0 3 369.509 3.177 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)CN1C1CC1 ZINC000469554788 502460307 /nfs/dbraw/zinc/46/03/07/502460307.db2.gz SNZJLEDUWZXPQE-HOTGVXAUSA-N 0 3 350.466 3.300 20 30 FGEDHN C=CCOc1ccc(CNCc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000462545411 502482490 /nfs/dbraw/zinc/48/24/90/502482490.db2.gz PBCZEEWEQLPKMW-UHFFFAOYSA-N 0 3 372.490 3.081 20 30 FGEDHN CC(C)N1CC[C@@H](NCc2cc(C#N)n(C)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000480270232 502520438 /nfs/dbraw/zinc/52/04/38/502520438.db2.gz YLEZUUZIUACENG-UXHICEINSA-N 0 3 358.436 3.489 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487813469 502535793 /nfs/dbraw/zinc/53/57/93/502535793.db2.gz DORYYZMDPQXHEH-GFCCVEGCSA-N 0 3 365.275 3.126 20 30 FGEDHN C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C1=CCN(C)CC1 ZINC000469775378 502540661 /nfs/dbraw/zinc/54/06/61/502540661.db2.gz LKXRRPPFALMCKC-INIZCTEOSA-N 0 3 350.466 3.325 20 30 FGEDHN CCN(C)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000480343880 502542464 /nfs/dbraw/zinc/54/24/64/502542464.db2.gz PFQIBQWDBYVKMV-GOSISDBHSA-N 0 3 367.472 3.307 20 30 FGEDHN CC(C)[C@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1C ZINC000487945586 502575192 /nfs/dbraw/zinc/57/51/92/502575192.db2.gz AQKFNWOUJCDGSD-SJLPKXTDSA-N 0 3 374.554 3.149 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CC[C@@H](C)O1 ZINC000473401257 502585284 /nfs/dbraw/zinc/58/52/84/502585284.db2.gz LZKVZTMLDPJSRT-HZPDHXFCSA-N 0 3 350.532 3.152 20 30 FGEDHN Cc1ccccc1CN1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000592996071 506325437 /nfs/dbraw/zinc/32/54/37/506325437.db2.gz MGLZMFLVWCBXMG-UHFFFAOYSA-N 0 3 364.449 3.483 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000473667149 502672866 /nfs/dbraw/zinc/67/28/66/502672866.db2.gz NAHSJQCEUUICKI-UHFFFAOYSA-N 0 3 370.375 3.057 20 30 FGEDHN C=CCCCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000477163409 502697059 /nfs/dbraw/zinc/69/70/59/502697059.db2.gz NLOXIDHZEGEYMZ-FQEVSTJZSA-N 0 3 371.525 3.000 20 30 FGEDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488436490 502713780 /nfs/dbraw/zinc/71/37/80/502713780.db2.gz CBDPOHBNXXUBFN-QGZVFWFLSA-N 0 3 367.415 3.490 20 30 FGEDHN C[C@H](CCc1ccsc1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488455212 502718164 /nfs/dbraw/zinc/71/81/64/502718164.db2.gz DUTGJSKUVSYRMI-DNVCBOLYSA-N 0 3 353.491 3.332 20 30 FGEDHN C[C@@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000463263977 502739920 /nfs/dbraw/zinc/73/99/20/502739920.db2.gz XQNQHORVAHAQDR-MRXNPFEDSA-N 0 3 351.450 3.378 20 30 FGEDHN N#Cc1ccc(NCC(=O)N(CCN2CCCCCC2)C2CCC2)cc1 ZINC000488866878 502828092 /nfs/dbraw/zinc/82/80/92/502828092.db2.gz GNMDUSRZDRQBRY-UHFFFAOYSA-N 0 3 354.498 3.227 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(C#N)cc(N(C)C)c1)N(C)C ZINC000504985081 502835603 /nfs/dbraw/zinc/83/56/03/502835603.db2.gz KZLXZRQASFYAMZ-IIBYNOLFSA-N 0 3 364.493 3.354 20 30 FGEDHN C=CCOc1ccc(CN[C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1 ZINC000513060313 502842341 /nfs/dbraw/zinc/84/23/41/502842341.db2.gz ZNOMVIFELQZAID-ZIAGYGMSSA-N 0 3 374.510 3.418 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)C(C)C ZINC000495999882 502869128 /nfs/dbraw/zinc/86/91/28/502869128.db2.gz MSYCLHVEPKEIKS-MBOZVWFJSA-N 0 3 358.482 3.030 20 30 FGEDHN C[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)N(C)Cc1ccccc1 ZINC000496612266 502896059 /nfs/dbraw/zinc/89/60/59/502896059.db2.gz OJFZFRQAQCTUCT-QGZVFWFLSA-N 0 3 362.477 3.367 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC(F)(C#N)CC2)N2CCCC2)cc1 ZINC000489280306 502917570 /nfs/dbraw/zinc/91/75/70/502917570.db2.gz YJCARDFYPFUTPL-SFHVURJKSA-N 0 3 358.461 3.169 20 30 FGEDHN N#Cc1cccc(OCCCN[C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000602904511 506345196 /nfs/dbraw/zinc/34/51/96/506345196.db2.gz VWAZPLYUYXTQBL-HXUWFJFHSA-N 0 3 351.450 3.216 20 30 FGEDHN C=CCCCS(=O)(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000489595480 502994661 /nfs/dbraw/zinc/99/46/61/502994661.db2.gz ZARYRPSBVBSXLE-IBGZPJMESA-N 0 3 350.528 3.126 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N(C[C@H](C)C#N)C3CC3)c(C)c2)CC1 ZINC000513769859 503020566 /nfs/dbraw/zinc/02/05/66/503020566.db2.gz QQOIHRZGHZMMFX-MRXNPFEDSA-N 0 3 369.513 3.293 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000506029266 503031518 /nfs/dbraw/zinc/03/15/18/503031518.db2.gz BJFLBJWBWNJSEO-KRWDZBQOSA-N 0 3 357.454 3.255 20 30 FGEDHN N#Cc1ccc(C2CCN(C[C@@H](O)COc3ccccc3Cl)CC2)nc1 ZINC000602912204 506348426 /nfs/dbraw/zinc/34/84/26/506348426.db2.gz MGNIYSFEMJBWCW-QGZVFWFLSA-N 0 3 371.868 3.226 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000497857968 503055599 /nfs/dbraw/zinc/05/55/99/503055599.db2.gz KEUVARIBOYGSTG-SFHVURJKSA-N 0 3 356.401 3.130 20 30 FGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(OC)c(OC)c1 ZINC000510237955 503077303 /nfs/dbraw/zinc/07/73/03/503077303.db2.gz HLJADYWTVJJXGN-UVFQYZLESA-N 0 3 361.486 3.187 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000498126885 503112785 /nfs/dbraw/zinc/11/27/85/503112785.db2.gz QQGCXRFTOOBPSN-IBGZPJMESA-N 0 3 353.466 3.294 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000510635249 503160075 /nfs/dbraw/zinc/16/00/75/503160075.db2.gz XYQJOXUOZLNLHW-INIZCTEOSA-N 0 3 364.367 3.449 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000498380159 503173812 /nfs/dbraw/zinc/17/38/12/503173812.db2.gz BUORJIZABBXFOH-RTWAWAEBSA-N 0 3 363.461 3.142 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCc2cc(C#N)ccc2F)CCN1Cc1ccccc1 ZINC000498385365 503175646 /nfs/dbraw/zinc/17/56/46/503175646.db2.gz MQESOFCQSVUTBT-YWZLYKJASA-N 0 3 366.440 3.160 20 30 FGEDHN Cc1onc(CC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)c1C#N ZINC000490489614 503182435 /nfs/dbraw/zinc/18/24/35/503182435.db2.gz ZINTZSRPYQQDGP-FQEVSTJZSA-N 0 3 368.481 3.015 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1cnn(CC)c1 ZINC000502400475 503192856 /nfs/dbraw/zinc/19/28/56/503192856.db2.gz UQZLOGYZPDVVNC-UHFFFAOYSA-N 0 3 374.558 3.044 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)N1CCCCC1 ZINC000502838821 503285557 /nfs/dbraw/zinc/28/55/57/503285557.db2.gz DXJZBVOMJZOYJG-LJQANCHMSA-N 0 3 357.498 3.342 20 30 FGEDHN Cn1cc(CN2CCN(C)c3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000491236856 503289525 /nfs/dbraw/zinc/28/95/25/503289525.db2.gz ABCGUIQDRXSJDH-UHFFFAOYSA-N 0 3 357.461 3.411 20 30 FGEDHN CN(C)[C@@]1(CNc2cc(Br)c(C#N)cc2F)CCSC1 ZINC000515339557 503318439 /nfs/dbraw/zinc/31/84/39/503318439.db2.gz LRWUGKWUVKJECL-CQSZACIVSA-N 0 3 358.280 3.309 20 30 FGEDHN C=CCN(CCc1ccccc1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000499054662 503323370 /nfs/dbraw/zinc/32/33/70/503323370.db2.gz SWFRCACSIXYLCW-UHFFFAOYSA-N 0 3 358.507 3.168 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000515369163 503325532 /nfs/dbraw/zinc/32/55/32/503325532.db2.gz CXOCPYNBXSAOPE-HSALFYBXSA-N 0 3 371.525 3.320 20 30 FGEDHN CCN(CCN1CCCCCC1)CC(=O)Nc1ccccc1SCC#N ZINC000515408607 503331949 /nfs/dbraw/zinc/33/19/49/503331949.db2.gz FLOQIXZGYNSOCH-UHFFFAOYSA-N 0 3 374.554 3.439 20 30 FGEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000515415063 503334119 /nfs/dbraw/zinc/33/41/19/503334119.db2.gz OHHONASHWSSZFK-PKOBYXMFSA-N 0 3 353.466 3.336 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000492112688 503350901 /nfs/dbraw/zinc/35/09/01/503350901.db2.gz YZMPFEMRAUCRLS-UHFFFAOYSA-N 0 3 364.449 3.309 20 30 FGEDHN Cn1cc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000499253435 503365760 /nfs/dbraw/zinc/36/57/60/503365760.db2.gz HYYHNVCNDXKPEK-OALUTQOASA-N 0 3 352.482 3.188 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCC[C@@]2(C)CO)c1 ZINC000493705541 503441731 /nfs/dbraw/zinc/44/17/31/503441731.db2.gz JKTKRTXCHXTRSE-CUWPLCDZSA-N 0 3 357.498 3.079 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)nc1 ZINC000516085536 503443184 /nfs/dbraw/zinc/44/31/84/503443184.db2.gz LGJRCKWQLDVMSK-ZWKOTPCHSA-N 0 3 360.383 3.073 20 30 FGEDHN COc1cc2c(cc1F)CC[C@H]2NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000512340799 503524565 /nfs/dbraw/zinc/52/45/65/503524565.db2.gz CSBPXZNUTRWXGD-QFBILLFUSA-N 0 3 363.392 3.192 20 30 FGEDHN N#Cc1ccnc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000500060335 503542675 /nfs/dbraw/zinc/54/26/75/503542675.db2.gz PLBVMYRQPBNWNL-JOCHJYFZSA-N 0 3 360.461 3.082 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000508874213 503585084 /nfs/dbraw/zinc/58/50/84/503585084.db2.gz QHZGXAYHLCTXJQ-IBGZPJMESA-N 0 3 351.498 3.442 20 30 FGEDHN C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512635782 503600491 /nfs/dbraw/zinc/60/04/91/503600491.db2.gz IINMZHUCODCCNJ-RDTXWAMCSA-N 0 3 359.470 3.483 20 30 FGEDHN C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508954084 503607050 /nfs/dbraw/zinc/60/70/50/503607050.db2.gz WJSSFDIPHUZHCK-QGZVFWFLSA-N 0 3 355.486 3.406 20 30 FGEDHN CN(C(=O)c1cc(C#N)cs1)c1ccc(OCCN2CCCC2)cc1 ZINC000532912426 503653245 /nfs/dbraw/zinc/65/32/45/503653245.db2.gz BXWGWSYJKMWEFR-UHFFFAOYSA-N 0 3 355.463 3.371 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000527070519 503667781 /nfs/dbraw/zinc/66/77/81/503667781.db2.gz HSBSWHVOOOILOX-QHAWAJNXSA-N 0 3 359.429 3.135 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2nccnc2Sc2ccccc2)CC1 ZINC000543280952 503710561 /nfs/dbraw/zinc/71/05/61/503710561.db2.gz BXZNKNXMUSBLPX-UHFFFAOYSA-N 0 3 368.506 3.398 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2nc3c(cccc3COC)s2)CC1 ZINC000517377435 503729462 /nfs/dbraw/zinc/72/94/62/503729462.db2.gz LDLIFMKNTDBBQT-UHFFFAOYSA-N 0 3 360.483 3.215 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000517441792 503746646 /nfs/dbraw/zinc/74/66/46/503746646.db2.gz FZMBLKJHZUOENP-LIRRHRJNSA-N 0 3 352.413 3.339 20 30 FGEDHN C=CCC[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540430187 503769737 /nfs/dbraw/zinc/76/97/37/503769737.db2.gz NDVOTINQKBGYEC-QGZVFWFLSA-N 0 3 369.431 3.076 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000540458072 503777578 /nfs/dbraw/zinc/77/75/78/503777578.db2.gz MHWIIWJBWDPGSO-PKOBYXMFSA-N 0 3 365.477 3.287 20 30 FGEDHN CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000517649708 503797591 /nfs/dbraw/zinc/79/75/91/503797591.db2.gz MLSUHXUEARWIDC-SFHVURJKSA-N 0 3 362.433 3.054 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000533303652 503800077 /nfs/dbraw/zinc/80/00/77/503800077.db2.gz LKQSZPZQNQCSJE-RDJZCZTQSA-N 0 3 372.538 3.045 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000537102619 503803016 /nfs/dbraw/zinc/80/30/16/503803016.db2.gz LHDJOUPKPLJXAQ-OAHLLOKOSA-N 0 3 371.403 3.394 20 30 FGEDHN N#Cc1ccc(CNC2CCN(C(=O)CCc3ccccc3)CC2)c(F)c1 ZINC000533312332 503803433 /nfs/dbraw/zinc/80/34/33/503803433.db2.gz XKBLEBVKNPWSNR-UHFFFAOYSA-N 0 3 365.452 3.411 20 30 FGEDHN C[C@H]1C[C@@H](Nc2c(C#N)cnc3ccc(OC(F)F)cc32)CN1C1CC1 ZINC000517751254 503824966 /nfs/dbraw/zinc/82/49/66/503824966.db2.gz PBXRJMJBGFZPJS-WCQYABFASA-N 0 3 358.392 3.167 20 30 FGEDHN C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000540707028 503862548 /nfs/dbraw/zinc/86/25/48/503862548.db2.gz MFFPYMFKROUISO-HRAATJIYSA-N 0 3 353.441 3.421 20 30 FGEDHN C[C@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707379 503863320 /nfs/dbraw/zinc/86/33/20/503863320.db2.gz YCMWHLNYWCGFNS-HTAPYJJXSA-N 0 3 366.484 3.337 20 30 FGEDHN C=CCC[C@H]1NC(=O)N([C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530210657 503878495 /nfs/dbraw/zinc/87/84/95/503878495.db2.gz HEXHBXXPNROBHL-HUUCEWRRSA-N 0 3 370.280 3.483 20 30 FGEDHN N#CCC1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000543774730 503887440 /nfs/dbraw/zinc/88/74/40/503887440.db2.gz LYRCBHASIWLGKT-UHFFFAOYSA-N 0 3 360.527 3.295 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CC#N)CC1 ZINC000543778366 503889572 /nfs/dbraw/zinc/88/95/72/503889572.db2.gz DNAZWXSENBBWOT-PXNSSMCTSA-N 0 3 354.498 3.232 20 30 FGEDHN N#Cc1ccccc1COc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000546860308 503905796 /nfs/dbraw/zinc/90/57/96/503905796.db2.gz OTALGSOAUHCDHB-LJQANCHMSA-N 0 3 354.369 3.417 20 30 FGEDHN COc1cc(CN2C[C@@H](O)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000530360862 503936967 /nfs/dbraw/zinc/93/69/67/503936967.db2.gz XBXRWMJSNFWXTN-KXBFYZLASA-N 0 3 352.434 3.101 20 30 FGEDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000540953403 503952854 /nfs/dbraw/zinc/95/28/54/503952854.db2.gz KFLCRPZWYNYGCF-SFTDATJTSA-N 0 3 361.445 3.339 20 30 FGEDHN COCCOc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000527808581 503955139 /nfs/dbraw/zinc/95/51/39/503955139.db2.gz BCDULTXBQBLXJK-UHFFFAOYSA-N 0 3 366.461 3.379 20 30 FGEDHN N#CCCN(C(=O)CN[C@@H](CO)C1CCCCC1)c1cccc(Cl)c1 ZINC000541054310 503987599 /nfs/dbraw/zinc/98/75/99/503987599.db2.gz MEGNKGUZVQHSJN-SFHVURJKSA-N 0 3 363.889 3.117 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000518967810 504105001 /nfs/dbraw/zinc/10/50/01/504105001.db2.gz OPTIZIWMSDXUOR-DYESRHJHSA-N 0 3 362.477 3.385 20 30 FGEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000530856241 504109173 /nfs/dbraw/zinc/10/91/73/504109173.db2.gz LMRLRNYTGYQJCO-UZLBHIALSA-N 0 3 351.450 3.098 20 30 FGEDHN C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000547474090 504119816 /nfs/dbraw/zinc/11/98/16/504119816.db2.gz PKRBDYYVONXSIE-DLBZAZTESA-N 0 3 367.559 3.033 20 30 FGEDHN C=CCC[C@H](NCC(=O)N1CCC(C(=O)OCC)CC1)c1ccccc1 ZINC000538190041 504156943 /nfs/dbraw/zinc/15/69/43/504156943.db2.gz CPHJHKYEDGXUNB-IBGZPJMESA-N 0 3 358.482 3.085 20 30 FGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CCOCC2)[C@H]1C ZINC000544546633 504169255 /nfs/dbraw/zinc/16/92/55/504169255.db2.gz BQFGSTKCIXTLMV-BKVYSMKUSA-N 0 3 361.530 3.197 20 30 FGEDHN C=C(C)CN(CC)C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000538240968 504173497 /nfs/dbraw/zinc/17/34/97/504173497.db2.gz DXCHFXUXUDRTSN-UHFFFAOYSA-N 0 3 359.514 3.311 20 30 FGEDHN C=CCN(Cc1cc(I)c(OC)c(OC)c1)C1CC1 ZINC000544598852 504185678 /nfs/dbraw/zinc/18/56/78/504185678.db2.gz YMJFTBCMFILHMT-UHFFFAOYSA-N 0 3 373.234 3.459 20 30 FGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000531117843 504194452 /nfs/dbraw/zinc/19/44/52/504194452.db2.gz PTBGJQALOHXHMX-AWEZNQCLSA-N 0 3 370.396 3.459 20 30 FGEDHN CS[C@H]1CN(c2cc(C)c(C#N)c3nc4ccccc4n32)C[C@@H]1N(C)C ZINC000534657607 504206326 /nfs/dbraw/zinc/20/63/26/504206326.db2.gz ARDLPAILAHGCAU-ROUUACIJSA-N 0 3 365.506 3.149 20 30 FGEDHN Cc1ccccc1[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000538392801 504231803 /nfs/dbraw/zinc/23/18/03/504231803.db2.gz ORVXOBVGXMBKNX-FQEVSTJZSA-N 0 3 354.475 3.381 20 30 FGEDHN CCOC(=O)c1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000538403872 504237070 /nfs/dbraw/zinc/23/70/70/504237070.db2.gz FUWYYIKTLCEMLR-HNNXBMFYSA-N 0 3 371.412 3.226 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(C)C)CC1 ZINC000519523506 504239053 /nfs/dbraw/zinc/23/90/53/504239053.db2.gz YBYIBVNVVOADAK-UHFFFAOYSA-N 0 3 354.502 3.145 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(F)(c2ccccc2)CC1 ZINC000528485140 504242671 /nfs/dbraw/zinc/24/26/71/504242671.db2.gz KWPGEXYMPRVWKN-LJQANCHMSA-N 0 3 354.425 3.259 20 30 FGEDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(C#N)nc2)CCN1Cc1ccccc1 ZINC000528616396 504297399 /nfs/dbraw/zinc/29/73/99/504297399.db2.gz LQQRDLCRQFEQOU-DYESRHJHSA-N 0 3 362.477 3.007 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C)N(C[C@H](O)COc1ccc(C#N)cc1)[C@H]2C ZINC000541988893 504326564 /nfs/dbraw/zinc/32/65/64/504326564.db2.gz CCDFDHRXFYCAKO-BXWFABGCSA-N 0 3 366.461 3.314 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)C2=O)cc1 ZINC000519806207 504346765 /nfs/dbraw/zinc/34/67/65/504346765.db2.gz DDDJJVVWHYIWLV-CGXNFDGLSA-N 0 3 367.493 3.069 20 30 FGEDHN CC1CC(C#N)(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000531571335 504349555 /nfs/dbraw/zinc/34/95/55/504349555.db2.gz ZLYBZLAIJQITHU-NFOQDIRWSA-N 0 3 351.494 3.441 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN(CCc1ccccc1F)C1CCCC1 ZINC000531588387 504355473 /nfs/dbraw/zinc/35/54/73/504355473.db2.gz SPGLNNKWIMEMDH-UHFFFAOYSA-N 0 3 370.472 3.269 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NCCNc1ccncc1 ZINC000535261349 504387416 /nfs/dbraw/zinc/38/74/16/504387416.db2.gz NCBUYLMMWVIPCB-CQSZACIVSA-N 0 3 355.467 3.131 20 30 FGEDHN C=CCOc1ccccc1CNC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535367862 504415139 /nfs/dbraw/zinc/41/51/39/504415139.db2.gz ANNGYUUJDRMQBO-LJQANCHMSA-N 0 3 350.462 3.390 20 30 FGEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000538956822 504429889 /nfs/dbraw/zinc/42/98/89/504429889.db2.gz YHMITVUQADDDLG-PBHICJAKSA-N 0 3 352.400 3.436 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(C2CC2)c1 ZINC000528921060 504450948 /nfs/dbraw/zinc/45/09/48/504450948.db2.gz RUBWMMOMYZPLRS-CQSZACIVSA-N 0 3 363.204 3.486 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1[C@@H]1CCOC1 ZINC000528999684 504489529 /nfs/dbraw/zinc/48/95/29/504489529.db2.gz NSLUAJIBNKENRS-NVXWUHKLSA-N 0 3 360.417 3.500 20 30 FGEDHN COC(=O)c1ccc(NC[C@@H](c2ccc(C)cc2)N2CCCC2)c(C#N)n1 ZINC000520427846 504496968 /nfs/dbraw/zinc/49/69/68/504496968.db2.gz CDTJHXLOIFGBSL-FQEVSTJZSA-N 0 3 364.449 3.297 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616738 504497650 /nfs/dbraw/zinc/49/76/50/504497650.db2.gz LVTNDLPXQHYKMF-KUHUBIRLSA-N 0 3 353.853 3.462 20 30 FGEDHN Cc1cc([C@H](NCC(=O)NCc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000539421801 504566222 /nfs/dbraw/zinc/56/62/22/504566222.db2.gz NMUSRZSAQYHPRO-OAQYLSRUSA-N 0 3 351.425 3.363 20 30 FGEDHN Cc1cc([C@@H](NCC(=O)NCc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000539421800 504566256 /nfs/dbraw/zinc/56/62/56/504566256.db2.gz NMUSRZSAQYHPRO-NRFANRHFSA-N 0 3 351.425 3.363 20 30 FGEDHN CCN(CCN1CCCCCC1)C(=O)Nc1ccc(COC)c(C#N)c1 ZINC000529206464 504583193 /nfs/dbraw/zinc/58/31/93/504583193.db2.gz NMZZTEDROOMCKN-UHFFFAOYSA-N 0 3 358.486 3.434 20 30 FGEDHN COCc1ccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1C#N ZINC000529218065 504589585 /nfs/dbraw/zinc/58/95/85/504589585.db2.gz SUIWRDRWQJURKR-UHFFFAOYSA-N 0 3 370.497 3.433 20 30 FGEDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000542880809 504646034 /nfs/dbraw/zinc/64/60/34/504646034.db2.gz VPYJKSLNMWECBP-QYWGDWMGSA-N 0 3 367.497 3.274 20 30 FGEDHN CCN1CCN(c2cccc(Nc3c(C#N)nnc4ccccc43)c2)CC1 ZINC000546025819 504679625 /nfs/dbraw/zinc/67/96/25/504679625.db2.gz TVXNFZWRENFIOY-UHFFFAOYSA-N 0 3 358.449 3.387 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)NC[C@H](c1cccs1)N1CCCC1 ZINC000549099796 504685109 /nfs/dbraw/zinc/68/51/09/504685109.db2.gz FWNNKUGPVPKMRZ-GOSISDBHSA-N 0 3 371.481 3.375 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1cccs1 ZINC000539910591 504737415 /nfs/dbraw/zinc/73/74/15/504737415.db2.gz BWKLZHSNVUICCN-UHFFFAOYSA-N 0 3 370.522 3.326 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)Cc1ccc(C#N)cc1OC(F)F ZINC000565161472 504812823 /nfs/dbraw/zinc/81/28/23/504812823.db2.gz HHBBDQLCBHBNBB-UHFFFAOYSA-N 0 3 360.408 3.118 20 30 FGEDHN N#Cc1cc(NC[C@H]2CCCN2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000553107092 504829212 /nfs/dbraw/zinc/82/92/12/504829212.db2.gz IVVOWLVETOQXQT-QGZVFWFLSA-N 0 3 351.410 3.125 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2cccc(Br)c2C#N)CC1 ZINC000565513127 504908510 /nfs/dbraw/zinc/90/85/10/504908510.db2.gz BIRJHKOOOYOLFI-AWEZNQCLSA-N 0 3 365.319 3.006 20 30 FGEDHN Cc1cc(Nc2nc(C)cc(C#N)n2)cc(N2CCN(C(C)C)CC2)c1 ZINC000553582685 504956102 /nfs/dbraw/zinc/95/61/02/504956102.db2.gz GTQUVNVMIODVGF-UHFFFAOYSA-N 0 3 350.470 3.239 20 30 FGEDHN Cc1ccc([C@H](C)NC[C@H](O)COc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000562866040 504969252 /nfs/dbraw/zinc/96/92/52/504969252.db2.gz XMZKFYHOUUIRTD-YJBOKZPZSA-N 0 3 369.421 3.060 20 30 FGEDHN N#Cc1ccc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)s1 ZINC000565743724 504974558 /nfs/dbraw/zinc/97/45/58/504974558.db2.gz NSLOLICOPLIRPO-LJQANCHMSA-N 0 3 366.534 3.012 20 30 FGEDHN COc1ccc([C@@H](C)NCc2cnc3ccc(C#N)cn23)c(C)c1OC ZINC000565801748 504991594 /nfs/dbraw/zinc/99/15/94/504991594.db2.gz SIPOKOODCULFRF-CQSZACIVSA-N 0 3 350.422 3.382 20 30 FGEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000565806339 504992266 /nfs/dbraw/zinc/99/22/66/504992266.db2.gz GPOINRSUMDOFAA-WBVHZDCISA-N 0 3 356.388 3.233 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCc3sc(Cl)cc32)cc1 ZINC000563013027 505019979 /nfs/dbraw/zinc/01/99/79/505019979.db2.gz ZELFWSYYSQYNRA-CZUORRHYSA-N 0 3 362.882 3.484 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000560251511 505029410 /nfs/dbraw/zinc/02/94/10/505029410.db2.gz PLXQDTPWYMMBOM-IBGZPJMESA-N 0 3 369.490 3.078 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(CC#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000563049699 505034430 /nfs/dbraw/zinc/03/44/30/505034430.db2.gz ZJXJPSQQOMMLSZ-OXJNMPFZSA-N 0 3 350.466 3.243 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000556976417 505035852 /nfs/dbraw/zinc/03/58/52/505035852.db2.gz GXDQJOOVYLIBTB-KUHUBIRLSA-N 0 3 353.853 3.462 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000560318299 505044615 /nfs/dbraw/zinc/04/46/15/505044615.db2.gz ULPMMJVYLCVXOK-CVEARBPZSA-N 0 3 359.495 3.150 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)c1ccccc1 ZINC000557122479 505071333 /nfs/dbraw/zinc/07/13/33/505071333.db2.gz SGAPOJLSDQNVFC-ICSRJNTNSA-N 0 3 371.525 3.047 20 30 FGEDHN COc1ccc([C@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C2CC2)cc1 ZINC000563220105 505079646 /nfs/dbraw/zinc/07/96/46/505079646.db2.gz NHEKEUPWNZHSKG-ZWKOTPCHSA-N 0 3 367.474 3.475 20 30 FGEDHN CN1CC[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 ZINC000550714438 505089021 /nfs/dbraw/zinc/08/90/21/505089021.db2.gz UYFYMXBZFAKESD-FDFHNCONSA-N 0 3 374.488 3.089 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000560493795 505103035 /nfs/dbraw/zinc/10/30/35/505103035.db2.gz KLZWWLDORYVFHT-VSKRKVRLSA-N 0 3 359.473 3.443 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1C#N ZINC000557465877 505142468 /nfs/dbraw/zinc/14/24/68/505142468.db2.gz HYCFKPAWAOQJKF-OAHLLOKOSA-N 0 3 370.522 3.253 20 30 FGEDHN CN(C)C(=O)C[C@H](NCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000557479912 505145907 /nfs/dbraw/zinc/14/59/07/505145907.db2.gz TVHYNQAUUZINCY-FQEVSTJZSA-N 0 3 351.450 3.136 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC2(Cc3ccccc3)CCOCC2)CC1 ZINC000566399847 505164677 /nfs/dbraw/zinc/16/46/77/505164677.db2.gz XTZHWBRZVYBMEV-UHFFFAOYSA-N 0 3 371.525 3.118 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000557564726 505168440 /nfs/dbraw/zinc/16/84/40/505168440.db2.gz FOOWSIRFALPOMA-UNMCSNQZSA-N 0 3 355.526 3.007 20 30 FGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)C(C)(C)C3)sc2C1 ZINC000563546106 505172794 /nfs/dbraw/zinc/17/27/94/505172794.db2.gz YWFPRTGVMIFLIA-AWEZNQCLSA-N 0 3 374.554 3.099 20 30 FGEDHN Cc1ccc2nc(CNC3CCC(Oc4ncccc4C#N)CC3)cn2c1 ZINC000551230930 505181936 /nfs/dbraw/zinc/18/19/36/505181936.db2.gz FXVDINKPFCCDNJ-UHFFFAOYSA-N 0 3 361.449 3.389 20 30 FGEDHN CCNC(=O)C[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000551416543 505221523 /nfs/dbraw/zinc/22/15/23/505221523.db2.gz ORLLHIGKYFSNNC-INIZCTEOSA-N 0 3 368.399 3.317 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000557789189 505231929 /nfs/dbraw/zinc/23/19/29/505231929.db2.gz UNHXZKSPSKXTBI-ROUUACIJSA-N 0 3 371.525 3.189 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C(=O)OC)cc1Br ZINC000551583736 505260321 /nfs/dbraw/zinc/26/03/21/505260321.db2.gz RSKWDVXPMMEUIM-HOCLYGCPSA-N 0 3 368.271 3.307 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000557961346 505272402 /nfs/dbraw/zinc/27/24/02/505272402.db2.gz UJQBNWNZQBJVHT-VAMGGRTRSA-N 0 3 360.498 3.174 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNc2nccc(C#N)c2[N+](=O)[O-])N(C)C)cc1 ZINC000566816353 505279585 /nfs/dbraw/zinc/27/95/85/505279585.db2.gz DZDIMZMLHDGVLX-SFHVURJKSA-N 0 3 367.453 3.197 20 30 FGEDHN N#Cc1ccc(CNCCn2c(=O)[nH]c3ccccc32)c(C(F)(F)F)c1 ZINC000554971151 505316189 /nfs/dbraw/zinc/31/61/89/505316189.db2.gz LSEZJNCMTCBBMV-UHFFFAOYSA-N 0 3 360.339 3.422 20 30 FGEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@@H]2c3ccccc3CCN2C1=O)C(C)C ZINC000558227536 505339292 /nfs/dbraw/zinc/33/92/92/505339292.db2.gz OOVBZWGQZAHZAK-PMACEKPBSA-N 0 3 367.493 3.247 20 30 FGEDHN Cc1ccc(C)c(OC[C@H](O)CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000567142132 505376169 /nfs/dbraw/zinc/37/61/69/505376169.db2.gz FGPDOSZVYNYBDX-OAQYLSRUSA-N 0 3 368.477 3.063 20 30 FGEDHN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000555256553 505392247 /nfs/dbraw/zinc/39/22/47/505392247.db2.gz LQASGXZHBWBUQN-UHFFFAOYSA-N 0 3 368.529 3.474 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000558450667 505393356 /nfs/dbraw/zinc/39/33/56/505393356.db2.gz KHFKIWLVAJGXNP-ROUUACIJSA-N 0 3 369.513 3.270 20 30 FGEDHN C[C@@H]1CCc2ccc(Br)cc2[C@@H](NCCn2cnc(C#N)n2)C1 ZINC000552099543 505400136 /nfs/dbraw/zinc/40/01/36/505400136.db2.gz MAQMFKYSTBNDMC-WBMJQRKESA-N 0 3 374.286 3.216 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000564403876 505410179 /nfs/dbraw/zinc/41/01/79/505410179.db2.gz TXUVRNVISNWYLZ-GIVPXCGWSA-N 0 3 357.494 3.188 20 30 FGEDHN N#CC(C(=O)c1ccc2c(c1)CCCCC2=O)c1nnc2n1CCCCC2 ZINC000564510594 505437736 /nfs/dbraw/zinc/43/77/36/505437736.db2.gz MQYGDLZTGWGJQM-QGZVFWFLSA-N 0 3 362.433 3.404 20 30 FGEDHN CN(C)C[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(Cl)cc1 ZINC000552259273 505443572 /nfs/dbraw/zinc/44/35/72/505443572.db2.gz XCEYHJPENNDXLV-GOSISDBHSA-N 0 3 359.832 3.312 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000567403337 505452921 /nfs/dbraw/zinc/45/29/21/505452921.db2.gz MFBRAUDXPWCUPC-IXDOHACOSA-N 0 3 372.538 3.045 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ncc(C#N)cc1Cl ZINC000558740386 505479982 /nfs/dbraw/zinc/47/99/82/505479982.db2.gz HWPFBNSAZQPMSJ-UHFFFAOYSA-N 0 3 356.857 3.247 20 30 FGEDHN C=CCOc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000552705436 505539185 /nfs/dbraw/zinc/53/91/85/505539185.db2.gz FSOTXRZXUXLJCZ-HXUWFJFHSA-N 0 3 365.477 3.175 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)C(C)S(=O)(=O)Cc1ccccc1 ZINC000564960225 505563052 /nfs/dbraw/zinc/56/30/52/505563052.db2.gz DCJPNICRGFAKES-HNNXBMFYSA-N 0 3 363.504 3.266 20 30 FGEDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599260577 506388018 /nfs/dbraw/zinc/38/80/18/506388018.db2.gz BSPYFEDJVQDCSI-CQSZACIVSA-N 0 3 357.281 3.497 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC(OCC3CCCCC3)CC2)CCOCC1 ZINC000599300572 506402676 /nfs/dbraw/zinc/40/26/76/506402676.db2.gz SLZPINNBDANOCB-LJQANCHMSA-N 0 3 364.530 3.119 20 30 FGEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000608070646 506406616 /nfs/dbraw/zinc/40/66/16/506406616.db2.gz FLVKSTKDTUUFMT-CEMLEFRQSA-N 0 3 362.473 3.498 20 30 FGEDHN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1C#N ZINC000599437542 506456328 /nfs/dbraw/zinc/45/63/28/506456328.db2.gz SHYUZLHFCKXIKI-NRFANRHFSA-N 0 3 350.462 3.487 20 30 FGEDHN COC(=O)c1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000599634087 506542108 /nfs/dbraw/zinc/54/21/08/506542108.db2.gz OIYRTWOSFGGQHI-UHFFFAOYSA-N 0 3 350.418 3.140 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NCC2(C#N)CCCC2)CCN1Cc1ccccc1 ZINC000593374273 506583724 /nfs/dbraw/zinc/58/37/24/506583724.db2.gz YHYVXLKQGMQCHC-MJGOQNOKSA-N 0 3 354.498 3.423 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NCCCN2CCc3ccccc3C2)cc1F ZINC000596777199 506592044 /nfs/dbraw/zinc/59/20/44/506592044.db2.gz VHUUQKHHSNBQJK-UHFFFAOYSA-N 0 3 355.388 3.015 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)[C@H]2CCCO2)c1C#N ZINC000612503586 506599724 /nfs/dbraw/zinc/59/97/24/506599724.db2.gz IYZDVSAEUKEHMZ-RDTXWAMCSA-N 0 3 358.486 3.187 20 30 FGEDHN COc1ccc(CN2CCCN(c3nc4c(cc3C#N)CCC4)CC2)cc1 ZINC000603844871 506632567 /nfs/dbraw/zinc/63/25/67/506632567.db2.gz BCSFVFHZUWQDJC-UHFFFAOYSA-N 0 3 362.477 3.163 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000589743978 506641138 /nfs/dbraw/zinc/64/11/38/506641138.db2.gz VNUBOACKZGQFIU-NMLACTOBSA-N 0 3 355.482 3.148 20 30 FGEDHN CN(C(=O)NCC1(C#N)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000596861052 506642259 /nfs/dbraw/zinc/64/22/59/506642259.db2.gz CHNRSPTWTHUIKA-IBGZPJMESA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCNC(=O)[C@H](C)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000603892364 506649454 /nfs/dbraw/zinc/64/94/54/506649454.db2.gz OCHNEASPKVRHKG-FXAWDEMLSA-N 0 3 372.509 3.126 20 30 FGEDHN CCCN(CCN1CCCCC1)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599812375 506650353 /nfs/dbraw/zinc/65/03/53/506650353.db2.gz LELDBCKAOUBTDE-UHFFFAOYSA-N 0 3 362.449 3.436 20 30 FGEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H](C)C1 ZINC000590049696 506715822 /nfs/dbraw/zinc/71/58/22/506715822.db2.gz SLBDBBXIKCNKBJ-KHYOSLBOSA-N 0 3 364.449 3.016 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3nc4c(s3)CCC4)CC2)c1 ZINC000593693149 506734509 /nfs/dbraw/zinc/73/45/09/506734509.db2.gz QUCSMIRDFIMXHS-UHFFFAOYSA-N 0 3 352.507 3.258 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)N2CC[C@@](F)(C#N)C2)N(CC)CC)cc1 ZINC000590100142 506734597 /nfs/dbraw/zinc/73/45/97/506734597.db2.gz INOMFHRFSCEXGQ-UYAOXDASSA-N 0 3 360.477 3.279 20 30 FGEDHN CC(C)N(C(=O)Cc1ccc(C#N)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000600067933 506764211 /nfs/dbraw/zinc/76/42/11/506764211.db2.gz YCRMXKMGZFQKDI-OAQYLSRUSA-N 0 3 362.477 3.007 20 30 FGEDHN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CCN1CCc2ccccc2C1 ZINC000593845572 506799058 /nfs/dbraw/zinc/79/90/58/506799058.db2.gz LUJDTKNAHAEGCW-UHFFFAOYSA-N 0 3 359.433 3.130 20 30 FGEDHN CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000609189530 506807205 /nfs/dbraw/zinc/80/72/05/506807205.db2.gz VSKBWTFDOQUFRE-HXUWFJFHSA-N 0 3 356.514 3.472 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000609204486 506812961 /nfs/dbraw/zinc/81/29/61/506812961.db2.gz RBOMBRXSPPTKOT-UYAOXDASSA-N 0 3 354.425 3.121 20 30 FGEDHN Cc1nc(SCC(=O)N[C@H](C)CN2CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000604440503 506834008 /nfs/dbraw/zinc/83/40/08/506834008.db2.gz FHKKSKHNRGKDNQ-UONOGXRCSA-N 0 3 374.554 3.207 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000594002369 506875982 /nfs/dbraw/zinc/87/59/82/506875982.db2.gz OHGVFIKTJLAWNY-QGZVFWFLSA-N 0 3 362.477 3.165 20 30 FGEDHN C[C@H](NC1(CNC(=O)C2(C#N)CCCCC2)CCOCC1)c1ccccc1 ZINC000609595455 506938332 /nfs/dbraw/zinc/93/83/32/506938332.db2.gz VHHFCDDCSPRVEO-SFHVURJKSA-N 0 3 369.509 3.477 20 30 FGEDHN N#CCCN(C(=O)CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000590758566 506940899 /nfs/dbraw/zinc/94/08/99/506940899.db2.gz QZCIUWDDNGAWDL-UXHICEINSA-N 0 3 367.493 3.214 20 30 FGEDHN Cc1csc(NC(=O)NCc2cccc(OCCN(C)C)c2)c1C#N ZINC000594110159 506945461 /nfs/dbraw/zinc/94/54/61/506945461.db2.gz GHPXOYUZFSSEFQ-UHFFFAOYSA-N 0 3 358.467 3.190 20 30 FGEDHN Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c(C#N)cc1N(C)C ZINC000594113837 506948374 /nfs/dbraw/zinc/94/83/74/506948374.db2.gz STIPYVYUHXQBRV-WMZOPIPTSA-N 0 3 355.486 3.071 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)N[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000594213304 507012944 /nfs/dbraw/zinc/01/29/44/507012944.db2.gz UVNPMLPSZUJMBE-OAQYLSRUSA-N 0 3 360.461 3.248 20 30 FGEDHN Cc1cccc(N2CCN(CCCCNC(=O)CCCCC#N)CC2)c1 ZINC000594232426 507029316 /nfs/dbraw/zinc/02/93/16/507029316.db2.gz ULWWRUMHPYDMOU-UHFFFAOYSA-N 0 3 356.514 3.097 20 30 FGEDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCCCCC#N)CC1 ZINC000597617957 507033223 /nfs/dbraw/zinc/03/32/23/507033223.db2.gz YIQDICFOFZHJMI-GOSISDBHSA-N 0 3 351.535 3.180 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000590940166 507047772 /nfs/dbraw/zinc/04/77/72/507047772.db2.gz WYJYPHJMMMTYOA-IBGZPJMESA-N 0 3 368.506 3.380 20 30 FGEDHN CC(C#N)C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000609921650 507052503 /nfs/dbraw/zinc/05/25/03/507052503.db2.gz YDQPTLUMFVQWCU-INIZCTEOSA-N 0 3 367.424 3.213 20 30 FGEDHN Cc1ccccc1CN1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000613411433 507075965 /nfs/dbraw/zinc/07/59/65/507075965.db2.gz AYBSCXSFUBXVBA-UHFFFAOYSA-N 0 3 350.422 3.487 20 30 FGEDHN COc1cc(CNC[C@@H](O)CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000600713542 507078358 /nfs/dbraw/zinc/07/83/58/507078358.db2.gz BSQLOMJDNORNFK-IBGZPJMESA-N 0 3 366.461 3.419 20 30 FGEDHN CC(C)COc1ccccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600719745 507079680 /nfs/dbraw/zinc/07/96/80/507079680.db2.gz KHOFIXJGKSZKIG-LJQANCHMSA-N 0 3 354.450 3.123 20 30 FGEDHN COCC1(N(C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000591021559 507082438 /nfs/dbraw/zinc/08/24/38/507082438.db2.gz ZIXCVAOZSRYKRU-CYBMUJFWSA-N 0 3 361.511 3.184 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2cc(Cl)ccc2OC(F)F)CCOCC1 ZINC000600726443 507085713 /nfs/dbraw/zinc/08/57/13/507085713.db2.gz FUKYUMSBSQDOFG-CQSZACIVSA-N 0 3 374.815 3.102 20 30 FGEDHN CC(C)c1ccccc1OCCNC[C@@H](O)COc1ccccc1C#N ZINC000600725833 507085755 /nfs/dbraw/zinc/08/57/55/507085755.db2.gz KKFASUAFUXIVIO-GOSISDBHSA-N 0 3 354.450 3.090 20 30 FGEDHN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594429390 507127651 /nfs/dbraw/zinc/12/76/51/507127651.db2.gz SWERFUSNNBSEKL-GOSISDBHSA-N 0 3 370.497 3.217 20 30 FGEDHN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594430148 507129470 /nfs/dbraw/zinc/12/94/70/507129470.db2.gz ZHKACXMBIZLBQP-INIZCTEOSA-N 0 3 364.877 3.172 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000594435934 507130968 /nfs/dbraw/zinc/13/09/68/507130968.db2.gz BDOKHIAHGNSYNV-KRWDZBQOSA-N 0 3 356.401 3.040 20 30 FGEDHN COc1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCCC#N)cn2)cc1 ZINC000594438880 507132645 /nfs/dbraw/zinc/13/26/45/507132645.db2.gz MSYZXONFXYGFJQ-KRWDZBQOSA-N 0 3 354.410 3.232 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000594440997 507135012 /nfs/dbraw/zinc/13/50/12/507135012.db2.gz KMRAVMFDYVGKDR-ZWKOTPCHSA-N 0 3 362.905 3.004 20 30 FGEDHN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H](N)CCCCC#N ZINC000594445676 507136657 /nfs/dbraw/zinc/13/66/57/507136657.db2.gz JWWJEIZFDKFJCV-ABAIWWIYSA-N 0 3 370.266 3.047 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000594446103 507137248 /nfs/dbraw/zinc/13/72/48/507137248.db2.gz PKELFCYQMAXOEM-CZUORRHYSA-N 0 3 370.280 3.384 20 30 FGEDHN N#Cc1cnc2c(F)ccc(F)c2c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000610246518 507158368 /nfs/dbraw/zinc/15/83/68/507158368.db2.gz FFMBDZLIYSRPNN-INIZCTEOSA-N 0 3 364.399 3.493 20 30 FGEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000597926102 507178410 /nfs/dbraw/zinc/17/84/10/507178410.db2.gz VEXCCIOMHXFRAW-INIZCTEOSA-N 0 3 367.449 3.333 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1C ZINC000610319445 507191637 /nfs/dbraw/zinc/19/16/37/507191637.db2.gz AJBPUVGKNBSYNR-GDBMZVCRSA-N 0 3 365.437 3.350 20 30 FGEDHN Cn1cccc1[C@@H]1CCCCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610476751 507255452 /nfs/dbraw/zinc/25/54/52/507255452.db2.gz IJFKBPQJOYBJAB-NQIIRXRSSA-N 0 3 353.466 3.058 20 30 FGEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000591483458 507267516 /nfs/dbraw/zinc/26/75/16/507267516.db2.gz XUDHAWWDDLKJOS-KRWDZBQOSA-N 0 3 365.437 3.303 20 30 FGEDHN N#Cc1cc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nc(C2CC2)n1 ZINC000601165213 507284823 /nfs/dbraw/zinc/28/48/23/507284823.db2.gz KIPPDJKIUSPQBV-QFIPXVFZSA-N 0 3 359.477 3.328 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](n3ccnc3)C2)cc1Cl ZINC000610572760 507296643 /nfs/dbraw/zinc/29/66/43/507296643.db2.gz LFXYTUJRORADGJ-MRXNPFEDSA-N 0 3 357.845 3.074 20 30 FGEDHN N#CC1(c2ccc(CNC[C@H](c3cccs3)N3CCOCC3)cc2)CC1 ZINC000594920552 507315495 /nfs/dbraw/zinc/31/54/95/507315495.db2.gz FKGHZPSQNQTTFY-LJQANCHMSA-N 0 3 367.518 3.466 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000584451338 507350223 /nfs/dbraw/zinc/35/02/23/507350223.db2.gz AIDJDMCWNHQZFT-XRUHUAOSSA-N 0 3 361.530 3.099 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000584451335 507351045 /nfs/dbraw/zinc/35/10/45/507351045.db2.gz AIDJDMCWNHQZFT-KLNHMZTKSA-N 0 3 361.530 3.099 20 30 FGEDHN CN1CCO[C@H]([C@H](NCCc2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000595056059 507371600 /nfs/dbraw/zinc/37/16/00/507371600.db2.gz QAZYIDZIEWDYDC-LEWJYISDSA-N 0 3 369.896 3.416 20 30 FGEDHN CN1CCO[C@@H]([C@H](NCCc2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000595056060 507372240 /nfs/dbraw/zinc/37/22/40/507372240.db2.gz QAZYIDZIEWDYDC-NHCUHLMSSA-N 0 3 369.896 3.416 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000591833876 507384603 /nfs/dbraw/zinc/38/46/03/507384603.db2.gz KESSXGWXMAZEKE-FPOVZHCZSA-N 0 3 354.425 3.469 20 30 FGEDHN Cc1cc(N)cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000601566825 507390267 /nfs/dbraw/zinc/39/02/67/507390267.db2.gz HICJLDLJSICDAD-UHFFFAOYSA-N 0 3 351.454 3.045 20 30 FGEDHN Cc1ccc2c(c1Br)CN(C(=O)[C@H](N)CCCCC#N)C2 ZINC000595258875 507442436 /nfs/dbraw/zinc/44/24/36/507442436.db2.gz FRZYIXCAORWMOP-CQSZACIVSA-N 0 3 350.260 3.011 20 30 FGEDHN C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000595264046 507444327 /nfs/dbraw/zinc/44/43/27/507444327.db2.gz HQBIOVBRXCDWAU-JSNMRZPZSA-N 0 3 366.440 3.367 20 30 FGEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000584690098 507451800 /nfs/dbraw/zinc/45/18/00/507451800.db2.gz UUQQSUQRFZABPQ-IMRHEYAYSA-N 0 3 361.489 3.425 20 30 FGEDHN Cc1cc(C(=O)NC2CCN(CCc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000595303682 507455254 /nfs/dbraw/zinc/45/52/54/507455254.db2.gz APQWMIBVVINHOY-UHFFFAOYSA-N 0 3 351.450 3.205 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000592068643 507474413 /nfs/dbraw/zinc/47/44/13/507474413.db2.gz KMZGKHLLISMFQN-UHFFFAOYSA-N 0 3 370.493 3.036 20 30 FGEDHN CC(C)(CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000595435581 507496708 /nfs/dbraw/zinc/49/67/08/507496708.db2.gz QSLUZKFELQNLHU-KRWDZBQOSA-N 0 3 354.498 3.159 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000598575259 507496927 /nfs/dbraw/zinc/49/69/27/507496927.db2.gz IBCPDQGXTLKHGN-YWZLYKJASA-N 0 3 359.429 3.443 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)NCCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000595493192 507528453 /nfs/dbraw/zinc/52/84/53/507528453.db2.gz DOZIGEUIJPFZCV-HXUWFJFHSA-N 0 3 350.466 3.011 20 30 FGEDHN N#CCN1CCC(N[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000611166890 507543273 /nfs/dbraw/zinc/54/32/73/507543273.db2.gz VREPWBDLGDYBEP-HNNXBMFYSA-N 0 3 352.251 3.153 20 30 FGEDHN COCC1(N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000611178826 507548754 /nfs/dbraw/zinc/54/87/54/507548754.db2.gz PFHPJLLQAWUAFB-UHFFFAOYSA-N 0 3 361.511 3.328 20 30 FGEDHN C=CCn1c(Cc2ccccc2Cl)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000584869069 507549566 /nfs/dbraw/zinc/54/95/66/507549566.db2.gz VHHFFGNWXXYDLN-QGZVFWFLSA-N 0 3 371.916 3.381 20 30 FGEDHN CN1CCC(Oc2ccc(CNCc3cccc(F)c3C#N)cc2)CC1 ZINC000602018561 507557456 /nfs/dbraw/zinc/55/74/56/507557456.db2.gz ZCJHIZSMTUKPCO-UHFFFAOYSA-N 0 3 353.441 3.460 20 30 FGEDHN N#Cc1c(F)cccc1CNCCCCn1cc(Br)cn1 ZINC000602017475 507557477 /nfs/dbraw/zinc/55/74/77/507557477.db2.gz RBGCNZCOPNXNET-UHFFFAOYSA-N 0 3 351.223 3.226 20 30 FGEDHN CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)C1CC1 ZINC000595586337 507576572 /nfs/dbraw/zinc/57/65/72/507576572.db2.gz JVEHCJVQOFKZPJ-AZUAARDMSA-N 0 3 354.498 3.232 20 30 FGEDHN N#CCCCOc1cccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000611254037 507581647 /nfs/dbraw/zinc/58/16/47/507581647.db2.gz IBZHBDLWTDMZEC-NRFANRHFSA-N 0 3 357.498 3.056 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611255711 507583472 /nfs/dbraw/zinc/58/34/72/507583472.db2.gz LPUCFTAOEQNTSR-UHFFFAOYSA-N 0 3 357.479 3.342 20 30 FGEDHN C[C@H](NCCCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000611389565 507656549 /nfs/dbraw/zinc/65/65/49/507656549.db2.gz ZNWFQOKYRCNOKN-HNNXBMFYSA-N 0 3 358.463 3.081 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000611390220 507658926 /nfs/dbraw/zinc/65/89/26/507658926.db2.gz KLVWEDPLAKOEGL-GMAHTHKFSA-N 0 3 361.489 3.426 20 30 FGEDHN CS(=O)(=O)Cc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393933 507659682 /nfs/dbraw/zinc/65/96/82/507659682.db2.gz TZBQJGOZYSRGEJ-FQEVSTJZSA-N 0 3 354.475 3.270 20 30 FGEDHN COC(=O)COc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394944 507661433 /nfs/dbraw/zinc/66/14/33/507661433.db2.gz WKCLTTYMZUWDPT-HXUWFJFHSA-N 0 3 350.418 3.277 20 30 FGEDHN COc1ccc(C[C@@H]2CCCN(Cc3cnc4c(C#N)cnn4c3)C2)cc1 ZINC000592501540 507682812 /nfs/dbraw/zinc/68/28/12/507682812.db2.gz YZLBRSUUFAZYIG-KRWDZBQOSA-N 0 3 361.449 3.064 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]([C@H]4CCCCO4)C3)C2=O)cc1 ZINC000595790165 507687182 /nfs/dbraw/zinc/68/71/82/507687182.db2.gz ULJOANILOBLCHA-HLAWJBBLSA-N 0 3 367.493 3.335 20 30 FGEDHN CN1CCC(n2cc(NC(=O)Nc3ccc(C#N)c(Cl)c3)cn2)CC1 ZINC000602403711 507696233 /nfs/dbraw/zinc/69/62/33/507696233.db2.gz YJCWHCQBSKRXNO-UHFFFAOYSA-N 0 3 358.833 3.319 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2Cc2cccc(OC)c2)CC1 ZINC000592526115 507696992 /nfs/dbraw/zinc/69/69/92/507696992.db2.gz JZGVBMRYFFIRTG-IBGZPJMESA-N 0 3 357.498 3.062 20 30 FGEDHN CCN1CCN(c2ccccc2N[C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602490110 507723634 /nfs/dbraw/zinc/72/36/34/507723634.db2.gz AEDKTMLSXVJKER-GOSISDBHSA-N 0 3 356.514 3.339 20 30 FGEDHN CC(C)(COc1ncccc1Br)NCc1ccnc(C#N)c1 ZINC000611530831 507725429 /nfs/dbraw/zinc/72/54/29/507725429.db2.gz FZCFEXRJQKUBKI-UHFFFAOYSA-N 0 3 361.243 3.058 20 30 FGEDHN Cc1cc(C#N)cc(NC2CCN(CCOc3ccc(F)cc3)CC2)n1 ZINC000587994441 507727174 /nfs/dbraw/zinc/72/71/74/507727174.db2.gz AGNUZTYRRDDWML-UHFFFAOYSA-N 0 3 354.429 3.356 20 30 FGEDHN COc1ccc([C@@H](CNCc2cccc(C#N)n2)N2CCCCC2)cc1 ZINC000602500256 507730139 /nfs/dbraw/zinc/73/01/39/507730139.db2.gz XTQGWMKEXNAVNQ-OAQYLSRUSA-N 0 3 350.466 3.279 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000602520144 507737177 /nfs/dbraw/zinc/73/71/77/507737177.db2.gz FNNWQQRXWRVXSR-OALUTQOASA-N 0 3 371.525 3.096 20 30 FGEDHN C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[C@@H](N)c1ccccc1 ZINC000602553583 507747951 /nfs/dbraw/zinc/74/79/51/507747951.db2.gz DLWXQEYMVIGCPD-OXJNMPFZSA-N 0 3 363.461 3.016 20 30 FGEDHN CC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736559062 598680132 /nfs/dbraw/zinc/68/01/32/598680132.db2.gz UGERNTNZADVVNV-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736559062 598680133 /nfs/dbraw/zinc/68/01/33/598680133.db2.gz UGERNTNZADVVNV-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736559062 598680134 /nfs/dbraw/zinc/68/01/34/598680134.db2.gz UGERNTNZADVVNV-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN CC[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736559062 598680135 /nfs/dbraw/zinc/68/01/35/598680135.db2.gz UGERNTNZADVVNV-ZDUSSCGKSA-N 0 3 350.401 3.461 20 30 FGEDHN C=CCC[C@H](CC)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823894395 608287656 /nfs/dbraw/zinc/28/76/56/608287656.db2.gz PEXNAKDDCJDTAJ-GTPINHCMSA-N 0 3 356.474 3.286 20 30 FGEDHN C=CCC[C@H](CC)[NH2+]C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823894395 608287657 /nfs/dbraw/zinc/28/76/57/608287657.db2.gz PEXNAKDDCJDTAJ-GTPINHCMSA-N 0 3 356.474 3.286 20 30 FGEDHN CCCCCCC[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825272295 609155969 /nfs/dbraw/zinc/15/59/69/609155969.db2.gz ZTOLVTXBSHBLHB-UHFFFAOYSA-N 0 3 356.518 3.391 20 30 FGEDHN CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823958576 609516005 /nfs/dbraw/zinc/51/60/05/609516005.db2.gz RGCCYHIOILFQCR-SFHVURJKSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958576 609516007 /nfs/dbraw/zinc/51/60/07/609516007.db2.gz RGCCYHIOILFQCR-SFHVURJKSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823958576 609516009 /nfs/dbraw/zinc/51/60/09/609516009.db2.gz RGCCYHIOILFQCR-SFHVURJKSA-N 0 3 361.453 3.177 20 30 FGEDHN CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958576 609516010 /nfs/dbraw/zinc/51/60/10/609516010.db2.gz RGCCYHIOILFQCR-SFHVURJKSA-N 0 3 361.453 3.177 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCCCO1 ZINC000121947282 700683082 /nfs/dbraw/zinc/68/30/82/700683082.db2.gz FBXLQCLQLWWMLF-STQMWFEESA-N 0 3 354.378 3.218 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)[C@@H]1CCSC1 ZINC000123720905 700709127 /nfs/dbraw/zinc/70/91/27/700709127.db2.gz WZGLVKBIGZPOCC-HUUCEWRRSA-N 0 3 357.504 3.424 20 30 FGEDHN N#CC(C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccccn1 ZINC000125109682 700730638 /nfs/dbraw/zinc/73/06/38/700730638.db2.gz XNXULQAYRORTIP-CQSZACIVSA-N 0 3 359.838 3.316 20 30 FGEDHN N#CC(C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccccn1 ZINC000125109486 700730640 /nfs/dbraw/zinc/73/06/40/700730640.db2.gz XNXULQAYRORTIP-AWEZNQCLSA-N 0 3 359.838 3.316 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSc2ccccc2C)cc1 ZINC000131651816 700818180 /nfs/dbraw/zinc/81/81/80/700818180.db2.gz TYHJMYBGVAJDGP-INIZCTEOSA-N 0 3 354.431 3.443 20 30 FGEDHN CSC[C@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000135451575 704845920 /nfs/dbraw/zinc/84/59/20/704845920.db2.gz HIYXMVVTPPQTKI-HUUCEWRRSA-N 0 3 352.463 3.051 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CC[C@H](OCCOCC)C1 ZINC000138477029 704873915 /nfs/dbraw/zinc/87/39/15/704873915.db2.gz UXDCTAVZQWNGAA-INIZCTEOSA-N 0 3 361.511 3.399 20 30 FGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](CC)C(=O)N2CCOCC2)cc1 ZINC000165194019 705337598 /nfs/dbraw/zinc/33/75/98/705337598.db2.gz HLSLTXLSPSUJKI-YJBOKZPZSA-N 0 3 366.889 3.106 20 30 FGEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000178980774 705683803 /nfs/dbraw/zinc/68/38/03/705683803.db2.gz FTBWBVRTSUODJF-AWEZNQCLSA-N 0 3 357.797 3.483 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000193380702 712889110 /nfs/dbraw/zinc/88/91/10/712889110.db2.gz FDZDKCLPQQTQQT-KGLIPLIRSA-N 0 3 350.846 3.431 20 30 FGEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)c1 ZINC000193427736 712890711 /nfs/dbraw/zinc/89/07/11/712890711.db2.gz WCKAGVNJIXWSQP-AWEZNQCLSA-N 0 3 360.772 3.378 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(Br)c2)cc1 ZINC000193446773 712891913 /nfs/dbraw/zinc/89/19/13/712891913.db2.gz MRHSQTHMHJACIM-OAHLLOKOSA-N 0 3 372.222 3.368 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N[C@@H]2CCCNC2=O)c2cccs2)CC1 ZINC000328680407 713825320 /nfs/dbraw/zinc/82/53/20/713825320.db2.gz NQISTSPKFGOJAN-HUUCEWRRSA-N 0 3 364.515 3.144 20 30 FGEDHN Cc1nsc(N2CCN(C[C@@H]3CCc4ccccc4C3)CC2)c1C#N ZINC000577665272 714467255 /nfs/dbraw/zinc/46/72/55/714467255.db2.gz KHTGOYJCNGNKPR-MRXNPFEDSA-N 0 3 352.507 3.250 20 30 FGEDHN CN(C)[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000619770298 714869818 /nfs/dbraw/zinc/86/98/18/714869818.db2.gz OXNBXMZZTDMJNY-SFHVURJKSA-N 0 3 356.857 3.314 20 30 FGEDHN CC1(C#N)CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000779725035 724423780 /nfs/dbraw/zinc/42/37/80/724423780.db2.gz NUIOQDNISSVENC-UHFFFAOYSA-N 0 3 356.539 3.151 20 30 FGEDHN C=CCOc1c(Cl)cc(CN(C[C@@H]2CCC(=O)N2)C(C)C)cc1OC ZINC000628313401 716138036 /nfs/dbraw/zinc/13/80/36/716138036.db2.gz NVCAQEFZRLVJGV-HNNXBMFYSA-N 0 3 366.889 3.402 20 30 FGEDHN C=CCOc1c(Br)cc(CN(C[C@@H](C)O)C2CC2)cc1OC ZINC000656281077 719387641 /nfs/dbraw/zinc/38/76/41/719387641.db2.gz RGWGNBPDFHIYNR-GFCCVEGCSA-N 0 3 370.287 3.368 20 30 FGEDHN C=CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H](C)COC ZINC000663450822 720516367 /nfs/dbraw/zinc/51/63/67/720516367.db2.gz MCTDJAMYKCHXLX-HOTGVXAUSA-N 0 3 351.516 3.118 20 30 FGEDHN C#CCN(C[C@H](C)COC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783565981 724765939 /nfs/dbraw/zinc/76/59/39/724765939.db2.gz AANWIVDOFHIBHV-XJKSGUPXSA-N 0 3 352.272 3.490 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccnc1C ZINC000685566682 722390745 /nfs/dbraw/zinc/39/07/45/722390745.db2.gz BZBVZHPMHRRUBE-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000730981797 722472412 /nfs/dbraw/zinc/47/24/12/722472412.db2.gz LIIKOPKUZIHEAH-GFCCVEGCSA-N 0 3 367.262 3.111 20 30 FGEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[O-] ZINC000741465309 722546205 /nfs/dbraw/zinc/54/62/05/722546205.db2.gz UESPHFFCQFMEEJ-YPPCLWPPSA-N 0 3 359.495 3.151 20 30 FGEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[O-] ZINC000741465309 722546206 /nfs/dbraw/zinc/54/62/06/722546206.db2.gz UESPHFFCQFMEEJ-YPPCLWPPSA-N 0 3 359.495 3.151 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000750687887 722777529 /nfs/dbraw/zinc/77/75/29/722777529.db2.gz QEWKAJRPZYIKHX-YMTOWFKASA-N 0 3 365.220 3.178 20 30 FGEDHN CC(C)(C)[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000790435386 723139644 /nfs/dbraw/zinc/13/96/44/723139644.db2.gz LREYFQKEOYECOS-DYVFJYSZSA-N 0 3 357.479 3.219 20 30 FGEDHN N#CCOc1ccc(CNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000792976886 723389075 /nfs/dbraw/zinc/38/90/75/723389075.db2.gz SUTKZHWQTRNZON-UHFFFAOYSA-N 0 3 353.813 3.113 20 30 FGEDHN C#CCCCN[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000766727948 723589048 /nfs/dbraw/zinc/58/90/48/723589048.db2.gz JUDABMMFSNUOGH-HXUWFJFHSA-N 0 3 357.475 3.191 20 30 FGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1Cl ZINC000766840967 723595226 /nfs/dbraw/zinc/59/52/26/723595226.db2.gz OPLYDCIMSVPMGD-LLVKDONJSA-N 0 3 364.188 3.358 20 30 FGEDHN C[C@@H](NC(=O)c1cccs1)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797572109 723836430 /nfs/dbraw/zinc/83/64/30/723836430.db2.gz YWPSNIMJBRXDJL-MNOVXSKESA-N 0 3 361.492 3.497 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)[C@H]1CCSC1 ZINC000773983290 723845732 /nfs/dbraw/zinc/84/57/32/723845732.db2.gz WZGLVKBIGZPOCC-LSDHHAIUSA-N 0 3 357.504 3.424 20 30 FGEDHN S=C(NN=C1CCC12CCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000799868619 724105934 /nfs/dbraw/zinc/10/59/34/724105934.db2.gz ZDXWKGLGZKVFAQ-UHFFFAOYSA-N 0 3 356.539 3.435 20 30 FGEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)CCO1 ZINC000776514531 724153937 /nfs/dbraw/zinc/15/39/37/724153937.db2.gz FBBIDTCRSPYJIA-UHIISALHSA-N 0 3 368.405 3.464 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800410797 724193234 /nfs/dbraw/zinc/19/32/34/724193234.db2.gz ZNAJALXRJYOUGB-MFKMUULPSA-N 0 3 356.319 3.115 20 30 FGEDHN C=CCc1ccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c(OC)c1 ZINC000788582103 725073907 /nfs/dbraw/zinc/07/39/07/725073907.db2.gz HXZSLQIUORMTCO-UHFFFAOYSA-N 0 3 361.463 3.253 20 30 FGEDHN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NN[C@@H]1CCSC1 ZINC000808002268 725179140 /nfs/dbraw/zinc/17/91/40/725179140.db2.gz YHSCPEKTPAHZRD-MRXNPFEDSA-N 0 3 355.511 3.210 20 30 FGEDHN C=CCCCCCCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000808419190 725200046 /nfs/dbraw/zinc/20/00/46/725200046.db2.gz NPWZZIFOGBYRFD-OAHLLOKOSA-N 0 3 373.950 3.431 20 30 FGEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](CC)O1 ZINC000817280475 727235837 /nfs/dbraw/zinc/23/58/37/727235837.db2.gz HHXIVRSCTIDLBG-KFWWJZLASA-N 0 3 357.479 3.362 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1oc2ccc(Br)cc2c1C ZINC000818615168 727317153 /nfs/dbraw/zinc/31/71/53/727317153.db2.gz CNYHEQXVZPCLJT-UHFFFAOYSA-N 0 3 363.255 3.189 20 30 FGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(Cl)n(C)n2)cc1 ZINC000835061215 729854309 /nfs/dbraw/zinc/85/43/09/729854309.db2.gz GKWGONLPDAFTAO-CQSZACIVSA-N 0 3 358.829 3.377 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2n(n1)CCC2 ZINC000835064106 729854787 /nfs/dbraw/zinc/85/47/87/729854787.db2.gz BICBJBKWFZOQCE-NSHDSACASA-N 0 3 363.204 3.097 20 30 FGEDHN C=C(Br)CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000836257346 729949969 /nfs/dbraw/zinc/94/99/69/729949969.db2.gz SOZRQNIUBKQQSV-AWEZNQCLSA-N 0 3 366.303 3.059 20 30 FGEDHN C#Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000837356619 730021173 /nfs/dbraw/zinc/02/11/73/730021173.db2.gz GYMHFZPFPPOKCT-SFHVURJKSA-N 0 3 353.491 3.366 20 30 FGEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000838624091 730131810 /nfs/dbraw/zinc/13/18/10/730131810.db2.gz GSLOYVIRODCBSP-MRXNPFEDSA-N 0 3 356.495 3.098 20 30 FGEDHN C#CCN(C)CCCNC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000838623301 730131862 /nfs/dbraw/zinc/13/18/62/730131862.db2.gz ZFXYWYWDQDKKHP-SFHVURJKSA-N 0 3 373.547 3.422 20 30 FGEDHN C[C@@H]1NCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@H]1C ZINC000841831244 730279908 /nfs/dbraw/zinc/27/99/08/730279908.db2.gz RQLZSZWNEXJJOX-KBPBESRZSA-N 0 3 354.479 3.179 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1scnc1C ZINC000842289970 730481068 /nfs/dbraw/zinc/48/10/68/730481068.db2.gz WRPZSLDBIZBWIO-CYBMUJFWSA-N 0 3 357.435 3.130 20 30 FGEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000852100293 731543677 /nfs/dbraw/zinc/54/36/77/731543677.db2.gz VUOIDIBVNXNNRZ-DYVFJYSZSA-N 0 3 351.288 3.188 20 30 FGEDHN COc1ccc(CN[C@H]2Cc3ccc(C#N)cc3C2)c(Br)c1O ZINC000865848551 733281723 /nfs/dbraw/zinc/28/17/23/733281723.db2.gz UKBHTPFHUXLBLE-HNNXBMFYSA-N 0 3 373.250 3.292 20 30 FGEDHN N#CC(C(=O)C=CCOC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000870379955 733845839 /nfs/dbraw/zinc/84/58/39/733845839.db2.gz NMPDFXGRYLJINF-YUKKFKLSSA-N 0 3 354.328 3.028 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000876603856 736119430 /nfs/dbraw/zinc/11/94/30/736119430.db2.gz CENXFOBAQBCXHN-INIZCTEOSA-N 0 3 364.852 3.077 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000876621488 736122746 /nfs/dbraw/zinc/12/27/46/736122746.db2.gz AGVWBEGPLJTXNW-WBMJQRKESA-N 0 3 363.889 3.276 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(Br)cc1Cl ZINC000876624026 736123078 /nfs/dbraw/zinc/12/30/78/736123078.db2.gz ZLNUCMWRPISTGZ-NSHDSACASA-N 0 3 352.059 3.189 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000876725129 736136294 /nfs/dbraw/zinc/13/62/94/736136294.db2.gz NCATYWZVTKTDJZ-KSSFIOAISA-N 0 3 359.857 3.308 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000876895629 736159541 /nfs/dbraw/zinc/15/95/41/736159541.db2.gz GXSDUYMDLZTDMY-QWHCGFSZSA-N 0 3 353.919 3.198 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000876895628 736159731 /nfs/dbraw/zinc/15/97/31/736159731.db2.gz GXSDUYMDLZTDMY-OLZOCXBDSA-N 0 3 353.919 3.198 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C ZINC000876897993 736160206 /nfs/dbraw/zinc/16/02/06/736160206.db2.gz PIPVZWBDGQTSFR-HNNXBMFYSA-N 0 3 351.878 3.356 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000876905551 736161388 /nfs/dbraw/zinc/16/13/88/736161388.db2.gz ISUDAWRAPUQBCB-ONGXEEELSA-N 0 3 372.721 3.478 20 30 FGEDHN C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1[O-] ZINC000879651304 737023863 /nfs/dbraw/zinc/02/38/63/737023863.db2.gz QRKQGGRSYRJQKT-LBPRGKRZSA-N 0 3 355.463 3.493 20 30 FGEDHN CCCN(Cc1c(F)cccc1Cl)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884087079 737631932 /nfs/dbraw/zinc/63/19/32/737631932.db2.gz REQXPXCENDCVJG-SHYRYGCCSA-N 0 3 363.864 3.357 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NCCCc1ccc(Cl)cc1Cl)C2 ZINC000884164779 737639628 /nfs/dbraw/zinc/63/96/28/737639628.db2.gz PYKRPBWYBCTNIB-FVRSWCFKSA-N 0 3 366.292 3.182 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(-c3ccccc3)s1)C2 ZINC000884427857 737663245 /nfs/dbraw/zinc/66/32/45/737663245.db2.gz LCDXOIOGSVWKLY-NGEICVOHSA-N 0 3 351.475 3.171 20 30 FGEDHN C#CCN(C(=O)c1csc(-c2ccccc2F)n1)C1CCN(C)CC1 ZINC000886582488 739272295 /nfs/dbraw/zinc/27/22/95/739272295.db2.gz WTUNHECSRCIOGE-UHFFFAOYSA-N 0 3 357.454 3.119 20 30 FGEDHN C[C@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@@H](c1ccccc1)N(C)C ZINC000894751174 742327055 /nfs/dbraw/zinc/32/70/55/742327055.db2.gz QRIOKXYZKFCEOL-KSSFIOAISA-N 0 3 356.495 3.453 20 30 FGEDHN C[C@@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@H](c1ccccc1)N(C)C ZINC000894751175 742327686 /nfs/dbraw/zinc/32/76/86/742327686.db2.gz QRIOKXYZKFCEOL-RDTXWAMCSA-N 0 3 356.495 3.453 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@@]2(C#N)CCCOC2)cc1C(F)(F)F ZINC000894983243 742360629 /nfs/dbraw/zinc/36/06/29/742360629.db2.gz CATRCACLQOSWPU-MRXNPFEDSA-N 0 3 355.360 3.026 20 30 FGEDHN N#Cc1ccc(CNCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)o1 ZINC000898164224 742751595 /nfs/dbraw/zinc/75/15/95/742751595.db2.gz TYFUEQYWIUBZDJ-UHFFFAOYSA-N 0 3 350.340 3.266 20 30 FGEDHN CN(C)c1ccc([C@@H](CNCc2cc(C#N)cnc2Cl)N(C)C)cc1 ZINC000898450143 742795488 /nfs/dbraw/zinc/79/54/88/742795488.db2.gz OKGHQIFZNRZZSE-GOSISDBHSA-N 0 3 357.889 3.065 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(C#N)CCSCC1 ZINC000903553629 743859159 /nfs/dbraw/zinc/85/91/59/743859159.db2.gz IMPGPQSVVBTXDB-KRWDZBQOSA-N 0 3 357.523 3.146 20 30 FGEDHN C=CC[C@H](C)NCc1nc(Br)c(Br)n1CC ZINC000921756659 758786610 /nfs/dbraw/zinc/78/66/10/758786610.db2.gz YMUOYVSJOCUMHI-QMMMGPOBSA-N 0 3 351.086 3.482 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)C1(C#N)CCSCC1)c1ccsc1 ZINC000930218655 760557023 /nfs/dbraw/zinc/55/70/23/760557023.db2.gz QUWSEESUYCSJHF-OAHLLOKOSA-N 0 3 351.541 3.284 20 30 FGEDHN N#Cc1ccsc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000931833296 760978732 /nfs/dbraw/zinc/97/87/32/760978732.db2.gz BEVYRBSSDYDOTO-UHFFFAOYSA-N 0 3 355.467 3.048 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)N(C)C)cc1 ZINC000932901089 761267677 /nfs/dbraw/zinc/26/76/77/761267677.db2.gz ZDNNKBRDMSZLQM-UONOGXRCSA-N 0 3 374.432 3.155 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972523802 762968140 /nfs/dbraw/zinc/96/81/40/762968140.db2.gz XOYWZELYHICHQO-QYZOEREBSA-N 0 3 362.901 3.354 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(CCCc2ccsc2)CC1(C)C ZINC000975067313 763089719 /nfs/dbraw/zinc/08/97/19/763089719.db2.gz WEBAWIYLFNULQR-SQNIBIBYSA-N 0 3 362.539 3.098 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](NCc2ccc(Cl)s2)C(C)(C)C1 ZINC000996328057 765000447 /nfs/dbraw/zinc/00/04/47/765000447.db2.gz ADBFYPKSIYMGSI-ILXRZTDVSA-N 0 3 368.930 3.319 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1(C2CCN(Cc3ccsc3)CC2)CC1 ZINC001000265155 765213383 /nfs/dbraw/zinc/21/33/83/765213383.db2.gz QSYOBYDEIURZHW-MSOLQXFVSA-N 0 3 360.523 3.200 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNCc2c(F)cccc2Cl)C1 ZINC001027075695 766087823 /nfs/dbraw/zinc/08/78/23/766087823.db2.gz YUCAPOABACTXKI-IYOUNJFTSA-N 0 3 366.864 3.008 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001035236928 766258512 /nfs/dbraw/zinc/25/85/12/766258512.db2.gz FTNLFVLTNCYODQ-QHKPGKFVSA-N 0 3 352.906 3.035 20 30 FGEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)CC2 ZINC001035774111 766266348 /nfs/dbraw/zinc/26/63/48/766266348.db2.gz BYSCOEPTYMCPIM-HUUCEWRRSA-N 0 3 362.926 3.453 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001040706169 766319315 /nfs/dbraw/zinc/31/93/15/766319315.db2.gz NPTFGMOQYAOUFV-KURKYZTESA-N 0 3 352.494 3.030 20 30 FGEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC001041410521 766331103 /nfs/dbraw/zinc/33/11/03/766331103.db2.gz XXUWDVNIZPCCPO-JFIYKMOQSA-N 0 3 354.416 3.079 20 30 FGEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC001041376913 766331133 /nfs/dbraw/zinc/33/11/33/766331133.db2.gz YARHFGKDVSOGBJ-NUJGCVRESA-N 0 3 356.432 3.303 20 30 FGEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001047242843 766632352 /nfs/dbraw/zinc/63/23/52/766632352.db2.gz HMCPTNKNYYPHTL-YSIASYRMSA-N 0 3 356.535 3.435 20 30 FGEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001054211374 767003386 /nfs/dbraw/zinc/00/33/86/767003386.db2.gz OFJKAUZDKSYUAH-ZVDOUQERSA-N 0 3 356.897 3.391 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001054212982 767004262 /nfs/dbraw/zinc/00/42/62/767004262.db2.gz RIWZJAXHTPMNEY-OEUSNAHOSA-N 0 3 366.933 3.425 20 30 FGEDHN Cc1nc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)ccc1C#N ZINC000072007051 221394792 /nfs/dbraw/zinc/39/47/92/221394792.db2.gz LIICYHHAUFUXNG-NRFANRHFSA-N 0 3 362.477 3.465 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NCCCS(=O)(=O)Cc1ccccc1)CC2 ZINC000579652244 505594784 /nfs/dbraw/zinc/59/47/84/505594784.db2.gz UDUFQFCPAZZWOU-FQEVSTJZSA-N 0 3 354.475 3.140 20 30 FGEDHN N#Cc1cnc(CN2CCN(Cc3ccccc3)C3(CCCCC3)C2)nc1 ZINC000570943830 505618100 /nfs/dbraw/zinc/61/81/00/505618100.db2.gz IANBBVNKHNVEIW-UHFFFAOYSA-N 0 3 361.493 3.369 20 30 FGEDHN C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568331182 505667941 /nfs/dbraw/zinc/66/79/41/505667941.db2.gz OPJSDYOPTQRAFT-GOSISDBHSA-N 0 3 362.481 3.170 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCSc3ccccc32)cc1 ZINC000580049762 505670728 /nfs/dbraw/zinc/67/07/28/505670728.db2.gz JQUIQEWZORIFCL-VQIMIIECSA-N 0 3 354.475 3.319 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCCc2c[nH]c3ccccc23)c1 ZINC000577171829 505679291 /nfs/dbraw/zinc/67/92/91/505679291.db2.gz DAKNQUVQBWISQS-UHFFFAOYSA-N 0 3 367.474 3.036 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000080927654 493793119 /nfs/dbraw/zinc/79/31/19/493793119.db2.gz ZORZUAVNYWMMKU-LEWJYISDSA-N 0 3 365.452 3.391 20 30 FGEDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000068487254 493828630 /nfs/dbraw/zinc/82/86/30/493828630.db2.gz OMYQDSOYJNYWTR-HXUWFJFHSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000029754968 493856057 /nfs/dbraw/zinc/85/60/57/493856057.db2.gz DXLLDOUWMHOBCS-YLJYHZDGSA-N 0 3 363.461 3.279 20 30 FGEDHN CN1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000577197974 505685148 /nfs/dbraw/zinc/68/51/48/505685148.db2.gz HYSBPOKMZKLEHN-AZUAARDMSA-N 0 3 358.445 3.328 20 30 FGEDHN CC[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000030144944 493877149 /nfs/dbraw/zinc/87/71/49/493877149.db2.gz FWZSPSDKJWDPFA-OAHLLOKOSA-N 0 3 352.400 3.295 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@](C)(C#N)C3CCCCC3)cc2)CC1 ZINC000081408484 493888248 /nfs/dbraw/zinc/88/82/48/493888248.db2.gz BDMGNROQQPXAIX-JOCHJYFZSA-N 0 3 368.525 3.421 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000050090972 493895855 /nfs/dbraw/zinc/89/58/55/493895855.db2.gz OOQXMIGTTUMPGV-SFHVURJKSA-N 0 3 352.438 3.300 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cccc4c3OCO4)C2)c(F)c1 ZINC000068991451 493903967 /nfs/dbraw/zinc/90/39/67/493903967.db2.gz FKDHHQMIRMLPHJ-MRXNPFEDSA-N 0 3 353.397 3.185 20 30 FGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081533024 493911321 /nfs/dbraw/zinc/91/13/21/493911321.db2.gz WIKBXDSFMQDIRZ-UWJYYQICSA-N 0 3 362.477 3.092 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000076793356 493970803 /nfs/dbraw/zinc/97/08/03/493970803.db2.gz KYVJVJCOYQOEMN-HXUWFJFHSA-N 0 3 363.461 3.015 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C#N)cs1)c1cccc(OC)c1 ZINC000084073063 494045643 /nfs/dbraw/zinc/04/56/43/494045643.db2.gz WPLFCEHDUXISTL-KRWDZBQOSA-N 0 3 357.479 3.441 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000084133469 494049473 /nfs/dbraw/zinc/04/94/73/494049473.db2.gz LVMCISOFDXNOAC-HXUWFJFHSA-N 0 3 366.461 3.279 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)c3cc(C#N)cs3)CC2)cc1 ZINC000084183495 494054096 /nfs/dbraw/zinc/05/40/96/494054096.db2.gz IXYDKRDDZKKJGN-UHFFFAOYSA-N 0 3 369.490 3.270 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000077445689 494085003 /nfs/dbraw/zinc/08/50/03/494085003.db2.gz LFFPAJABLRNIHX-UHFFFAOYSA-N 0 3 353.470 3.249 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(OC)nc1 ZINC000085250183 494113042 /nfs/dbraw/zinc/11/30/42/494113042.db2.gz PRHURCSXZSWETA-UHFFFAOYSA-N 0 3 373.526 3.188 20 30 FGEDHN COc1ccc(CCCN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000072014305 494117012 /nfs/dbraw/zinc/11/70/12/494117012.db2.gz TXAWORZDWUORMK-MRXNPFEDSA-N 0 3 351.450 3.458 20 30 FGEDHN COc1ccc([C@H](O)CNCc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000064613847 494138504 /nfs/dbraw/zinc/13/85/04/494138504.db2.gz OLKCBOARIDVRDY-LJQANCHMSA-N 0 3 370.449 3.210 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C1CC1)C1CCCC1 ZINC000064808629 494150810 /nfs/dbraw/zinc/15/08/10/494150810.db2.gz VMBFBFRMWUSYEY-UHFFFAOYSA-N 0 3 372.513 3.359 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(NC(=O)c3cccs3)CC2)cc1 ZINC000064988077 494163912 /nfs/dbraw/zinc/16/39/12/494163912.db2.gz FSYPZBFPTMZHFI-UHFFFAOYSA-N 0 3 369.490 3.283 20 30 FGEDHN N#CC(C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc2ccccc2[nH]1 ZINC000041494816 494165463 /nfs/dbraw/zinc/16/54/63/494165463.db2.gz GMBBWKDLVLEMRG-NSHDSACASA-N 0 3 360.295 3.389 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000042861040 494249273 /nfs/dbraw/zinc/24/92/73/494249273.db2.gz XCSHNTIQPIEMLO-UHFFFAOYSA-N 0 3 370.884 3.485 20 30 FGEDHN Cc1ccc2nc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)cn2c1 ZINC000054642845 494255800 /nfs/dbraw/zinc/25/58/00/494255800.db2.gz ISFRDTCUTNYIBL-UHFFFAOYSA-N 0 3 359.477 3.222 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccccc1 ZINC000065931195 494257071 /nfs/dbraw/zinc/25/70/71/494257071.db2.gz JLSLWYOEWHGNKZ-UHFFFAOYSA-N 0 3 365.477 3.308 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)NCCc1ccc(F)cc1 ZINC000065987089 494266021 /nfs/dbraw/zinc/26/60/21/494266021.db2.gz DSBBFCFOVYKQRU-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN N#CCOc1cccc(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000089595018 494328307 /nfs/dbraw/zinc/32/83/07/494328307.db2.gz VARKZOUTFPVZSS-OAQYLSRUSA-N 0 3 363.461 3.085 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)COc1ccccc1C#N ZINC000066726962 494396655 /nfs/dbraw/zinc/39/66/55/494396655.db2.gz FNHWVAUFEDWNEZ-UHFFFAOYSA-N 0 3 351.450 3.047 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2ccccn2)no1)C(C)C ZINC000073640571 494405386 /nfs/dbraw/zinc/40/53/86/494405386.db2.gz OFMSMRFDXDCSKS-GOSISDBHSA-N 0 3 354.454 3.165 20 30 FGEDHN CC[NH+](CC)[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)c1cccc(OC)c1 ZINC000017701206 494416515 /nfs/dbraw/zinc/41/65/15/494416515.db2.gz RWXDIKLJHBHSCA-CNSRZQHFSA-N 0 3 371.481 3.099 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000577405564 505721433 /nfs/dbraw/zinc/72/14/33/505721433.db2.gz DUGUYNRXRCSBHU-KUHUBIRLSA-N 0 3 352.438 3.380 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)NC2CCN(C3CC3)CC2)cc1OC ZINC000074001385 494463759 /nfs/dbraw/zinc/46/37/59/494463759.db2.gz AFOQBIPAWIRGFG-WEVVVXLNSA-N 0 3 356.466 3.016 20 30 FGEDHN Cc1ccccc1CN1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000045799589 494464514 /nfs/dbraw/zinc/46/45/14/494464514.db2.gz GWEFXOHRKQUKGX-UHFFFAOYSA-N 0 3 362.477 3.013 20 30 FGEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(SCC#N)c1 ZINC000079535840 494475174 /nfs/dbraw/zinc/47/51/74/494475174.db2.gz PVWYBCBXGYYJLF-GOSISDBHSA-N 0 3 353.491 3.205 20 30 FGEDHN Cc1ccc(C[C@@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000571396953 505723621 /nfs/dbraw/zinc/72/36/21/505723621.db2.gz QRXMTUABIHAWSC-QGZVFWFLSA-N 0 3 356.491 3.170 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)NCCCCN2CCN(CC)CC2)c1 ZINC000067320297 494514599 /nfs/dbraw/zinc/51/45/99/494514599.db2.gz ZAYIKDRYOFPLRF-UHFFFAOYSA-N 0 3 374.529 3.181 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000056554825 494525847 /nfs/dbraw/zinc/52/58/47/494525847.db2.gz USPFKNQCLQLTPR-GOSISDBHSA-N 0 3 364.449 3.353 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCOc3ccccc3F)CC2)cc1 ZINC000022850366 494538568 /nfs/dbraw/zinc/53/85/68/494538568.db2.gz IBMZYVMTIUSJEH-UHFFFAOYSA-N 0 3 353.441 3.284 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067570732 494570857 /nfs/dbraw/zinc/57/08/57/494570857.db2.gz BSSINKNNXCAWNY-JOCHJYFZSA-N 0 3 361.489 3.250 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000080070492 494585617 /nfs/dbraw/zinc/58/56/17/494585617.db2.gz GTPKLPQZUZYDPW-LAUBAEHRSA-N 0 3 362.477 3.411 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnc(-c3ccc(OC)cc3)s2)CC1 ZINC000080079478 494588261 /nfs/dbraw/zinc/58/82/61/494588261.db2.gz AURQGGHQFZAISJ-UHFFFAOYSA-N 0 3 357.479 3.199 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC(F)F)cc1 ZINC000047011340 494617064 /nfs/dbraw/zinc/61/70/64/494617064.db2.gz NTPCZFKAZGIOJP-UHFFFAOYSA-N 0 3 373.403 3.364 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC000092482863 494639834 /nfs/dbraw/zinc/63/98/34/494639834.db2.gz FTYXXEMLGINUIU-UHFFFAOYSA-N 0 3 355.511 3.205 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000067814490 494654851 /nfs/dbraw/zinc/65/48/51/494654851.db2.gz VIJBQBNPOGWVIB-UHFFFAOYSA-N 0 3 355.869 3.345 20 30 FGEDHN N#CCSCCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000074982193 494669379 /nfs/dbraw/zinc/66/93/79/494669379.db2.gz UXPZXYMHCYTECK-UHFFFAOYSA-N 0 3 351.903 3.135 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](N2CCCCC2)C1 ZINC000108380411 494691931 /nfs/dbraw/zinc/69/19/31/494691931.db2.gz NOKNAAIDRCNESK-CTNGQTDRSA-N 0 3 368.525 3.272 20 30 FGEDHN Cc1nn(C)c2ncc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)cc12 ZINC000047372140 494692379 /nfs/dbraw/zinc/69/23/79/494692379.db2.gz KGCROEKUCYYWQU-CYBMUJFWSA-N 0 3 359.311 3.181 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000092704323 494715933 /nfs/dbraw/zinc/71/59/33/494715933.db2.gz ZKIXEKGTEQESJT-QGZVFWFLSA-N 0 3 358.486 3.135 20 30 FGEDHN N#Cc1ccc2ncc(CN3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)n2c1 ZINC000091966653 494739055 /nfs/dbraw/zinc/73/90/55/494739055.db2.gz JBBBZFZRTSPKSB-UYAOXDASSA-N 0 3 364.424 3.433 20 30 FGEDHN COC(=O)[C@H](C)CN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000091987089 494745696 /nfs/dbraw/zinc/74/56/96/494745696.db2.gz ZVYYHNJEQWHNBY-MRXNPFEDSA-N 0 3 352.434 3.378 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)COc1ccccc1C#N ZINC000131844846 494749867 /nfs/dbraw/zinc/74/98/67/494749867.db2.gz AUEPETOZNMXEMW-GOSISDBHSA-N 0 3 363.461 3.060 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)NCc2cccc(C#N)c2)N(C)C)cc1 ZINC000047937678 494797201 /nfs/dbraw/zinc/79/72/01/494797201.db2.gz QGXKQDLPEOMNRA-FQEVSTJZSA-N 0 3 350.466 3.223 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000047937679 494797317 /nfs/dbraw/zinc/79/73/17/494797317.db2.gz WIYWKSPSMLAGEQ-HXUWFJFHSA-N 0 3 350.466 3.223 20 30 FGEDHN COc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)c(OC)c1 ZINC000026225072 494810806 /nfs/dbraw/zinc/81/08/06/494810806.db2.gz SIRWMTGVLODWHX-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN C#CCCOc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000093134246 494832495 /nfs/dbraw/zinc/83/24/95/494832495.db2.gz GJLLEXCXDRMNPN-GOSISDBHSA-N 0 3 350.466 3.006 20 30 FGEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000577570922 505755213 /nfs/dbraw/zinc/75/52/13/505755213.db2.gz APSQESZVMNYGLW-XOKHGSTOSA-N 0 3 365.399 3.478 20 30 FGEDHN CCN(CC)C(=O)C1(NCCC(=O)Nc2ccc(C#N)cc2)CCCCC1 ZINC000118847050 495047776 /nfs/dbraw/zinc/04/77/76/495047776.db2.gz QXSWJJBDTABOQH-UHFFFAOYSA-N 0 3 370.497 3.048 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1C ZINC000123770241 495183751 /nfs/dbraw/zinc/18/37/51/495183751.db2.gz FYMUOVKFRKDPEK-DOTOQJQBSA-N 0 3 367.449 3.285 20 30 FGEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000135037972 495242223 /nfs/dbraw/zinc/24/22/23/495242223.db2.gz UQRXYOIYPWCJFM-UHFFFAOYSA-N 0 3 351.450 3.291 20 30 FGEDHN CC[C@H](OC1CCCC1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000112821136 495244680 /nfs/dbraw/zinc/24/46/80/495244680.db2.gz OZVNDPQLSLZCQS-FQEVSTJZSA-N 0 3 357.498 3.186 20 30 FGEDHN CCOc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1C ZINC000113056461 495272320 /nfs/dbraw/zinc/27/23/20/495272320.db2.gz PLCKCJXYZRDUCT-UHFFFAOYSA-N 0 3 365.477 3.469 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1OC(F)F ZINC000129877034 495309144 /nfs/dbraw/zinc/30/91/44/495309144.db2.gz VGJPBKLAVHMNCJ-UHFFFAOYSA-N 0 3 373.403 3.364 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000125055084 495383625 /nfs/dbraw/zinc/38/36/25/495383625.db2.gz LDUDZFKYZAUSEW-IBGZPJMESA-N 0 3 370.541 3.218 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)CC1 ZINC000106034547 495406285 /nfs/dbraw/zinc/40/62/85/495406285.db2.gz LIHBCRJXFWRKQO-OAQYLSRUSA-N 0 3 371.525 3.047 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000106038773 495407179 /nfs/dbraw/zinc/40/71/79/495407179.db2.gz PAVMSXVPGPIMBC-NRFANRHFSA-N 0 3 367.493 3.107 20 30 FGEDHN CN(C)[C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115359156 495494905 /nfs/dbraw/zinc/49/49/05/495494905.db2.gz CTTQBHMZLMVWSH-FQEVSTJZSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000125797436 495500389 /nfs/dbraw/zinc/50/03/89/495500389.db2.gz KESZPXRTXNUEIP-BBRMVZONSA-N 0 3 362.376 3.250 20 30 FGEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000115433919 495503747 /nfs/dbraw/zinc/50/37/47/495503747.db2.gz JFGFGOZPDKIGPO-QGZVFWFLSA-N 0 3 367.449 3.144 20 30 FGEDHN C=CCOCCCC(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000173459335 495539003 /nfs/dbraw/zinc/53/90/03/495539003.db2.gz YWMMMBJQROMQMJ-SFHVURJKSA-N 0 3 358.482 3.074 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000170651053 495546974 /nfs/dbraw/zinc/54/69/74/495546974.db2.gz OLYXHURGTINBLE-FQEVSTJZSA-N 0 3 369.440 3.014 20 30 FGEDHN C=CCSCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000148957173 495588660 /nfs/dbraw/zinc/58/86/60/495588660.db2.gz LNIMUNRWRIKJHA-OAHLLOKOSA-N 0 3 353.557 3.179 20 30 FGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185594001 495636369 /nfs/dbraw/zinc/63/63/69/495636369.db2.gz JHUOPIMNIXBWDB-WBMJQRKESA-N 0 3 355.825 3.304 20 30 FGEDHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1COc2ccccc21 ZINC000185606575 495641709 /nfs/dbraw/zinc/64/17/09/495641709.db2.gz XJKHQTCYSPGWMQ-MLGOLLRUSA-N 0 3 355.825 3.304 20 30 FGEDHN N#Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c(F)c1 ZINC000170937493 495659961 /nfs/dbraw/zinc/65/99/61/495659961.db2.gz YNHLRPCOYQUHFS-SFHVURJKSA-N 0 3 369.415 3.365 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3Cl)CCOCC2)CC1 ZINC000170949090 495664094 /nfs/dbraw/zinc/66/40/94/495664094.db2.gz KNZVEDOMUKMEBT-UHFFFAOYSA-N 0 3 362.901 3.155 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000176499559 495674553 /nfs/dbraw/zinc/67/45/53/495674553.db2.gz UBFBQYWMNRJEOQ-OAHLLOKOSA-N 0 3 365.905 3.447 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574540862 505797198 /nfs/dbraw/zinc/79/71/98/505797198.db2.gz UARCEZKEEMKLBR-ZJMJOCHXSA-N 0 3 359.473 3.298 20 30 FGEDHN N#CC(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nnc2n1CCCCC2 ZINC000176541748 495691153 /nfs/dbraw/zinc/69/11/53/495691153.db2.gz AWFRTFYOSUZBIF-QGZVFWFLSA-N 0 3 373.416 3.054 20 30 FGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000185766458 495718783 /nfs/dbraw/zinc/71/87/83/495718783.db2.gz VCNNVKAQMXCFII-MSOLQXFVSA-N 0 3 361.511 3.033 20 30 FGEDHN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571730804 505800817 /nfs/dbraw/zinc/80/08/17/505800817.db2.gz TVUKGIYIRLICAZ-KKSFZXQISA-N 0 3 354.425 3.239 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000568891181 505801334 /nfs/dbraw/zinc/80/13/34/505801334.db2.gz QHXDEQKKJRNRFS-IRXDYDNUSA-N 0 3 351.498 3.441 20 30 FGEDHN CC1CCC(N2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)CC1 ZINC000174027109 495793712 /nfs/dbraw/zinc/79/37/12/495793712.db2.gz MSBRUMNJBZEVQW-UHFFFAOYSA-N 0 3 358.461 3.103 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000174092872 495817065 /nfs/dbraw/zinc/81/70/65/495817065.db2.gz QLBJXEQULDNSAV-UHFFFAOYSA-N 0 3 352.360 3.349 20 30 FGEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1C(F)(F)F ZINC000174096895 495820015 /nfs/dbraw/zinc/82/00/15/495820015.db2.gz TUVAMFXLGBKXGW-CQSZACIVSA-N 0 3 352.360 3.279 20 30 FGEDHN Cn1c2cc(NC3CCN(Cc4ccc(C#N)cc4)CC3)ccc2oc1=O ZINC000183090530 495830891 /nfs/dbraw/zinc/83/08/91/495830891.db2.gz HBHGUPHBBNVLEN-UHFFFAOYSA-N 0 3 362.433 3.080 20 30 FGEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC000176955210 495855386 /nfs/dbraw/zinc/85/53/86/495855386.db2.gz SVOZWCUSZWTRHK-LBPRGKRZSA-N 0 3 356.369 3.168 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000160069679 495877108 /nfs/dbraw/zinc/87/71/08/495877108.db2.gz SKYGZIBGUCUGFT-LJQANCHMSA-N 0 3 372.557 3.433 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)COCc2ccccc2)CC1 ZINC000171556654 495925972 /nfs/dbraw/zinc/92/59/72/495925972.db2.gz GZGHKDRFQRHLGP-SFHVURJKSA-N 0 3 359.514 3.179 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000171555844 495926252 /nfs/dbraw/zinc/92/62/52/495926252.db2.gz OUODKBPKUWVYIF-UHFFFAOYSA-N 0 3 356.514 3.127 20 30 FGEDHN Cc1sc(NC(=O)CN2CCC[C@H]2CN2CCCCC2)c(C#N)c1C ZINC000177110850 495930432 /nfs/dbraw/zinc/93/04/32/495930432.db2.gz JQEBFKXEFLRNQZ-INIZCTEOSA-N 0 3 360.527 3.125 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000171679899 495987599 /nfs/dbraw/zinc/98/75/99/495987599.db2.gz AUSLOILUIDXJLT-UHFFFAOYSA-N 0 3 357.376 3.035 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)CC1 ZINC000171704922 495997420 /nfs/dbraw/zinc/99/74/20/495997420.db2.gz RTTGRPKSONDYSN-IBGZPJMESA-N 0 3 373.497 3.019 20 30 FGEDHN C=CCN1CCC(NC(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000171726656 496010148 /nfs/dbraw/zinc/01/01/48/496010148.db2.gz WNRJUPVBAWXPCV-AATRIKPKSA-N 0 3 364.873 3.137 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC000171739007 496015250 /nfs/dbraw/zinc/01/52/50/496015250.db2.gz MONAPQCHJZDLIK-UHFFFAOYSA-N 0 3 359.489 3.440 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC2(c3ccccc3)CCCC2)c1 ZINC000183538958 496023475 /nfs/dbraw/zinc/02/34/75/496023475.db2.gz DFRNPAVIIXXBKP-UHFFFAOYSA-N 0 3 354.475 3.391 20 30 FGEDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCC#N)cc1 ZINC000171768406 496028482 /nfs/dbraw/zinc/02/84/82/496028482.db2.gz ZBYUWGJYGADOHI-MRXNPFEDSA-N 0 3 369.440 3.415 20 30 FGEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177391409 496043257 /nfs/dbraw/zinc/04/32/57/496043257.db2.gz WBQDFLNQRPRUTB-GJZGRUSLSA-N 0 3 357.479 3.220 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC2CCOCC2)c1 ZINC000155911792 496105425 /nfs/dbraw/zinc/10/54/25/496105425.db2.gz QVNFMGNAWBDVCS-SFHVURJKSA-N 0 3 357.498 3.297 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186692285 496110390 /nfs/dbraw/zinc/11/03/90/496110390.db2.gz NOJXHCYUGHMKRR-NZQKXSOJSA-N 0 3 365.473 3.286 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nc(SC)ncc1Cl)C(C)C ZINC000171980464 496116311 /nfs/dbraw/zinc/11/63/11/496116311.db2.gz IAWPSHYDQILANF-CQSZACIVSA-N 0 3 368.934 3.280 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@@H]1C ZINC000568992461 505825814 /nfs/dbraw/zinc/82/58/14/505825814.db2.gz LDOHJGNVBUPCOJ-GJZGRUSLSA-N 0 3 350.470 3.071 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000175013937 496209202 /nfs/dbraw/zinc/20/92/02/496209202.db2.gz RPRHMMWXDKBXAW-UHFFFAOYSA-N 0 3 368.275 3.230 20 30 FGEDHN COc1ccc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC000161655405 496215220 /nfs/dbraw/zinc/21/52/20/496215220.db2.gz MWEIEWILLHIPFN-AWEZNQCLSA-N 0 3 354.429 3.421 20 30 FGEDHN CC1(c2ccccc2)CC(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000571859086 505830878 /nfs/dbraw/zinc/83/08/78/505830878.db2.gz UECKVBFOTBNLKJ-WQMHRJNTSA-N 0 3 359.473 3.369 20 30 FGEDHN COc1cccc(NC2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000156608517 496291767 /nfs/dbraw/zinc/29/17/67/496291767.db2.gz ZRXFTAGHKWNYBZ-NRFANRHFSA-N 0 3 351.450 3.177 20 30 FGEDHN CCOC(=O)CC[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000162152701 496304912 /nfs/dbraw/zinc/30/49/12/496304912.db2.gz QRCZZDNKRMNIHV-INIZCTEOSA-N 0 3 360.454 3.001 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c(C#N)c1 ZINC000181253253 496330221 /nfs/dbraw/zinc/33/02/21/496330221.db2.gz NDPPDGNPOOEXKJ-UHFFFAOYSA-N 0 3 364.371 3.109 20 30 FGEDHN CCCN(CC)c1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000187225064 496348059 /nfs/dbraw/zinc/34/80/59/496348059.db2.gz TVFGSDWWBCPCSC-INIZCTEOSA-N 0 3 366.469 3.126 20 30 FGEDHN N#Cc1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c[nH]1 ZINC000181344603 496361075 /nfs/dbraw/zinc/36/10/75/496361075.db2.gz DACPPCPVZAYKBD-UHFFFAOYSA-N 0 3 356.857 3.278 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000178226579 496377445 /nfs/dbraw/zinc/37/74/45/496377445.db2.gz LTZACKOZTNAZSL-UHFFFAOYSA-N 0 3 359.861 3.298 20 30 FGEDHN Cc1ccc([C@@H](CN[C@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)o1 ZINC000181423683 496389242 /nfs/dbraw/zinc/38/92/42/496389242.db2.gz DJSPXXBWQVQRKV-YLJYHZDGSA-N 0 3 369.465 3.215 20 30 FGEDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000571906954 505843303 /nfs/dbraw/zinc/84/33/03/505843303.db2.gz OPEBZJHQESLMPA-XZOQPEGZSA-N 0 3 374.484 3.022 20 30 FGEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)c1ccccc1 ZINC000181526837 496432836 /nfs/dbraw/zinc/43/28/36/496432836.db2.gz ZSHCPYCYSJFFNM-DLBZAZTESA-N 0 3 373.460 3.464 20 30 FGEDHN COc1cccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c1OC ZINC000181536083 496435679 /nfs/dbraw/zinc/43/56/79/496435679.db2.gz JJMUMQJVOSLJBA-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181575286 496452138 /nfs/dbraw/zinc/45/21/38/496452138.db2.gz NKHVCFSRLZFOOZ-INIZCTEOSA-N 0 3 371.506 3.237 20 30 FGEDHN C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181582954 496456512 /nfs/dbraw/zinc/45/65/12/496456512.db2.gz MAKLHYAEFZTANC-GOSISDBHSA-N 0 3 365.477 3.120 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000181621624 496474194 /nfs/dbraw/zinc/47/41/94/496474194.db2.gz WHLSCENSLJSFTI-UHFFFAOYSA-N 0 3 351.288 3.067 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NCc1ccccc1OCCN(C)C ZINC000178572119 496503673 /nfs/dbraw/zinc/50/36/73/496503673.db2.gz INGRIPIWRUZXBI-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153651379 496533359 /nfs/dbraw/zinc/53/33/59/496533359.db2.gz QVBPVCNBEMQAFO-WOJBJXKFSA-N 0 3 355.507 3.389 20 30 FGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cc1 ZINC000157716818 496536436 /nfs/dbraw/zinc/53/64/36/496536436.db2.gz MRTLRYNBJMOTJL-ROUUACIJSA-N 0 3 365.477 3.170 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178825287 496585551 /nfs/dbraw/zinc/58/55/51/496585551.db2.gz PZKTZPKMSNUQHK-HXUWFJFHSA-N 0 3 361.489 3.379 20 30 FGEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc(N2CCCC2)c1 ZINC000181888112 496587353 /nfs/dbraw/zinc/58/73/53/496587353.db2.gz FUJZWENCVQJWSZ-KRWDZBQOSA-N 0 3 354.498 3.280 20 30 FGEDHN C[C@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000181899804 496591927 /nfs/dbraw/zinc/59/19/27/496591927.db2.gz DHFBYBCDLRFUFU-QFBILLFUSA-N 0 3 355.482 3.421 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184984825 496611778 /nfs/dbraw/zinc/61/17/78/496611778.db2.gz LYKCPXWJUGSQCZ-HUUCEWRRSA-N 0 3 352.400 3.364 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000158253408 496661140 /nfs/dbraw/zinc/66/11/40/496661140.db2.gz ZBLGIVXVXRYMQC-UHFFFAOYSA-N 0 3 371.529 3.058 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)CC1 ZINC000580876382 505858230 /nfs/dbraw/zinc/85/82/30/505858230.db2.gz IHHSXRLQOGUEKD-UHFFFAOYSA-N 0 3 368.481 3.009 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc3sccc3c2)cc1 ZINC000571993887 505865437 /nfs/dbraw/zinc/86/54/37/505865437.db2.gz NXDKRYYIWYJJGC-SFHVURJKSA-N 0 3 352.459 3.497 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cc(Br)ccc2F)CC1 ZINC000264397977 496891661 /nfs/dbraw/zinc/89/16/61/496891661.db2.gz LVSDJHSOPRPEBG-UHFFFAOYSA-N 0 3 370.266 3.038 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000569187169 505872181 /nfs/dbraw/zinc/87/21/81/505872181.db2.gz UPSHXYYATUNYAI-NEOGFGCTSA-N 0 3 357.498 3.187 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000247702200 496907952 /nfs/dbraw/zinc/90/79/52/496907952.db2.gz YCYRNMYVFWIGOC-RTBURBONSA-N 0 3 368.502 3.412 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264512437 496917304 /nfs/dbraw/zinc/91/73/04/496917304.db2.gz UESQWAOFGWQMHD-CQSZACIVSA-N 0 3 363.483 3.232 20 30 FGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264554037 496927882 /nfs/dbraw/zinc/92/78/82/496927882.db2.gz DFVYWCJEWWTOJX-PZJWPPBQSA-N 0 3 368.525 3.190 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000248741231 497095188 /nfs/dbraw/zinc/09/51/88/497095188.db2.gz AAZDXWVUSQQDJD-VNQPRFMTSA-N 0 3 365.399 3.478 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000278419258 497108023 /nfs/dbraw/zinc/10/80/23/497108023.db2.gz REIQCNRKUSVERM-RDJZCZTQSA-N 0 3 355.404 3.172 20 30 FGEDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)N(C)C)cc1OC ZINC000189407163 497108693 /nfs/dbraw/zinc/10/86/93/497108693.db2.gz XIPAMWHNWAWKJA-QGZVFWFLSA-N 0 3 370.409 3.198 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(CC#N)cc1 ZINC000270431409 497126971 /nfs/dbraw/zinc/12/69/71/497126971.db2.gz OHKOUWILJMJMMA-NRFANRHFSA-N 0 3 362.477 3.274 20 30 FGEDHN N#CC(CCN1CCc2n[nH]c(=O)cc2C1)(c1ccccc1)c1ccccc1 ZINC000278711606 497197270 /nfs/dbraw/zinc/19/72/70/497197270.db2.gz KFRUUYMXKHSPFF-UHFFFAOYSA-N 0 3 370.456 3.028 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2cccn2C)c(OC)c1 ZINC000249771102 497246607 /nfs/dbraw/zinc/24/66/07/497246607.db2.gz SRXRUVVZWLYICW-UYAOXDASSA-N 0 3 370.493 3.339 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000249837677 497251749 /nfs/dbraw/zinc/25/17/49/497251749.db2.gz UBSQDAOJPHYYNG-ROUUACIJSA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nccs2)C1 ZINC000249915996 497257117 /nfs/dbraw/zinc/25/71/17/497257117.db2.gz XIOMFUMOMCKCMA-MSOLQXFVSA-N 0 3 358.507 3.491 20 30 FGEDHN CC[C@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(C#N)cc1 ZINC000278907064 497262274 /nfs/dbraw/zinc/26/22/74/497262274.db2.gz ZWFQECQSOYTEKM-FPOVZHCZSA-N 0 3 360.461 3.438 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(NC(=O)NCC)c2C)CC1 ZINC000279031024 497309885 /nfs/dbraw/zinc/30/98/85/497309885.db2.gz QCQQDQCUTWYOIW-UHFFFAOYSA-N 0 3 373.501 3.298 20 30 FGEDHN CC(C)Cn1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000266342922 497310062 /nfs/dbraw/zinc/31/00/62/497310062.db2.gz BXMZTAFDBIGRIR-UHFFFAOYSA-N 0 3 368.485 3.006 20 30 FGEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCN1C ZINC000266384115 497322540 /nfs/dbraw/zinc/32/25/40/497322540.db2.gz DIZZCNAKJKYROH-UTKZUKDTSA-N 0 3 362.477 3.428 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000279261173 497385381 /nfs/dbraw/zinc/38/53/81/497385381.db2.gz MFVNMMQFSGXMIA-QGTPRVQTSA-N 0 3 359.857 3.087 20 30 FGEDHN CCOC[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279478090 497449332 /nfs/dbraw/zinc/44/93/32/497449332.db2.gz WLCHKKAOVSNNSM-KRWDZBQOSA-N 0 3 353.470 3.107 20 30 FGEDHN N#Cc1ccc(C[C@H](C#N)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000279816696 497551877 /nfs/dbraw/zinc/55/18/77/497551877.db2.gz XXLAETAZNGMRHK-OAQYLSRUSA-N 0 3 372.472 3.021 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000279875199 497573403 /nfs/dbraw/zinc/57/34/03/497573403.db2.gz CFQCYYONZJOXIP-APWZRJJASA-N 0 3 363.392 3.410 20 30 FGEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000581129052 505916361 /nfs/dbraw/zinc/91/63/61/505916361.db2.gz KFUSMTAJHJUVPU-DLBZAZTESA-N 0 3 367.497 3.344 20 30 FGEDHN C[C@H]1CN(CCCCNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000279958169 497602402 /nfs/dbraw/zinc/60/24/02/497602402.db2.gz PLTNDOGPRPCZJV-IRXDYDNUSA-N 0 3 357.498 3.107 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)CC1 ZINC000276674405 497625726 /nfs/dbraw/zinc/62/57/26/497625726.db2.gz VHPSUFZKDSZSFP-UHFFFAOYSA-N 0 3 366.465 3.068 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272460508 497635129 /nfs/dbraw/zinc/63/51/29/497635129.db2.gz QOZWQNFHMSZLKD-VYDXJSESSA-N 0 3 358.511 3.496 20 30 FGEDHN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C)cc1[O-] ZINC000280062268 497635169 /nfs/dbraw/zinc/63/51/69/497635169.db2.gz KMPWRJYTDRQUJI-UXHICEINSA-N 0 3 363.461 3.414 20 30 FGEDHN COCC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000280068080 497638803 /nfs/dbraw/zinc/63/88/03/497638803.db2.gz NBHPYDGYFPIJAA-ZWKOTPCHSA-N 0 3 351.406 3.036 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000191038767 497689740 /nfs/dbraw/zinc/68/97/40/497689740.db2.gz BKWMFSSXJNPSLO-UHFFFAOYSA-N 0 3 350.466 3.279 20 30 FGEDHN C=CCSCCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000194552549 497702708 /nfs/dbraw/zinc/70/27/08/497702708.db2.gz XAPHVKPHEVYNCC-UHFFFAOYSA-N 0 3 362.543 3.178 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000280422587 497749675 /nfs/dbraw/zinc/74/96/75/497749675.db2.gz PLXBSUAPULOZQG-YHYVQYDKSA-N 0 3 372.472 3.020 20 30 FGEDHN CCOc1cc(CNCCCC#N)ccc1OCC(=O)Nc1ccccc1 ZINC000273008977 497783340 /nfs/dbraw/zinc/78/33/40/497783340.db2.gz BRUVAJQOKZZUNZ-UHFFFAOYSA-N 0 3 367.449 3.496 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246822828 497814045 /nfs/dbraw/zinc/81/40/45/497814045.db2.gz NULNGEVMYGXEBY-KXBFYZLASA-N 0 3 372.900 3.099 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](CC3CC3)C2)cc1 ZINC000569429481 505932036 /nfs/dbraw/zinc/93/20/36/505932036.db2.gz CXZKFZXSDSJUGG-DZGCQCFKSA-N 0 3 361.467 3.026 20 30 FGEDHN N#Cc1cc(F)ccc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000578388825 505928486 /nfs/dbraw/zinc/92/84/86/505928486.db2.gz UNKCYWAXPNBARN-NRFANRHFSA-N 0 3 364.468 3.094 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCCC2(C)C)cc1 ZINC000334022572 497849786 /nfs/dbraw/zinc/84/97/86/497849786.db2.gz SVBFPXTUAVRHQR-XJKSGUPXSA-N 0 3 363.483 3.463 20 30 FGEDHN C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)N(C)C1CC1 ZINC000329679386 497865599 /nfs/dbraw/zinc/86/55/99/497865599.db2.gz QUUPXDHMKDVCAI-FZCLSBEQSA-N 0 3 357.502 3.053 20 30 FGEDHN N#Cc1cc(NC[C@H]2CCCN(Cc3cccs3)C2)cc(N)c1[N+](=O)[O-] ZINC000575205354 505941773 /nfs/dbraw/zinc/94/17/73/505941773.db2.gz TXSANRMRZYKSOR-CYBMUJFWSA-N 0 3 371.466 3.434 20 30 FGEDHN N#Cc1cc(NC[C@@H]2CCCN(Cc3cccs3)C2)cc(N)c1[N+](=O)[O-] ZINC000575205358 505941849 /nfs/dbraw/zinc/94/18/49/505941849.db2.gz TXSANRMRZYKSOR-ZDUSSCGKSA-N 0 3 371.466 3.434 20 30 FGEDHN COCc1cccc2sc(=NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)[nH]c21 ZINC000329842498 497923644 /nfs/dbraw/zinc/92/36/44/497923644.db2.gz OZDBHPRUDXXSLO-KGLIPLIRSA-N 0 3 360.483 3.157 20 30 FGEDHN CC1(C)CCCN(CCNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000329891306 497941459 /nfs/dbraw/zinc/94/14/59/497941459.db2.gz HQVDOZPVOVJRQJ-MRXNPFEDSA-N 0 3 367.559 3.157 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000288924615 497945140 /nfs/dbraw/zinc/94/51/40/497945140.db2.gz VCAHSPMBTZLSHS-DZGCQCFKSA-N 0 3 361.467 3.026 20 30 FGEDHN N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000280929906 497953838 /nfs/dbraw/zinc/95/38/38/497953838.db2.gz VWCLDXXKIPFCIU-YADHBBJMSA-N 0 3 372.472 3.194 20 30 FGEDHN O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000329935250 497960181 /nfs/dbraw/zinc/96/01/81/497960181.db2.gz CKRZOZQCKZHRAA-CVEARBPZSA-N 0 3 361.511 3.326 20 30 FGEDHN Cc1cc(Nc2cnn(CCN(C)C)c2)n2c3ccccc3nc2c1C#N ZINC000301126202 497964241 /nfs/dbraw/zinc/96/42/41/497964241.db2.gz TZOWBLVCFWKSEB-UHFFFAOYSA-N 0 3 359.437 3.169 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000581339246 505964331 /nfs/dbraw/zinc/96/43/31/505964331.db2.gz OLUSWIRHISGUCY-NBHGPNQESA-N 0 3 369.509 3.113 20 30 FGEDHN C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CCN(C2CCC2)C1 ZINC000292470706 498027092 /nfs/dbraw/zinc/02/70/92/498027092.db2.gz VBGZJCLNVZCEGV-HNNXBMFYSA-N 0 3 364.449 3.160 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 ZINC000292487557 498034045 /nfs/dbraw/zinc/03/40/45/498034045.db2.gz SRQAQRRLBXYLRM-YJYMSZOUSA-N 0 3 355.463 3.240 20 30 FGEDHN CC(C)(CNC(=O)N[C@@H]1CCCc2c[nH]nc21)N1CCc2ccccc2C1 ZINC000330154701 498042323 /nfs/dbraw/zinc/04/23/23/498042323.db2.gz NQVBAYMWYMRWHM-GOSISDBHSA-N 0 3 367.497 3.128 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC1CCOCC1 ZINC000281191024 498049500 /nfs/dbraw/zinc/04/95/00/498049500.db2.gz MMJWBZFSLRFSOF-UHFFFAOYSA-N 0 3 357.498 3.045 20 30 FGEDHN O=C(Nc1cc(-c2cccc(Cl)c2)on1)NC1CCN(C2CC2)CC1 ZINC000330181360 498051506 /nfs/dbraw/zinc/05/15/06/498051506.db2.gz GSFHAZBUXCLJIE-UHFFFAOYSA-N 0 3 360.845 3.370 20 30 FGEDHN C=C(C)CN1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301396524 498090939 /nfs/dbraw/zinc/09/09/39/498090939.db2.gz MWLLZNAJEUTMMQ-UHFFFAOYSA-N 0 3 351.410 3.467 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)NC[C@@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000330322909 498104704 /nfs/dbraw/zinc/10/47/04/498104704.db2.gz HENDWRYJOONZDC-WSTZPKSXSA-N 0 3 373.545 3.395 20 30 FGEDHN N#Cc1cc(NC2CCN(Cc3ccccc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000285578371 498135627 /nfs/dbraw/zinc/13/56/27/498135627.db2.gz KKIUFUNIDBGFNQ-UHFFFAOYSA-N 0 3 351.410 3.125 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000292757923 498136263 /nfs/dbraw/zinc/13/62/63/498136263.db2.gz BRGHWIWCPIJNQA-QGZVFWFLSA-N 0 3 360.473 3.096 20 30 FGEDHN C=CCc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc(OC)c1OC ZINC000285586369 498138993 /nfs/dbraw/zinc/13/89/93/498138993.db2.gz BCVDAYVUONUBGD-CRAIPNDOSA-N 0 3 358.482 3.131 20 30 FGEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281437206 498151270 /nfs/dbraw/zinc/15/12/70/498151270.db2.gz DZZZVNORIWZCLF-WNYOCNMUSA-N 0 3 365.408 3.008 20 30 FGEDHN Cc1cc(N2CCC[C@@H](NCc3ccc(F)c(C#N)c3Cl)C2)n(C)n1 ZINC000364808228 498154054 /nfs/dbraw/zinc/15/40/54/498154054.db2.gz YFMRZIFXBRWPNY-CQSZACIVSA-N 0 3 361.852 3.151 20 30 FGEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC000289457589 498154591 /nfs/dbraw/zinc/15/45/91/498154591.db2.gz GESSTDMLDWDXEZ-ZWKOTPCHSA-N 0 3 371.481 3.278 20 30 FGEDHN COc1ccc(SC)c(OC)c1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000330651517 498166241 /nfs/dbraw/zinc/16/62/41/498166241.db2.gz IIDRWGBOSWCUSC-QWHCGFSZSA-N 0 3 352.500 3.459 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000281492414 498170065 /nfs/dbraw/zinc/17/00/65/498170065.db2.gz HTEYVNNXNZCPCX-FPOVZHCZSA-N 0 3 358.445 3.344 20 30 FGEDHN C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CCN(C2CC2)C1 ZINC000296730022 498171792 /nfs/dbraw/zinc/17/17/92/498171792.db2.gz NXNUBELTXDSSSS-QGZVFWFLSA-N 0 3 364.493 3.154 20 30 FGEDHN C#CCCOc1ccc(CNCc2cccc(N3CCOCC3)c2)cc1 ZINC000292860151 498174325 /nfs/dbraw/zinc/17/43/25/498174325.db2.gz CKEWWYGCNZAJGP-UHFFFAOYSA-N 0 3 350.462 3.215 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285697246 498175128 /nfs/dbraw/zinc/17/51/28/498175128.db2.gz VRLXAYVTZYCOSY-CPUCHLNUSA-N 0 3 360.889 3.097 20 30 FGEDHN N#Cc1cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)ccc1F ZINC000285712161 498178818 /nfs/dbraw/zinc/17/88/18/498178818.db2.gz PPEWJNNPPKYTKZ-UHFFFAOYSA-N 0 3 367.424 3.154 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCCCC(F)(F)C2)c1 ZINC000575742394 505995151 /nfs/dbraw/zinc/99/51/51/505995151.db2.gz FVHYQZILLXQSEH-HNNXBMFYSA-N 0 3 356.438 3.137 20 30 FGEDHN N#Cc1ccnc(NCC2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000301653779 498208785 /nfs/dbraw/zinc/20/87/85/498208785.db2.gz RGXDYIKIPURKIE-UHFFFAOYSA-N 0 3 357.439 3.247 20 30 FGEDHN Cc1nc(CC(C)C)c(NC(=O)NC[C@]2(N(C)C)CCSC2)s1 ZINC000331031548 498240024 /nfs/dbraw/zinc/24/00/24/498240024.db2.gz ZXKFJPVJYSSJGB-MRXNPFEDSA-N 0 3 356.561 3.413 20 30 FGEDHN CC(C)(C)CCN1CCN(C(=O)Nc2ccc(C(N)=O)cc2F)CC1 ZINC000331065356 498245782 /nfs/dbraw/zinc/24/57/82/498245782.db2.gz POHRJVKWJSFZIM-UHFFFAOYSA-N 0 3 350.438 3.308 20 30 FGEDHN Cc1ccc(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)c(OCCN(C)C)c1 ZINC000331309758 498298238 /nfs/dbraw/zinc/29/82/38/498298238.db2.gz GGECDLPXZOQBKC-GOSISDBHSA-N 0 3 363.502 3.228 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccccc2F)c(OC)c1 ZINC000572631904 506016124 /nfs/dbraw/zinc/01/61/24/506016124.db2.gz LXIHAGKSGJTHIT-XKGZKEIXSA-N 0 3 371.452 3.448 20 30 FGEDHN CN1CCN([C@H](CN[C@@H]2CCc3ccc(C#N)cc32)c2cccs2)CC1 ZINC000572652611 506020940 /nfs/dbraw/zinc/02/09/40/506020940.db2.gz HPSDEWSLJVDMMV-WOJBJXKFSA-N 0 3 366.534 3.185 20 30 FGEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572650655 506021169 /nfs/dbraw/zinc/02/11/69/506021169.db2.gz PZFWSFULDODXRQ-HKUYNNGSSA-N 0 3 365.880 3.015 20 30 FGEDHN Cn1cc(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N ZINC000365234439 498364819 /nfs/dbraw/zinc/36/48/19/498364819.db2.gz NQGDRQWHZOCCPK-UHFFFAOYSA-N 0 3 358.486 3.261 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCCC23CCOCC3)c1 ZINC000282051338 498371182 /nfs/dbraw/zinc/37/11/82/498371182.db2.gz MDNLVBRXHYHYNB-HXUWFJFHSA-N 0 3 369.509 3.489 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCN(C2CCCC2)CC1 ZINC000572721279 506036020 /nfs/dbraw/zinc/03/60/20/506036020.db2.gz ZOVUEWUPHHNNFW-UHFFFAOYSA-N 0 3 372.542 3.351 20 30 FGEDHN CC(=O)c1ccc2c(c1)CCN(CCC(=O)Nc1ccccc1C#N)CC2 ZINC000362130446 498467552 /nfs/dbraw/zinc/46/75/52/498467552.db2.gz MXNUZTVANKMCSE-UHFFFAOYSA-N 0 3 361.445 3.190 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000365489878 498494758 /nfs/dbraw/zinc/49/47/58/498494758.db2.gz GHWHJNCHQVJHGN-QUCCMNQESA-N 0 3 365.481 3.397 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)N(C)C[C@@H]3C)sc2C1 ZINC000331920103 498500986 /nfs/dbraw/zinc/50/09/86/498500986.db2.gz IMEBKEAUMOOLJD-ILXRZTDVSA-N 0 3 374.554 3.098 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000362389173 498508804 /nfs/dbraw/zinc/50/88/04/498508804.db2.gz LLMHRFFMOFGBPH-UHFFFAOYSA-N 0 3 363.461 3.253 20 30 FGEDHN COc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1C#N ZINC000282438339 498512300 /nfs/dbraw/zinc/51/23/00/498512300.db2.gz FUEJTVSYPQQSDM-GOSISDBHSA-N 0 3 350.466 3.479 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cscc1C#N ZINC000578898847 506046967 /nfs/dbraw/zinc/04/69/67/506046967.db2.gz HITXSYXGRDJCSD-UHFFFAOYSA-N 0 3 354.479 3.393 20 30 FGEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331998805 498528782 /nfs/dbraw/zinc/52/87/82/498528782.db2.gz VSXUIVPWFXJBPK-HUUCEWRRSA-N 0 3 374.554 3.242 20 30 FGEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000286951155 498565714 /nfs/dbraw/zinc/56/57/14/498565714.db2.gz JJTFBTRDBJGTGP-JSGCOSHPSA-N 0 3 364.396 3.250 20 30 FGEDHN Cc1csc([C@@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)n1 ZINC000332147070 498579687 /nfs/dbraw/zinc/57/96/87/498579687.db2.gz HUTYEJUEZRHNKA-QZTJIDSGSA-N 0 3 364.474 3.412 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000569973661 506059764 /nfs/dbraw/zinc/05/97/64/506059764.db2.gz LGASGIUXENCTNS-AUUYWEPGSA-N 0 3 352.413 3.482 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000332237771 498613625 /nfs/dbraw/zinc/61/36/25/498613625.db2.gz SHFYJEVXSPTFNO-XQBPLPMBSA-N 0 3 370.541 3.026 20 30 FGEDHN CC(C)N1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000332287047 498634161 /nfs/dbraw/zinc/63/41/61/498634161.db2.gz JASAVRFQAYHIFN-UHFFFAOYSA-N 0 3 365.275 3.269 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H](c3ccccc3)C2)nc1 ZINC000578996216 506070053 /nfs/dbraw/zinc/07/00/53/506070053.db2.gz IMNXWGQXTZHRRC-MOPGFXCFSA-N 0 3 369.490 3.043 20 30 FGEDHN Cc1cc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)nn1CCC#N ZINC000283046129 498758405 /nfs/dbraw/zinc/75/84/05/498758405.db2.gz HECIJMFQMFGFAF-INIZCTEOSA-N 0 3 374.876 3.183 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(C)C ZINC000298417664 498764146 /nfs/dbraw/zinc/76/41/46/498764146.db2.gz KWHFZRIIKZXEFA-AWEZNQCLSA-N 0 3 371.403 3.234 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000324341767 498826905 /nfs/dbraw/zinc/82/69/05/498826905.db2.gz YCMFMWXUTOJEHI-INIZCTEOSA-N 0 3 350.422 3.425 20 30 FGEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291172901 498828693 /nfs/dbraw/zinc/82/86/93/498828693.db2.gz HFMPOPPIKKDBPA-INIZCTEOSA-N 0 3 351.425 3.448 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(F)(c2ccccn2)CC1 ZINC000298622550 498830977 /nfs/dbraw/zinc/83/09/77/498830977.db2.gz VAYAWHMIFQBRAY-UHFFFAOYSA-N 0 3 352.413 3.243 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000332994574 498861136 /nfs/dbraw/zinc/86/11/36/498861136.db2.gz BWUFCBRPCIVBAJ-UHFFFAOYSA-N 0 3 350.466 3.349 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccccc1C(F)(F)F ZINC000327661164 498861389 /nfs/dbraw/zinc/86/13/89/498861389.db2.gz YMKDYJDMXOBZSM-OAHLLOKOSA-N 0 3 350.340 3.107 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N3CCC4(CCC(O)CC4)CC3)C2=O)cc1 ZINC000570159375 506104239 /nfs/dbraw/zinc/10/42/39/506104239.db2.gz ANEJNXYLCYXRLP-FQEVSTJZSA-N 0 3 367.493 3.071 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000287888164 498892394 /nfs/dbraw/zinc/89/23/94/498892394.db2.gz YFXKGDVDUIJYLP-OAHLLOKOSA-N 0 3 361.486 3.023 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN[C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000363644701 498922148 /nfs/dbraw/zinc/92/21/48/498922148.db2.gz IFQRAAMZZLEGAY-QFIPXVFZSA-N 0 3 362.477 3.481 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291415736 498932070 /nfs/dbraw/zinc/93/20/70/498932070.db2.gz CRZXWGYYTZXOHA-RDJZCZTQSA-N 0 3 365.389 3.007 20 30 FGEDHN O=C(NCCN1C(=O)Cc2ccccc21)[C@H]1CCCCN1C1CCCC1 ZINC000328784401 498938120 /nfs/dbraw/zinc/93/81/20/498938120.db2.gz NWBUEQJRHDKPRF-LJQANCHMSA-N 0 3 355.482 3.329 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328830207 498952677 /nfs/dbraw/zinc/95/26/77/498952677.db2.gz RARPMEGXCMXTFM-YZGWKJHDSA-N 0 3 371.525 3.360 20 30 FGEDHN C[C@H](CCOCc1ccccc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000288203619 498967219 /nfs/dbraw/zinc/96/72/19/498967219.db2.gz CSWFAPCFWGFLBC-DYESRHJHSA-N 0 3 361.445 3.352 20 30 FGEDHN C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000288211671 498968161 /nfs/dbraw/zinc/96/81/61/498968161.db2.gz RMHIYFAVOKKXJB-JXFKEZNVSA-N 0 3 350.466 3.391 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000299256790 499007873 /nfs/dbraw/zinc/00/78/73/499007873.db2.gz RRUMWNNFTNXXLR-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN CN(CCNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000329002405 499012263 /nfs/dbraw/zinc/01/22/63/499012263.db2.gz LOYMAFYCUBHVTD-QGZVFWFLSA-N 0 3 364.511 3.169 20 30 FGEDHN Cc1nc(-c2ccc(C)c(NC(=O)N3CCCC34CCN(C)CC4)c2)n[nH]1 ZINC000329072678 499033312 /nfs/dbraw/zinc/03/33/12/499033312.db2.gz OHPPHGPUXXECCA-UHFFFAOYSA-N 0 3 368.485 3.194 20 30 FGEDHN CCOc1ccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2ccccc2)cc1 ZINC000284033795 499034972 /nfs/dbraw/zinc/03/49/72/499034972.db2.gz IQDOFJALTCUSQB-UHFFFAOYSA-O 0 3 355.483 3.454 20 30 FGEDHN N#CCOc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000291710429 499043798 /nfs/dbraw/zinc/04/37/98/499043798.db2.gz INUQRVYXSGYHDT-JOCHJYFZSA-N 0 3 350.462 3.406 20 30 FGEDHN COCCn1ncc2c1[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000363908007 499048948 /nfs/dbraw/zinc/04/89/48/499048948.db2.gz KILWXTMEIHYICG-KXBFYZLASA-N 0 3 354.454 3.160 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000329168200 499061188 /nfs/dbraw/zinc/06/11/88/499061188.db2.gz IQJORXLOZOUKTK-BYCMXARLSA-N 0 3 370.280 3.443 20 30 FGEDHN CC(=O)NCc1ccc([C@H]2CCCN2CCCOc2ccc(C#N)cc2)o1 ZINC000364053041 499101581 /nfs/dbraw/zinc/10/15/81/499101581.db2.gz BRENBMXQDOVMTO-HXUWFJFHSA-N 0 3 367.449 3.393 20 30 FGEDHN Cc1ccc(NC(=O)NC(=O)CN2CC[C@H](N3CCCCC3)C2)c(C)c1 ZINC000329335477 499102509 /nfs/dbraw/zinc/10/25/09/499102509.db2.gz XSHSHJCULHPXFG-KRWDZBQOSA-N 0 3 358.486 3.366 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)[C@@H]2C1 ZINC000329464320 499125264 /nfs/dbraw/zinc/12/52/64/499125264.db2.gz UVYJECBBAPLYKL-MAUKXSAKSA-N 0 3 352.438 3.445 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC2CCN(Cc3cccs3)CC2)c(F)c1 ZINC000370334600 499210908 /nfs/dbraw/zinc/21/09/08/499210908.db2.gz XUIYJWVBDULRQY-UHFFFAOYSA-N 0 3 361.417 3.292 20 30 FGEDHN C=C(C)COc1cc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1OC ZINC000367546902 499211161 /nfs/dbraw/zinc/21/11/61/499211161.db2.gz ODIRYKIJYHEIHH-ZWKOTPCHSA-N 0 3 358.482 3.141 20 30 FGEDHN C[C@@H](NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(OCC#N)cc1 ZINC000367591940 499215594 /nfs/dbraw/zinc/21/55/94/499215594.db2.gz AKDFVNXTPXZKSN-XWIAVFTESA-N 0 3 368.437 3.420 20 30 FGEDHN N#Cc1c(F)ccc(CNC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1Cl ZINC000370447912 499221630 /nfs/dbraw/zinc/22/16/30/499221630.db2.gz RNHMKGRGQAUQQL-OAHLLOKOSA-N 0 3 371.843 3.489 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(CC2)OCc2ccccc23)CC1 ZINC000370531232 499229101 /nfs/dbraw/zinc/22/91/01/499229101.db2.gz LTTBOGMLFPFOJZ-UHFFFAOYSA-N 0 3 369.509 3.258 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)CC1 ZINC000367878674 499240821 /nfs/dbraw/zinc/24/08/21/499240821.db2.gz OWYNBSNHGFKGDV-UHFFFAOYSA-N 0 3 357.454 3.202 20 30 FGEDHN N#CCCn1cc(CN2CCOCC3(CCC3)C2)c(-c2ccccc2)n1 ZINC000368097148 499263505 /nfs/dbraw/zinc/26/35/05/499263505.db2.gz ITCLFSUOWLDODW-UHFFFAOYSA-N 0 3 350.466 3.466 20 30 FGEDHN CC(C)c1nnc([C@H]2CC23CCN(C[C@H](O)c2ccc(C#N)cc2)CC3)o1 ZINC000371159961 499294593 /nfs/dbraw/zinc/29/45/93/499294593.db2.gz IFJULMGFRVSXEX-MSOLQXFVSA-N 0 3 366.465 3.368 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368803887 499334525 /nfs/dbraw/zinc/33/45/25/499334525.db2.gz FEFGDNHHCUXSLN-UHFFFAOYSA-N 0 3 368.506 3.426 20 30 FGEDHN COCCn1ncc2c1[C@H](NCc1cccc(OCCCC#N)c1)CCC2 ZINC000368833062 499337280 /nfs/dbraw/zinc/33/72/80/499337280.db2.gz GQSUDYTZTSZRQH-HXUWFJFHSA-N 0 3 368.481 3.379 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000369077792 499363279 /nfs/dbraw/zinc/36/32/79/499363279.db2.gz WTTWSHJJBYMGGV-SFHVURJKSA-N 0 3 367.497 3.477 20 30 FGEDHN C[C@H](NC1(CNCc2nc(C#N)cs2)CCOCC1)c1ccccc1 ZINC000576381933 506144333 /nfs/dbraw/zinc/14/43/33/506144333.db2.gz LSBCWURXOAQNDM-HNNXBMFYSA-N 0 3 356.495 3.004 20 30 FGEDHN CCN([C@@H]1CCOC(C)(C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582150724 506144743 /nfs/dbraw/zinc/14/47/43/506144743.db2.gz OXVLJTOFQOALMK-RTBURBONSA-N 0 3 355.482 3.333 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nc(-c3ccc(F)cc3)c[nH]2)cc1 ZINC000369292046 499388284 /nfs/dbraw/zinc/38/82/84/499388284.db2.gz CIEMAYMMJSUSGV-KRWDZBQOSA-N 0 3 373.391 3.086 20 30 FGEDHN Cc1cc(C)c2c(c1)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCO2 ZINC000369300170 499389187 /nfs/dbraw/zinc/38/91/87/499389187.db2.gz YWCQCLWWWKGHIT-QUCCMNQESA-N 0 3 359.429 3.497 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000372054441 499393737 /nfs/dbraw/zinc/39/37/37/499393737.db2.gz YMYNRJQFERIIPV-DYESRHJHSA-N 0 3 372.476 3.461 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000372054442 499393931 /nfs/dbraw/zinc/39/39/31/499393931.db2.gz YMYNRJQFERIIPV-LAUBAEHRSA-N 0 3 372.476 3.461 20 30 FGEDHN COC[C@H]1CCCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000372093199 499398566 /nfs/dbraw/zinc/39/85/66/499398566.db2.gz BZQKTFXWRRDBPP-MSOLQXFVSA-N 0 3 373.497 3.079 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369531431 499413541 /nfs/dbraw/zinc/41/35/41/499413541.db2.gz NBFPOASAVSZFDY-MJGOQNOKSA-N 0 3 368.506 3.454 20 30 FGEDHN Cc1cccc(NC2CCN(CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000369582358 499422463 /nfs/dbraw/zinc/42/24/63/499422463.db2.gz BBDGYRVDXRRQRM-UHFFFAOYSA-N 0 3 369.494 3.228 20 30 FGEDHN CC(C)(C#N)CCCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000373069894 499449765 /nfs/dbraw/zinc/44/97/65/499449765.db2.gz LRGBIQADHYZIOB-UHFFFAOYSA-N 0 3 363.527 3.149 20 30 FGEDHN CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000373075060 499450037 /nfs/dbraw/zinc/45/00/37/499450037.db2.gz SCKQIJKJGABEMK-OAHLLOKOSA-N 0 3 360.506 3.451 20 30 FGEDHN CC(C)CCOc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373486708 499472760 /nfs/dbraw/zinc/47/27/60/499472760.db2.gz SVEZRWCSTILPCY-UHFFFAOYSA-N 0 3 353.470 3.412 20 30 FGEDHN Cc1nc(C)n(C[C@@H]2CCCN2Cc2cccn2Cc2ccccc2C#N)n1 ZINC000375358890 499510495 /nfs/dbraw/zinc/51/04/95/499510495.db2.gz YOBJRUYPNJVTBP-QFIPXVFZSA-N 0 3 374.492 3.281 20 30 FGEDHN Cc1nnc(C2CCN(Cc3ccc(C#N)cc3Br)CC2)[nH]1 ZINC000378493888 499523773 /nfs/dbraw/zinc/52/37/73/499523773.db2.gz VOJRRFLMUBSXNX-UHFFFAOYSA-N 0 3 360.259 3.127 20 30 FGEDHN C[C@@H]1CCN(C(=O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000383121231 499546431 /nfs/dbraw/zinc/54/64/31/499546431.db2.gz YPBMMMCXHIJHSV-GOSISDBHSA-N 0 3 363.461 3.060 20 30 FGEDHN CC(C)(C#N)CCCCN1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375783246 499555382 /nfs/dbraw/zinc/55/53/82/499555382.db2.gz QUVCOFXKSBELRR-IRXDYDNUSA-N 0 3 351.491 3.076 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)COc1ccc(C#N)cc1 ZINC000398194363 499567163 /nfs/dbraw/zinc/56/71/63/499567163.db2.gz YMSVBPMBTCYHOW-NRFANRHFSA-N 0 3 365.477 3.210 20 30 FGEDHN Cc1nc(CN2CCC[C@H](N[C@@H](C)c3ccc(C#N)cc3Cl)C2)no1 ZINC000376045139 499578398 /nfs/dbraw/zinc/57/83/98/499578398.db2.gz DKWLTKCZISJGAE-WFASDCNBSA-N 0 3 359.861 3.218 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3ccccc3CO)CC2)cc1 ZINC000376269582 499595883 /nfs/dbraw/zinc/59/58/83/499595883.db2.gz ZYOKZGNINQREFL-NRFANRHFSA-N 0 3 373.456 3.139 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C3CCCC3)C2)cc1 ZINC000376584819 499620533 /nfs/dbraw/zinc/62/05/33/499620533.db2.gz RKFGSMQLCBPWRO-ZDUSSCGKSA-N 0 3 361.467 3.026 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000409854182 499625422 /nfs/dbraw/zinc/62/54/22/499625422.db2.gz GDJODTQBJMQIGZ-ICSRJNTNSA-N 0 3 365.864 3.464 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000409854184 499625424 /nfs/dbraw/zinc/62/54/24/499625424.db2.gz GDJODTQBJMQIGZ-QUCCMNQESA-N 0 3 365.864 3.464 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(C2CC2)CCOCC1 ZINC000376717096 499631416 /nfs/dbraw/zinc/63/14/16/499631416.db2.gz PTWKPTLAEOZASQ-HNNXBMFYSA-N 0 3 373.522 3.426 20 30 FGEDHN C#CCC(CC#C)C(=O)Nc1ncccc1CN1CCc2ccccc2CC1 ZINC000376919562 499646602 /nfs/dbraw/zinc/64/66/02/499646602.db2.gz YWMDYCAAFWLOGE-UHFFFAOYSA-N 0 3 371.484 3.284 20 30 FGEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000411640961 499772104 /nfs/dbraw/zinc/77/21/04/499772104.db2.gz LERVIKVDBGOFAJ-AWEZNQCLSA-N 0 3 353.894 3.115 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccncc1F ZINC000412983962 499902454 /nfs/dbraw/zinc/90/24/54/499902454.db2.gz BHDUTROYLOAHAE-UHFFFAOYSA-N 0 3 361.490 3.319 20 30 FGEDHN COc1cccc([C@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)N(C)C)c1 ZINC000413024619 499904652 /nfs/dbraw/zinc/90/46/52/499904652.db2.gz DMUZCUXHKQKPOZ-IBGZPJMESA-N 0 3 354.410 3.498 20 30 FGEDHN C=C(C)C(C)(C)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000424878435 499961502 /nfs/dbraw/zinc/96/15/02/499961502.db2.gz SZKJGTCQAMGHKP-UHFFFAOYSA-N 0 3 357.498 3.328 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416244340 499993614 /nfs/dbraw/zinc/99/36/14/499993614.db2.gz QMUKEQFOGFMZJC-HXUWFJFHSA-N 0 3 356.466 3.370 20 30 FGEDHN C=CCCOCCCCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425017024 499995186 /nfs/dbraw/zinc/99/51/86/499995186.db2.gz XVVILHUMQHIDML-LEWJYISDSA-N 0 3 356.510 3.482 20 30 FGEDHN CN(C)C1(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000416297432 500008509 /nfs/dbraw/zinc/00/85/09/500008509.db2.gz ADXZFLNURALLLO-UHFFFAOYSA-N 0 3 353.397 3.314 20 30 FGEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000421364448 500027381 /nfs/dbraw/zinc/02/73/81/500027381.db2.gz OJGCSJGRPJOIPO-YADHBBJMSA-N 0 3 367.468 3.467 20 30 FGEDHN C[C@H]1CN(c2cccc(F)c2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000429260306 500036254 /nfs/dbraw/zinc/03/62/54/500036254.db2.gz BCHXADSOYZHRCM-INIZCTEOSA-N 0 3 366.440 3.237 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](CSC)C2)c(OC)c1 ZINC000429290808 500044251 /nfs/dbraw/zinc/04/42/51/500044251.db2.gz DZYPVYXKJVSFLX-ZWKOTPCHSA-N 0 3 365.539 3.238 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3cccc(N)c3)CC2)CC1 ZINC000417544565 500102813 /nfs/dbraw/zinc/10/28/13/500102813.db2.gz WCVUSPFPXIDMFT-UHFFFAOYSA-N 0 3 356.514 3.198 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425485583 500120205 /nfs/dbraw/zinc/12/02/05/500120205.db2.gz UJALNRVXIFAXDH-IBGZPJMESA-N 0 3 361.530 3.018 20 30 FGEDHN CC#CCCN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425505795 500126801 /nfs/dbraw/zinc/12/68/01/500126801.db2.gz CKAOXVUXEOBTJU-JKSUJKDBSA-N 0 3 350.256 3.051 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1Cl ZINC000429708559 500128890 /nfs/dbraw/zinc/12/88/90/500128890.db2.gz MZKUJCNNFBKXDB-QGTPRVQTSA-N 0 3 359.857 3.087 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000425860572 500205972 /nfs/dbraw/zinc/20/59/72/500205972.db2.gz UEIIMXNNMHMTJO-VMXMFDLUSA-N 0 3 371.525 3.445 20 30 FGEDHN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000430407739 500236706 /nfs/dbraw/zinc/23/67/06/500236706.db2.gz XQFCDNQPGAACLH-HSQYWUDLSA-N 0 3 361.489 3.498 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCC1(CC#N)CC1 ZINC000430677245 500268805 /nfs/dbraw/zinc/26/88/05/500268805.db2.gz FXFVQLNGVWTZPL-IBGZPJMESA-N 0 3 368.525 3.452 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418549583 500290414 /nfs/dbraw/zinc/29/04/14/500290414.db2.gz FFJLJCBBAVGTPG-UHFFFAOYSA-N 0 3 367.497 3.355 20 30 FGEDHN C=CC[C@@H](C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1)c1ccccc1 ZINC000427149546 500360027 /nfs/dbraw/zinc/36/00/27/500360027.db2.gz HSNRHULSNHNADO-PZJWPPBQSA-N 0 3 368.477 3.286 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C#N)CCC1 ZINC000419506418 500372900 /nfs/dbraw/zinc/37/29/00/500372900.db2.gz NJTTYEWSYRZKCB-GOSISDBHSA-N 0 3 354.498 3.280 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000419923796 500407355 /nfs/dbraw/zinc/40/73/55/500407355.db2.gz BLGYPMMADRGMMC-BQFCYCMXSA-N 0 3 355.482 3.030 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C[C@H](c2ccccc2)N2CCC(C)CC2)C1=O ZINC000419950962 500409441 /nfs/dbraw/zinc/40/94/41/500409441.db2.gz MYCQEYFXGIGMFS-RBUKOAKNSA-N 0 3 355.482 3.346 20 30 FGEDHN C=CC[C@@H](C(=O)N1CC[C@@H](OCCN2CCCCC2)C1)c1ccccc1 ZINC000427772212 500430487 /nfs/dbraw/zinc/43/04/87/500430487.db2.gz DDFSCGHPHQQJKR-NHCUHLMSSA-N 0 3 356.510 3.450 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000424095559 500452339 /nfs/dbraw/zinc/45/23/39/500452339.db2.gz XGCVAUAAVZCDHD-ZWKOTPCHSA-N 0 3 355.413 3.083 20 30 FGEDHN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424115305 500456560 /nfs/dbraw/zinc/45/65/60/500456560.db2.gz ABFOWSOXNTVEON-HSALFYBXSA-N 0 3 373.497 3.303 20 30 FGEDHN N#Cc1cnc(C(=O)NCC2CCN(Cc3cccs3)CC2)c(Cl)c1 ZINC000428023608 500459283 /nfs/dbraw/zinc/45/92/83/500459283.db2.gz LVVUYLILKCSTTQ-UHFFFAOYSA-N 0 3 374.897 3.310 20 30 FGEDHN COc1ccccc1Oc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424148446 500460268 /nfs/dbraw/zinc/46/02/68/500460268.db2.gz ZZLBWGJTEUEOSD-QGZVFWFLSA-N 0 3 353.422 3.125 20 30 FGEDHN Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H](N)CCCC#N)C3)cs1 ZINC000424166802 500462677 /nfs/dbraw/zinc/46/26/77/500462677.db2.gz BJAFCDCMOGPDGF-CYBMUJFWSA-N 0 3 360.508 3.086 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2ccccc2C1 ZINC000570573746 506198506 /nfs/dbraw/zinc/19/85/06/506198506.db2.gz RXYLVIQSWIPYBQ-QFIPXVFZSA-N 0 3 361.489 3.254 20 30 FGEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCC(=O)Nc1ccccc1C#N ZINC000420929169 500533732 /nfs/dbraw/zinc/53/37/32/500533732.db2.gz PZGRCOMASVGQBC-WBVHZDCISA-N 0 3 371.481 3.329 20 30 FGEDHN Cc1c(Cl)cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1C#N ZINC000428669525 500540820 /nfs/dbraw/zinc/54/08/20/500540820.db2.gz ARLFYIYALDSGSE-KRWDZBQOSA-N 0 3 370.884 3.040 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@@H]1CCCN1C ZINC000421016506 500554981 /nfs/dbraw/zinc/55/49/81/500554981.db2.gz YFAOCCFCWBBGSG-CVEARBPZSA-N 0 3 360.527 3.045 20 30 FGEDHN C[C@@H]1CN(CCCNc2ccc(C#N)cc2Br)CCCO1 ZINC000432866469 500580532 /nfs/dbraw/zinc/58/05/32/500580532.db2.gz OYNPXUGYRKPFQR-CYBMUJFWSA-N 0 3 352.276 3.234 20 30 FGEDHN C[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000442790748 500626296 /nfs/dbraw/zinc/62/62/96/500626296.db2.gz HMQNBTCOONPAFW-PXAZEXFGSA-N 0 3 361.367 3.497 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000433320655 500671904 /nfs/dbraw/zinc/67/19/04/500671904.db2.gz VGXLVMXCVMOYQK-GOSISDBHSA-N 0 3 362.408 3.400 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000437638601 500673727 /nfs/dbraw/zinc/67/37/27/500673727.db2.gz YOXFYLHTJVKJHR-RXVVDRJESA-N 0 3 371.525 3.240 20 30 FGEDHN COc1cc(CN2CCC(CO)(Cc3ccccc3)CC2)ccc1C#N ZINC000443071107 500674074 /nfs/dbraw/zinc/67/40/74/500674074.db2.gz ZZEWEJAJPVZKBC-UHFFFAOYSA-N 0 3 350.462 3.384 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000437656192 500677068 /nfs/dbraw/zinc/67/70/68/500677068.db2.gz HXNAAEBMZKBGGE-ZCNNSNEGSA-N 0 3 357.498 3.104 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000437657165 500677319 /nfs/dbraw/zinc/67/73/19/500677319.db2.gz UBNNQIMHDQKRFC-TYPHKJRUSA-N 0 3 371.525 3.104 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000433356858 500679450 /nfs/dbraw/zinc/67/94/50/500679450.db2.gz TUKXKKCQUWOKRA-KRWDZBQOSA-N 0 3 368.506 3.175 20 30 FGEDHN N#Cc1nc(NCC2(N3CCSCC3)CCCC2)ccc1C(F)(F)F ZINC000443521934 500733935 /nfs/dbraw/zinc/73/39/35/500733935.db2.gz KVWVTXJMWPSUBY-UHFFFAOYSA-N 0 3 370.444 3.167 20 30 FGEDHN CN(CCC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ccncc1 ZINC000570709654 506214849 /nfs/dbraw/zinc/21/48/49/506214849.db2.gz BWPWTLYBBZIKRT-MRXNPFEDSA-N 0 3 373.254 3.051 20 30 FGEDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2cccc(OCCCC#N)c2)cn1 ZINC000433932513 500766824 /nfs/dbraw/zinc/76/68/24/500766824.db2.gz IOOABCXCBRQRBQ-VQTJNVASSA-N 0 3 354.454 3.113 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNCc2ccc(C#N)c(C)c2)CC1 ZINC000443958323 500783807 /nfs/dbraw/zinc/78/38/07/500783807.db2.gz CWICAQFVRURKBW-UHFFFAOYSA-N 0 3 362.521 3.294 20 30 FGEDHN Cc1cc(CNCCNC(=O)c2cccc(Br)c2)ccc1C#N ZINC000443983001 500786864 /nfs/dbraw/zinc/78/68/64/500786864.db2.gz DBJRCWJWNRHGDT-UHFFFAOYSA-N 0 3 372.266 3.149 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(C#N)c1Br)N1CCCC[C@@H]1C ZINC000448696332 500806795 /nfs/dbraw/zinc/80/67/95/500806795.db2.gz GUKXKPFZFCIPJT-QWHCGFSZSA-N 0 3 364.287 3.313 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)c2ccc(C#N)n2C)c2ccccc2)CC1 ZINC000448766584 500827941 /nfs/dbraw/zinc/82/79/41/500827941.db2.gz CEWFVYQSFNXXEZ-FQEVSTJZSA-N 0 3 350.466 3.100 20 30 FGEDHN COC(=O)C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc(F)cc1 ZINC000448789215 500834456 /nfs/dbraw/zinc/83/44/56/500834456.db2.gz YVXNWJNNQMGGDQ-IEBWSBKVSA-N 0 3 368.408 3.319 20 30 FGEDHN CC1(C)CCCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)[C@@H]1C#N ZINC000434444435 500843450 /nfs/dbraw/zinc/84/34/50/500843450.db2.gz CRYZXFXLOQYTSB-HXUWFJFHSA-N 0 3 369.509 3.045 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)C(C)C#N)C(F)(F)F ZINC000434643728 500871654 /nfs/dbraw/zinc/87/16/54/500871654.db2.gz CXPZSSWZGXVGAY-ZUZCIYMTSA-N 0 3 350.344 3.368 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc(C#N)c1Br ZINC000448984820 500887299 /nfs/dbraw/zinc/88/72/99/500887299.db2.gz UKCVBQCYAVMDKB-AWEZNQCLSA-N 0 3 364.287 3.315 20 30 FGEDHN CCCCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000434858113 500902661 /nfs/dbraw/zinc/90/26/61/500902661.db2.gz MEHIDJONYHSPBN-BZUAXINKSA-N 0 3 361.511 3.298 20 30 FGEDHN C[C@H](CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000449285424 500966511 /nfs/dbraw/zinc/96/65/11/500966511.db2.gz QLXFVLBTNSGGCH-JLTOFOAXSA-N 0 3 369.415 3.331 20 30 FGEDHN CCOC(=O)c1nc(-c2cccc(C[NH2+]C3CCC(C)(C#N)CC3)c2)n[n-]1 ZINC000449325335 500977683 /nfs/dbraw/zinc/97/76/83/500977683.db2.gz LWSUJRMWSJKKEC-UHFFFAOYSA-N 0 3 367.453 3.210 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)C(C)C ZINC000440216500 500987804 /nfs/dbraw/zinc/98/78/04/500987804.db2.gz OZTBIGCHINVUMK-HSALFYBXSA-N 0 3 363.546 3.143 20 30 FGEDHN N#CCCCOc1cccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000449411328 500997564 /nfs/dbraw/zinc/99/75/64/500997564.db2.gz HRZNCZQLUCZFCI-RBUKOAKNSA-N 0 3 363.461 3.150 20 30 FGEDHN N#Cc1cccnc1OC1CCC(NCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440640571 501032732 /nfs/dbraw/zinc/03/27/32/501032732.db2.gz SMJXRMBVWFSADO-UHFFFAOYSA-N 0 3 365.359 3.175 20 30 FGEDHN COc1cc(OC)cc(OCCCNCc2ccc(C#N)c(OC)c2)c1 ZINC000440649290 501034115 /nfs/dbraw/zinc/03/41/15/501034115.db2.gz RNOJICLICDWXAW-UHFFFAOYSA-N 0 3 356.422 3.143 20 30 FGEDHN C[C@H]1OCC[C@@H]1N(CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449675532 501059550 /nfs/dbraw/zinc/05/95/50/501059550.db2.gz AIGPNBAOFUCUEN-VGSWGCGISA-N 0 3 366.461 3.109 20 30 FGEDHN C[C@H]1CN(CCC2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000450372544 501103589 /nfs/dbraw/zinc/10/35/89/501103589.db2.gz PVQMGTKGLSGIQB-HOTGVXAUSA-N 0 3 372.469 3.182 20 30 FGEDHN CS[C@@H]1CN(c2nc3ccccc3c(C)c2C#N)C[C@@H]1N1CCCC1 ZINC000450450322 501124454 /nfs/dbraw/zinc/12/44/54/501124454.db2.gz CITHBAXQBZRTCH-RBUKOAKNSA-N 0 3 352.507 3.431 20 30 FGEDHN CN(Cc1ccccn1)[C@@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450462811 501127472 /nfs/dbraw/zinc/12/74/72/501127472.db2.gz JOFWEANBXCKITJ-GOSISDBHSA-N 0 3 365.437 3.352 20 30 FGEDHN CN(C)C1(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CCC1 ZINC000446598242 501139810 /nfs/dbraw/zinc/13/98/10/501139810.db2.gz DFFWJZZQGCNZPB-UHFFFAOYSA-N 0 3 370.497 3.032 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000450023873 501157171 /nfs/dbraw/zinc/15/71/71/501157171.db2.gz OURQBRGXTXCZMG-URVUXULASA-N 0 3 354.494 3.092 20 30 FGEDHN C=CCOc1ccc(CC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000450074500 501173217 /nfs/dbraw/zinc/17/32/17/501173217.db2.gz NIXFXWQXFAYNET-UHFFFAOYSA-N 0 3 358.507 3.446 20 30 FGEDHN CCOC(=O)[C@](C)(CN[C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602631543 506239129 /nfs/dbraw/zinc/23/91/29/506239129.db2.gz QEOPMBFTSBNKIO-YLJYHZDGSA-N 0 3 358.482 3.196 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442084540 501196011 /nfs/dbraw/zinc/19/60/11/501196011.db2.gz RCASKQSOPULMNA-UHFFFAOYSA-N 0 3 358.364 3.261 20 30 FGEDHN Cc1cccc2c1CCC[C@H]2NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000596069533 506240477 /nfs/dbraw/zinc/24/04/77/506240477.db2.gz LNUNASTVQFJJPI-PGRDOPGGSA-N 0 3 350.462 3.468 20 30 FGEDHN CN(CCC(=O)Nc1sccc1C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000451323726 501265088 /nfs/dbraw/zinc/26/50/88/501265088.db2.gz JNBWKQZJTWPEOH-OAHLLOKOSA-N 0 3 363.870 3.267 20 30 FGEDHN C=CCN1CC[C@H](Nc2cc(Cl)ccc2OC2CCN(C)CC2)C1=O ZINC000453138030 501277119 /nfs/dbraw/zinc/27/71/19/501277119.db2.gz DKDUNRVIPFMXHT-INIZCTEOSA-N 0 3 363.889 3.012 20 30 FGEDHN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000453414839 501326686 /nfs/dbraw/zinc/32/66/86/501326686.db2.gz PGTHSKCXLYWPOY-JEVOJNTISA-N 0 3 373.545 3.405 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453427348 501329766 /nfs/dbraw/zinc/32/97/66/501329766.db2.gz VUPBOTGKRKURFE-GOSISDBHSA-N 0 3 369.513 3.272 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H](C(C)C)[C@H](CO)C(C)C)c(C#N)c1C ZINC000451603663 501335209 /nfs/dbraw/zinc/33/52/09/501335209.db2.gz XNRZISBPPHRQGR-NVXWUHKLSA-N 0 3 351.516 3.054 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000451606022 501335405 /nfs/dbraw/zinc/33/54/05/501335405.db2.gz GEHOSXCADKTEIQ-DYXWJJEUSA-N 0 3 370.880 3.479 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000451673541 501348421 /nfs/dbraw/zinc/34/84/21/501348421.db2.gz LDKXRLORXBOQOX-MAZHCROVSA-N 0 3 372.387 3.086 20 30 FGEDHN C=CCc1cc(CN[C@@H](CO)Cc2ccc(C)c(C)c2)cc(OC)c1O ZINC000453625617 501365915 /nfs/dbraw/zinc/36/59/15/501365915.db2.gz KTIBVCNOWQTZOH-HXUWFJFHSA-N 0 3 355.478 3.439 20 30 FGEDHN N#Cc1ncc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000455758648 501380181 /nfs/dbraw/zinc/38/01/81/501380181.db2.gz QMVAUNCLKSAQTB-AWEZNQCLSA-N 0 3 355.829 3.003 20 30 FGEDHN C[C@H]1[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000455770589 501382829 /nfs/dbraw/zinc/38/28/29/501382829.db2.gz XYISTHNDCQTAOW-SUMWQHHRSA-N 0 3 369.856 3.391 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000451888026 501393153 /nfs/dbraw/zinc/39/31/53/501393153.db2.gz HKVGVFYVOFWQDY-UWJYYQICSA-N 0 3 364.578 3.262 20 30 FGEDHN C[C@H]1CN(CC2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)C[C@H](C)O1 ZINC000455924474 501417299 /nfs/dbraw/zinc/41/72/99/501417299.db2.gz VYVPOVRCUKCWIU-IRXDYDNUSA-N 0 3 370.497 3.106 20 30 FGEDHN C[C@@H](NC1(CNC(=O)NCC(C)(C)CC#N)CCOCC1)c1ccccc1 ZINC000458363575 501427216 /nfs/dbraw/zinc/42/72/16/501427216.db2.gz DJCBFVZEWWIJMU-QGZVFWFLSA-N 0 3 372.513 3.125 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(C#N)c(F)c1)N(C)C ZINC000458750692 501522021 /nfs/dbraw/zinc/52/20/21/501522021.db2.gz AIPOOHAHFBRHDR-MGPUTAFESA-N 0 3 368.456 3.496 20 30 FGEDHN C=C(C)CCNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000454579170 501582923 /nfs/dbraw/zinc/58/29/23/501582923.db2.gz CHOVWUIABBKMTR-UHFFFAOYSA-N 0 3 359.514 3.323 20 30 FGEDHN N#CCc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000456735324 501589164 /nfs/dbraw/zinc/58/91/64/501589164.db2.gz QAYZFAMVACWONY-UHFFFAOYSA-N 0 3 362.477 3.294 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000456785520 501598085 /nfs/dbraw/zinc/59/80/85/501598085.db2.gz DOPCDACTWHWHDP-UHFFFAOYSA-N 0 3 358.829 3.265 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1C#N ZINC000459553192 501675697 /nfs/dbraw/zinc/67/56/97/501675697.db2.gz XABOZSPLCQASQG-UKRRQHHQSA-N 0 3 355.467 3.280 20 30 FGEDHN Cc1nsc(NC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)c1C#N ZINC000459574283 501679575 /nfs/dbraw/zinc/67/95/75/501679575.db2.gz XPZDCZAKFCVMPL-KRWDZBQOSA-N 0 3 369.494 3.355 20 30 FGEDHN CC[C@H]1C[C@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000467203520 501736069 /nfs/dbraw/zinc/73/60/69/501736069.db2.gz APOKFBFZUOXSKD-YOEHRIQHSA-N 0 3 352.400 3.294 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470732267 501784852 /nfs/dbraw/zinc/78/48/52/501784852.db2.gz JYHUJBADLKUHRR-YADHBBJMSA-N 0 3 374.488 3.440 20 30 FGEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1(C)C ZINC000467429499 501792033 /nfs/dbraw/zinc/79/20/33/501792033.db2.gz LZQLXQBEHKFSNK-QXAKKESOSA-N 0 3 357.498 3.342 20 30 FGEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460385129 501811276 /nfs/dbraw/zinc/81/12/76/501811276.db2.gz FSZPCUIAMQYPFZ-IAGOWNOFSA-N 0 3 361.534 3.057 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470829819 501821476 /nfs/dbraw/zinc/82/14/76/501821476.db2.gz FUCYSWGNVNFWGO-HXUWFJFHSA-N 0 3 359.429 3.464 20 30 FGEDHN COCCCC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000471026299 501894789 /nfs/dbraw/zinc/89/47/89/501894789.db2.gz WBTWVLHCPZJZHZ-LJQANCHMSA-N 0 3 357.498 3.477 20 30 FGEDHN Cc1ccn(-c2ccccc2CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000471061956 501906212 /nfs/dbraw/zinc/90/62/12/501906212.db2.gz MLQPUOJRPHBTAI-FQEVSTJZSA-N 0 3 369.428 3.051 20 30 FGEDHN COc1ccc(C2(CNC(=O)C(C#N)Cc3ccc(C#N)cc3)CCC2)cc1 ZINC000471083970 501914237 /nfs/dbraw/zinc/91/42/37/501914237.db2.gz ACMAAYWSYUEXLM-IBGZPJMESA-N 0 3 373.456 3.487 20 30 FGEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460777202 501919085 /nfs/dbraw/zinc/91/90/85/501919085.db2.gz FSZPCUIAMQYPFZ-IRXDYDNUSA-N 0 3 361.534 3.057 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460808029 501926687 /nfs/dbraw/zinc/92/66/87/501926687.db2.gz WDPGOGRVWXDRCC-IRXDYDNUSA-N 0 3 364.497 3.312 20 30 FGEDHN COc1cc2c(cc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)OCO2 ZINC000464415103 501983654 /nfs/dbraw/zinc/98/36/54/501983654.db2.gz SCKOIOYYJZTCKB-NSHDSACASA-N 0 3 364.279 3.328 20 30 FGEDHN C=C(C)COCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000475021025 502023524 /nfs/dbraw/zinc/02/35/24/502023524.db2.gz WOYCTMYRQRAUKP-QGZVFWFLSA-N 0 3 365.543 3.413 20 30 FGEDHN C[C@H](CCN1CCN(c2ccc(C#N)cn2)CC1)OCc1ccccc1 ZINC000475046216 502034577 /nfs/dbraw/zinc/03/45/77/502034577.db2.gz HNGPSGYEKPLKMB-GOSISDBHSA-N 0 3 350.466 3.071 20 30 FGEDHN COc1cc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000461227685 502046296 /nfs/dbraw/zinc/04/62/96/502046296.db2.gz SDLYAUMMEUXRPJ-FOIQADDNSA-N 0 3 366.465 3.057 20 30 FGEDHN C=C(C)COCCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000475082751 502049497 /nfs/dbraw/zinc/04/94/97/502049497.db2.gz UGKJLZYISJWPQA-UHFFFAOYSA-N 0 3 353.894 3.006 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000478694761 502060118 /nfs/dbraw/zinc/06/01/18/502060118.db2.gz AFHLAXVYFMRFAQ-UWVAXJGDSA-N 0 3 357.498 3.341 20 30 FGEDHN CCCCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000482654673 502141735 /nfs/dbraw/zinc/14/17/35/502141735.db2.gz GHOCVTZWAWEEBA-GUDVDZBRSA-N 0 3 355.482 3.237 20 30 FGEDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(Cl)cc1C#N ZINC000461947106 502247957 /nfs/dbraw/zinc/24/79/57/502247957.db2.gz IOVKLFLGZNXUJM-MJGOQNOKSA-N 0 3 370.884 3.210 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000472157503 502251233 /nfs/dbraw/zinc/25/12/33/502251233.db2.gz OZALGAQASUQWKC-KRWDZBQOSA-N 0 3 360.392 3.220 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(c3nc4ccccc4s3)C2)cc1 ZINC000472256280 502286191 /nfs/dbraw/zinc/28/61/91/502286191.db2.gz GCNDIHWYANHLIR-MRXNPFEDSA-N 0 3 372.453 3.476 20 30 FGEDHN N#Cc1ccccc1Sc1ccc(C(=O)NCCNc2ccncc2)cc1 ZINC000479553307 502294822 /nfs/dbraw/zinc/29/48/22/502294822.db2.gz JKKPFTAZQVHQMJ-UHFFFAOYSA-N 0 3 374.469 3.368 20 30 FGEDHN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1cnc2ccccc2n1 ZINC000483230565 502319402 /nfs/dbraw/zinc/31/94/02/502319402.db2.gz PFFQFTICGJBHSZ-INIZCTEOSA-N 0 3 356.385 3.012 20 30 FGEDHN COC1(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCCC1 ZINC000483263559 502333029 /nfs/dbraw/zinc/33/30/29/502333029.db2.gz CEBWKBPSYCGPSG-UHFFFAOYSA-N 0 3 350.466 3.188 20 30 FGEDHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000462261407 502371887 /nfs/dbraw/zinc/37/18/87/502371887.db2.gz YIIFGIONIWFAST-LLGFUMIMSA-N 0 3 362.477 3.439 20 30 FGEDHN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)N1CCCCCC1 ZINC000469316940 502372834 /nfs/dbraw/zinc/37/28/34/502372834.db2.gz VLISZSSLFOEDNG-FUHWJXTLSA-N 0 3 372.488 3.047 20 30 FGEDHN CCN1CC[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1C ZINC000469318806 502374437 /nfs/dbraw/zinc/37/44/37/502374437.db2.gz WUGJILVAYQJXLQ-PBHICJAKSA-N 0 3 352.438 3.158 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000483445896 502395693 /nfs/dbraw/zinc/39/56/93/502395693.db2.gz LHOMPKBOTDHNKD-DOPJRALCSA-N 0 3 369.446 3.050 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000487295709 502411741 /nfs/dbraw/zinc/41/17/41/502411741.db2.gz DOXQXFUNXFLESW-KRWDZBQOSA-N 0 3 357.479 3.059 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)CN1C1CC1 ZINC000469554790 502460972 /nfs/dbraw/zinc/46/09/72/502460972.db2.gz SNZJLEDUWZXPQE-JKSUJKDBSA-N 0 3 350.466 3.300 20 30 FGEDHN CCO[C@@H]1C[C@H](NCCOc2ccc(C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000480172104 502490594 /nfs/dbraw/zinc/49/05/94/502490594.db2.gz MGKKRXOHMKFENH-HBMCJLEFSA-N 0 3 352.434 3.152 20 30 FGEDHN CC(C)O[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000462833657 502593042 /nfs/dbraw/zinc/59/30/42/502593042.db2.gz MTWOGGALDVEHGY-GBESFXJTSA-N 0 3 355.482 3.235 20 30 FGEDHN Cc1ccc2ncc(C#N)c(NCc3ccccc3OCCN(C)C)c2c1 ZINC000488049883 502612643 /nfs/dbraw/zinc/61/26/43/502612643.db2.gz NMAFXQNUCZMLGS-UHFFFAOYSA-N 0 3 360.461 3.389 20 30 FGEDHN Cc1nc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000488063558 502615810 /nfs/dbraw/zinc/61/58/10/502615810.db2.gz KJJQJXONWZDGFB-QGZVFWFLSA-N 0 3 360.383 3.389 20 30 FGEDHN Cc1cc(C)c(NC(=O)CCCN2C[C@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602855078 506327020 /nfs/dbraw/zinc/32/70/20/506327020.db2.gz RQVYTZMGSMPAQZ-OALUTQOASA-N 0 3 356.514 3.249 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1cccc(C#N)c1 ZINC000466807953 502688735 /nfs/dbraw/zinc/68/87/35/502688735.db2.gz ATUVQXUUSLLTAB-UHFFFAOYSA-N 0 3 368.456 3.013 20 30 FGEDHN CNC(=O)c1cc(O[C@@H]2CCCN(CCCCC(C)(C)C#N)C2)ccn1 ZINC000602859238 506329007 /nfs/dbraw/zinc/32/90/07/506329007.db2.gz FNBYOAUTIQBBHS-QGZVFWFLSA-N 0 3 358.486 3.004 20 30 FGEDHN C=CCOc1ccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)cc1Cl ZINC000484731578 502723892 /nfs/dbraw/zinc/72/38/92/502723892.db2.gz WOXBASVUKJXCBF-GOSISDBHSA-N 0 3 355.862 3.087 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCC[C@@H](COC)C1 ZINC000467119953 502794012 /nfs/dbraw/zinc/79/40/12/502794012.db2.gz MWFZVWQCPXFGPB-IAGOWNOFSA-N 0 3 350.528 3.400 20 30 FGEDHN C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H](c1ccccc1)N(C)C ZINC000500668228 502836386 /nfs/dbraw/zinc/83/63/86/502836386.db2.gz GKOLDVZYFBKLMV-YWZLYKJASA-N 0 3 350.466 3.045 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-n2cccn2)cc1)C(C)C ZINC000495965779 502868509 /nfs/dbraw/zinc/86/85/09/502868509.db2.gz NCEXMNYYGGTDRG-HXUWFJFHSA-N 0 3 352.482 3.301 20 30 FGEDHN COC(=O)C[C@@](C)(NCCCC1(C#N)CCOCC1)c1cccc(F)c1 ZINC000513174616 502869079 /nfs/dbraw/zinc/86/90/79/502869079.db2.gz WMWOXCVXRRYONY-LJQANCHMSA-N 0 3 362.445 3.294 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1c(F)cccc1C#N ZINC000513285640 502896452 /nfs/dbraw/zinc/89/64/52/502896452.db2.gz AVRMHXNBGKSBQC-KRWDZBQOSA-N 0 3 365.452 3.363 20 30 FGEDHN N#Cc1ccc(Cl)c(C(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000505563953 502937013 /nfs/dbraw/zinc/93/70/13/502937013.db2.gz KGBGRZZXWDDGED-UHFFFAOYSA-N 0 3 363.914 3.303 20 30 FGEDHN N#Cc1ccc(C2CCN(C[C@H](O)COc3ccccc3Cl)CC2)nc1 ZINC000602912202 506347213 /nfs/dbraw/zinc/34/72/13/506347213.db2.gz MGNIYSFEMJBWCW-KRWDZBQOSA-N 0 3 371.868 3.226 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513862741 503037755 /nfs/dbraw/zinc/03/77/55/503037755.db2.gz YXMHSOXMXKMTPV-WQFMGJDKSA-N 0 3 359.857 3.086 20 30 FGEDHN CC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(OC)c(OC)c1 ZINC000510237941 503077251 /nfs/dbraw/zinc/07/72/51/503077251.db2.gz HLJADYWTVJJXGN-DKICVRJWSA-N 0 3 361.486 3.187 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC(F)(C#N)CC2)[C@H]1c1cccs1 ZINC000498028683 503090345 /nfs/dbraw/zinc/09/03/45/503090345.db2.gz RZOLEZMAULLVDG-ZBFHGGJFSA-N 0 3 364.490 3.168 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)N2CCC(F)(C#N)CC2)[C@@H]1c1cccs1 ZINC000498028681 503090608 /nfs/dbraw/zinc/09/06/08/503090608.db2.gz RZOLEZMAULLVDG-GOEBONIOSA-N 0 3 364.490 3.168 20 30 FGEDHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C(C)C#N)CC2 ZINC000510337444 503094550 /nfs/dbraw/zinc/09/45/50/503094550.db2.gz ZOYNTTPOSXLJPW-VBKZILBWSA-N 0 3 350.418 3.338 20 30 FGEDHN Cc1ccccc1C1(NC[C@@H](O)COc2ccc(CC#N)cc2)CCC1 ZINC000593041193 506355570 /nfs/dbraw/zinc/35/55/70/506355570.db2.gz XGCCIPHTLMSKGB-LJQANCHMSA-N 0 3 350.462 3.470 20 30 FGEDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000593045591 506356038 /nfs/dbraw/zinc/35/60/38/506356038.db2.gz JELXCBYFKXQXSI-PZJWPPBQSA-N 0 3 354.425 3.101 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000510884809 503210395 /nfs/dbraw/zinc/21/03/95/503210395.db2.gz UAYVGXXHKLQXKV-NRFANRHFSA-N 0 3 365.452 3.314 20 30 FGEDHN CCCN1CCN(c2ccc(NC(=O)CC(C)(C)C#N)c(OCC)c2)CC1 ZINC000507605519 503330291 /nfs/dbraw/zinc/33/02/91/503330291.db2.gz XZRBMGGJMIOBDA-UHFFFAOYSA-N 0 3 372.513 3.496 20 30 FGEDHN Cc1cc(CNC[C@@H](O)CN(C)CCC#N)ccc1Oc1ccc(F)cc1 ZINC000515415486 503333799 /nfs/dbraw/zinc/33/37/99/503333799.db2.gz RVMGXSRYMGHGTJ-LJQANCHMSA-N 0 3 371.456 3.222 20 30 FGEDHN C=C(C)COCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511512884 503335382 /nfs/dbraw/zinc/33/53/82/503335382.db2.gz MQKNIJDJMLURCN-LJQANCHMSA-N 0 3 359.514 3.179 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000515431503 503337423 /nfs/dbraw/zinc/33/74/23/503337423.db2.gz HCVCBYVCURKYAR-FXAWDEMLSA-N 0 3 365.477 3.350 20 30 FGEDHN C[C@H](N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)N(C)CCC#N ZINC000511587622 503349756 /nfs/dbraw/zinc/34/97/56/503349756.db2.gz LDIJUTWQHNUEAZ-BLLLJJGKSA-N 0 3 369.387 3.386 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nc1 ZINC000492910190 503393071 /nfs/dbraw/zinc/39/30/71/503393071.db2.gz GLTCDWPOJKPAMI-IBGZPJMESA-N 0 3 350.466 3.246 20 30 FGEDHN C=CCN(CCc1ccco1)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000493957345 503465450 /nfs/dbraw/zinc/46/54/50/503465450.db2.gz HNDMBCOTMUOQKS-UHFFFAOYSA-N 0 3 371.485 3.314 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(c3ccccc3)C2)cc1 ZINC000602990575 506375414 /nfs/dbraw/zinc/37/54/14/506375414.db2.gz YQUFPHWUHNSAGH-CQSZACIVSA-N 0 3 369.446 3.004 20 30 FGEDHN N#CC(C(=O)c1ccc2c(c1)SCC(=O)N2)c1cnc2ccccc2n1 ZINC000516691814 503571016 /nfs/dbraw/zinc/57/10/16/503571016.db2.gz POGRPAAAXHOIAT-LBPRGKRZSA-N 0 3 360.398 3.164 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccco1 ZINC000504419587 503571861 /nfs/dbraw/zinc/57/18/61/503571861.db2.gz PHRMPAIAONJFEZ-CRAIPNDOSA-N 0 3 357.429 3.199 20 30 FGEDHN C=CCn1c(COCC)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000508875645 503585212 /nfs/dbraw/zinc/58/52/12/503585212.db2.gz VGDQZQTZXWKPKE-IBGZPJMESA-N 0 3 369.513 3.101 20 30 FGEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000508921771 503600393 /nfs/dbraw/zinc/60/03/93/503600393.db2.gz MYFXGYGTCSGCHF-UHFFFAOYSA-N 0 3 354.502 3.160 20 30 FGEDHN C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512654852 503604734 /nfs/dbraw/zinc/60/47/34/503604734.db2.gz PGEBSAFTVPMKEG-NBCNXNJRSA-N 0 3 367.468 3.231 20 30 FGEDHN C[C@@H](NC1CCN(C(=O)CC(F)(F)F)CC1)c1ccc(C#N)cc1F ZINC000512670818 503609185 /nfs/dbraw/zinc/60/91/85/503609185.db2.gz BKVWZONGSKLQMY-LLVKDONJSA-N 0 3 357.351 3.291 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1OC ZINC000512884581 503650264 /nfs/dbraw/zinc/65/02/64/503650264.db2.gz FVOHRJNDEZEIGA-SFHVURJKSA-N 0 3 373.497 3.030 20 30 FGEDHN CS[C@@H]1CN(c2cccc(Br)c2C#N)C[C@@H]1N1CCCC1 ZINC000517063708 503652340 /nfs/dbraw/zinc/65/23/40/503652340.db2.gz NAZWQDRIHZWZSI-JKSUJKDBSA-N 0 3 366.328 3.337 20 30 FGEDHN N#Cc1ccc2nc(NCc3ccc(CN4CCC(O)CC4)cc3)ccc2c1 ZINC000540078618 503665568 /nfs/dbraw/zinc/66/55/68/503665568.db2.gz ZPZTYVIBIJVOJD-UHFFFAOYSA-N 0 3 372.472 3.097 20 30 FGEDHN N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CCN3C3CCCCC3)CC2)c1 ZINC000529715175 503673411 /nfs/dbraw/zinc/67/34/11/503673411.db2.gz CJJOQWSSTFUCSW-LJQANCHMSA-N 0 3 355.457 3.252 20 30 FGEDHN CN(C)CCOc1ccc(CCNc2ccc3cc(C#N)ccc3n2)cc1 ZINC000536766632 503717265 /nfs/dbraw/zinc/71/72/65/503717265.db2.gz JQCSAMCVDDGLHU-UHFFFAOYSA-N 0 3 360.461 3.123 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000537059826 503791343 /nfs/dbraw/zinc/79/13/43/503791343.db2.gz BAJDOPZVFRKHII-OAHLLOKOSA-N 0 3 371.403 3.394 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530021609 503794218 /nfs/dbraw/zinc/79/42/18/503794218.db2.gz AZAAORCIAFDHRD-OAHLLOKOSA-N 0 3 362.271 3.067 20 30 FGEDHN CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000517649703 503797365 /nfs/dbraw/zinc/79/73/65/503797365.db2.gz MLSUHXUEARWIDC-GOSISDBHSA-N 0 3 362.433 3.054 20 30 FGEDHN CC1CCN(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000517664419 503800777 /nfs/dbraw/zinc/80/07/77/503800777.db2.gz YLDJEDCXDYNWKE-UHFFFAOYSA-N 0 3 364.449 3.207 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000537102618 503802458 /nfs/dbraw/zinc/80/24/58/503802458.db2.gz LHDJOUPKPLJXAQ-HNNXBMFYSA-N 0 3 371.403 3.394 20 30 FGEDHN C=CCCCCCN(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000540551922 503814226 /nfs/dbraw/zinc/81/42/26/503814226.db2.gz VEBFTQRGABPWAK-GOSISDBHSA-N 0 3 374.554 3.135 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000517732803 503820784 /nfs/dbraw/zinc/82/07/84/503820784.db2.gz MBUMKOJSHRZZEI-PKOBYXMFSA-N 0 3 372.465 3.397 20 30 FGEDHN C=CCC[C@H](NCC(=O)N1CCCC[C@H]1C(=O)OCC)c1ccccc1 ZINC000537157556 503820927 /nfs/dbraw/zinc/82/09/27/503820927.db2.gz MLSGHURGMGRAGK-OALUTQOASA-N 0 3 358.482 3.228 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CNC1(c2ccccc2)CCOCC1 ZINC000533381712 503823958 /nfs/dbraw/zinc/82/39/58/503823958.db2.gz XFTIDKPBKHSOHP-OAQYLSRUSA-N 0 3 367.489 3.450 20 30 FGEDHN COc1ccc(OC)c(CN(CCC(=O)N(C)CCC#N)C(C)(C)C)c1 ZINC000517766964 503831790 /nfs/dbraw/zinc/83/17/90/503831790.db2.gz OQLQRMMRYHAIAS-UHFFFAOYSA-N 0 3 361.486 3.066 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1COc2ccc3ccccc3c2C1 ZINC000530235247 503885758 /nfs/dbraw/zinc/88/57/58/503885758.db2.gz GXEPEXBICJMIIT-MOPGFXCFSA-N 0 3 374.440 3.044 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000530240716 503889363 /nfs/dbraw/zinc/88/93/63/503889363.db2.gz GNMDQCZRBYTTCO-XLIONFOSSA-N 0 3 356.853 3.423 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccsc2)c(OC)c1 ZINC000530244804 503892447 /nfs/dbraw/zinc/89/24/47/503892447.db2.gz QHGGFRHGXSSZQV-FGTMMUONSA-N 0 3 359.491 3.371 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533639188 503911016 /nfs/dbraw/zinc/91/10/16/503911016.db2.gz XGOZBIFNDSQEGS-MJGOQNOKSA-N 0 3 357.816 3.412 20 30 FGEDHN C[C@@H](CC(=O)N(CCC#N)CCCN(C)C)C(=O)c1ccc(Cl)cc1 ZINC000537482189 503928881 /nfs/dbraw/zinc/92/88/81/503928881.db2.gz RBFXYLPBOKWZRV-HNNXBMFYSA-N 0 3 363.889 3.243 20 30 FGEDHN Cc1c(Cl)cnc(NCc2ccc(OCCN3CCCC3)cc2)c1C#N ZINC000541279173 504072042 /nfs/dbraw/zinc/07/20/42/504072042.db2.gz OPMPQXFJINKVNE-UHFFFAOYSA-N 0 3 370.884 3.424 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](C2CCOCC2)C1 ZINC000534381617 504125558 /nfs/dbraw/zinc/12/55/58/504125558.db2.gz AZGJFWAXFMDIGZ-AEFFLSMTSA-N 0 3 362.539 3.400 20 30 FGEDHN C=CC[C@@H](CO)CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000538211798 504163363 /nfs/dbraw/zinc/16/33/63/504163363.db2.gz XLECBUCQIWUSAY-IAGOWNOFSA-N 0 3 365.543 3.005 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000531048060 504171424 /nfs/dbraw/zinc/17/14/24/504171424.db2.gz NHQXNQOQXMNOLQ-UHFFFAOYSA-N 0 3 367.493 3.108 20 30 FGEDHN C=CCCOCCNC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000534579224 504181268 /nfs/dbraw/zinc/18/12/68/504181268.db2.gz GXMKKKDEPWJRAM-ICSRJNTNSA-N 0 3 359.514 3.446 20 30 FGEDHN C=C(C)CN(CC)C(=O)COc1ccc(OCCN2CCCCC2)cc1 ZINC000531110713 504193059 /nfs/dbraw/zinc/19/30/59/504193059.db2.gz COTMOSUSESEAQG-UHFFFAOYSA-N 0 3 360.498 3.355 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(c2ccccc2F)CC1 ZINC000528389209 504202036 /nfs/dbraw/zinc/20/20/36/504202036.db2.gz QGMCZDDYESHNCD-SFHVURJKSA-N 0 3 354.425 3.317 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2CCCOC2)ccc1Cl ZINC000541647053 504209369 /nfs/dbraw/zinc/20/93/69/504209369.db2.gz CSRZCPKLVDGQHF-HZPDHXFCSA-N 0 3 363.889 3.300 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2CCCOC2)ccc1Cl ZINC000541647052 504209575 /nfs/dbraw/zinc/20/95/75/504209575.db2.gz CSRZCPKLVDGQHF-HOTGVXAUSA-N 0 3 363.889 3.300 20 30 FGEDHN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1ccccc1C#N)CCC2 ZINC000528425150 504218570 /nfs/dbraw/zinc/21/85/70/504218570.db2.gz MRMNWEUXKCKQRO-WBVHZDCISA-N 0 3 371.506 3.326 20 30 FGEDHN Cc1ccccc1C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000541695415 504224661 /nfs/dbraw/zinc/22/46/61/504224661.db2.gz GLMACHUZORUXHY-HXUWFJFHSA-N 0 3 350.462 3.486 20 30 FGEDHN CC1(C)CN(C[C@@H](O)COc2ccccc2C#N)CC[C@@H]1C(F)(F)F ZINC000528473828 504238424 /nfs/dbraw/zinc/23/84/24/504238424.db2.gz IMJUFNXRTZDDLF-ZBFHGGJFSA-N 0 3 356.388 3.208 20 30 FGEDHN CC1(C)CN(C[C@@H](O)COc2ccccc2C#N)CC[C@H]1C(F)(F)F ZINC000528473825 504238581 /nfs/dbraw/zinc/23/85/81/504238581.db2.gz IMJUFNXRTZDDLF-GDBMZVCRSA-N 0 3 356.388 3.208 20 30 FGEDHN CC[C@@H](C)n1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C ZINC000538691995 504329341 /nfs/dbraw/zinc/32/93/41/504329341.db2.gz RSOGWACDRDQPSF-MRXNPFEDSA-N 0 3 367.497 3.238 20 30 FGEDHN N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4c(c3)OCCNC4)CC2)cc1 ZINC000528712536 504344518 /nfs/dbraw/zinc/34/45/18/504344518.db2.gz KNGBYFHHGDBOQS-UHFFFAOYSA-N 0 3 374.444 3.361 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000545296828 504433689 /nfs/dbraw/zinc/43/36/89/504433689.db2.gz XWUONUIAPPVOSO-YJBOKZPZSA-N 0 3 364.449 3.351 20 30 FGEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)Cn1ccc(C(F)F)n1 ZINC000528920123 504450024 /nfs/dbraw/zinc/45/00/24/504450024.db2.gz MVOIMIVZGRAFTK-AWEZNQCLSA-N 0 3 374.391 3.293 20 30 FGEDHN C=C(CC)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000539103279 504473523 /nfs/dbraw/zinc/47/35/23/504473523.db2.gz NAVWSKBCEVMZSI-UHFFFAOYSA-N 0 3 352.276 3.461 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000539377069 504547204 /nfs/dbraw/zinc/54/72/04/504547204.db2.gz IHSNGJFIIRUKTA-FIKGOQFSSA-N 0 3 356.514 3.380 20 30 FGEDHN COC(=O)CC1(NCC(=O)N(CCC#N)c2cccc(C)c2C)CCCC1 ZINC000548753633 504552987 /nfs/dbraw/zinc/55/29/87/504552987.db2.gz BEKIHDOLGYGRDU-UHFFFAOYSA-N 0 3 371.481 3.016 20 30 FGEDHN Cc1cc([C@H](NCC(=O)NCc2cccc(C#N)c2)C2CC2)ccc1F ZINC000539423737 504566759 /nfs/dbraw/zinc/56/67/59/504566759.db2.gz GCKBRFLSBRYWFM-OAQYLSRUSA-N 0 3 351.425 3.363 20 30 FGEDHN CCOc1cccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 ZINC000532419148 504643693 /nfs/dbraw/zinc/64/36/93/504643693.db2.gz CKOFVQQBZHZPMK-KRWDZBQOSA-N 0 3 354.429 3.250 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccccc1OCCN(C)C)c1ccc(C#N)cc1 ZINC000521215959 504683277 /nfs/dbraw/zinc/68/32/77/504683277.db2.gz UESJOPGBXNJOAY-MRXNPFEDSA-N 0 3 366.465 3.059 20 30 FGEDHN CC#CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000536459930 504739574 /nfs/dbraw/zinc/73/95/74/504739574.db2.gz MJBHKBOQEWVKLW-WBVHZDCISA-N 0 3 367.415 3.411 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCSCc2ccccc2F)CC1 ZINC000521582827 504760114 /nfs/dbraw/zinc/76/01/14/504760114.db2.gz TXBMTGYJWRLUFW-UHFFFAOYSA-N 0 3 365.518 3.399 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000521600322 504762359 /nfs/dbraw/zinc/76/23/59/504762359.db2.gz JCFRXRGUFNCHIM-UHFFFAOYSA-N 0 3 372.296 3.322 20 30 FGEDHN C[C@@H](Cc1cccc(Br)c1)NCc1cnc2c(C#N)cnn2c1 ZINC000556198825 504817514 /nfs/dbraw/zinc/81/75/14/504817514.db2.gz XSOPUSFVQXCJIG-LBPRGKRZSA-N 0 3 370.254 3.084 20 30 FGEDHN N#Cc1cnn2cc(CNCCOc3cccc(Cl)c3Cl)cnc12 ZINC000556214130 504820988 /nfs/dbraw/zinc/82/09/88/504820988.db2.gz JXEAHYZQFXGTPR-UHFFFAOYSA-N 0 3 362.220 3.076 20 30 FGEDHN Cc1ccc([C@@H](CNc2nc3c(cc2C#N)COCC3)N2CCCC2)cc1 ZINC000562530160 504848679 /nfs/dbraw/zinc/84/86/79/504848679.db2.gz VUIWVHJYNCTDAJ-OAQYLSRUSA-N 0 3 362.477 3.005 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(C#N)n1 ZINC000565303118 504849450 /nfs/dbraw/zinc/84/94/50/504849450.db2.gz QRXLSARPJPTNJM-GOSISDBHSA-N 0 3 363.465 3.375 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OCC)c(Cl)c2)CC1 ZINC000556443954 504876362 /nfs/dbraw/zinc/87/63/62/504876362.db2.gz CQLXHLBCJUAYLL-UHFFFAOYSA-N 0 3 351.878 3.188 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000565478758 504899986 /nfs/dbraw/zinc/89/99/86/504899986.db2.gz KZXLBKYVHXESPJ-PMACEKPBSA-N 0 3 368.502 3.333 20 30 FGEDHN CCCN(CCN1CCCC1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000553388266 504901191 /nfs/dbraw/zinc/90/11/91/504901191.db2.gz VKAKNXPAAXUGOE-UHFFFAOYSA-N 0 3 365.481 3.000 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N3CC[C@@H](N4CCCCC4)C3)c2c1 ZINC000553387640 504901401 /nfs/dbraw/zinc/90/14/01/504901401.db2.gz GFVXXTOKDHISNQ-MRXNPFEDSA-N 0 3 366.465 3.188 20 30 FGEDHN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC000549820851 504907248 /nfs/dbraw/zinc/90/72/48/504907248.db2.gz YDXLAUVBSPBMFP-UHFFFAOYSA-N 0 3 364.497 3.005 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000559793505 504929230 /nfs/dbraw/zinc/92/92/30/504929230.db2.gz BJNFUYGCWLECEN-FUHWJXTLSA-N 0 3 358.482 3.334 20 30 FGEDHN C[C@H]([NH2+]C1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCC1)c1ccccc1 ZINC000553494489 504930939 /nfs/dbraw/zinc/93/09/39/504930939.db2.gz GBTSWZRYNVJKMJ-HNNXBMFYSA-N 0 3 373.478 3.093 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1Cl ZINC000565681028 504957058 /nfs/dbraw/zinc/95/70/58/504957058.db2.gz SSZXZPJXHMNNEA-SFHVURJKSA-N 0 3 374.868 3.100 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C#N)s2)C1 ZINC000562931821 504991059 /nfs/dbraw/zinc/99/10/59/504991059.db2.gz SWXDDFMMNPEKRY-HOCLYGCPSA-N 0 3 354.479 3.254 20 30 FGEDHN CC(C)n1cc([C@H](C)NCC#CCN[C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000560165075 505008468 /nfs/dbraw/zinc/00/84/68/505008468.db2.gz BDCJYHPGUOJAGB-ROUUACIJSA-N 0 3 356.518 3.246 20 30 FGEDHN N#Cc1nc(-c2ccco2)oc1N1CCN(CC2Cc3ccccc3C2)CC1 ZINC000565866220 505010524 /nfs/dbraw/zinc/01/05/24/505010524.db2.gz QBGBJZDCKRIWPN-UHFFFAOYSA-N 0 3 374.444 3.343 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562997982 505014531 /nfs/dbraw/zinc/01/45/31/505014531.db2.gz XIPMXVOWRJCDCP-KRWDZBQOSA-N 0 3 364.405 3.462 20 30 FGEDHN C[C@@]1(CNCCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000562998402 505014682 /nfs/dbraw/zinc/01/46/82/505014682.db2.gz HSBHKNYUKSIDHC-PMACEKPBSA-N 0 3 354.475 3.115 20 30 FGEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000566111340 505085092 /nfs/dbraw/zinc/08/50/92/505085092.db2.gz AVMVDOWQEBRBEA-ZDUSSCGKSA-N 0 3 364.417 3.003 20 30 FGEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@H](O)CN(C)CCC#N ZINC000566118673 505087081 /nfs/dbraw/zinc/08/70/81/505087081.db2.gz YGWCKCOYZVUMLG-QAPCUYQASA-N 0 3 372.538 3.284 20 30 FGEDHN CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000566121110 505088005 /nfs/dbraw/zinc/08/80/05/505088005.db2.gz XPBLJPSXZACQOJ-DENIHFKCSA-N 0 3 364.445 3.168 20 30 FGEDHN N#Cc1cc(NC[C@H](c2ccccc2)N2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000557477820 505145458 /nfs/dbraw/zinc/14/54/58/505145458.db2.gz VKGFLUMYXDVAHH-GOSISDBHSA-N 0 3 351.410 3.298 20 30 FGEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000557594038 505177867 /nfs/dbraw/zinc/17/78/67/505177867.db2.gz LBQVWIAJMIRGNH-ZJTDPSCFSA-N 0 3 354.425 3.350 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551263205 505188398 /nfs/dbraw/zinc/18/83/98/505188398.db2.gz JGDWUORJCLKGAV-QRWLVFNGSA-N 0 3 351.425 3.338 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551263206 505188640 /nfs/dbraw/zinc/18/86/40/505188640.db2.gz JGDWUORJCLKGAV-YWZLYKJASA-N 0 3 351.425 3.338 20 30 FGEDHN C=CCC[C@@H](C)NCC(=O)Nc1ccc(I)cc1 ZINC000563611757 505192014 /nfs/dbraw/zinc/19/20/14/505192014.db2.gz FMNQYSKXIUJQFB-LLVKDONJSA-N 0 3 358.223 3.174 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)Nc2nccc(C#N)c2Cl)cc1 ZINC000557647723 505192872 /nfs/dbraw/zinc/19/28/72/505192872.db2.gz YHAAJHQDDQJRBS-KRWDZBQOSA-N 0 3 356.857 3.286 20 30 FGEDHN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C(C)C#N)C1 ZINC000557676770 505200065 /nfs/dbraw/zinc/20/00/65/505200065.db2.gz MFVDKBAFPDKVJO-HIFRSBDPSA-N 0 3 364.287 3.311 20 30 FGEDHN C=CCN(CCC(=O)NC(=O)NCc1ccccc1)CCc1ccccc1 ZINC000557822548 505238544 /nfs/dbraw/zinc/23/85/44/505238544.db2.gz RZQRJTPPJNDDHS-UHFFFAOYSA-N 0 3 365.477 3.133 20 30 FGEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000563912742 505273758 /nfs/dbraw/zinc/27/37/58/505273758.db2.gz MGHVFICKBDGLEF-KRWDZBQOSA-N 0 3 352.438 3.160 20 30 FGEDHN C=CCc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc(OC)c1OC ZINC000558020504 505288020 /nfs/dbraw/zinc/28/80/20/505288020.db2.gz CDQZCHHPDIILIU-GPMSIDNRSA-N 0 3 372.509 3.235 20 30 FGEDHN N#Cc1ccnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1Cl ZINC000561326639 505314901 /nfs/dbraw/zinc/31/49/01/505314901.db2.gz YBBMSEJZXJFDSO-UHFFFAOYSA-N 0 3 358.795 3.246 20 30 FGEDHN COc1ccc(C[C@@](C)(O)CN[C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000555002544 505325332 /nfs/dbraw/zinc/32/53/32/505325332.db2.gz IFPNGJCDFYVWKS-LHSJRXKWSA-N 0 3 372.440 3.359 20 30 FGEDHN C=CCOc1ccccc1CNC[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000561491320 505359459 /nfs/dbraw/zinc/35/94/59/505359459.db2.gz YMWGLELBBMRYTA-LJQANCHMSA-N 0 3 365.477 3.369 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)c2cc(C#N)cn2C)N(CC)CC)cc1 ZINC000558352197 505366431 /nfs/dbraw/zinc/36/64/31/505366431.db2.gz LCMJYSOVCKAAIW-HXUWFJFHSA-N 0 3 352.482 3.272 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCN2CCC[C@H]2C1 ZINC000555243436 505389395 /nfs/dbraw/zinc/38/93/95/505389395.db2.gz TZHFAUFPUBYWJV-KRWDZBQOSA-N 0 3 371.916 3.383 20 30 FGEDHN CC(C)[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000564442176 505421077 /nfs/dbraw/zinc/42/10/77/505421077.db2.gz BLVQLMHHPKWTFV-IRXDYDNUSA-N 0 3 357.420 3.198 20 30 FGEDHN C=CCOc1ccccc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000552200691 505427699 /nfs/dbraw/zinc/42/76/99/505427699.db2.gz MMHQKOMIGUKLEF-SFHVURJKSA-N 0 3 352.434 3.070 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000564570655 505457154 /nfs/dbraw/zinc/45/71/54/505457154.db2.gz AFRKQAWJMZCDIE-AWEZNQCLSA-N 0 3 360.310 3.364 20 30 FGEDHN C[C@@H](C#N)CN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000552365592 505473781 /nfs/dbraw/zinc/47/37/81/505473781.db2.gz JWCGXDTVMLSBMO-YJBOKZPZSA-N 0 3 361.436 3.294 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000555686655 505491904 /nfs/dbraw/zinc/49/19/04/505491904.db2.gz XYTPLANTLZNNSC-YLJYHZDGSA-N 0 3 372.852 3.105 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000564858602 505541307 /nfs/dbraw/zinc/54/13/07/505541307.db2.gz VGILDZIXLVAGRF-XLIONFOSSA-N 0 3 361.445 3.446 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000558995962 505547486 /nfs/dbraw/zinc/54/74/86/505547486.db2.gz UMCUMLDJMAZFJL-QGZVFWFLSA-N 0 3 359.543 3.283 20 30 FGEDHN N#CCc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000567745223 505554956 /nfs/dbraw/zinc/55/49/56/505554956.db2.gz AIGRTHLOLYXGOF-UHFFFAOYSA-N 0 3 362.477 3.216 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)Nc2cccc3cc[nH]c32)cc1 ZINC000562265299 505556259 /nfs/dbraw/zinc/55/62/59/505556259.db2.gz DGIPFYCTKFICHJ-LBPRGKRZSA-N 0 3 368.418 3.498 20 30 FGEDHN COCCN(C[C@H](O)COc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000599271050 506391467 /nfs/dbraw/zinc/39/14/67/506391467.db2.gz HIKDXTINBLXJPR-PXNSSMCTSA-N 0 3 354.450 3.008 20 30 FGEDHN COc1ccc([C@H](C)NC[C@H](O)CC2(C#N)CC2)cc1Br ZINC000599351506 506424416 /nfs/dbraw/zinc/42/44/16/506424416.db2.gz ZAHWPVSRIRLBJH-WCQYABFASA-N 0 3 353.260 3.163 20 30 FGEDHN COc1ccccc1[C@H](CC(C)C)NC[C@H](O)CC1(C#N)CCOCC1 ZINC000599355380 506426141 /nfs/dbraw/zinc/42/61/41/506426141.db2.gz ZSPMURIMYTTZLU-MJGOQNOKSA-N 0 3 360.498 3.443 20 30 FGEDHN COc1ccc2oc([C@@H](C)NC[C@H](O)CC3(C#N)CCOCC3)c(C)c2c1 ZINC000599358385 506427943 /nfs/dbraw/zinc/42/79/43/506427943.db2.gz HQUSYSNFKVWLON-HZPDHXFCSA-N 0 3 372.465 3.472 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1cccs1 ZINC000603129820 506431853 /nfs/dbraw/zinc/43/18/53/506431853.db2.gz PEEZNPCZGWXDJU-SUMWQHHRSA-N 0 3 355.467 3.219 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1cccc(OC)c1 ZINC000612098306 506434865 /nfs/dbraw/zinc/43/48/65/506434865.db2.gz LCZJGLUHGRFREX-PZJWPPBQSA-N 0 3 372.513 3.413 20 30 FGEDHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599385942 506436289 /nfs/dbraw/zinc/43/62/89/506436289.db2.gz JQNVSFVUWTYLTD-YPMHNXCESA-N 0 3 353.260 3.163 20 30 FGEDHN Cc1cccc([C@@H]2CCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174194 506473296 /nfs/dbraw/zinc/47/32/96/506473296.db2.gz URKUZVWXZZEDMU-RTWAWAEBSA-N 0 3 350.462 3.290 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000596601099 506482181 /nfs/dbraw/zinc/48/21/81/506482181.db2.gz NROOVHJVOZGCQK-IBGZPJMESA-N 0 3 356.514 3.275 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000596601094 506482522 /nfs/dbraw/zinc/48/25/22/506482522.db2.gz MLOKQZNPJJDFFQ-CTNGQTDRSA-N 0 3 356.514 3.433 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@](C)(C#N)C2)N(C)C)cc1 ZINC000596601098 506483265 /nfs/dbraw/zinc/48/32/65/506483265.db2.gz MLOKQZNPJJDFFQ-PZJWPPBQSA-N 0 3 356.514 3.433 20 30 FGEDHN Cc1ccc(CN2CC[C@H](CN(C)c3nccc(C#N)c3[N+](=O)[O-])C2)s1 ZINC000603403753 506504649 /nfs/dbraw/zinc/50/46/49/506504649.db2.gz XZVOLXVWNKMTFP-CQSZACIVSA-N 0 3 371.466 3.190 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589788 506516529 /nfs/dbraw/zinc/51/65/29/506516529.db2.gz NUEBXQSIFCCMMG-WBVHZDCISA-N 0 3 371.481 3.187 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)C1 ZINC000596670228 506523659 /nfs/dbraw/zinc/52/36/59/506523659.db2.gz BPZBGMJNLYNZJX-NRFANRHFSA-N 0 3 362.477 3.017 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599625761 506536620 /nfs/dbraw/zinc/53/66/20/506536620.db2.gz OJBXKCQUDWFULQ-FSIPBHDLSA-N 0 3 361.511 3.421 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000583021272 506545718 /nfs/dbraw/zinc/54/57/18/506545718.db2.gz OHVLBZNZGAYZRU-DFGXFYAUSA-N 0 3 363.527 3.021 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1OCCc2ccccc21)C(C)C ZINC000603589062 506567511 /nfs/dbraw/zinc/56/75/11/506567511.db2.gz OXMCTQRUQHLMMA-RTWAWAEBSA-N 0 3 371.525 3.298 20 30 FGEDHN N#Cc1ccc(CN[C@H](CC(N)=O)C2CCCCC2)c(C(F)(F)F)c1 ZINC000589511363 506574198 /nfs/dbraw/zinc/57/41/98/506574198.db2.gz GZOKFEPDXMELGA-MRXNPFEDSA-N 0 3 353.388 3.491 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(CC)(CC)C(=O)OC(C)(C)C)CC1 ZINC000593453601 506626642 /nfs/dbraw/zinc/62/66/42/506626642.db2.gz ZWSPMAKTPYKMSU-UHFFFAOYSA-N 0 3 352.519 3.291 20 30 FGEDHN Cc1cc(NC(=O)NC[C@@H]2CCN2C2CCCC2)c(C#N)cc1N(C)C ZINC000599786605 506636684 /nfs/dbraw/zinc/63/66/84/506636684.db2.gz FODGCOHYAZEVOQ-KRWDZBQOSA-N 0 3 355.486 3.071 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC3(CC3)CC2)cc1 ZINC000599794405 506641728 /nfs/dbraw/zinc/64/17/28/506641728.db2.gz ZUKMSOSOBBCJRZ-CQSZACIVSA-N 0 3 361.467 3.170 20 30 FGEDHN Cn1ncc(C2CCC2)c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000596982712 506710334 /nfs/dbraw/zinc/71/03/34/506710334.db2.gz GQSPPKFHTZBOOX-UHFFFAOYSA-N 0 3 363.509 3.267 20 30 FGEDHN CC(C)Cn1nccc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593691599 506733861 /nfs/dbraw/zinc/73/38/61/506733861.db2.gz FNVQIMJATFYDJC-UHFFFAOYSA-N 0 3 351.498 3.165 20 30 FGEDHN CCOc1cccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000593693016 506734615 /nfs/dbraw/zinc/73/46/15/506734615.db2.gz LYDIXAOCNCQHQU-UHFFFAOYSA-N 0 3 350.466 3.106 20 30 FGEDHN Cn1nc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000593693427 506734688 /nfs/dbraw/zinc/73/46/88/506734688.db2.gz YVTZLMWWRPVHEZ-UHFFFAOYSA-N 0 3 359.477 3.199 20 30 FGEDHN CCN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000612837421 506773422 /nfs/dbraw/zinc/77/34/22/506773422.db2.gz RKNOBNUKMRMXNZ-OAQYLSRUSA-N 0 3 362.477 3.093 20 30 FGEDHN N#CC1(CC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCOCC1 ZINC000597114444 506783053 /nfs/dbraw/zinc/78/30/53/506783053.db2.gz GRYOLINFWCKTSE-IBGZPJMESA-N 0 3 355.482 3.040 20 30 FGEDHN N#CCn1c(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc2ccccc21 ZINC000609173881 506803662 /nfs/dbraw/zinc/80/36/62/506803662.db2.gz ZSCLLZGFLZUOOV-GOSISDBHSA-N 0 3 350.466 3.255 20 30 FGEDHN CN1C[C@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@H]2C1 ZINC000590443653 506823858 /nfs/dbraw/zinc/82/38/58/506823858.db2.gz KBXFURDVSCETNB-NQIIRXRSSA-N 0 3 361.445 3.321 20 30 FGEDHN CCC1(N2CCOCC2)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000600209654 506847718 /nfs/dbraw/zinc/84/77/18/506847718.db2.gz XXJROXJYZQGFQE-UHFFFAOYSA-N 0 3 353.510 3.319 20 30 FGEDHN N#Cc1cc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)ccc1F ZINC000590545552 506855250 /nfs/dbraw/zinc/85/52/50/506855250.db2.gz XGTRKJCDURMTQS-UHFFFAOYSA-N 0 3 360.392 3.208 20 30 FGEDHN COC(=O)[C@H](C)CN(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000604540943 506866756 /nfs/dbraw/zinc/86/67/56/506866756.db2.gz WEZBTPVWFYYROM-QGZVFWFLSA-N 0 3 352.434 3.248 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)o1 ZINC000593991719 506870567 /nfs/dbraw/zinc/87/05/67/506870567.db2.gz JTTLYGZXUXLZQE-MRXNPFEDSA-N 0 3 353.466 3.229 20 30 FGEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000594007461 506879271 /nfs/dbraw/zinc/87/92/71/506879271.db2.gz WYWLQYZNEISXFK-JBYIUTFZSA-N 0 3 361.489 3.374 20 30 FGEDHN CCN(CC(=O)NCc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432097 506880379 /nfs/dbraw/zinc/88/03/79/506880379.db2.gz CDLDWVPSVITBMV-KRWDZBQOSA-N 0 3 365.477 3.136 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597308648 506888990 /nfs/dbraw/zinc/88/89/90/506888990.db2.gz CHWLXNGLHVLDPT-MRXNPFEDSA-N 0 3 355.388 3.183 20 30 FGEDHN COc1ccccc1COC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032641 506896050 /nfs/dbraw/zinc/89/60/50/506896050.db2.gz KNNSKCXBUALYIH-FQEVSTJZSA-N 0 3 366.461 3.113 20 30 FGEDHN CC(C)C1CCC(N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)CC1 ZINC000597361381 506912998 /nfs/dbraw/zinc/91/29/98/506912998.db2.gz GENYPLSQEJGHQK-UHFFFAOYSA-N 0 3 361.530 3.056 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000597371695 506918319 /nfs/dbraw/zinc/91/83/19/506918319.db2.gz JUJMQDGLTMECPK-CZUORRHYSA-N 0 3 355.388 3.229 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000609638245 506957306 /nfs/dbraw/zinc/95/73/06/506957306.db2.gz ABEONJSXTVTQPR-GOSISDBHSA-N 0 3 364.449 3.353 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000600472126 506963107 /nfs/dbraw/zinc/96/31/07/506963107.db2.gz MXBCXTUIPOLCNJ-IBGZPJMESA-N 0 3 355.482 3.240 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744636 506987760 /nfs/dbraw/zinc/98/77/60/506987760.db2.gz NVSCWTYBMWRJBZ-FQEVSTJZSA-N 0 3 354.425 3.144 20 30 FGEDHN CCCC[C@@H](NC(=O)C(C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000609920696 507050366 /nfs/dbraw/zinc/05/03/66/507050366.db2.gz BFJCETDSWLKKKC-CRAIPNDOSA-N 0 3 356.470 3.060 20 30 FGEDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000613389723 507065206 /nfs/dbraw/zinc/06/52/06/507065206.db2.gz LQGSPZSHYKAFQF-NZYIBGOWSA-N 0 3 371.525 3.060 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H]3COC[C@@H]32)sc2c1CCCCC2 ZINC000590972380 507068135 /nfs/dbraw/zinc/06/81/35/507068135.db2.gz ODLQLBNACRHNKT-PBHICJAKSA-N 0 3 373.522 3.328 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1C#N ZINC000597715588 507071436 /nfs/dbraw/zinc/07/14/36/507071436.db2.gz NJGYTWKNXZBQIS-FQEVSTJZSA-N 0 3 370.522 3.110 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCSc2ccc(F)cc21 ZINC000600715578 507078002 /nfs/dbraw/zinc/07/80/02/507078002.db2.gz ACIRYTJYDSSJCN-WBVHZDCISA-N 0 3 358.438 3.264 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCSc2c(F)cccc21 ZINC000600716997 507079856 /nfs/dbraw/zinc/07/98/56/507079856.db2.gz IESPLLUYETYSGB-PBHICJAKSA-N 0 3 358.438 3.264 20 30 FGEDHN CC(C)(C)c1ccc(C#N)c(N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000613427655 507080961 /nfs/dbraw/zinc/08/09/61/507080961.db2.gz KQWBOBPCWAVXJV-SFHVURJKSA-N 0 3 356.514 3.332 20 30 FGEDHN C[C@@H](CNC[C@@H](O)COc1ccccc1C#N)Oc1cccc(Cl)c1 ZINC000600723345 507083969 /nfs/dbraw/zinc/08/39/69/507083969.db2.gz KVKPQPAEVWFZQE-WMLDXEAASA-N 0 3 360.841 3.008 20 30 FGEDHN Cc1ccc(CNC[C@@H](O)CC2(C#N)CCOCC2)c(OC(C)(C)C)c1 ZINC000600731875 507088727 /nfs/dbraw/zinc/08/87/27/507088727.db2.gz WHKMFJLFQQYMMU-SFHVURJKSA-N 0 3 360.498 3.333 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCCOc3c(Cl)cccc32)CCOCC1 ZINC000600731538 507089126 /nfs/dbraw/zinc/08/91/26/507089126.db2.gz MJGZGXJGVGVWNW-WMLDXEAASA-N 0 3 364.873 3.215 20 30 FGEDHN C[C@H](CC#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000597763769 507089540 /nfs/dbraw/zinc/08/95/40/507089540.db2.gz IRXJEPLZZWOARH-TYCQWZJGSA-N 0 3 365.452 3.460 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@H]2CCCc3sc(Cl)cc32)CCOCC1 ZINC000600739936 507093736 /nfs/dbraw/zinc/09/37/36/507093736.db2.gz RRARSQASUJZMFV-OCCSQVGLSA-N 0 3 354.903 3.440 20 30 FGEDHN CC[C@@H](CCc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000600755576 507103013 /nfs/dbraw/zinc/10/30/13/507103013.db2.gz GCKHUFBJPJBIEG-IBGZPJMESA-N 0 3 356.491 3.333 20 30 FGEDHN CCC(C)(C)N1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 ZINC000594390328 507108999 /nfs/dbraw/zinc/10/89/99/507108999.db2.gz VANOOHYSGJHPQO-UHFFFAOYSA-N 0 3 373.497 3.059 20 30 FGEDHN COc1ccc2c(c1)CCCN(CCOc1ccc(C#N)cc1OC)C2 ZINC000610133104 507111990 /nfs/dbraw/zinc/11/19/90/507111990.db2.gz OQGWIDJTFFHMNS-UHFFFAOYSA-N 0 3 352.434 3.403 20 30 FGEDHN CCOC(=O)c1cc2cc(NC(=O)[C@H](N)CCCCC#N)ccc2s1 ZINC000594427194 507127124 /nfs/dbraw/zinc/12/71/24/507127124.db2.gz GSCMEUPWYQSOEV-CQSZACIVSA-N 0 3 359.451 3.428 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000594426958 507127568 /nfs/dbraw/zinc/12/75/68/507127568.db2.gz GTGLYLDJQOSAAT-GOSISDBHSA-N 0 3 368.412 3.428 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000594429839 507128538 /nfs/dbraw/zinc/12/85/38/507128538.db2.gz XCDZGFAHIFWTHS-NHCYSSNCSA-N 0 3 373.341 3.423 20 30 FGEDHN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594430186 507129056 /nfs/dbraw/zinc/12/90/56/507129056.db2.gz ZZNSUMKQIBSYMC-NUJGCVRESA-N 0 3 370.497 3.154 20 30 FGEDHN C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594431024 507129298 /nfs/dbraw/zinc/12/92/98/507129298.db2.gz GAQFKZMMYRQENW-BBRMVZONSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000594434148 507131330 /nfs/dbraw/zinc/13/13/30/507131330.db2.gz WVPFZUMGJMZEBF-JKSUJKDBSA-N 0 3 369.387 3.017 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000594432949 507131780 /nfs/dbraw/zinc/13/17/80/507131780.db2.gz HOTUVQRDEFCSHE-HNNXBMFYSA-N 0 3 364.287 3.008 20 30 FGEDHN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594437105 507133449 /nfs/dbraw/zinc/13/34/49/507133449.db2.gz IATVBAXOWNUHEL-MAUKXSAKSA-N 0 3 353.470 3.131 20 30 FGEDHN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](N)CCCCC#N ZINC000594445677 507136375 /nfs/dbraw/zinc/13/63/75/507136375.db2.gz JWWJEIZFDKFJCV-IAQYHMDHSA-N 0 3 370.266 3.047 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000594453930 507140355 /nfs/dbraw/zinc/14/03/55/507140355.db2.gz PIJKCVNQVSAWAT-OAHLLOKOSA-N 0 3 369.296 3.053 20 30 FGEDHN CC[C@@H](c1nnc(NC(=O)[C@H](N)CCCCC#N)s1)c1ccccc1 ZINC000594469350 507146137 /nfs/dbraw/zinc/14/61/37/507146137.db2.gz VHJMANGKENRGBZ-HUUCEWRRSA-N 0 3 357.483 3.430 20 30 FGEDHN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000594472572 507148122 /nfs/dbraw/zinc/14/81/22/507148122.db2.gz HBQMSKLRUUDBMP-UHFFFAOYSA-N 0 3 364.497 3.313 20 30 FGEDHN CC(C)OCCN1CCC(Nc2cccc(-n3cccn3)c2C#N)CC1 ZINC000594552909 507182540 /nfs/dbraw/zinc/18/25/40/507182540.db2.gz NCEREBBOTGVJEV-UHFFFAOYSA-N 0 3 353.470 3.045 20 30 FGEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310808 507195055 /nfs/dbraw/zinc/19/50/55/507195055.db2.gz MYLIVHCGJBHOKY-ICSRJNTNSA-N 0 3 361.449 3.031 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000610323859 507195206 /nfs/dbraw/zinc/19/52/06/507195206.db2.gz KJNNQJNIOZJOKF-GOSISDBHSA-N 0 3 352.413 3.436 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000591350834 507216561 /nfs/dbraw/zinc/21/65/61/507216561.db2.gz HZYWHDHLXRSBNN-IBGZPJMESA-N 0 3 354.429 3.320 20 30 FGEDHN C[C@H]1CN(CCCCNc2cccc(-n3cccn3)c2C#N)C[C@H](C)O1 ZINC000584241948 507233812 /nfs/dbraw/zinc/23/38/12/507233812.db2.gz ALTVRWSAYWMZSB-IRXDYDNUSA-N 0 3 353.470 3.045 20 30 FGEDHN C[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000601108868 507262833 /nfs/dbraw/zinc/26/28/33/507262833.db2.gz NSVPYZNCXZVMBB-GOSISDBHSA-N 0 3 365.477 3.120 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000610585064 507307844 /nfs/dbraw/zinc/30/78/44/507307844.db2.gz SEGJBIUGLKUABC-SFHVURJKSA-N 0 3 352.413 3.436 20 30 FGEDHN CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)NCc1cccs1 ZINC000594952133 507329199 /nfs/dbraw/zinc/32/91/99/507329199.db2.gz WHFAXIBNGCEHRH-SFHVURJKSA-N 0 3 353.491 3.488 20 30 FGEDHN CSC1c2cc(-c3noc(C4(C#N)CC5(CC5)C4)n3)ccc2NC1=O ZINC000601362920 507344191 /nfs/dbraw/zinc/34/41/91/507344191.db2.gz YBYWHNQCBZFQDE-ZDUSSCGKSA-N 0 3 352.419 3.428 20 30 FGEDHN COc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)ccc1C#N ZINC000594993121 507345041 /nfs/dbraw/zinc/34/50/41/507345041.db2.gz CARQJXRLQQJISG-WOJBJXKFSA-N 0 3 363.461 3.398 20 30 FGEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000591759608 507351228 /nfs/dbraw/zinc/35/12/28/507351228.db2.gz PQTAMYSKCPOKCT-JTSKRJEESA-N 0 3 362.477 3.082 20 30 FGEDHN CN(C)C[C@H](CNC(=O)c1ccccc1CC#N)c1ccc(Cl)cc1 ZINC000601573405 507392139 /nfs/dbraw/zinc/39/21/39/507392139.db2.gz AXZYFLSNRWHJRI-KRWDZBQOSA-N 0 3 355.869 3.481 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCN1C[C@H]2CCCCN2C1=O ZINC000595102147 507392668 /nfs/dbraw/zinc/39/26/68/507392668.db2.gz KLKSJIJXIKGCQB-UYAOXDASSA-N 0 3 352.482 3.205 20 30 FGEDHN COc1ccc2ncc(C#N)c(NC[C@H](c3cccs3)N(C)C)c2c1 ZINC000591890756 507398700 /nfs/dbraw/zinc/39/87/00/507398700.db2.gz GVEDECVBILZVAK-QGZVFWFLSA-N 0 3 352.463 3.313 20 30 FGEDHN CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](N)CCCCC#N ZINC000595258236 507442140 /nfs/dbraw/zinc/44/21/40/507442140.db2.gz AMAFUERGEBYDBW-HZPDHXFCSA-N 0 3 366.303 3.298 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297061 507452877 /nfs/dbraw/zinc/45/28/77/507452877.db2.gz PEHAVALPGCJNSV-FQEVSTJZSA-N 0 3 371.525 3.291 20 30 FGEDHN Cc1cccc(C2(NC[C@H](O)COc3ccc(CC#N)cc3)CCC2)c1 ZINC000592146063 507509335 /nfs/dbraw/zinc/50/93/35/507509335.db2.gz MQWPVZRKKYTFMX-FQEVSTJZSA-N 0 3 350.462 3.470 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000598594845 507510635 /nfs/dbraw/zinc/51/06/35/507510635.db2.gz FBMVIBRNQLMRAG-RDJZCZTQSA-N 0 3 372.444 3.356 20 30 FGEDHN N#Cc1ccc(CCN[C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000595465300 507511799 /nfs/dbraw/zinc/51/17/99/507511799.db2.gz BTWNKEOJJQMGDE-MRXNPFEDSA-N 0 3 350.340 3.323 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000598597329 507512657 /nfs/dbraw/zinc/51/26/57/507512657.db2.gz ZNJWVHWGTTUDON-NVXWUHKLSA-N 0 3 372.444 3.356 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccsc2C(F)(F)F)cc1 ZINC000601970097 507533900 /nfs/dbraw/zinc/53/39/00/507533900.db2.gz XQQPHYVPVLCJSY-AWEZNQCLSA-N 0 3 370.396 3.362 20 30 FGEDHN CCC[C@H]1CN(c2c(C#N)cnc3c(F)ccc(F)c32)CCN1CCOC ZINC000611227943 507571367 /nfs/dbraw/zinc/57/13/67/507571367.db2.gz FMUVGLQKADJWGJ-HNNXBMFYSA-N 0 3 374.435 3.322 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnc[nH]1 ZINC000595597801 507583527 /nfs/dbraw/zinc/58/35/27/507583527.db2.gz WNPIHKMDIMYAAE-UHFFFAOYSA-N 0 3 357.483 3.072 20 30 FGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000595605062 507586623 /nfs/dbraw/zinc/58/66/23/507586623.db2.gz UMRZOKJIXRAGLR-CZUORRHYSA-N 0 3 355.438 3.347 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)CN1C ZINC000611259416 507588487 /nfs/dbraw/zinc/58/84/87/507588487.db2.gz XSNOPJKVQFAWDH-GJZGRUSLSA-N 0 3 374.554 3.242 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000592301854 507601918 /nfs/dbraw/zinc/60/19/18/507601918.db2.gz BBFHXLJESCZWPT-HXUWFJFHSA-N 0 3 357.498 3.200 20 30 FGEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c(Cl)c1 ZINC000598818150 507618872 /nfs/dbraw/zinc/61/88/72/507618872.db2.gz HUCUIUXHZMTDQX-MNOVXSKESA-N 0 3 362.735 3.134 20 30 FGEDHN N#Cc1ccc(N2CCC(N[C@H](CCO)c3ccccc3F)CC2)cc1 ZINC000592376504 507626840 /nfs/dbraw/zinc/62/68/40/507626840.db2.gz USDIUFLLGKYBQT-OAQYLSRUSA-N 0 3 353.441 3.379 20 30 FGEDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000611389096 507656737 /nfs/dbraw/zinc/65/67/37/507656737.db2.gz WWSUBLIEYQBOTE-CQSZACIVSA-N 0 3 352.394 3.454 20 30 FGEDHN COC(=O)C(C)(C)[C@@H](NCCOc1ccccc1C#N)c1ccccc1 ZINC000611405538 507666360 /nfs/dbraw/zinc/66/63/60/507666360.db2.gz NHOTVEYZDBTTJU-IBGZPJMESA-N 0 3 352.434 3.467 20 30 FGEDHN N#Cc1cccc(C2(NCCOc3ccc([N+](=O)[O-])cc3)CCOCC2)c1 ZINC000595775758 507679106 /nfs/dbraw/zinc/67/91/06/507679106.db2.gz XVSMHBSUPKIELX-UHFFFAOYSA-N 0 3 367.405 3.141 20 30 FGEDHN Cc1oc(NC(=O)CN[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C#N)c1C ZINC000595777785 507680472 /nfs/dbraw/zinc/68/04/72/507680472.db2.gz JYUPUIBURNHIJB-HZPDHXFCSA-N 0 3 359.470 3.423 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000592504840 507683868 /nfs/dbraw/zinc/68/38/68/507683868.db2.gz AFKGLXGMJDONBX-PXAZEXFGSA-N 0 3 355.829 3.120 20 30 FGEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000614883561 507684501 /nfs/dbraw/zinc/68/45/01/507684501.db2.gz GMBYPWIAUMVKEM-RTWAWAEBSA-N 0 3 373.541 3.075 20 30 FGEDHN CC1(C)[C@H](NCc2cnc3c(C#N)cnn3c2)C[C@H]1OCc1ccccc1 ZINC000592507910 507686274 /nfs/dbraw/zinc/68/62/74/507686274.db2.gz HIELNTSWKFEZCD-RTBURBONSA-N 0 3 361.449 3.074 20 30 FGEDHN CCN(CCOc1ccccc1OC)CCC(=O)Nc1ccccc1C#N ZINC000595885475 507729385 /nfs/dbraw/zinc/72/93/85/507729385.db2.gz KATSQXVOHREHJA-UHFFFAOYSA-N 0 3 367.449 3.296 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000602509154 507731308 /nfs/dbraw/zinc/73/13/08/507731308.db2.gz CBCIIMJGSWOUTN-ZDUSSCGKSA-N 0 3 350.846 3.300 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccnc(OCC(F)(F)F)c1 ZINC000602511279 507731419 /nfs/dbraw/zinc/73/14/19/507731419.db2.gz OYBPLHQXBQRPHD-ZDUSSCGKSA-N 0 3 357.376 3.211 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000602523284 507737281 /nfs/dbraw/zinc/73/72/81/507737281.db2.gz AECJOMADTIEKPT-MRXNPFEDSA-N 0 3 364.287 3.209 20 30 FGEDHN COc1ccc(C)cc1C1(CNCc2cccc(C#N)n2)CCOCC1 ZINC000602522796 507737335 /nfs/dbraw/zinc/73/73/35/507737335.db2.gz XAUZYHXTNFBLCL-UHFFFAOYSA-N 0 3 351.450 3.108 20 30 FGEDHN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000602557713 507747252 /nfs/dbraw/zinc/74/72/52/507747252.db2.gz ZTVQMJUSACUJLZ-JKSUJKDBSA-N 0 3 364.287 3.442 20 30 FGEDHN Cn1ncc2c1CC(C)(C)CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000596010082 507758493 /nfs/dbraw/zinc/75/84/93/507758493.db2.gz XAYVCNDCZOXNRK-QGZVFWFLSA-N 0 3 350.466 3.104 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000636743258 568001338 /nfs/dbraw/zinc/00/13/38/568001338.db2.gz ZROCAHWLMWWWLS-AQNXPRMDSA-N 0 3 363.546 3.142 20 30 FGEDHN CC[NH+](CC)Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737088874 600594725 /nfs/dbraw/zinc/59/47/25/600594725.db2.gz TXKOOQUFWNIVAP-HXUWFJFHSA-N 0 3 351.450 3.316 20 30 FGEDHN C=CCCC[C@@H](C)[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823894556 608384028 /nfs/dbraw/zinc/38/40/28/608384028.db2.gz SWZVIOJYRUTAAC-QGZVFWFLSA-N 0 3 354.502 3.119 20 30 FGEDHN C=CCCC[C@@H](C)[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823894556 608384030 /nfs/dbraw/zinc/38/40/30/608384030.db2.gz SWZVIOJYRUTAAC-QGZVFWFLSA-N 0 3 354.502 3.119 20 30 FGEDHN C=CCCC[C@@H](C)[N@@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823894556 608384032 /nfs/dbraw/zinc/38/40/32/608384032.db2.gz SWZVIOJYRUTAAC-QGZVFWFLSA-N 0 3 354.502 3.119 20 30 FGEDHN C=CCCC[C@@H](C)[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823894556 608384034 /nfs/dbraw/zinc/38/40/34/608384034.db2.gz SWZVIOJYRUTAAC-QGZVFWFLSA-N 0 3 354.502 3.119 20 30 FGEDHN N#CC(C(=O)C1CCN(CC(F)(F)F)CC1)c1nc2ccccc2[nH]1 ZINC000048813808 695889871 /nfs/dbraw/zinc/88/98/71/695889871.db2.gz KJRUXFBYDGUIRL-GFCCVEGCSA-N 0 3 350.344 3.013 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000077525320 700254635 /nfs/dbraw/zinc/25/46/35/700254635.db2.gz WPPPODQPCAYFLI-UHFFFAOYSA-N 0 3 365.861 3.289 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc3c(s2)CCOC3)cc1 ZINC000103330119 700483384 /nfs/dbraw/zinc/48/33/84/700483384.db2.gz CQDDWBJZQLTOFA-HNNXBMFYSA-N 0 3 354.431 3.344 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000116655658 700595831 /nfs/dbraw/zinc/59/58/31/700595831.db2.gz ZZTXLEZHSWKEPX-IBGZPJMESA-N 0 3 352.503 3.493 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123853221 700710782 /nfs/dbraw/zinc/71/07/82/700710782.db2.gz YJYXBMBCXNGQFQ-ZDUSSCGKSA-N 0 3 353.765 3.181 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000130101493 700796259 /nfs/dbraw/zinc/79/62/59/700796259.db2.gz RJNFWQSIWUYTII-LBPRGKRZSA-N 0 3 361.716 3.348 20 30 FGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000130195735 700797752 /nfs/dbraw/zinc/79/77/52/700797752.db2.gz VQRBLOPMTQTZNB-LBPRGKRZSA-N 0 3 361.716 3.348 20 30 FGEDHN C=C(Br)CNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159713200 705231484 /nfs/dbraw/zinc/23/14/84/705231484.db2.gz VAHSKZUQHXBNKE-INIZCTEOSA-N 0 3 366.303 3.201 20 30 FGEDHN N#CC(C(=O)CSCc1cscn1)C(=O)Nc1ccc(Cl)cc1 ZINC000178759521 705674981 /nfs/dbraw/zinc/67/49/81/705674981.db2.gz BKOOWOCAKPQVKW-ZDUSSCGKSA-N 0 3 365.867 3.377 20 30 FGEDHN N#Cc1ccc(CN[C@H](CC(N)=O)C2CCCCC2)c(Br)c1 ZINC000182116009 705826569 /nfs/dbraw/zinc/82/65/69/705826569.db2.gz FMTHJKGWHPHDDO-MRXNPFEDSA-N 0 3 364.287 3.235 20 30 FGEDHN CN1C[C@H](NC(=O)c2cccc(SCC#N)c2)[C@H](c2ccccc2)C1 ZINC000374299110 713911918 /nfs/dbraw/zinc/91/19/18/713911918.db2.gz XEWKPDKEWBMTOT-OALUTQOASA-N 0 3 351.475 3.130 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000448922969 714038929 /nfs/dbraw/zinc/03/89/29/714038929.db2.gz SJPSCXDKTQGFPN-UHFFFAOYSA-N 0 3 351.288 3.446 20 30 FGEDHN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000616012425 714563779 /nfs/dbraw/zinc/56/37/79/714563779.db2.gz ZLACODYZKOXVQE-UHFFFAOYSA-N 0 3 351.288 3.474 20 30 FGEDHN C[C@@H](NC(=O)C(C#N)C(=O)COC(F)F)c1ccc(Cl)cc1Cl ZINC000802800852 724408047 /nfs/dbraw/zinc/40/80/47/724408047.db2.gz VXVOYEVRRGLAIN-GMSGAONNSA-N 0 3 365.163 3.119 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000650376200 718667792 /nfs/dbraw/zinc/66/77/92/718667792.db2.gz HVMSOFFINHSDPM-UHFFFAOYSA-N 0 3 353.850 3.129 20 30 FGEDHN C=CCOc1ccc(CNCC2(S(C)(=O)=O)CCCCC2)cc1OC ZINC000657653070 719689912 /nfs/dbraw/zinc/68/99/12/719689912.db2.gz IDFYRDLCTDRFDO-UHFFFAOYSA-N 0 3 367.511 3.097 20 30 FGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnn2C2CCOCC2)s1 ZINC000659114984 719859835 /nfs/dbraw/zinc/85/98/35/719859835.db2.gz KUZBZAOPFTZGOC-ZDUSSCGKSA-N 0 3 358.467 3.479 20 30 FGEDHN N#CC(C(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccncn1 ZINC000659115050 719859979 /nfs/dbraw/zinc/85/99/79/719859979.db2.gz OCIFBRQPNLOOHO-OAHLLOKOSA-N 0 3 371.238 3.329 20 30 FGEDHN N#CC1(c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2)CCC1 ZINC001164722928 720382030 /nfs/dbraw/zinc/38/20/30/720382030.db2.gz DTDDOWKMAKCWMU-VQTJNVASSA-N 0 3 359.477 3.275 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000668045164 721225893 /nfs/dbraw/zinc/22/58/93/721225893.db2.gz JIRFWXOPIGVANB-UHFFFAOYSA-N 0 3 374.229 3.499 20 30 FGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCc2ccsc2)cc1 ZINC000783358687 724748953 /nfs/dbraw/zinc/74/89/53/724748953.db2.gz RBBBQKICNGSQSY-QGZVFWFLSA-N 0 3 356.447 3.105 20 30 FGEDHN N#Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899289 721507577 /nfs/dbraw/zinc/50/75/77/721507577.db2.gz KTDBLMZXNXDJGP-WBVHZDCISA-N 0 3 372.831 3.088 20 30 FGEDHN C=CCOC[C@H]1CCC[C@]12CN(c1ccc(CN(C)C3CC3)cn1)CCO2 ZINC001164981014 722169502 /nfs/dbraw/zinc/16/95/02/722169502.db2.gz ZWEUQWLILLEGJJ-KNQAVFIVSA-N 0 3 371.525 3.254 20 30 FGEDHN C[C@@H](NC(=O)c1cccs1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416380 722468196 /nfs/dbraw/zinc/46/81/96/722468196.db2.gz CPJVAJSTWPOMBP-MWLCHTKSSA-N 0 3 373.434 3.492 20 30 FGEDHN C#CCCNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000733645968 722499909 /nfs/dbraw/zinc/49/99/09/722499909.db2.gz SAKYBMHWZWDTCT-MRXNPFEDSA-N 0 3 355.404 3.411 20 30 FGEDHN C=C(Br)COC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000749283622 722723142 /nfs/dbraw/zinc/72/31/42/722723142.db2.gz MUEDRLLXPUABIZ-UHFFFAOYSA-N 0 3 367.287 3.282 20 30 FGEDHN COc1cccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000752160519 722846762 /nfs/dbraw/zinc/84/67/62/722846762.db2.gz KICQLWLQWXNHDU-JTQLQIEISA-N 0 3 364.188 3.358 20 30 FGEDHN C=C(C)CN1CCC(N2C(=O)N[C@H](c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000761250301 723137096 /nfs/dbraw/zinc/13/70/96/723137096.db2.gz NDPWDDPDGZBAAM-MRXNPFEDSA-N 0 3 365.836 3.113 20 30 FGEDHN c1csc(-c2ncc(CN=Nc3ccc(-n4ccnc4)nn3)s2)c1 ZINC000761857482 723191031 /nfs/dbraw/zinc/19/10/31/723191031.db2.gz JQRJZFINFVQIII-UHFFFAOYSA-N 0 3 353.436 3.293 20 30 FGEDHN N#Cc1ccc([C@H](O)CNCc2ccccc2OCC(F)(F)F)cc1 ZINC000763236667 723324858 /nfs/dbraw/zinc/32/48/58/723324858.db2.gz SAXKOLYWZFXSDO-MRXNPFEDSA-N 0 3 350.340 3.323 20 30 FGEDHN COc1ncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000793125365 723402202 /nfs/dbraw/zinc/40/22/02/723402202.db2.gz OZRHOCXPTNUSRW-JTQLQIEISA-N 0 3 364.188 3.358 20 30 FGEDHN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000793127816 723402779 /nfs/dbraw/zinc/40/27/79/723402779.db2.gz YGWSFVTXIBPEHS-WFASDCNBSA-N 0 3 352.356 3.262 20 30 FGEDHN Cc1cc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c(C)c(C)c1C#N ZINC000796193558 723625561 /nfs/dbraw/zinc/62/55/61/723625561.db2.gz CUZSXKNVFCSIII-UHFFFAOYSA-N 0 3 358.463 3.313 20 30 FGEDHN COC[C@@H]1CCCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000767940170 723640708 /nfs/dbraw/zinc/64/07/08/723640708.db2.gz HGTZGNMBQGWNPQ-HUUCEWRRSA-N 0 3 357.479 3.221 20 30 FGEDHN COC[C@H]1CCCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000767940169 723640738 /nfs/dbraw/zinc/64/07/38/723640738.db2.gz HGTZGNMBQGWNPQ-GJZGRUSLSA-N 0 3 357.479 3.221 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)[C@@H]1OCCc2sccc21 ZINC000796746295 723653107 /nfs/dbraw/zinc/65/31/07/723653107.db2.gz JSOIVIUAFIYNTQ-DWQUBVKVSA-N 0 3 360.479 3.156 20 30 FGEDHN N#CC(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1 ZINC000796785359 723654821 /nfs/dbraw/zinc/65/48/21/723654821.db2.gz XXIWRYFOCOYDIX-HNNXBMFYSA-N 0 3 362.838 3.165 20 30 FGEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000775575771 724002423 /nfs/dbraw/zinc/00/24/23/724002423.db2.gz YSJWIIJASPTYCN-DUVNUKRYSA-N 0 3 354.372 3.193 20 30 FGEDHN CC(C)Oc1ccc(NC(=S)NN=Cc2cnccc2N(C)C)cc1 ZINC000776179977 724116146 /nfs/dbraw/zinc/11/61/46/724116146.db2.gz HUDIRPVVRVITME-UHFFFAOYSA-N 0 3 357.483 3.255 20 30 FGEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531027 724986876 /nfs/dbraw/zinc/98/68/76/724986876.db2.gz MQOMPISLHXRZMD-RPVQJOFSSA-N 0 3 362.857 3.260 20 30 FGEDHN C=CCOCC(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000787054975 725015128 /nfs/dbraw/zinc/01/51/28/725015128.db2.gz YMRBJFVYGAWAFZ-ZWNOBZJWSA-N 0 3 355.221 3.082 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)Oc2cc(Cl)cc(C#N)c2)cc1 ZINC000808320037 725194141 /nfs/dbraw/zinc/19/41/41/725194141.db2.gz NFVCNZRMIQKSHZ-UHFFFAOYSA-N 0 3 350.827 3.041 20 30 FGEDHN C#CCN(C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000812013835 725387394 /nfs/dbraw/zinc/38/73/94/725387394.db2.gz CIWJDBIJYPFQSG-MRXNPFEDSA-N 0 3 355.404 3.363 20 30 FGEDHN COc1ccccc1OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214050 726851061 /nfs/dbraw/zinc/85/10/61/726851061.db2.gz OLTQUXLREIYPRY-GFCCVEGCSA-N 0 3 350.296 3.364 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000818595675 727315899 /nfs/dbraw/zinc/31/58/99/727315899.db2.gz IZDFGRMDTSCCGC-UHFFFAOYSA-N 0 3 363.433 3.433 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000818603250 727316356 /nfs/dbraw/zinc/31/63/56/727316356.db2.gz VTYYBZNUAFJZCX-UHFFFAOYSA-N 0 3 363.255 3.189 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(Br)cc2ccccc21 ZINC000818615380 727317044 /nfs/dbraw/zinc/31/70/44/727317044.db2.gz LTGAAUSPAQFWPE-UHFFFAOYSA-N 0 3 359.267 3.287 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@H](c2nccn2C)C1 ZINC000825325529 729378914 /nfs/dbraw/zinc/37/89/14/729378914.db2.gz DRAYEEMAZUCMBO-KSSFIOAISA-N 0 3 359.857 3.095 20 30 FGEDHN C#CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000827115187 729424614 /nfs/dbraw/zinc/42/46/14/729424614.db2.gz YGGKIRVTPXOVHC-APWZRJJASA-N 0 3 359.539 3.456 20 30 FGEDHN C#C[C@@H](NCc1ccc(OCC(F)(F)F)c(OC)c1)C1CCOCC1 ZINC000827569881 729431913 /nfs/dbraw/zinc/43/19/13/729431913.db2.gz HNXAQIIMUIFCGU-OAHLLOKOSA-N 0 3 357.372 3.154 20 30 FGEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c(Br)c1 ZINC000835071524 729856406 /nfs/dbraw/zinc/85/64/06/729856406.db2.gz PYLSUPKITAQFOQ-AWEZNQCLSA-N 0 3 363.255 3.068 20 30 FGEDHN C[C@H]1NCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@H]1C ZINC000841831249 730279840 /nfs/dbraw/zinc/27/98/40/730279840.db2.gz RQLZSZWNEXJJOX-KGLIPLIRSA-N 0 3 354.479 3.179 20 30 FGEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000842343750 730487620 /nfs/dbraw/zinc/48/76/20/730487620.db2.gz SSQXFCFLIJLBLW-DLBZAZTESA-N 0 3 362.857 3.403 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cn2c(n1)CCC2 ZINC000842685573 730531208 /nfs/dbraw/zinc/53/12/08/730531208.db2.gz VQQXAUTWGITGAD-SNVBAGLBSA-N 0 3 363.204 3.097 20 30 FGEDHN CN(CCC(=O)Nc1ccccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369990 730708590 /nfs/dbraw/zinc/70/85/90/730708590.db2.gz PEPYSJMKSYXOLH-GOSISDBHSA-N 0 3 357.841 3.206 20 30 FGEDHN CN(Cc1ccc(OC(F)F)c(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006462 730917810 /nfs/dbraw/zinc/91/78/10/730917810.db2.gz ISVOEWWKRSVDRI-INIZCTEOSA-N 0 3 350.340 3.464 20 30 FGEDHN Cc1ncsc1C(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847749696 731087161 /nfs/dbraw/zinc/08/71/61/731087161.db2.gz YVINGXKHKUWXRY-UHFFFAOYSA-N 0 3 355.463 3.414 20 30 FGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852731474 731626831 /nfs/dbraw/zinc/62/68/31/731626831.db2.gz JURGQPKIWKCBCN-RTBURBONSA-N 0 3 352.906 3.412 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000876590680 736117865 /nfs/dbraw/zinc/11/78/65/736117865.db2.gz ZCKWCHPBQMTVEB-IBGZPJMESA-N 0 3 358.869 3.490 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000876645074 736126004 /nfs/dbraw/zinc/12/60/04/736126004.db2.gz KOFGPQRCPTVQPG-HUUCEWRRSA-N 0 3 360.845 3.260 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000876691067 736132213 /nfs/dbraw/zinc/13/22/13/736132213.db2.gz ZJMBCFRUJXNCQZ-KBPBESRZSA-N 0 3 362.779 3.075 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000876896832 736159573 /nfs/dbraw/zinc/15/95/73/736159573.db2.gz BNLZWGAUAKPFNC-LBPRGKRZSA-N 0 3 367.660 3.427 20 30 FGEDHN C=C(Cl)C[C@@H](NC1CCN(CCC(F)(F)F)CC1)C(=O)OCC ZINC000877671975 736702405 /nfs/dbraw/zinc/70/24/05/736702405.db2.gz SXHRNWQBJXLIHF-CYBMUJFWSA-N 0 3 356.816 3.067 20 30 FGEDHN N#Cc1ccc(C2(NC[C@H](O)c3cc(Br)no3)CCC2)cc1 ZINC000878846523 736925255 /nfs/dbraw/zinc/92/52/55/736925255.db2.gz LAAPCAYPJIHJAG-ZDUSSCGKSA-N 0 3 362.227 3.011 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)Nc1cccc(CC#N)n1)c1ccsc1 ZINC000881155476 737295535 /nfs/dbraw/zinc/29/55/35/737295535.db2.gz YIVKUVLNBGCIFZ-INIZCTEOSA-N 0 3 357.483 3.414 20 30 FGEDHN O[C@H](CNCc1c[nH]nc1-c1c(F)cccc1F)C(F)(F)C(F)(F)F ZINC000883367070 737559134 /nfs/dbraw/zinc/55/91/34/737559134.db2.gz HGCBYFVEKBWZST-SNVBAGLBSA-N 0 3 371.256 3.003 20 30 FGEDHN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884054231 737628661 /nfs/dbraw/zinc/62/86/61/737628661.db2.gz WAKYSPGSXWFMKJ-JZLYGMAVSA-N 0 3 352.265 3.091 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NCC1(c3ccc(Cl)cc3)CCC1)C2 ZINC000884121730 737635417 /nfs/dbraw/zinc/63/54/17/737635417.db2.gz WVUZZRJFJVENPO-FXUPRZHBSA-N 0 3 357.885 3.017 20 30 FGEDHN COC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000886111769 739219712 /nfs/dbraw/zinc/21/97/12/739219712.db2.gz IHNSERRICSOYMP-JKSUJKDBSA-N 0 3 356.388 3.427 20 30 FGEDHN C#CCN(C(=O)/C(C)=C\c1ccc(Br)o1)C1CCN(C)CC1 ZINC000886572364 739271063 /nfs/dbraw/zinc/27/10/63/739271063.db2.gz JEBPQNFKDOUXLF-SEYXRHQNSA-N 0 3 365.271 3.001 20 30 FGEDHN C#CCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CCN(C)CC1 ZINC000886575876 739271835 /nfs/dbraw/zinc/27/18/35/739271835.db2.gz NOHWULZUFHEADN-AWEZNQCLSA-N 0 3 352.400 3.365 20 30 FGEDHN C#CCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)C1CCN(C)CC1 ZINC000886581023 739271890 /nfs/dbraw/zinc/27/18/90/739271890.db2.gz HAQTUACHVRUQIF-CQSZACIVSA-N 0 3 352.400 3.365 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@]2(C#N)CCCOC2)cc1C(F)(F)F ZINC000894983241 742360098 /nfs/dbraw/zinc/36/00/98/742360098.db2.gz CATRCACLQOSWPU-INIZCTEOSA-N 0 3 355.360 3.026 20 30 FGEDHN C=CCOc1ccc(CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1 ZINC000898398545 742789180 /nfs/dbraw/zinc/78/91/80/742789180.db2.gz GXOHDCMMNJJUCH-RUZDIDTESA-N 0 3 365.543 3.038 20 30 FGEDHN C=CCC[C@H](NC[C@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000903224485 743825250 /nfs/dbraw/zinc/82/52/50/743825250.db2.gz WSLNCSORORXJNJ-DLBZAZTESA-N 0 3 357.903 3.141 20 30 FGEDHN C#CCN(C(=O)c1cc(Cl)c(Cl)cc1OC)C1CCN(C)CC1 ZINC000906452239 744133574 /nfs/dbraw/zinc/13/35/74/744133574.db2.gz NNUPAEQTGOKCFJ-UHFFFAOYSA-N 0 3 355.265 3.172 20 30 FGEDHN C=C(CCN(C)C)C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC000908398311 744286409 /nfs/dbraw/zinc/28/64/09/744286409.db2.gz ZZSODZGGZAWBRD-UHFFFAOYSA-N 0 3 364.511 3.158 20 30 FGEDHN CCCN1CCN(c2ccccc2CN=Nc2cncc(Cl)n2)CC1 ZINC000915959147 758011794 /nfs/dbraw/zinc/01/17/94/758011794.db2.gz KSTBICCREXVLGE-UHFFFAOYSA-N 0 3 358.877 3.108 20 30 FGEDHN C#CCN(C(=O)NCC1CCC(C(F)(F)F)CC1)C1CCN(C)CC1 ZINC000921127534 758652027 /nfs/dbraw/zinc/65/20/27/758652027.db2.gz XSFWUZROFLKJDD-UHFFFAOYSA-N 0 3 359.436 3.094 20 30 FGEDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccsc2)cc1C#N ZINC000926872474 759834303 /nfs/dbraw/zinc/83/43/03/759834303.db2.gz VCKQBZLQPREUAA-UHFFFAOYSA-N 0 3 356.495 3.202 20 30 FGEDHN N#CCCc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000928400756 760184876 /nfs/dbraw/zinc/18/48/76/760184876.db2.gz HDZZGHUCKFYGGQ-LSDHHAIUSA-N 0 3 356.344 3.065 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931916889 761006056 /nfs/dbraw/zinc/00/60/56/761006056.db2.gz XDWOHMFFNRZIMP-ZDUSSCGKSA-N 0 3 361.364 3.315 20 30 FGEDHN C[C@]12CSC[C@H]1CN(CC(=O)C(C#N)c1nc3ccccc3s1)C2 ZINC000934771115 761712770 /nfs/dbraw/zinc/71/27/70/761712770.db2.gz JBEMHJRMWAQYET-VBHSOAQHSA-N 0 3 357.504 3.157 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(C)sc2C)C1 ZINC000971556764 762912558 /nfs/dbraw/zinc/91/25/58/762912558.db2.gz UKYCRLDGUNOPDR-QRVBRYPASA-N 0 3 362.539 3.379 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC000997588110 765068096 /nfs/dbraw/zinc/06/80/96/765068096.db2.gz ADJPDGPWQZCCBG-IMJJTQAJSA-N 0 3 362.436 3.137 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2sccc2Cl)C1 ZINC000999429339 765159862 /nfs/dbraw/zinc/15/98/62/765159862.db2.gz ZYNPHQVZEYSHNV-SJQFEJMWSA-N 0 3 354.903 3.072 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001022841998 766032744 /nfs/dbraw/zinc/03/27/44/766032744.db2.gz UAJJDYHJKNWHKO-DFGXFYAUSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2Cl)C1 ZINC001022842105 766033537 /nfs/dbraw/zinc/03/35/37/766033537.db2.gz ZACYFUPZAKUDEJ-DFGXFYAUSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001023640905 766044905 /nfs/dbraw/zinc/04/49/05/766044905.db2.gz ORLOEZKSXVRZIE-WDSOQIARSA-N 0 3 362.539 3.448 20 30 FGEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001028243511 766120900 /nfs/dbraw/zinc/12/09/00/766120900.db2.gz RWZOTFZIQWAUOJ-SOUVJXGZSA-N 0 3 352.400 3.364 20 30 FGEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001033089373 766205220 /nfs/dbraw/zinc/20/52/20/766205220.db2.gz BPGYRPCKWVDKDK-YOTSKQKMSA-N 0 3 356.432 3.157 20 30 FGEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001046936778 766607706 /nfs/dbraw/zinc/60/77/06/766607706.db2.gz BKWFMMBZRUJOKM-ARFHVFGLSA-N 0 3 366.477 3.257 20 30 FGEDHN N#Cc1ccc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000048709759 257344142 /nfs/dbraw/zinc/34/41/42/257344142.db2.gz CKGJTOFAWFJIHS-HXUWFJFHSA-N 0 3 355.869 3.375 20 30 FGEDHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(C#N)CCc1ccccc1 ZINC000567941181 505579635 /nfs/dbraw/zinc/57/96/35/505579635.db2.gz NPDCXPIJYOQFJS-IRXDYDNUSA-N 0 3 351.454 3.125 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000579587010 505581325 /nfs/dbraw/zinc/58/13/25/505581325.db2.gz QOIZGJSRXWBDLV-UWJYYQICSA-N 0 3 362.477 3.215 20 30 FGEDHN C[C@@H](Cc1ccc(Br)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000579864042 505635031 /nfs/dbraw/zinc/63/50/31/505635031.db2.gz KDEGKZHSTCJRPH-LBPRGKRZSA-N 0 3 370.254 3.084 20 30 FGEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C12CCCCC2 ZINC000577001551 505642894 /nfs/dbraw/zinc/64/28/94/505642894.db2.gz QPRSMIHRLCDFAV-IRXDYDNUSA-N 0 3 359.470 3.424 20 30 FGEDHN CC(C)C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000568320450 505666337 /nfs/dbraw/zinc/66/63/37/505666337.db2.gz YGPFTWPYLFCJQR-HNNXBMFYSA-N 0 3 363.508 3.165 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000029754971 493857141 /nfs/dbraw/zinc/85/71/41/493857141.db2.gz DXLLDOUWMHOBCS-PXNSSMCTSA-N 0 3 363.461 3.279 20 30 FGEDHN CC1CCN(CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000076545327 493918973 /nfs/dbraw/zinc/91/89/73/493918973.db2.gz NSEZJBPBWKLNGJ-UHFFFAOYSA-N 0 3 352.385 3.013 20 30 FGEDHN C[C@@H](NC(=O)NCCCN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000031106011 493925435 /nfs/dbraw/zinc/92/54/35/493925435.db2.gz CEZDTIBXGQVZTG-QGZVFWFLSA-N 0 3 350.466 3.441 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCO1 ZINC000076745108 493964064 /nfs/dbraw/zinc/96/40/64/493964064.db2.gz QWMGWRZBXPIRQF-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000061048145 493964277 /nfs/dbraw/zinc/96/42/77/493964277.db2.gz HRWVQWUBMZBZMT-UHFFFAOYSA-N 0 3 355.482 3.052 20 30 FGEDHN C[C@@H](Sc1ccccn1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000084971561 494110246 /nfs/dbraw/zinc/11/02/46/494110246.db2.gz WDVNIUHNEFJZET-MRXNPFEDSA-N 0 3 368.506 3.024 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC)C(C)C ZINC000064743486 494146580 /nfs/dbraw/zinc/14/65/80/494146580.db2.gz VTFQEBKSCBKHND-SFHVURJKSA-N 0 3 356.470 3.387 20 30 FGEDHN N#CC(C(=O)c1ccc(Br)cc1)c1nnc2n1CCCCC2 ZINC000072678661 494231135 /nfs/dbraw/zinc/23/11/35/494231135.db2.gz UEEKBHYSQJCHBI-ZDUSSCGKSA-N 0 3 359.227 3.257 20 30 FGEDHN N#CC(C(=O)c1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2 ZINC000072678764 494231431 /nfs/dbraw/zinc/23/14/31/494231431.db2.gz KINKWKDZASNSOB-ZDUSSCGKSA-N 0 3 364.327 3.393 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088374757 494231472 /nfs/dbraw/zinc/23/14/72/494231472.db2.gz WIJPWSYCPFXBFY-UHFFFAOYSA-N 0 3 356.426 3.146 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccccc1F ZINC000065930044 494256987 /nfs/dbraw/zinc/25/69/87/494256987.db2.gz UWKHJVYGSWTCQZ-UHFFFAOYSA-N 0 3 353.441 3.220 20 30 FGEDHN CCc1ccc(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930012 494257034 /nfs/dbraw/zinc/25/70/34/494257034.db2.gz VIENVRBDQBHPKQ-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN C=CCOc1ccccc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000078228047 494257127 /nfs/dbraw/zinc/25/71/27/494257127.db2.gz QLPRGLDAERKXAH-IBGZPJMESA-N 0 3 356.466 3.316 20 30 FGEDHN C[C@@H](Oc1ccc(F)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930117 494257272 /nfs/dbraw/zinc/25/72/72/494257272.db2.gz HAKQHXWUGMNWSL-MRXNPFEDSA-N 0 3 369.440 3.055 20 30 FGEDHN CCn1c(C)cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C ZINC000065930816 494257477 /nfs/dbraw/zinc/25/74/77/494257477.db2.gz FYENDLCYFZEPJL-UHFFFAOYSA-N 0 3 352.482 3.201 20 30 FGEDHN CC(C)(C)CC(C)(C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000065950795 494260717 /nfs/dbraw/zinc/26/07/17/494260717.db2.gz QMSLQVGNIQEPJJ-UHFFFAOYSA-N 0 3 353.470 3.487 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000065964125 494262058 /nfs/dbraw/zinc/26/20/58/494262058.db2.gz RQSVBJCBJHKDBP-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN Cc1ccccc1CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000043478101 494298803 /nfs/dbraw/zinc/29/88/03/494298803.db2.gz UOSNLOSKLNIYHM-UHFFFAOYSA-N 0 3 364.493 3.183 20 30 FGEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000066391981 494326141 /nfs/dbraw/zinc/32/61/41/494326141.db2.gz XIRMUJJQQAWQFC-ZDUSSCGKSA-N 0 3 371.308 3.322 20 30 FGEDHN Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C[NH+](C)C)c1 ZINC000073314369 494356845 /nfs/dbraw/zinc/35/68/45/494356845.db2.gz CYIOJTAPIUHCDV-UHFFFAOYSA-N 0 3 363.870 3.383 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)NCC(C)(C)CCC#N)cc2)CC1 ZINC000574189400 505715682 /nfs/dbraw/zinc/71/56/82/505715682.db2.gz OPLHKSZOTFPCFA-UHFFFAOYSA-N 0 3 356.514 3.277 20 30 FGEDHN CC(C)(C)c1nc(CCNC[C@H](O)COc2ccc(CC#N)cc2)cs1 ZINC000574191290 505715830 /nfs/dbraw/zinc/71/58/30/505715830.db2.gz BMZJZAXWZAPXIM-KRWDZBQOSA-N 0 3 373.522 3.079 20 30 FGEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000090106849 494443496 /nfs/dbraw/zinc/44/34/96/494443496.db2.gz JVYITPSALIGGMU-OAHLLOKOSA-N 0 3 358.463 3.081 20 30 FGEDHN CN(C)[C@H](CNC(=O)c1cccc(SCC#N)c1)Cc1ccccc1 ZINC000079505841 494469041 /nfs/dbraw/zinc/46/90/41/494469041.db2.gz ISSPMRPZFLRGHS-SFHVURJKSA-N 0 3 353.491 3.205 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)CC1 ZINC000074132467 494485960 /nfs/dbraw/zinc/48/59/60/494485960.db2.gz DUAXXUHJWQSJHB-PXNSSMCTSA-N 0 3 357.498 3.117 20 30 FGEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000067248032 494500138 /nfs/dbraw/zinc/50/01/38/494500138.db2.gz HYMAVUIPOYGEFO-OAHLLOKOSA-N 0 3 360.479 3.010 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000067570242 494570374 /nfs/dbraw/zinc/57/03/74/494570374.db2.gz FNMYACXSYGNTIV-NRFANRHFSA-N 0 3 362.477 3.270 20 30 FGEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000023674166 494574848 /nfs/dbraw/zinc/57/48/48/494574848.db2.gz FFEIKMSHXSFUTM-WMLDXEAASA-N 0 3 360.404 3.464 20 30 FGEDHN CN(CCCNC(=O)N(C)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000046889150 494578672 /nfs/dbraw/zinc/57/86/72/494578672.db2.gz GKPGYAQJULJGMD-UHFFFAOYSA-N 0 3 350.466 3.222 20 30 FGEDHN COc1cccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047011346 494615993 /nfs/dbraw/zinc/61/59/93/494615993.db2.gz MQNDMXIAEBSLEZ-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000121246211 494664702 /nfs/dbraw/zinc/66/47/02/494664702.db2.gz KOZUYQNWQKHDGQ-VQTJNVASSA-N 0 3 357.498 3.246 20 30 FGEDHN COc1ccc(CN2CCC(n3cccn3)CC2)cc1OCCCC#N ZINC000092618220 494688809 /nfs/dbraw/zinc/68/88/09/494688809.db2.gz IKFAKXAIINJDNF-UHFFFAOYSA-N 0 3 354.454 3.411 20 30 FGEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000116066644 494693416 /nfs/dbraw/zinc/69/34/16/494693416.db2.gz QJDMQMVXCHJANX-KRWDZBQOSA-N 0 3 363.461 3.279 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000025056785 494693730 /nfs/dbraw/zinc/69/37/30/494693730.db2.gz BFLRXUNFQSONSA-UHFFFAOYSA-N 0 3 361.445 3.482 20 30 FGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000121391192 494734880 /nfs/dbraw/zinc/73/48/80/494734880.db2.gz OWYOBTDKRUGHBM-UHFFFAOYSA-N 0 3 370.844 3.237 20 30 FGEDHN N#Cc1ccc2ncc(CN3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)n2c1 ZINC000091966651 494738551 /nfs/dbraw/zinc/73/85/51/494738551.db2.gz JBBBZFZRTSPKSB-ICSRJNTNSA-N 0 3 364.424 3.433 20 30 FGEDHN Cc1[nH]c2ccccc2c1C1=CCN(CCC(=O)N(C)CCC#N)CC1 ZINC000092804653 494754148 /nfs/dbraw/zinc/75/41/48/494754148.db2.gz BVHRYALAZSJDPR-UHFFFAOYSA-N 0 3 350.466 3.328 20 30 FGEDHN N#CCCCOc1cccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000121610998 494820009 /nfs/dbraw/zinc/82/00/09/494820009.db2.gz MSHMWASMCOCXHH-INIZCTEOSA-N 0 3 369.387 3.012 20 30 FGEDHN CC(C)n1cnnc1[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000093201386 494841975 /nfs/dbraw/zinc/84/19/75/494841975.db2.gz CPRVJVLPUDITLW-OAHLLOKOSA-N 0 3 372.498 3.000 20 30 FGEDHN COc1cc(CN2CCC[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000116877885 494864757 /nfs/dbraw/zinc/86/47/57/494864757.db2.gz JOCYGGQTDQQDIR-LJQANCHMSA-N 0 3 352.434 3.103 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)CCC(=O)Nc1ccc(F)cc1 ZINC000577538676 505747496 /nfs/dbraw/zinc/74/74/96/505747496.db2.gz NYEJFRGZENRUEP-UHFFFAOYSA-N 0 3 355.413 3.175 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000093663898 494909952 /nfs/dbraw/zinc/90/99/52/494909952.db2.gz MAAUDUGHKHDEPF-QGZVFWFLSA-N 0 3 350.890 3.059 20 30 FGEDHN Cc1cccn2c(CN3CCCN(Cc4ccc(C#N)cc4)CC3)cnc12 ZINC000122825280 495036963 /nfs/dbraw/zinc/03/69/63/495036963.db2.gz JFZAIUDDWBOAOS-UHFFFAOYSA-N 0 3 359.477 3.222 20 30 FGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000128092077 495042925 /nfs/dbraw/zinc/04/29/25/495042925.db2.gz FGQZJOAIFVPFFU-UHFFFAOYSA-N 0 3 374.916 3.348 20 30 FGEDHN CCN1CCN([C@@H]2CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000118834623 495044395 /nfs/dbraw/zinc/04/43/95/495044395.db2.gz NFNZLMZNCVBCPU-HSZRJFAPSA-N 0 3 374.532 3.437 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cnc2ccccc2c1 ZINC000118878334 495051090 /nfs/dbraw/zinc/05/10/90/495051090.db2.gz UJCLMGRFZJSWJC-UHFFFAOYSA-N 0 3 372.472 3.239 20 30 FGEDHN CN(C(=O)C1CC1)c1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122996900 495065300 /nfs/dbraw/zinc/06/53/00/495065300.db2.gz ZWXFIWOHDMLLHE-MRXNPFEDSA-N 0 3 372.428 3.436 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC000119053359 495081439 /nfs/dbraw/zinc/08/14/39/495081439.db2.gz WCPCJFJGBWJQCU-KRWDZBQOSA-N 0 3 359.514 3.214 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1csc(-c2ncccn2)n1)C(C)C ZINC000101684364 495091327 /nfs/dbraw/zinc/09/13/27/495091327.db2.gz ASSKKHKTIYCKTI-MRXNPFEDSA-N 0 3 371.510 3.029 20 30 FGEDHN CSc1cccc(N(C(=O)c2ccc(C#N)cn2)C2CCN(C)CC2)c1 ZINC000112247777 495160257 /nfs/dbraw/zinc/16/02/57/495160257.db2.gz SUZUCZFOZWOPHQ-UHFFFAOYSA-N 0 3 366.490 3.416 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000102802550 495162885 /nfs/dbraw/zinc/16/28/85/495162885.db2.gz ILDPGEQUNPRFKD-GFCCVEGCSA-N 0 3 352.385 3.156 20 30 FGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000112383488 495182503 /nfs/dbraw/zinc/18/25/03/495182503.db2.gz FXGJRFGPEFJPHL-LJQANCHMSA-N 0 3 366.440 3.071 20 30 FGEDHN C[C@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000112791684 495242014 /nfs/dbraw/zinc/24/20/14/495242014.db2.gz AVXYHMPVWMIFCS-PXNSSMCTSA-N 0 3 357.498 3.044 20 30 FGEDHN CN1CCC[C@H](CNC(=O)COc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000129884877 495310306 /nfs/dbraw/zinc/31/03/06/495310306.db2.gz YDCWBRUULXKXHJ-OXQOHEQNSA-N 0 3 369.490 3.198 20 30 FGEDHN C[C@H](NC(C)(C)CNC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000113590068 495318513 /nfs/dbraw/zinc/31/85/13/495318513.db2.gz YNNPLKAYJQCUEO-INIZCTEOSA-N 0 3 350.466 3.487 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)onc1-c1ccccn1)C(C)C ZINC000130319676 495373290 /nfs/dbraw/zinc/37/32/90/495373290.db2.gz NEZZKRZQBGJGDU-SFHVURJKSA-N 0 3 368.481 3.473 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)CC1 ZINC000106034545 495405870 /nfs/dbraw/zinc/40/58/70/495405870.db2.gz LIHBCRJXFWRKQO-NRFANRHFSA-N 0 3 371.525 3.047 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CSc3nccn3C)o2)CC1 ZINC000106035529 495405976 /nfs/dbraw/zinc/40/59/76/495405976.db2.gz LPKQTRCNGKWYKQ-UHFFFAOYSA-N 0 3 374.510 3.076 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000106036755 495406055 /nfs/dbraw/zinc/40/60/55/495406055.db2.gz YVLNPEPRPWNZJH-UHFFFAOYSA-N 0 3 352.482 3.259 20 30 FGEDHN COc1ccc([C@H](CNc2ncc(C#N)cc2Cl)N(C)C)cc1OC ZINC000114708543 495412725 /nfs/dbraw/zinc/41/27/25/495412725.db2.gz DJDNDMIRTYQFRM-HNNXBMFYSA-N 0 3 360.845 3.339 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000125421283 495441807 /nfs/dbraw/zinc/44/18/07/495441807.db2.gz BHDCNOUYPLVBBW-UHFFFAOYSA-N 0 3 352.394 3.341 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000106328019 495444900 /nfs/dbraw/zinc/44/49/00/495444900.db2.gz VBGYJDNYDWMQNU-LJQANCHMSA-N 0 3 374.529 3.146 20 30 FGEDHN CN(CCN1CCCC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115368104 495495658 /nfs/dbraw/zinc/49/56/58/495495658.db2.gz XVQDMWKYQPXOSF-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106790338 495496148 /nfs/dbraw/zinc/49/61/48/495496148.db2.gz NLYPSLDJYZQEMM-YLJYHZDGSA-N 0 3 355.482 3.095 20 30 FGEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000115439618 495503841 /nfs/dbraw/zinc/50/38/41/495503841.db2.gz SCRVLBWUFHGRCM-KRWDZBQOSA-N 0 3 367.449 3.144 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179379630 495568586 /nfs/dbraw/zinc/56/85/86/495568586.db2.gz VLMMGNMCWIUZKO-LBPRGKRZSA-N 0 3 374.432 3.103 20 30 FGEDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000176312206 495594145 /nfs/dbraw/zinc/59/41/45/495594145.db2.gz SJEQPBARXXSZQW-UHFFFAOYSA-N 0 3 357.458 3.303 20 30 FGEDHN CC(C)Oc1ccc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000179531282 495630933 /nfs/dbraw/zinc/63/09/33/495630933.db2.gz MUBKAWXDZMKBLM-LPHOPBHVSA-N 0 3 354.450 3.436 20 30 FGEDHN COc1ccc([O-])c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000182663741 495654612 /nfs/dbraw/zinc/65/46/12/495654612.db2.gz DXPPQZCVSLKDIK-UHFFFAOYSA-N 0 3 353.422 3.147 20 30 FGEDHN Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(OCCN(C)C)c1 ZINC000154670667 495690644 /nfs/dbraw/zinc/69/06/44/495690644.db2.gz ZBQBYCBINXHYNO-UHFFFAOYSA-N 0 3 366.465 3.471 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2ccccc2OC(F)(F)F)CC1 ZINC000176586918 495710676 /nfs/dbraw/zinc/71/06/76/495710676.db2.gz OPNHWLINAIPMFN-UHFFFAOYSA-N 0 3 371.403 3.077 20 30 FGEDHN C[C@@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1cccc(C#N)c1 ZINC000179759685 495721909 /nfs/dbraw/zinc/72/19/09/495721909.db2.gz QAXODTVTCHIECO-MRXNPFEDSA-N 0 3 362.477 3.429 20 30 FGEDHN Cc1cc(=O)c(C(=O)C(C#N)c2ccccn2)nn1-c1cccc(Cl)c1 ZINC000173951761 495761770 /nfs/dbraw/zinc/76/17/70/495761770.db2.gz RDTQMMFMYZKUQP-OAHLLOKOSA-N 0 3 364.792 3.079 20 30 FGEDHN Cc1noc([C@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000179941107 495792839 /nfs/dbraw/zinc/79/28/39/495792839.db2.gz BAOLJOZNCYYDOR-KRWDZBQOSA-N 0 3 362.437 3.030 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(c4ccc(F)cc4F)CCCC3)cnc12 ZINC000571762886 505809337 /nfs/dbraw/zinc/80/93/37/505809337.db2.gz PUPQINYIIRGGDZ-UHFFFAOYSA-N 0 3 367.403 3.481 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1c(F)cc(C#N)cc1F ZINC000151416820 495833332 /nfs/dbraw/zinc/83/33/32/495833332.db2.gz ZKGAXNNPVRRBTN-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183146814 495854097 /nfs/dbraw/zinc/85/40/97/495854097.db2.gz KHWWDTCODCEIMO-UHFFFAOYSA-N 0 3 364.371 3.489 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2-c2nncn2CC)CC1 ZINC000177019900 495886294 /nfs/dbraw/zinc/88/62/94/495886294.db2.gz MCBHDKXEYPAUIB-UHFFFAOYSA-N 0 3 368.485 3.127 20 30 FGEDHN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160197771 495906473 /nfs/dbraw/zinc/90/64/73/495906473.db2.gz SANHAEIWIQTGIH-YJBOKZPZSA-N 0 3 353.445 3.067 20 30 FGEDHN CCc1ccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)N(C)C)cc1 ZINC000151661035 495910878 /nfs/dbraw/zinc/91/08/78/495910878.db2.gz ODTFOINSWONVGW-SFHVURJKSA-N 0 3 357.404 3.432 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180215888 495912115 /nfs/dbraw/zinc/91/21/15/495912115.db2.gz XYZCICIRFYQBLT-UKRRQHHQSA-N 0 3 371.387 3.151 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCCN(c3cnn(C)c3)C2)ccc1OC ZINC000174519403 495992758 /nfs/dbraw/zinc/99/27/58/495992758.db2.gz VXQNGVVAPYEPNY-SFHVURJKSA-N 0 3 370.497 3.142 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)[N-][C@@H]2CCCC[C@@H]2C)cc1 ZINC000151927672 495995182 /nfs/dbraw/zinc/99/51/82/495995182.db2.gz QUDWOSVWVLMYPJ-DOTOQJQBSA-O 0 3 371.530 3.123 20 30 FGEDHN CC[C@H](C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000151933074 495996209 /nfs/dbraw/zinc/99/62/09/495996209.db2.gz SNBJZNYTXZQDFL-AWEZNQCLSA-O 0 3 373.546 3.332 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000171737693 496014911 /nfs/dbraw/zinc/01/49/11/496014911.db2.gz DIBORFDOCXYTNM-UHFFFAOYSA-N 0 3 368.275 3.230 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000171741504 496016597 /nfs/dbraw/zinc/01/65/97/496016597.db2.gz DNCKATDBIMUOAZ-CQSZACIVSA-N 0 3 359.470 3.181 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nc3c(s2)CCCC3)CC1 ZINC000177492652 496084782 /nfs/dbraw/zinc/08/47/82/496084782.db2.gz GOGLZLNWASNNBF-UHFFFAOYSA-N 0 3 362.543 3.204 20 30 FGEDHN N#Cc1csc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000177683302 496158433 /nfs/dbraw/zinc/15/84/33/496158433.db2.gz JXHWFGSHSUNAHV-SFHVURJKSA-N 0 3 361.898 3.436 20 30 FGEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000177686717 496160584 /nfs/dbraw/zinc/16/05/84/496160584.db2.gz LFPAVXYTCCTNSI-CYBMUJFWSA-N 0 3 355.463 3.128 20 30 FGEDHN C=C(C)C[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(CC)cc1 ZINC000186960499 496229964 /nfs/dbraw/zinc/22/99/64/496229964.db2.gz CFAYFPWMGIOIIE-UHFFFAOYSA-O 0 3 358.487 3.246 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)c3c(F)cc(C#N)cc3F)c2)CC1 ZINC000184262009 496309649 /nfs/dbraw/zinc/30/96/49/496309649.db2.gz GKOPRECPLQEVGB-UHFFFAOYSA-N 0 3 370.403 3.231 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181225105 496318816 /nfs/dbraw/zinc/31/88/16/496318816.db2.gz ZXTKDSQNBJLOMF-VCOUNFBDSA-N 0 3 366.461 3.055 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCN(C3CC3)CC2)c1 ZINC000172541582 496334249 /nfs/dbraw/zinc/33/42/49/496334249.db2.gz MGXMZRDFTLWREW-IBGZPJMESA-N 0 3 368.525 3.109 20 30 FGEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000181333839 496357300 /nfs/dbraw/zinc/35/73/00/496357300.db2.gz IPHCLXTUCRQEFM-OAHLLOKOSA-N 0 3 351.406 3.244 20 30 FGEDHN C[C@@H](NCc1ccccc1CN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181415511 496385403 /nfs/dbraw/zinc/38/54/03/496385403.db2.gz UAQBFDOFSURAFD-GOSISDBHSA-N 0 3 365.477 3.272 20 30 FGEDHN CC(C)OC(=O)C[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000184444288 496385752 /nfs/dbraw/zinc/38/57/52/496385752.db2.gz YXAWOXNGVDGDJZ-AWEZNQCLSA-N 0 3 363.483 3.002 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000184652938 496480506 /nfs/dbraw/zinc/48/05/06/496480506.db2.gz RSIMJUHAXVGIJA-SFHVURJKSA-N 0 3 363.889 3.073 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000157602321 496512839 /nfs/dbraw/zinc/51/28/39/496512839.db2.gz JRWHZBPMBOIOPH-UHFFFAOYSA-N 0 3 361.405 3.050 20 30 FGEDHN C=CCOc1c(Br)cc(CN(CCO)C2CC2)cc1OCC ZINC000153600329 496513412 /nfs/dbraw/zinc/51/34/12/496513412.db2.gz DUIBIUYUTNORMV-UHFFFAOYSA-N 0 3 370.287 3.369 20 30 FGEDHN C[C@@H](NCCNC(=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000181958845 496612716 /nfs/dbraw/zinc/61/27/16/496612716.db2.gz HDKYTHIGBUBMME-CYBMUJFWSA-N 0 3 372.266 3.401 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCc3cc(OCCC)ccc3C2)CC1 ZINC000178954461 496628027 /nfs/dbraw/zinc/62/80/27/496628027.db2.gz JSRMBSDMLHUOST-UHFFFAOYSA-N 0 3 357.498 3.194 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000154031835 496660172 /nfs/dbraw/zinc/66/01/72/496660172.db2.gz AMRNXHKSGNALQE-HNNXBMFYSA-N 0 3 361.534 3.347 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(C(F)(F)F)cc2C)CC1 ZINC000188155515 496704284 /nfs/dbraw/zinc/70/42/84/496704284.db2.gz ZBLBSBALKHYSAT-UHFFFAOYSA-N 0 3 355.404 3.463 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Cl)cc2OCC)CC1 ZINC000179219237 496715336 /nfs/dbraw/zinc/71/53/36/496715336.db2.gz HSQQKHHEZGFWCA-UHFFFAOYSA-N 0 3 351.878 3.188 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000179229032 496718172 /nfs/dbraw/zinc/71/81/72/496718172.db2.gz OZPGWCOPMPUKJE-UHFFFAOYSA-N 0 3 362.271 3.311 20 30 FGEDHN CC[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCO1 ZINC000182334312 496730209 /nfs/dbraw/zinc/73/02/09/496730209.db2.gz GEMMHNWFOKFFAQ-CVEARBPZSA-N 0 3 361.511 3.374 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000247188361 496801493 /nfs/dbraw/zinc/80/14/93/496801493.db2.gz PYLJRPWMFJGENS-DLBZAZTESA-N 0 3 372.538 3.047 20 30 FGEDHN C=CCSCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000247495855 496872650 /nfs/dbraw/zinc/87/26/50/496872650.db2.gz WOOVLTNQTFXEAT-ZBFHGGJFSA-N 0 3 353.557 3.349 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)cc2C(F)(F)F)CC1 ZINC000264349059 496879225 /nfs/dbraw/zinc/87/92/25/496879225.db2.gz LDDBYCJSPUJDGL-UHFFFAOYSA-N 0 3 357.376 3.486 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000572025279 505872467 /nfs/dbraw/zinc/87/24/67/505872467.db2.gz XRIOMZLNAIEECR-KXBFYZLASA-N 0 3 374.529 3.462 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000264444391 496902087 /nfs/dbraw/zinc/90/20/87/496902087.db2.gz LTZCTYUHUALZIQ-IRXDYDNUSA-N 0 3 372.513 3.072 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000191833975 496904411 /nfs/dbraw/zinc/90/44/11/496904411.db2.gz LHQFGAQXHBEUDS-CQSZACIVSA-N 0 3 364.873 3.037 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000264485719 496911199 /nfs/dbraw/zinc/91/11/99/496911199.db2.gz MQEKYHWMGCZLBG-UHFFFAOYSA-N 0 3 359.470 3.414 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000191969670 496949129 /nfs/dbraw/zinc/94/91/29/496949129.db2.gz YTQIMOSXSCZCIY-OAHLLOKOSA-N 0 3 357.498 3.076 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000248453654 497016632 /nfs/dbraw/zinc/01/66/32/497016632.db2.gz ZEBVMLYANPFHEV-CVEARBPZSA-N 0 3 364.371 3.144 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000574912030 505881799 /nfs/dbraw/zinc/88/17/99/505881799.db2.gz MSMRVQSYWOSFNW-APWZRJJASA-N 0 3 372.852 3.455 20 30 FGEDHN Cn1cc(CN2CCC([C@@H]3CCCO3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000189249822 497058047 /nfs/dbraw/zinc/05/80/47/497058047.db2.gz RNSDHTIQQMPTQC-FQEVSTJZSA-N 0 3 350.466 3.350 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3nccc(C)n3)c2)CC1 ZINC000265172758 497063217 /nfs/dbraw/zinc/06/32/17/497063217.db2.gz ATSOWDCZZHTQOY-UHFFFAOYSA-N 0 3 351.454 3.224 20 30 FGEDHN N#C[C@]1(NC(=O)c2ccc(CN3CCCC3)cc2)CCc2ccccc2C1 ZINC000274490226 497110436 /nfs/dbraw/zinc/11/04/36/497110436.db2.gz QYJSSKOJWIXTFQ-QHCPKHFHSA-N 0 3 359.473 3.463 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000248885389 497126382 /nfs/dbraw/zinc/12/63/82/497126382.db2.gz LZSIXFCGHCMUOS-UMVBOHGHSA-N 0 3 351.372 3.483 20 30 FGEDHN C=C(C)CS(=O)(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000189535355 497154410 /nfs/dbraw/zinc/15/44/10/497154410.db2.gz UUDMRVYKFXTTHQ-IRXDYDNUSA-N 0 3 350.528 3.160 20 30 FGEDHN CC(C)(C#N)CC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000278787664 497220896 /nfs/dbraw/zinc/22/08/96/497220896.db2.gz PXWIJEOICQFGON-KRWDZBQOSA-N 0 3 351.454 3.208 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000278928006 497270407 /nfs/dbraw/zinc/27/04/07/497270407.db2.gz VWGXFOZZOAIBBH-QGZVFWFLSA-N 0 3 373.497 3.359 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000278934760 497272788 /nfs/dbraw/zinc/27/27/88/497272788.db2.gz TVLVHAUHYXULNK-HXUWFJFHSA-N 0 3 350.466 3.004 20 30 FGEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cc(Cl)cc(Cl)c1 ZINC000271474257 497358439 /nfs/dbraw/zinc/35/84/39/497358439.db2.gz MJCQXJAXHYBVPQ-GLTXTHCDSA-N 0 3 354.237 3.170 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(OCc3ccccc3)CC2)cc1 ZINC000279180053 497358858 /nfs/dbraw/zinc/35/88/58/497358858.db2.gz BHYXELGQAKVUDY-OAQYLSRUSA-N 0 3 373.456 3.448 20 30 FGEDHN CCN(CC)c1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000279252295 497382652 /nfs/dbraw/zinc/38/26/52/497382652.db2.gz HFANSTXRQDHDEO-HXUWFJFHSA-N 0 3 360.461 3.403 20 30 FGEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000245404537 497388194 /nfs/dbraw/zinc/38/81/94/497388194.db2.gz POLUGHICYZCAGN-IRXDYDNUSA-N 0 3 354.498 3.353 20 30 FGEDHN C#CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000271691025 497420123 /nfs/dbraw/zinc/42/01/23/497420123.db2.gz KINWUNLWCYLKPT-KRWDZBQOSA-N 0 3 367.405 3.286 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(OCC(F)F)c2)cc1 ZINC000279404057 497429590 /nfs/dbraw/zinc/42/95/90/497429590.db2.gz VJLXQILXAXTCOW-QGZVFWFLSA-N 0 3 369.371 3.201 20 30 FGEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000279412935 497432299 /nfs/dbraw/zinc/43/22/99/497432299.db2.gz FBJVPRWRDIQGCV-CZAAIQMYSA-N 0 3 363.461 3.025 20 30 FGEDHN COc1cc([C@H](C)NCCOc2cccc(C#N)c2)cc(OC)c1OC ZINC000271738038 497434086 /nfs/dbraw/zinc/43/40/86/497434086.db2.gz HWXCQEWSNHYMDI-AWEZNQCLSA-N 0 3 356.422 3.314 20 30 FGEDHN CCCO[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000245537688 497444656 /nfs/dbraw/zinc/44/46/56/497444656.db2.gz YKYWTZBNVWZJQD-PMACEKPBSA-N 0 3 355.482 3.335 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3cn4ccsc4n3)CC2)cc1 ZINC000271889075 497480645 /nfs/dbraw/zinc/48/06/45/497480645.db2.gz RLEBMLMPQPUEEN-UHFFFAOYSA-N 0 3 351.479 3.022 20 30 FGEDHN C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190606954 497543301 /nfs/dbraw/zinc/54/33/01/497543301.db2.gz VEMIUSJLBHCMND-FOIQADDNSA-N 0 3 351.425 3.019 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000246077572 497613163 /nfs/dbraw/zinc/61/31/63/497613163.db2.gz SXIBMILJEHSCGZ-RTBURBONSA-N 0 3 350.418 3.200 20 30 FGEDHN CN(C)c1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000246178754 497649461 /nfs/dbraw/zinc/64/94/61/497649461.db2.gz RFKVVSCBUUMXHR-IRLDBZIGSA-N 0 3 365.477 3.201 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOC3(C2)CCCCCC3)cc1 ZINC000280210556 497682719 /nfs/dbraw/zinc/68/27/19/497682719.db2.gz VCHCINCCIUGZIR-LJQANCHMSA-N 0 3 351.450 3.192 20 30 FGEDHN C=CCN(CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000191105799 497710702 /nfs/dbraw/zinc/71/07/02/497710702.db2.gz YDWQWDAXQJMZNM-UHFFFAOYSA-N 0 3 361.511 3.352 20 30 FGEDHN C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000272898951 497756009 /nfs/dbraw/zinc/75/60/09/497756009.db2.gz INHGVELTLLCIOD-OAHLLOKOSA-N 0 3 365.433 3.110 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C(F)(F)F ZINC000280492126 497770645 /nfs/dbraw/zinc/77/06/45/497770645.db2.gz BGJAENOEGKZZDY-UHFFFAOYSA-N 0 3 355.404 3.427 20 30 FGEDHN Cn1cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)c(-c2ccc(C#N)cc2)n1 ZINC000273006397 497782586 /nfs/dbraw/zinc/78/25/86/497782586.db2.gz YMJBMLGQWIHNHY-SFHVURJKSA-N 0 3 359.433 3.227 20 30 FGEDHN Cc1cnn([C@H]2CCN(C(=O)NCCN3CCC4(CCCCC4)CC3)C2)c1 ZINC000329545915 497825308 /nfs/dbraw/zinc/82/53/08/497825308.db2.gz GYOGCKPMKKDKMA-IBGZPJMESA-N 0 3 373.545 3.399 20 30 FGEDHN O=C(NCCN1CCC2(CCCCC2)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329601566 497841631 /nfs/dbraw/zinc/84/16/31/497841631.db2.gz XRCHYWHIQBMTOJ-OKZBNKHCSA-N 0 3 350.503 3.041 20 30 FGEDHN CS[C@@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@H]1N1CCCC1 ZINC000329619274 497847636 /nfs/dbraw/zinc/84/76/36/497847636.db2.gz QVCLPWBTHVMTJV-ZIAGYGMSSA-N 0 3 366.531 3.072 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329662040 497860747 /nfs/dbraw/zinc/86/07/47/497860747.db2.gz IWDNLTSWMHTBIC-HCXYKTFWSA-N 0 3 371.529 3.445 20 30 FGEDHN CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000329682632 497867926 /nfs/dbraw/zinc/86/79/26/497867926.db2.gz XKGMMJXEUCYIGN-XSLAGTTESA-N 0 3 357.502 3.055 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)CCN1C ZINC000329686660 497869063 /nfs/dbraw/zinc/86/90/63/497869063.db2.gz FSRWRTWYAQRGAG-SUMDDJOVSA-N 0 3 357.498 3.067 20 30 FGEDHN N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCN2C2CCCC2)cn1 ZINC000329684033 497869350 /nfs/dbraw/zinc/86/93/50/497869350.db2.gz XXSNZFNEKVSZPS-QGZVFWFLSA-N 0 3 350.426 3.134 20 30 FGEDHN CN(c1ccc(C#N)cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000299634693 497875719 /nfs/dbraw/zinc/87/57/19/497875719.db2.gz CVGLWBUHZLDPMB-UHFFFAOYSA-N 0 3 365.437 3.005 20 30 FGEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329732938 497882252 /nfs/dbraw/zinc/88/22/52/497882252.db2.gz QOAIYYRLOWWADK-AXVVYFOYSA-N 0 3 350.466 3.449 20 30 FGEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329732938 497882262 /nfs/dbraw/zinc/88/22/62/497882262.db2.gz QOAIYYRLOWWADK-AXVVYFOYSA-N 0 3 350.466 3.449 20 30 FGEDHN CC1CCN(CCNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000329736635 497884218 /nfs/dbraw/zinc/88/42/18/497884218.db2.gz SQJYEGCOVONXFI-HXUWFJFHSA-N 0 3 371.525 3.316 20 30 FGEDHN COc1cc(C#N)ccc1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288773567 497895211 /nfs/dbraw/zinc/89/52/11/497895211.db2.gz JUUARXVWHSLFOR-NRFANRHFSA-N 0 3 354.425 3.133 20 30 FGEDHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(C)CCN3CCCC3)ccc2NC1=O ZINC000329775139 497897636 /nfs/dbraw/zinc/89/76/36/497897636.db2.gz MWBSTPYTVUKSFD-YOEHRIQHSA-N 0 3 374.485 3.448 20 30 FGEDHN CN1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@H](O)C2)[C@H]1c1cccs1 ZINC000329797556 497904027 /nfs/dbraw/zinc/90/40/27/497904027.db2.gz FPSGRLHUECTYTJ-CBZIJGRNSA-N 0 3 365.543 3.186 20 30 FGEDHN COCC[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000284818301 497910951 /nfs/dbraw/zinc/91/09/51/497910951.db2.gz PQSNAMPRUMOBNX-MRXNPFEDSA-N 0 3 372.296 3.423 20 30 FGEDHN C[C@H](CNC[C@@H](O)COc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000575248714 505950408 /nfs/dbraw/zinc/95/04/08/505950408.db2.gz QIGKRWMELXKCOH-RHSMWYFYSA-N 0 3 360.841 3.008 20 30 FGEDHN Cc1oc(C(C)C)nc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000285040948 497978008 /nfs/dbraw/zinc/97/80/08/497978008.db2.gz GTMWZNVBSYNZPI-UHFFFAOYSA-N 0 3 354.454 3.182 20 30 FGEDHN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000329991818 497983077 /nfs/dbraw/zinc/98/30/77/497983077.db2.gz XERWPQYFJLCWHF-QRVBRYPASA-N 0 3 372.513 3.496 20 30 FGEDHN N#CCCn1cc(CN2CCC[C@H]2[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000285062413 497984175 /nfs/dbraw/zinc/98/41/75/497984175.db2.gz LQJZHJWEDYZRAK-OALUTQOASA-N 0 3 351.454 3.002 20 30 FGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2ccc(N(C)C)cc2)s1 ZINC000292367413 497988882 /nfs/dbraw/zinc/98/88/82/497988882.db2.gz RWPZBNPINHRSDD-UHFFFAOYSA-O 0 3 374.555 3.491 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000281092967 498018072 /nfs/dbraw/zinc/01/80/72/498018072.db2.gz URFKGLYGMVGWOM-KCLUMXDGSA-N 0 3 371.525 3.320 20 30 FGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 ZINC000292487555 498033191 /nfs/dbraw/zinc/03/31/91/498033191.db2.gz SRQAQRRLBXYLRM-ORAYPTAESA-N 0 3 355.463 3.240 20 30 FGEDHN CN1CCC(n2ccc(NC(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)n2)CC1 ZINC000330205136 498060867 /nfs/dbraw/zinc/06/08/67/498060867.db2.gz DFZAVEDSPWRUKC-YESZJQIVSA-N 0 3 359.518 3.257 20 30 FGEDHN Cc1noc(C)c1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330264139 498085242 /nfs/dbraw/zinc/08/52/42/498085242.db2.gz XNTODYJPVYNWNF-OKILXGFUSA-N 0 3 364.490 3.048 20 30 FGEDHN C=CCN1CCC(Nc2ccc(C(=O)N3CCc4ccccc43)cn2)CC1 ZINC000301395804 498091641 /nfs/dbraw/zinc/09/16/41/498091641.db2.gz LZNVCKWQSLUBTN-UHFFFAOYSA-N 0 3 362.477 3.347 20 30 FGEDHN CCOC1CC2(C1)CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000285510368 498112342 /nfs/dbraw/zinc/11/23/42/498112342.db2.gz NZIUHVFFTXQXAZ-UHFFFAOYSA-N 0 3 350.466 3.350 20 30 FGEDHN N#Cc1ccc(OC2CCN([C@@H]3Cc4ccccc4[C@@H]3O)CC2)c(F)c1 ZINC000285558585 498129595 /nfs/dbraw/zinc/12/95/95/498129595.db2.gz SHCARWDNEHHBJZ-CTNGQTDRSA-N 0 3 352.409 3.199 20 30 FGEDHN CNC(=O)NC(=O)CCN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000330426253 498131371 /nfs/dbraw/zinc/13/13/71/498131371.db2.gz JOBCGIUITIAQEB-CQSZACIVSA-N 0 3 357.376 3.283 20 30 FGEDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330463178 498136486 /nfs/dbraw/zinc/13/64/86/498136486.db2.gz CERYVZBOLRYYJN-GXSJLCMTSA-N 0 3 370.247 3.453 20 30 FGEDHN CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(OCC#N)cc3)CC[C@@H]2C1 ZINC000289457581 498155269 /nfs/dbraw/zinc/15/52/69/498155269.db2.gz GESSTDMLDWDXEZ-QZTJIDSGSA-N 0 3 371.481 3.278 20 30 FGEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000285656302 498161912 /nfs/dbraw/zinc/16/19/12/498161912.db2.gz XLPCSPVJPGNIQW-IIZPIQPGSA-N 0 3 365.477 3.173 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000296729307 498172297 /nfs/dbraw/zinc/17/22/97/498172297.db2.gz GMAUQCSBRWUFBR-VDGAXYAQSA-N 0 3 354.498 3.279 20 30 FGEDHN COc1ccc(NC(=O)NCC2=CCN(C)CC2)c(Br)c1 ZINC000330680185 498173258 /nfs/dbraw/zinc/17/32/58/498173258.db2.gz FCQRGSXYALAENP-UHFFFAOYSA-N 0 3 354.248 3.046 20 30 FGEDHN C[C@H](NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)C1=CCN(C)CC1 ZINC000330777614 498191696 /nfs/dbraw/zinc/19/16/96/498191696.db2.gz UQDFCAVMJWOXPG-LBPRGKRZSA-N 0 3 364.877 3.402 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1C(F)F ZINC000330787171 498194446 /nfs/dbraw/zinc/19/44/46/498194446.db2.gz OQKUTMVRNZKETG-LBPRGKRZSA-N 0 3 355.433 3.453 20 30 FGEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000281609031 498211608 /nfs/dbraw/zinc/21/16/08/498211608.db2.gz OZPWQIINVNSEKZ-IPMKNSEASA-N 0 3 351.450 3.047 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000330896466 498214668 /nfs/dbraw/zinc/21/46/68/498214668.db2.gz GXXHGVMEUPLHPR-ZJUUUORDSA-N 0 3 356.220 3.145 20 30 FGEDHN CCN1C(=O)N=NC1C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000360132676 498249379 /nfs/dbraw/zinc/24/93/79/498249379.db2.gz YLIHQCGZBXVSFQ-UHFFFAOYSA-N 0 3 353.470 3.184 20 30 FGEDHN Cc1sc(NC(=O)CN[C@]2(CO)C[C@H](C)CC(C)(C)C2)c(C#N)c1C ZINC000331188257 498271231 /nfs/dbraw/zinc/27/12/31/498271231.db2.gz JNDOBIOPZAMIOE-CWTRNNRKSA-N 0 3 363.527 3.342 20 30 FGEDHN Cn1c2ccccc2cc(CN2CCCN(c3ccccc3C#N)CC2)c1=O ZINC000569775452 506012652 /nfs/dbraw/zinc/01/26/52/506012652.db2.gz XIBOEYIKVBXBJX-UHFFFAOYSA-N 0 3 372.472 3.122 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281961100 498334742 /nfs/dbraw/zinc/33/47/42/498334742.db2.gz GEDPFIYVVRPVGH-AZUAARDMSA-N 0 3 350.466 3.004 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000365181412 498339060 /nfs/dbraw/zinc/33/90/60/498339060.db2.gz STXOBFLCRRJMLE-FFZOFVMBSA-N 0 3 355.482 3.096 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(OC)c1 ZINC000297434618 498448337 /nfs/dbraw/zinc/44/83/37/498448337.db2.gz KUAHOSLDLVGDBC-XKGZKEIXSA-N 0 3 372.513 3.460 20 30 FGEDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccc(C#N)s1 ZINC000362037513 498457376 /nfs/dbraw/zinc/45/73/76/498457376.db2.gz IXPCIXDRFWVWOJ-ZIAGYGMSSA-N 0 3 354.479 3.038 20 30 FGEDHN C=CCc1cc(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc(OC)c1O ZINC000569893027 506039698 /nfs/dbraw/zinc/03/96/98/506039698.db2.gz YVDKNEYBKWWXSN-UGKGYDQZSA-N 0 3 353.462 3.385 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)c(Cl)c1 ZINC000302466534 498489898 /nfs/dbraw/zinc/48/98/98/498489898.db2.gz SQBSFXRZXXSVCW-FQEVSTJZSA-N 0 3 355.869 3.285 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000578892144 506046256 /nfs/dbraw/zinc/04/62/56/506046256.db2.gz MTWGANCOUVVXLN-YSIASYRMSA-N 0 3 361.449 3.042 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3nccc(C(F)F)n3)CC2)cc1 ZINC000286858078 498531455 /nfs/dbraw/zinc/53/14/55/498531455.db2.gz AYEWSIIACHWMAY-UHFFFAOYSA-N 0 3 357.408 3.040 20 30 FGEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000576008368 506054433 /nfs/dbraw/zinc/05/44/33/506054433.db2.gz RQRVAHCANPWGFT-LBPRGKRZSA-N 0 3 359.355 3.341 20 30 FGEDHN CCc1cccc2c1OCC[C@H]2NC[C@H](O)COc1ccc(CC#N)cc1 ZINC000578980050 506066779 /nfs/dbraw/zinc/06/67/79/506066779.db2.gz QVLFBOVBOXIGDV-GHTZIAJQSA-N 0 3 366.461 3.168 20 30 FGEDHN O=C1C[C@H]([C@@H]2CCCCN2CC#Cc2ccc(C(F)(F)F)cc2)CN1 ZINC000363146527 498674258 /nfs/dbraw/zinc/67/42/58/498674258.db2.gz CDVHAOBDQAJUJS-RDJZCZTQSA-N 0 3 350.384 3.048 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000579004469 506072445 /nfs/dbraw/zinc/07/24/45/506072445.db2.gz DFQOZOHPDFXQPD-QFBILLFUSA-N 0 3 363.465 3.470 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298330231 498734030 /nfs/dbraw/zinc/73/40/30/498734030.db2.gz FLQFVAUHSBABCO-HBFSDRIKSA-N 0 3 354.498 3.375 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000298413862 498763158 /nfs/dbraw/zinc/76/31/58/498763158.db2.gz FQXNXJRSCKEURT-ICSRJNTNSA-N 0 3 371.387 3.285 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN2CCN([C@@H]3CCSC3)CC2)cc1 ZINC000366100339 498775551 /nfs/dbraw/zinc/77/55/51/498775551.db2.gz YYKSJLZPVVPABS-QGZVFWFLSA-N 0 3 354.441 3.180 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1C ZINC000283130204 498790041 /nfs/dbraw/zinc/79/00/41/498790041.db2.gz ZEWCEXKGSTZKCQ-SMDDNHRTSA-N 0 3 370.375 3.403 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3ccnc(OC(F)F)c3)CC2)cc1 ZINC000287695219 498838736 /nfs/dbraw/zinc/83/87/36/498838736.db2.gz WWZYPEKIQAQWFX-UHFFFAOYSA-N 0 3 358.392 3.313 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000291215039 498847036 /nfs/dbraw/zinc/84/70/36/498847036.db2.gz BOHXWHMQDKLMPO-UHFFFAOYSA-N 0 3 355.482 3.049 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2)CC1 ZINC000295005024 498877617 /nfs/dbraw/zinc/87/76/17/498877617.db2.gz OOYBBYWNJHKHAG-OAQYLSRUSA-N 0 3 352.482 3.241 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000366341915 498882390 /nfs/dbraw/zinc/88/23/90/498882390.db2.gz MEUVLXAXQCEPPH-WOJBJXKFSA-N 0 3 369.428 3.064 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000581990304 506107344 /nfs/dbraw/zinc/10/73/44/506107344.db2.gz ACHHFPQALYOUCW-FDDCHVKYSA-N 0 3 374.440 3.395 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000581990307 506107389 /nfs/dbraw/zinc/10/73/89/506107389.db2.gz ACHHFPQALYOUCW-WZONZLPQSA-N 0 3 374.440 3.395 20 30 FGEDHN Cc1cn2c(n1)[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)CCC2 ZINC000328722665 498915367 /nfs/dbraw/zinc/91/53/67/498915367.db2.gz SACBTWPILYBXOV-KRWDZBQOSA-N 0 3 361.534 3.037 20 30 FGEDHN CC(C)c1nnc2ccc(NC(=O)NCC(C)(C)N3CCCCC3)cn21 ZINC000328760929 498930293 /nfs/dbraw/zinc/93/02/93/498930293.db2.gz XWSRNAFRNGUJPK-UHFFFAOYSA-N 0 3 358.490 3.443 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@@H](C2CCOCC2)C1 ZINC000328830080 498952806 /nfs/dbraw/zinc/95/28/06/498952806.db2.gz KJIWXFNEEWIMFO-OIISXLGYSA-N 0 3 351.491 3.184 20 30 FGEDHN N#CCc1cccc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000288375334 499009047 /nfs/dbraw/zinc/00/90/47/499009047.db2.gz LKIABWTUOCBOTC-QHCPKHFHSA-N 0 3 359.473 3.491 20 30 FGEDHN CC1(C)CN(C2(CNC(=O)[C@H]3CCn4cncc4C3)CCCCC2)CCO1 ZINC000329008380 499013302 /nfs/dbraw/zinc/01/33/02/499013302.db2.gz YURPBVCWHXZDGO-KRWDZBQOSA-N 0 3 374.529 3.216 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N2C[C@H]3CCCN3C[C@H]2C)c1C(F)F ZINC000329094671 499040745 /nfs/dbraw/zinc/04/07/45/499040745.db2.gz KPEXIRHEFCJRQY-CHWSQXEVSA-N 0 3 355.433 3.191 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000329168201 499061412 /nfs/dbraw/zinc/06/14/12/499061412.db2.gz IQJORXLOZOUKTK-UGFHNGPFSA-N 0 3 370.280 3.443 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000570272851 506130319 /nfs/dbraw/zinc/13/03/19/506130319.db2.gz KJSHHYMDIYJHHK-LSDHHAIUSA-N 0 3 374.428 3.290 20 30 FGEDHN Cn1ccc2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2c1=O ZINC000284246295 499075626 /nfs/dbraw/zinc/07/56/26/499075626.db2.gz FITQVEARPJCSSX-UHFFFAOYSA-N 0 3 372.472 3.487 20 30 FGEDHN CCn1ncc(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1C(F)(F)F ZINC000329261202 499086604 /nfs/dbraw/zinc/08/66/04/499086604.db2.gz ZDHIZRVDQTVZSD-RYUDHWBXSA-N 0 3 359.396 3.026 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)N2CCCC2)cc1 ZINC000329306699 499095503 /nfs/dbraw/zinc/09/55/03/499095503.db2.gz YUFPSFSYXOYRQM-CEXWTWQISA-N 0 3 370.497 3.097 20 30 FGEDHN C[C@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)C1=CCN(C)CC1 ZINC000329313448 499097152 /nfs/dbraw/zinc/09/71/52/499097152.db2.gz GUEQKVVKTNORCL-HNNXBMFYSA-N 0 3 358.486 3.057 20 30 FGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329328572 499100429 /nfs/dbraw/zinc/10/04/29/499100429.db2.gz UYUOJDMTADASQU-UYAOXDASSA-N 0 3 355.482 3.048 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CC[C@H]2CN(C(C)=O)c3ccccc32)CC1 ZINC000364075792 499109477 /nfs/dbraw/zinc/10/94/77/499109477.db2.gz UCYAXBBVHCNSJQ-SFHVURJKSA-N 0 3 369.509 3.074 20 30 FGEDHN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H]2CCCN2Cc2ccccc2)no1 ZINC000329391827 499113799 /nfs/dbraw/zinc/11/37/99/499113799.db2.gz RVXDBGQAAIHWFZ-MSOLQXFVSA-N 0 3 369.469 3.094 20 30 FGEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329409854 499116831 /nfs/dbraw/zinc/11/68/31/499116831.db2.gz BRIULEZTPDIVTO-ZMSDIMECSA-N 0 3 350.507 3.041 20 30 FGEDHN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)CC1(O)CCC1 ZINC000329521300 499129139 /nfs/dbraw/zinc/12/91/39/499129139.db2.gz OUPVYUZTMWCSJT-IWUURBKTSA-N 0 3 363.502 3.061 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)onc1-c1cccnc1)C(C)C ZINC000367224508 499164315 /nfs/dbraw/zinc/16/43/15/499164315.db2.gz ONNFPRCDMLLNGS-SFHVURJKSA-N 0 3 368.481 3.473 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](c2ccncn2)C1)C(C)C ZINC000367258577 499169536 /nfs/dbraw/zinc/16/95/36/499169536.db2.gz QYTJYYTWWJRIHW-UYAOXDASSA-N 0 3 371.529 3.064 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000367458197 499201188 /nfs/dbraw/zinc/20/11/88/499201188.db2.gz JXDWPKGPVUOOBL-NHCUHLMSSA-N 0 3 372.509 3.147 20 30 FGEDHN CC(C)N1CC[C@H](N(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000573181846 506137513 /nfs/dbraw/zinc/13/75/13/506137513.db2.gz RJEVAZOFTANJKH-SFHVURJKSA-N 0 3 365.481 3.018 20 30 FGEDHN Cc1nccn1CCCN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000368051523 499259633 /nfs/dbraw/zinc/25/96/33/499259633.db2.gz NJVMZHWWYFPWIT-UHFFFAOYSA-N 0 3 362.481 3.491 20 30 FGEDHN Cn1cc(CN2CCCC[C@H]2Cn2cccn2)c(-c2ccc(C#N)cc2)n1 ZINC000371528500 499338471 /nfs/dbraw/zinc/33/84/71/499338471.db2.gz MEXYTLFKEAJOGQ-FQEVSTJZSA-N 0 3 360.465 3.210 20 30 FGEDHN C=CCN(C(=O)Cc1c(C)noc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000371590530 499345168 /nfs/dbraw/zinc/34/51/68/499345168.db2.gz OADORUBEXPOLTA-LJQANCHMSA-N 0 3 353.466 3.123 20 30 FGEDHN N#CC1(CCCN2CCCN(C(=O)c3ccccc3F)CC2)CCOCC1 ZINC000369187676 499375782 /nfs/dbraw/zinc/37/57/82/499375782.db2.gz JIPYCPMCZJPKTF-UHFFFAOYSA-N 0 3 373.472 3.074 20 30 FGEDHN Cc1cc(C)c2c(c1)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)CCO2 ZINC000369300171 499389147 /nfs/dbraw/zinc/38/91/47/499389147.db2.gz YWCQCLWWWKGHIT-UYAOXDASSA-N 0 3 359.429 3.497 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000369303164 499389296 /nfs/dbraw/zinc/38/92/96/499389296.db2.gz OCNWNJBNZPEKFD-SFTDATJTSA-N 0 3 372.472 3.273 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000369321739 499391370 /nfs/dbraw/zinc/39/13/70/499391370.db2.gz MEFYREDHJVOCME-UYAOXDASSA-N 0 3 372.509 3.125 20 30 FGEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000369606892 499425826 /nfs/dbraw/zinc/42/58/26/499425826.db2.gz JASLGUBVABXOSB-CEXWTWQISA-N 0 3 351.535 3.264 20 30 FGEDHN CN1CC[C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000369788392 499443287 /nfs/dbraw/zinc/44/32/87/499443287.db2.gz DZGSTCDCMYKXTB-KBXCAEBGSA-N 0 3 372.469 3.251 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2NCc2cccnc2OCC(F)(F)F)O1 ZINC000373225715 499458627 /nfs/dbraw/zinc/45/86/27/499458627.db2.gz CMDIZZKKDFQRIV-KLHDSHLOSA-N 0 3 369.387 3.352 20 30 FGEDHN CN1CCC(n2ccc(NC(=O)Nc3ccc(C(C)(C)C#N)cc3)n2)CC1 ZINC000373284147 499461596 /nfs/dbraw/zinc/46/15/96/499461596.db2.gz KBQHVRWKLKRNPT-UHFFFAOYSA-N 0 3 366.469 3.017 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000373429356 499469371 /nfs/dbraw/zinc/46/93/71/499469371.db2.gz CLMBPBANJNZVLF-HXUWFJFHSA-N 0 3 358.445 3.117 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(Cc4ccccc4C3)C2)cc1 ZINC000373444882 499470014 /nfs/dbraw/zinc/47/00/14/499470014.db2.gz YKTPHAYRYRBXOV-NRFANRHFSA-N 0 3 355.441 3.258 20 30 FGEDHN N#Cc1ncn(C2CCN(Cc3ccc(-c4ccccc4F)o3)CC2)n1 ZINC000373469991 499471945 /nfs/dbraw/zinc/47/19/45/499471945.db2.gz QFSLIGHPKCQSSW-UHFFFAOYSA-N 0 3 351.385 3.386 20 30 FGEDHN N#CC[C@@H](CC(=O)Nc1cnn(CCN2CCCCC2)c1)c1ccccc1 ZINC000373572403 499477505 /nfs/dbraw/zinc/47/75/05/499477505.db2.gz CEJCMUGFGIKAPO-IBGZPJMESA-N 0 3 365.481 3.395 20 30 FGEDHN C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375273784 499501924 /nfs/dbraw/zinc/50/19/24/499501924.db2.gz CKPQBBMPYMZYNY-RXVVDRJESA-N 0 3 365.477 3.411 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378379668 499509469 /nfs/dbraw/zinc/50/94/69/499509469.db2.gz SQNZLWFCASLVJS-RBUKOAKNSA-N 0 3 371.481 3.082 20 30 FGEDHN C#CCC1(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CCCCC1 ZINC000375514744 499527237 /nfs/dbraw/zinc/52/72/37/499527237.db2.gz OHDPLRHVPDRTPP-FQEVSTJZSA-N 0 3 353.510 3.384 20 30 FGEDHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000375599982 499536684 /nfs/dbraw/zinc/53/66/84/499536684.db2.gz SADAAKWOWLZHCT-MPIRFRCKSA-N 0 3 354.498 3.233 20 30 FGEDHN N#Cc1cccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1F ZINC000404179632 499570134 /nfs/dbraw/zinc/57/01/34/499570134.db2.gz IUBNHRLJGNXFKX-LEWJYISDSA-N 0 3 365.452 3.173 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000377035390 499655718 /nfs/dbraw/zinc/65/57/18/499655718.db2.gz YSKMDXOFQGXGFT-RBUKOAKNSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CCN1CC[C@H](N(CCC)[C@@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000410347524 499656731 /nfs/dbraw/zinc/65/67/31/499656731.db2.gz OSJLVMWVLIEGQZ-RTWAWAEBSA-N 0 3 355.526 3.150 20 30 FGEDHN COC(=O)C1(c2ccccc2)CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000410380782 499658849 /nfs/dbraw/zinc/65/88/49/499658849.db2.gz VCGGEDUYTAIJJC-UHFFFAOYSA-N 0 3 370.493 3.294 20 30 FGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCN(c2ccccc2)CC1 ZINC000410809438 499680357 /nfs/dbraw/zinc/68/03/57/499680357.db2.gz SIBBWFUYDUUWBN-FQEVSTJZSA-N 0 3 372.472 3.368 20 30 FGEDHN CCN1CCC(N(C(=O)/C=C/c2ccc(OCC#N)cc2)C2CC2)CC1 ZINC000377459373 499692861 /nfs/dbraw/zinc/69/28/61/499692861.db2.gz IGYOESJGXIWFDC-BJMVGYQFSA-N 0 3 353.466 3.077 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2COc3cccc(Cl)c32)cc1 ZINC000377510414 499698744 /nfs/dbraw/zinc/69/87/44/499698744.db2.gz YOEUKUSFZAVFFQ-GDBMZVCRSA-N 0 3 351.793 3.144 20 30 FGEDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000377743238 499727391 /nfs/dbraw/zinc/72/73/91/499727391.db2.gz PBDCCCHVHJBVGE-BPLDGKMQSA-N 0 3 368.403 3.273 20 30 FGEDHN N#CC1(CCN2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCCCC1 ZINC000411679332 499776890 /nfs/dbraw/zinc/77/68/90/499776890.db2.gz WEAUYYCLVPKGMI-RTWAWAEBSA-N 0 3 353.510 3.436 20 30 FGEDHN NC(=O)[C@]1(c2ccccc2)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000411965279 499807186 /nfs/dbraw/zinc/80/71/86/499807186.db2.gz KBXDPEUFWAXXQI-HXUWFJFHSA-N 0 3 372.390 3.186 20 30 FGEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412015451 499813024 /nfs/dbraw/zinc/81/30/24/499813024.db2.gz SOADYDFLOFNZLW-PMACEKPBSA-N 0 3 352.482 3.301 20 30 FGEDHN CN(C)Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c(F)c1 ZINC000412558192 499863164 /nfs/dbraw/zinc/86/31/64/499863164.db2.gz KTCUPSIGIZOYMS-QGZVFWFLSA-N 0 3 350.397 3.080 20 30 FGEDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1ncccc1OCCCC#N ZINC000415492006 499896392 /nfs/dbraw/zinc/89/63/92/499896392.db2.gz ADEMEPACRSSYDL-QGZVFWFLSA-N 0 3 367.453 3.148 20 30 FGEDHN Cc1cc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413116302 499915860 /nfs/dbraw/zinc/91/58/60/499915860.db2.gz PDQFAQINPPGUDL-HZPDHXFCSA-N 0 3 372.469 3.101 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415902831 499926115 /nfs/dbraw/zinc/92/61/15/499926115.db2.gz WQKLDZRQUVLYQB-UHFFFAOYSA-N 0 3 355.438 3.028 20 30 FGEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)N(C)C ZINC000413339407 499943120 /nfs/dbraw/zinc/94/31/20/499943120.db2.gz KWHBTFYISPLQGW-PMACEKPBSA-N 0 3 351.450 3.287 20 30 FGEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000421115470 499960668 /nfs/dbraw/zinc/96/06/68/499960668.db2.gz HKAQKNXWDOWEEE-CYBMUJFWSA-N 0 3 356.348 3.015 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc(OC)c1O ZINC000573305274 506167183 /nfs/dbraw/zinc/16/71/83/506167183.db2.gz SDVCLIHQQIMIQY-GOSISDBHSA-N 0 3 358.482 3.106 20 30 FGEDHN CN(C)[C@@H](CC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000416234138 499989402 /nfs/dbraw/zinc/98/94/02/499989402.db2.gz MECTUMKHJBOADB-NRFANRHFSA-N 0 3 365.477 3.226 20 30 FGEDHN C[C@H](C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1cccc(C#N)c1 ZINC000425014930 499993661 /nfs/dbraw/zinc/99/36/61/499993661.db2.gz UQVYDQKJVWRNJM-BULFRSBZSA-N 0 3 359.473 3.395 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000570445028 506169185 /nfs/dbraw/zinc/16/91/85/506169185.db2.gz UGGOFQNDJOVZLK-PKOBYXMFSA-N 0 3 372.465 3.397 20 30 FGEDHN C=CCN(C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000429319868 500051416 /nfs/dbraw/zinc/05/14/16/500051416.db2.gz TVXRNYLNZATMJA-SFHVURJKSA-N 0 3 353.470 3.288 20 30 FGEDHN CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000416681049 500084444 /nfs/dbraw/zinc/08/44/44/500084444.db2.gz JDNVOEWBQADZIN-OAQYLSRUSA-N 0 3 362.477 3.497 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416689531 500087397 /nfs/dbraw/zinc/08/73/97/500087397.db2.gz PICRHNMVVUZDBC-OAQYLSRUSA-N 0 3 362.477 3.497 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000425405738 500095261 /nfs/dbraw/zinc/09/52/61/500095261.db2.gz YWDPACJUYQOEBL-KVSKMBFKSA-N 0 3 358.486 3.070 20 30 FGEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1cncc(F)c1 ZINC000582287460 506177694 /nfs/dbraw/zinc/17/76/94/506177694.db2.gz FITSFHHFJQPLCQ-NSHDSACASA-N 0 3 358.442 3.322 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000425537188 500137002 /nfs/dbraw/zinc/13/70/02/500137002.db2.gz PWHUSOGPGJPLJD-CQSZACIVSA-N 0 3 352.394 3.488 20 30 FGEDHN N#CC1(CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC1 ZINC000416927560 500158861 /nfs/dbraw/zinc/15/88/61/500158861.db2.gz WFGBKZAXZGNLJL-UHFFFAOYSA-N 0 3 356.470 3.367 20 30 FGEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000426034980 500228816 /nfs/dbraw/zinc/22/88/16/500228816.db2.gz JZKHPNOWELACBJ-OAQYLSRUSA-N 0 3 369.509 3.330 20 30 FGEDHN COC(=O)COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418145243 500237049 /nfs/dbraw/zinc/23/70/49/500237049.db2.gz MSPDRRMBMBPVBK-FQEVSTJZSA-N 0 3 350.418 3.277 20 30 FGEDHN COc1cc(CN2CC[C@H](O)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426161329 500242806 /nfs/dbraw/zinc/24/28/06/500242806.db2.gz NPIXOKCJWVPVQM-UZLBHIALSA-N 0 3 366.461 3.349 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C)C2(CCCCC2)C1 ZINC000579490014 506187700 /nfs/dbraw/zinc/18/77/00/506187700.db2.gz KNVAPODOSXXQCW-OAHLLOKOSA-N 0 3 374.916 3.489 20 30 FGEDHN O=C(CN1CC[C@@H](CC2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000579500676 506189896 /nfs/dbraw/zinc/18/98/96/506189896.db2.gz VAALDKAPXQZUBX-KRWDZBQOSA-N 0 3 364.411 3.295 20 30 FGEDHN CCCC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(=O)Nc1cc(C)on1 ZINC000419383338 500359933 /nfs/dbraw/zinc/35/99/33/500359933.db2.gz ZZIRPLUQWHATCN-RBUKOAKNSA-N 0 3 366.465 3.441 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000424069989 500447223 /nfs/dbraw/zinc/44/72/23/500447223.db2.gz WJDTWJPQKVEZNJ-INIZCTEOSA-N 0 3 371.462 3.074 20 30 FGEDHN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000424125824 500457880 /nfs/dbraw/zinc/45/78/80/500457880.db2.gz OHYFAXQWVYZZAJ-TWMKSMIVSA-N 0 3 361.559 3.199 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000424134344 500458921 /nfs/dbraw/zinc/45/89/21/500458921.db2.gz HWIMXEUQZUMIME-GJZGRUSLSA-N 0 3 374.243 3.054 20 30 FGEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000424192778 500466496 /nfs/dbraw/zinc/46/64/96/500466496.db2.gz PPBHQEVMODTVES-JTQLQIEISA-N 0 3 351.275 3.266 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CC)CCOc2ccccc2C)CC1 ZINC000420789629 500501658 /nfs/dbraw/zinc/50/16/58/500501658.db2.gz MHLZFKXNSXBQGI-UHFFFAOYSA-N 0 3 359.514 3.446 20 30 FGEDHN N#CC[C@H](CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccccc1 ZINC000428548217 500525263 /nfs/dbraw/zinc/52/52/63/500525263.db2.gz OLIDFTVCQUMSSL-CTNGQTDRSA-N 0 3 363.461 3.279 20 30 FGEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000424697046 500544680 /nfs/dbraw/zinc/54/46/80/500544680.db2.gz ZVGHJSOSWYOQJY-GOSISDBHSA-N 0 3 357.498 3.394 20 30 FGEDHN C=CCC1(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CCOCC1 ZINC000424773118 500560461 /nfs/dbraw/zinc/56/04/61/500560461.db2.gz MTCDOASXGPYDPV-UHFFFAOYSA-N 0 3 357.498 3.140 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000437656191 500677382 /nfs/dbraw/zinc/67/73/82/500677382.db2.gz HXNAAEBMZKBGGE-UFYCRDLUSA-N 0 3 357.498 3.104 20 30 FGEDHN CCN(CC)CCN(CC(=O)Nc1sc(C)c(C)c1C#N)CC(C)C ZINC000437833165 500702926 /nfs/dbraw/zinc/70/29/26/500702926.db2.gz KEPBKMYEOJFKEB-UHFFFAOYSA-N 0 3 364.559 3.475 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433952963 500770491 /nfs/dbraw/zinc/77/04/91/500770491.db2.gz YQRVVEHHPAFOJX-FQEVSTJZSA-N 0 3 354.498 3.497 20 30 FGEDHN CN(C)[C@@]1(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCSC1 ZINC000443910118 500777200 /nfs/dbraw/zinc/77/72/00/500777200.db2.gz TWKXAVMDXXBRBC-OAHLLOKOSA-N 0 3 372.416 3.136 20 30 FGEDHN Cc1cc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1C#N ZINC000443988642 500788183 /nfs/dbraw/zinc/78/81/83/500788183.db2.gz MIIPDDYSCAGLHS-FQEVSTJZSA-N 0 3 369.415 3.426 20 30 FGEDHN C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)N1[C@H](C)CC[C@@H]1C ZINC000444525232 500855613 /nfs/dbraw/zinc/85/56/13/500855613.db2.gz LAYQKDNJOXETRA-XHSDSOJGSA-N 0 3 374.916 3.122 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448924839 500871000 /nfs/dbraw/zinc/87/10/00/500871000.db2.gz ZWPJPPGQDSVVOT-UHFFFAOYSA-N 0 3 351.288 3.067 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@@H](N(C)CCCCC(C)(C)C#N)C2=O)c1 ZINC000444656668 500874613 /nfs/dbraw/zinc/87/46/13/500874613.db2.gz HJAVKIXOHCJGSL-LJQANCHMSA-N 0 3 373.497 3.461 20 30 FGEDHN CCO[C@@H]1C[C@@](CO)(NCC#Cc2ccc(OC(F)(F)F)cc2)C1(C)C ZINC000444798154 500902555 /nfs/dbraw/zinc/90/25/55/500902555.db2.gz FVNJPMBZJWHFLY-AEFFLSMTSA-N 0 3 371.399 3.092 20 30 FGEDHN C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000439574164 500914914 /nfs/dbraw/zinc/91/49/14/500914914.db2.gz UWOMPEBYMJUSPR-KKSFZXQISA-N 0 3 371.444 3.200 20 30 FGEDHN N#Cc1cccc(C2(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000435049874 500926865 /nfs/dbraw/zinc/92/68/65/500926865.db2.gz SWXRXMNWMUGKOH-UHFFFAOYSA-N 0 3 359.473 3.371 20 30 FGEDHN C[C@@H](CNC1(c2cccc(C#N)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449198996 500946234 /nfs/dbraw/zinc/94/62/34/500946234.db2.gz DVUOMRAKJNGRHJ-HNNXBMFYSA-N 0 3 354.475 3.344 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000435733909 501020202 /nfs/dbraw/zinc/02/02/02/501020202.db2.gz VIRMOVOBRYDYTA-YVEFUNNKSA-N 0 3 350.825 3.131 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(Oc2ccccn2)CC1 ZINC000440619034 501029483 /nfs/dbraw/zinc/02/94/83/501029483.db2.gz VYRFHZMYXTWPPF-LJQANCHMSA-N 0 3 368.477 3.093 20 30 FGEDHN Cn1cc(CN[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1C#N ZINC000449548649 501030264 /nfs/dbraw/zinc/03/02/64/501030264.db2.gz PHRKVLMTNQVXBT-OAHLLOKOSA-N 0 3 367.403 3.143 20 30 FGEDHN CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000445775904 501031203 /nfs/dbraw/zinc/03/12/03/501031203.db2.gz TUDZFIBEHBGTMZ-NRFANRHFSA-N 0 3 359.473 3.323 20 30 FGEDHN COc1cc(CNCCc2nc(-c3ccccn3)cs2)ccc1C#N ZINC000440823557 501053085 /nfs/dbraw/zinc/05/30/85/501053085.db2.gz ROBUJWFKICCCRW-UHFFFAOYSA-N 0 3 350.447 3.418 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C#N)oc1C)c1cccc(OC)c1 ZINC000436063399 501064146 /nfs/dbraw/zinc/06/41/46/501064146.db2.gz HLIJOIVNGQTFDN-IBGZPJMESA-N 0 3 355.438 3.281 20 30 FGEDHN C=C(C)COc1cc(CN[C@]2(CO)C[C@H](OCC)C2(C)C)ccc1OC ZINC000436375644 501116571 /nfs/dbraw/zinc/11/65/71/501116571.db2.gz BCIWPJWDOXPZMT-FPOVZHCZSA-N 0 3 363.498 3.306 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000441349876 501125297 /nfs/dbraw/zinc/12/52/97/501125297.db2.gz GNAUAYBLWFPILO-LPHOPBHVSA-N 0 3 354.498 3.351 20 30 FGEDHN Cn1c(C#N)ccc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000450024138 501156874 /nfs/dbraw/zinc/15/68/74/501156874.db2.gz PJOSQISCJUQCQA-QFIPXVFZSA-N 0 3 362.477 3.025 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1csnn1 ZINC000450746874 501199506 /nfs/dbraw/zinc/19/95/06/501199506.db2.gz RZITTZPZIMVRAJ-CYBMUJFWSA-N 0 3 364.544 3.197 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000447079638 501201825 /nfs/dbraw/zinc/20/18/25/501201825.db2.gz QBSQFHOYXULMLK-XNRPHZJLSA-N 0 3 362.271 3.226 20 30 FGEDHN COc1ccc(CN2CCCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000450230831 501215052 /nfs/dbraw/zinc/21/50/52/501215052.db2.gz HYAQLNBXFSWOGZ-UHFFFAOYSA-N 0 3 366.421 3.187 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000451412365 501286626 /nfs/dbraw/zinc/28/66/26/501286626.db2.gz AGNWSGZKQWIELI-HNNXBMFYSA-N 0 3 362.271 3.067 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419124 501288895 /nfs/dbraw/zinc/28/88/95/501288895.db2.gz NEBWYLDBRHWNDN-XGWTYTTDSA-N 0 3 361.873 3.164 20 30 FGEDHN C=CCCCCNC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000455400191 501292771 /nfs/dbraw/zinc/29/27/71/501292771.db2.gz KUEWXIRKUGDZRY-UHFFFAOYSA-N 0 3 372.513 3.265 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000455440389 501302710 /nfs/dbraw/zinc/30/27/10/501302710.db2.gz YJKAFZJXCLERPE-RTWAWAEBSA-N 0 3 371.525 3.070 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1(C)C ZINC000451487815 501304476 /nfs/dbraw/zinc/30/44/76/501304476.db2.gz FUUBLBGZVPJJGZ-RRQGHBQHSA-N 0 3 361.511 3.422 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000451682379 501350046 /nfs/dbraw/zinc/35/00/46/501350046.db2.gz RJHSMGJEXDDZGT-VSKRKVRLSA-N 0 3 364.489 3.410 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000451685962 501350601 /nfs/dbraw/zinc/35/06/01/501350601.db2.gz YWJAQBMVFSAKBG-MSOLQXFVSA-N 0 3 371.506 3.304 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451806719 501376538 /nfs/dbraw/zinc/37/65/38/501376538.db2.gz FNXVXLAYHWSZJW-JKSUJKDBSA-N 0 3 350.528 3.134 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(OC)c(F)c2OC)CC1 ZINC000455876631 501404674 /nfs/dbraw/zinc/40/46/74/501404674.db2.gz DBRJYJZZIJZBNP-UHFFFAOYSA-N 0 3 369.412 3.144 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CC#N)c1 ZINC000455921208 501416403 /nfs/dbraw/zinc/41/64/03/501416403.db2.gz OKZGUSLWAXOOAC-UHFFFAOYSA-N 0 3 361.449 3.220 20 30 FGEDHN C[C@H](NC1(CNC(=O)NCC(C)(C)CC#N)CCOCC1)c1ccccc1 ZINC000458363574 501427285 /nfs/dbraw/zinc/42/72/85/501427285.db2.gz DJCBFVZEWWIJMU-KRWDZBQOSA-N 0 3 372.513 3.125 20 30 FGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000452346369 501482799 /nfs/dbraw/zinc/48/27/99/501482799.db2.gz VCZUXCPJOJYLMG-IBGZPJMESA-N 0 3 357.473 3.356 20 30 FGEDHN C[C@@H]1CN(CCCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCCO1 ZINC000458707785 501511980 /nfs/dbraw/zinc/51/19/80/501511980.db2.gz BAXMOLFXDYQWNZ-QUCCMNQESA-N 0 3 372.513 3.222 20 30 FGEDHN C=CC(C)(C)CNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000458986418 501571901 /nfs/dbraw/zinc/57/19/01/501571901.db2.gz KDLSGXHWWQLMAA-HNNXBMFYSA-N 0 3 350.532 3.127 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000459028072 501579529 /nfs/dbraw/zinc/57/95/29/501579529.db2.gz NOIFSJUIOKIIQY-MDNKFWRPSA-N 0 3 357.498 3.197 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000459052745 501583741 /nfs/dbraw/zinc/58/37/41/501583741.db2.gz ZHLLKAIDSODQJG-PMXSJFBMSA-N 0 3 371.525 3.415 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(CCOCC3CCCC3)CC2)c1 ZINC000459363187 501639921 /nfs/dbraw/zinc/63/99/21/501639921.db2.gz RGZFVHKNSZZAMN-UHFFFAOYSA-N 0 3 355.482 3.416 20 30 FGEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000454879315 501648535 /nfs/dbraw/zinc/64/85/35/501648535.db2.gz YLNZMWPIQIIEJO-SFHVURJKSA-N 0 3 366.440 3.019 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454896800 501651293 /nfs/dbraw/zinc/65/12/93/501651293.db2.gz JAZFLCUBLMXBOO-JBACZVJFSA-N 0 3 371.525 3.131 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C1 ZINC000459486493 501662078 /nfs/dbraw/zinc/66/20/78/501662078.db2.gz UYFFURAMFBWPGS-IKGGRYGDSA-N 0 3 374.554 3.291 20 30 FGEDHN CN(Cc1c(C#N)cccc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000459499318 501664471 /nfs/dbraw/zinc/66/44/71/501664471.db2.gz AWJWPBBCZRQRCT-UHFFFAOYSA-N 0 3 370.375 3.315 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000454980900 501665824 /nfs/dbraw/zinc/66/58/24/501665824.db2.gz CQIHNEILRZTOKF-MOPGFXCFSA-N 0 3 359.470 3.016 20 30 FGEDHN CO[C@@H]1C[C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000459766781 501711108 /nfs/dbraw/zinc/71/11/08/501711108.db2.gz PTIKYEWXPWURLC-RBUKOAKNSA-N 0 3 355.482 3.097 20 30 FGEDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000459783710 501713229 /nfs/dbraw/zinc/71/32/29/501713229.db2.gz VTOZUYBYAIDQEC-MOPGFXCFSA-N 0 3 366.465 3.061 20 30 FGEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000481388108 501759048 /nfs/dbraw/zinc/75/90/48/501759048.db2.gz CYIKZFQVPGAZIY-RHSMWYFYSA-N 0 3 352.400 3.294 20 30 FGEDHN CN1CCO[C@H]([C@@H](NCCc2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000467435411 501793535 /nfs/dbraw/zinc/79/35/35/501793535.db2.gz YCNLYMITONNIOM-SFTDATJTSA-N 0 3 369.896 3.416 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2Br)cc1 ZINC000470798859 501807070 /nfs/dbraw/zinc/80/70/70/501807070.db2.gz RVGFPGLFZJMYPB-MRXNPFEDSA-N 0 3 368.234 3.319 20 30 FGEDHN Cc1cc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)ccc1C#N ZINC000470814297 501813107 /nfs/dbraw/zinc/81/31/07/501813107.db2.gz YQMITVMBQVGTNH-ROUUACIJSA-N 0 3 358.486 3.368 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000485487536 501835339 /nfs/dbraw/zinc/83/53/39/501835339.db2.gz GOJMPPIIPVFBHY-QGZVFWFLSA-N 0 3 373.566 3.205 20 30 FGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000470923181 501858024 /nfs/dbraw/zinc/85/80/24/501858024.db2.gz ITDVOTFWEIRDIA-OAQYLSRUSA-N 0 3 368.477 3.463 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(c3ccc(F)cc3F)CC2)cc1 ZINC000471090579 501916500 /nfs/dbraw/zinc/91/65/00/501916500.db2.gz JUOMIDPBLHFLJN-INIZCTEOSA-N 0 3 365.383 3.367 20 30 FGEDHN C=CCOc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1OC ZINC000478367860 501956812 /nfs/dbraw/zinc/95/68/12/501956812.db2.gz GFHOMESCQLEBRF-OALUTQOASA-N 0 3 366.461 3.088 20 30 FGEDHN C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCCC[C@H]1C ZINC000468249424 502004789 /nfs/dbraw/zinc/00/47/89/502004789.db2.gz IOEQYCFYITZXCV-HUUCEWRRSA-N 0 3 352.438 3.206 20 30 FGEDHN CCOC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000475132414 502072439 /nfs/dbraw/zinc/07/24/39/502072439.db2.gz VHRUCUDHXZUHIB-BTYIYWSLSA-N 0 3 352.434 3.190 20 30 FGEDHN COC(=O)c1cccc2c1CN(C(=O)C(C#N)CCc1ccccc1)CC2 ZINC000592884591 506292787 /nfs/dbraw/zinc/29/27/87/506292787.db2.gz GUIXCNXMHQSQDK-SFHVURJKSA-N 0 3 362.429 3.130 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCS[C@@H](C(C)C)C2)c(OC)c1 ZINC000464775406 502090674 /nfs/dbraw/zinc/09/06/74/502090674.db2.gz QTGPVWPAIPYSOZ-YLJYHZDGSA-N 0 3 365.539 3.237 20 30 FGEDHN CO[C@]1(CNCc2cccc(OCc3ccccc3C#N)c2)CCOC1 ZINC000461424029 502109033 /nfs/dbraw/zinc/10/90/33/502109033.db2.gz WEAOXKIABQXHQI-NRFANRHFSA-N 0 3 352.434 3.032 20 30 FGEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000486577757 502196173 /nfs/dbraw/zinc/19/61/73/502196173.db2.gz GIFBINMSMABULK-CQSZACIVSA-N 0 3 369.494 3.163 20 30 FGEDHN C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCC(C)CC1 ZINC000468921882 502230389 /nfs/dbraw/zinc/23/03/89/502230389.db2.gz IVTFRXZCXLQTBA-HNNXBMFYSA-N 0 3 352.438 3.063 20 30 FGEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468924852 502231754 /nfs/dbraw/zinc/23/17/54/502231754.db2.gz JXCOZDFYPDBIQX-OWCLPIDISA-N 0 3 366.465 3.309 20 30 FGEDHN Cc1cccc(N2CCN(CCC(=O)N(CCC#N)CCC(C)C)CC2)c1 ZINC000461995595 502267007 /nfs/dbraw/zinc/26/70/07/502267007.db2.gz CTTKWSGKTPYTRL-UHFFFAOYSA-N 0 3 370.541 3.296 20 30 FGEDHN COCCSc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000469035530 502272121 /nfs/dbraw/zinc/27/21/21/502272121.db2.gz PSPXWODMNJHVFN-CABCVRRESA-N 0 3 361.511 3.027 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000472308876 502308698 /nfs/dbraw/zinc/30/86/98/502308698.db2.gz BDQVSOAHWHHQIG-VQIMIIECSA-N 0 3 350.422 3.134 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)NCC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000465565149 502309233 /nfs/dbraw/zinc/30/92/33/502309233.db2.gz JIYDLEPLCTYFSR-AZUAARDMSA-N 0 3 367.518 3.482 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(C(F)F)CC2)c(OC)c1 ZINC000483517358 502418280 /nfs/dbraw/zinc/41/82/80/502418280.db2.gz SKRLJNJKLZLYAH-MRXNPFEDSA-N 0 3 355.425 3.141 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000483554018 502429143 /nfs/dbraw/zinc/42/91/43/502429143.db2.gz YDIAYASSMIACGW-GFCCVEGCSA-N 0 3 368.418 3.498 20 30 FGEDHN CN(CCN(Cc1ccccc1)C(=O)CSCC#N)Cc1ccccc1 ZINC000487409824 502437059 /nfs/dbraw/zinc/43/70/59/502437059.db2.gz HEICIAAKHNCTGP-UHFFFAOYSA-N 0 3 367.518 3.404 20 30 FGEDHN Cc1nc2sccn2c1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000469700246 502507466 /nfs/dbraw/zinc/50/74/66/502507466.db2.gz IYHBEVSSLXDCTA-MRXNPFEDSA-N 0 3 352.463 3.435 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2c(CC)cc(C)cc2CC)CC1 ZINC000483879472 502512159 /nfs/dbraw/zinc/51/21/59/502512159.db2.gz MPAAASMJJQVZEV-UHFFFAOYSA-N 0 3 371.525 3.215 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(CO)cc1 ZINC000483908347 502519716 /nfs/dbraw/zinc/51/97/16/502519716.db2.gz VQYFCJKYPICXTF-UHFFFAOYSA-N 0 3 372.538 3.277 20 30 FGEDHN C=CC[C@H](CC)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000466376363 502552170 /nfs/dbraw/zinc/55/21/70/502552170.db2.gz HETMMCFNLCZMEB-SCTDSRPQSA-N 0 3 351.535 3.262 20 30 FGEDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(C#N)c(C)c3)CC2)c(C)o1 ZINC000487870328 502552872 /nfs/dbraw/zinc/55/28/72/502552872.db2.gz IGWKFBRJVGLAEY-UHFFFAOYSA-N 0 3 351.450 3.471 20 30 FGEDHN C[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1-n1cccn1 ZINC000469969783 502613367 /nfs/dbraw/zinc/61/33/67/502613367.db2.gz RUPCLOXDYZRTFL-UZLBHIALSA-N 0 3 371.444 3.200 20 30 FGEDHN CN(C)CC1(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CCC1 ZINC000466586797 502616919 /nfs/dbraw/zinc/61/69/19/502616919.db2.gz KENRMQLWBOVDOR-UHFFFAOYSA-N 0 3 363.461 3.351 20 30 FGEDHN C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N1CCCC[C@@H]1C ZINC000466596966 502618831 /nfs/dbraw/zinc/61/88/31/502618831.db2.gz MQTNEJUBWRYKOM-JKSUJKDBSA-N 0 3 359.474 3.149 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1)C(C)C ZINC000470037025 502637336 /nfs/dbraw/zinc/63/73/36/502637336.db2.gz XFDGGNWPIGRMFV-VAMGGRTRSA-N 0 3 373.545 3.365 20 30 FGEDHN C=C(C)[C@@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1ccc(F)c(F)c1 ZINC000477040744 502657679 /nfs/dbraw/zinc/65/76/79/502657679.db2.gz PZXGHJGKMZGLJQ-SJLPKXTDSA-N 0 3 369.481 3.319 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCOc3c(F)ccc(F)c32)cc1 ZINC000463019606 502661010 /nfs/dbraw/zinc/66/10/10/502661010.db2.gz JNJOFNHMLYBMIQ-WMLDXEAASA-N 0 3 367.355 3.159 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2oc3ccccc3c2OC)CC1 ZINC000473710336 502682839 /nfs/dbraw/zinc/68/28/39/502682839.db2.gz NZQDVWUQJRJYPF-UHFFFAOYSA-N 0 3 357.454 3.281 20 30 FGEDHN CC1(C)[C@@H](O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000463222446 502724502 /nfs/dbraw/zinc/72/45/02/502724502.db2.gz LPORSDMJTNIVAB-INIZCTEOSA-N 0 3 361.511 3.062 20 30 FGEDHN C=C(CNC(=O)NCC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000481090781 502751987 /nfs/dbraw/zinc/75/19/87/502751987.db2.gz JXLQQMGTKRMXGW-UHFFFAOYSA-N 0 3 359.539 3.361 20 30 FGEDHN C=CCC[C@H](C(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000470476092 502789165 /nfs/dbraw/zinc/78/91/65/502789165.db2.gz XDVUZXISVYFJJO-NQIIRXRSSA-N 0 3 356.510 3.448 20 30 FGEDHN COc1cc(CN2CC[C@H](CO)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000488755982 502803264 /nfs/dbraw/zinc/80/32/64/502803264.db2.gz VAZGLGYVNNTJDU-OXQOHEQNSA-N 0 3 366.461 3.349 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnn(-c2ccccc2)c1)C(C)C ZINC000496028392 502870164 /nfs/dbraw/zinc/87/01/64/502870164.db2.gz LKNRNUXAKXKRMQ-HXUWFJFHSA-N 0 3 352.482 3.301 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)NCCSCc1ccccc1C#N ZINC000500861731 502881027 /nfs/dbraw/zinc/88/10/27/502881027.db2.gz CUTVEPNXEYRLGO-IBGZPJMESA-N 0 3 374.554 3.355 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000505394081 502897335 /nfs/dbraw/zinc/89/73/35/502897335.db2.gz FFNJGBAAVKOCNP-SFHVURJKSA-N 0 3 357.498 3.410 20 30 FGEDHN COc1ccccc1O[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000513391581 502923385 /nfs/dbraw/zinc/92/33/85/502923385.db2.gz DICURUIUVGKZBL-LJQANCHMSA-N 0 3 352.434 3.489 20 30 FGEDHN CC(C)(CNC(=O)Cc1c(F)cccc1C#N)N1CCc2ccccc2C1 ZINC000505616288 502951556 /nfs/dbraw/zinc/95/15/56/502951556.db2.gz ZJCZTIJZOQLFAE-UHFFFAOYSA-N 0 3 365.452 3.193 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000513536555 502961231 /nfs/dbraw/zinc/96/12/31/502961231.db2.gz LJDUQYVTPAREMZ-UHFFFAOYSA-N 0 3 357.454 3.444 20 30 FGEDHN Cc1nc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)ccc1C#N ZINC000501408101 503004336 /nfs/dbraw/zinc/00/43/36/503004336.db2.gz GBNDHINUCBYRGI-UHFFFAOYSA-N 0 3 366.490 3.105 20 30 FGEDHN CN(C(=O)c1cccc(F)c1C#N)c1ccc(OCCN2CCCC2)cc1 ZINC000489689157 503012363 /nfs/dbraw/zinc/01/23/63/503012363.db2.gz SGCOPENTGAOMRO-UHFFFAOYSA-N 0 3 367.424 3.449 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccccc1 ZINC000505954177 503019841 /nfs/dbraw/zinc/01/98/41/503019841.db2.gz MODAHAGAGIWZMC-HXUWFJFHSA-N 0 3 353.441 3.439 20 30 FGEDHN C[C@H]1C[C@H]1N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000489758556 503026822 /nfs/dbraw/zinc/02/68/22/503026822.db2.gz NTDCHVLIXDZQFJ-RAUXBKROSA-N 0 3 354.498 3.403 20 30 FGEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000489758554 503027036 /nfs/dbraw/zinc/02/70/36/503027036.db2.gz NTDCHVLIXDZQFJ-ONCXSQPRSA-N 0 3 354.498 3.403 20 30 FGEDHN CC(C)[C@H](CNC(=O)Cc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000501819695 503087144 /nfs/dbraw/zinc/08/71/44/503087144.db2.gz RSTIYLZQZABXJA-QFIPXVFZSA-N 0 3 361.489 3.300 20 30 FGEDHN CNC(=O)C1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000506312495 503091959 /nfs/dbraw/zinc/09/19/59/503091959.db2.gz MDWIMIYMHFZEQQ-UHFFFAOYSA-N 0 3 363.461 3.095 20 30 FGEDHN C=CCn1cccc1C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000490043964 503097250 /nfs/dbraw/zinc/09/72/50/503097250.db2.gz QRRSPGHTJHNORD-LJQANCHMSA-N 0 3 352.482 3.196 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000514213203 503114275 /nfs/dbraw/zinc/11/42/75/503114275.db2.gz IJKSIIHIDOJANN-ZIAGYGMSSA-N 0 3 372.538 3.403 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000506639298 503148046 /nfs/dbraw/zinc/14/80/46/503148046.db2.gz IUVBIJUZGRSRFP-NRFANRHFSA-N 0 3 361.445 3.408 20 30 FGEDHN N#CCCCCN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510930294 503219227 /nfs/dbraw/zinc/21/92/27/503219227.db2.gz IFWMMLRFBFORQM-UHFFFAOYSA-N 0 3 351.248 3.435 20 30 FGEDHN N#CC1(F)CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000510947507 503223130 /nfs/dbraw/zinc/22/31/30/503223130.db2.gz FAAJJLIGJMLCOJ-MRXNPFEDSA-N 0 3 351.425 3.483 20 30 FGEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000515328287 503315214 /nfs/dbraw/zinc/31/52/14/503315214.db2.gz QVOSUGAZFLAJRE-KBXCAEBGSA-N 0 3 352.413 3.482 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000507536040 503317041 /nfs/dbraw/zinc/31/70/41/503317041.db2.gz QKIKFHCVOLRICG-QAPCUYQASA-N 0 3 351.425 3.192 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593055686 506364781 /nfs/dbraw/zinc/36/47/81/506364781.db2.gz ZDQRMNPFGZSRRU-UHFFFAOYSA-N 0 3 355.335 3.253 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511562707 503343956 /nfs/dbraw/zinc/34/39/56/503343956.db2.gz NCFPQWVCBZMTNJ-KRWDZBQOSA-N 0 3 369.387 3.388 20 30 FGEDHN C[C@@H](C(=O)N1CCC(C)(C#N)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000507823429 503374908 /nfs/dbraw/zinc/37/49/08/503374908.db2.gz GBVPNAMIHYKXRI-SFHVURJKSA-N 0 3 353.510 3.482 20 30 FGEDHN CCCN(CC)C(=O)c1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511743110 503379190 /nfs/dbraw/zinc/37/91/90/503379190.db2.gz RNKGRNVEUHQZHR-SFHVURJKSA-N 0 3 364.449 3.456 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CCc1ccc(C#N)cc1 ZINC000499353982 503386351 /nfs/dbraw/zinc/38/63/51/503386351.db2.gz BGXPKSMGQNGNKM-UHFFFAOYSA-N 0 3 353.441 3.220 20 30 FGEDHN CC[C@@H]1CCCCN1CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000499677176 503455179 /nfs/dbraw/zinc/45/51/79/503455179.db2.gz AROSTFGGZSYGGI-QGZVFWFLSA-N 0 3 374.554 3.351 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000512160891 503472177 /nfs/dbraw/zinc/47/21/77/503472177.db2.gz ZLLJOCCZOUPEIT-NRFANRHFSA-N 0 3 365.452 3.314 20 30 FGEDHN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000582705915 506374306 /nfs/dbraw/zinc/37/43/06/506374306.db2.gz ISZLNOLBNGONLA-PGRDOPGGSA-N 0 3 350.462 3.295 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccco1 ZINC000503914592 503488006 /nfs/dbraw/zinc/48/80/06/503488006.db2.gz SQIDJVZSYGXQFF-MAUKXSAKSA-N 0 3 354.454 3.122 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000508453832 503497211 /nfs/dbraw/zinc/49/72/11/503497211.db2.gz WEWSLCISAWHHRE-FQEVSTJZSA-N 0 3 371.456 3.493 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494497894 503552376 /nfs/dbraw/zinc/55/23/76/503552376.db2.gz SWOOWZLPLSCOEA-YUFWVBKYSA-N 0 3 363.889 3.203 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN(CCO)[C@@H]1CCc2ccccc21 ZINC000494545785 503561148 /nfs/dbraw/zinc/56/11/48/503561148.db2.gz XMHNYBDAYZKRQZ-IFMALSPDSA-N 0 3 367.489 3.137 20 30 FGEDHN C[C@@H]1C[C@@H]1c1noc(CC2CCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000593077665 506379274 /nfs/dbraw/zinc/37/92/74/506379274.db2.gz NXXYUEDMFYMBOZ-BEFAXECRSA-N 0 3 366.465 3.398 20 30 FGEDHN C=CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCCC2)CC1 ZINC000508886406 503588662 /nfs/dbraw/zinc/58/86/62/503588662.db2.gz AJLMMAUMBCKQHC-UHFFFAOYSA-N 0 3 367.497 3.204 20 30 FGEDHN COc1cc(C[C@@H](CO)CN[C@@H](C)c2ccc(C#N)cc2F)cc(OC)c1 ZINC000512618930 503596694 /nfs/dbraw/zinc/59/66/94/503596694.db2.gz KMULZVSWYWBHIX-WMLDXEAASA-N 0 3 372.440 3.216 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000494703447 503596786 /nfs/dbraw/zinc/59/67/86/503596786.db2.gz NCOYHAKOCBBRPB-FQEVSTJZSA-N 0 3 370.541 3.339 20 30 FGEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000494741396 503603422 /nfs/dbraw/zinc/60/34/22/503603422.db2.gz WZNKJJYYRQBQHM-NDXORKPFSA-N 0 3 363.461 3.419 20 30 FGEDHN COc1cc(CN[C@@H](CCn2cncn2)c2ccc(C)cc2)ccc1C#N ZINC000516896365 503611249 /nfs/dbraw/zinc/61/12/49/503611249.db2.gz ITWISUXIXDCZRB-FQEVSTJZSA-N 0 3 361.449 3.388 20 30 FGEDHN C=CCn1c(CCc2ccco2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508998336 503615917 /nfs/dbraw/zinc/61/59/17/503615917.db2.gz CPCFBMFSLLPSBV-UHFFFAOYSA-N 0 3 371.529 3.401 20 30 FGEDHN N#Cc1ncn(CCNCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1 ZINC000512890095 503650588 /nfs/dbraw/zinc/65/05/88/503650588.db2.gz ICAWKDLVCCMANE-UHFFFAOYSA-N 0 3 361.327 3.218 20 30 FGEDHN C=CCOc1cccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000536645482 503656442 /nfs/dbraw/zinc/65/64/42/503656442.db2.gz CBVJUCLUBXOAJL-UHFFFAOYSA-N 0 3 356.388 3.142 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2cn(CC(C)C)nc2C(F)F)CC1 ZINC000540100727 503672266 /nfs/dbraw/zinc/67/22/66/503672266.db2.gz CPAGQPYFJRHHEO-UHFFFAOYSA-N 0 3 355.433 3.249 20 30 FGEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546225892 503677952 /nfs/dbraw/zinc/67/79/52/503677952.db2.gz ZOLSNMGHCURRPL-NRFANRHFSA-N 0 3 362.477 3.093 20 30 FGEDHN CC1(C)Oc2ccsc2[C@@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H]1O ZINC000517220665 503681119 /nfs/dbraw/zinc/68/11/19/503681119.db2.gz FWDJUCKGGZQGBU-KYJSFNMBSA-N 0 3 370.474 3.210 20 30 FGEDHN N#Cc1cnn2cc(CNCC3(Cc4cccc(Cl)c4)CC3)cnc12 ZINC000517236739 503688563 /nfs/dbraw/zinc/68/85/63/503688563.db2.gz NICCCYBDZZDZIG-UHFFFAOYSA-N 0 3 351.841 3.367 20 30 FGEDHN COC(=O)c1cc(CN(C)C(=O)C(C#N)CCc2ccccc2)oc1C ZINC000540194395 503702655 /nfs/dbraw/zinc/70/26/55/503702655.db2.gz HAZUDCWDEBDGIG-MRXNPFEDSA-N 0 3 354.406 3.106 20 30 FGEDHN C=C(CC)CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000540203017 503707657 /nfs/dbraw/zinc/70/76/57/503707657.db2.gz YAKRPHQZDZOQCU-ZDUSSCGKSA-N 0 3 352.276 3.461 20 30 FGEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000540397999 503758552 /nfs/dbraw/zinc/75/85/52/503758552.db2.gz LLKPPBPLMHPRNG-HOTGVXAUSA-N 0 3 351.512 3.238 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N([C@H]3C[C@H]3c3ccccc3)C1)CC2 ZINC000517631144 503790985 /nfs/dbraw/zinc/79/09/85/503790985.db2.gz LXNGOGCUBBBVBY-ZDFPQIBNSA-N 0 3 357.457 3.292 20 30 FGEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000543541476 503806064 /nfs/dbraw/zinc/80/60/64/503806064.db2.gz PNOLRYUWAWPHFQ-HYFFOGBASA-N 0 3 363.461 3.476 20 30 FGEDHN COC(=O)CC1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCCC1 ZINC000533391204 503828330 /nfs/dbraw/zinc/82/83/30/503828330.db2.gz ONYWDBBKWDXNOG-UHFFFAOYSA-N 0 3 363.845 3.006 20 30 FGEDHN C=CCc1cc(OCC)cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1[O-] ZINC000530104985 503838082 /nfs/dbraw/zinc/83/80/82/503838082.db2.gz MUEDPTGVXLPVSB-UHFFFAOYSA-N 0 3 374.525 3.206 20 30 FGEDHN CS(=O)(=O)Nc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000537229695 503850942 /nfs/dbraw/zinc/85/09/42/503850942.db2.gz RTXYTPFEFSTXAC-UHFFFAOYSA-N 0 3 373.478 3.030 20 30 FGEDHN CCNC(=O)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000543759333 503881995 /nfs/dbraw/zinc/88/19/95/503881995.db2.gz KPRFXYVFJXKUGZ-UHFFFAOYSA-N 0 3 362.477 3.384 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Cl)cc2OC)CC1 ZINC000518067420 503902772 /nfs/dbraw/zinc/90/27/72/503902772.db2.gz QZSQVBKLRFIIOF-UHFFFAOYSA-N 0 3 351.878 3.188 20 30 FGEDHN CN1C(=O)C[C@H](NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533639189 503910949 /nfs/dbraw/zinc/91/09/49/503910949.db2.gz XGOZBIFNDSQEGS-PKOBYXMFSA-N 0 3 357.816 3.412 20 30 FGEDHN CN1C(=O)C[C@H](NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533639186 503911160 /nfs/dbraw/zinc/91/11/60/503911160.db2.gz XGOZBIFNDSQEGS-HKUYNNGSSA-N 0 3 357.816 3.412 20 30 FGEDHN CC(C)COC1CCN(CC#CCN2CCC(OCC(C)C)CC2)CC1 ZINC000530360546 503937336 /nfs/dbraw/zinc/93/73/36/503937336.db2.gz MWZPTDNLCOKGMA-UHFFFAOYSA-N 0 3 364.574 3.264 20 30 FGEDHN N#Cc1ccc(C2(NCc3ccc4c(c3)OCCO4)CCOCC2)cc1 ZINC000527813111 503957123 /nfs/dbraw/zinc/95/71/23/503957123.db2.gz VVIFVNYPWPIJJB-UHFFFAOYSA-N 0 3 350.418 3.125 20 30 FGEDHN COc1ccccc1OCCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000537593865 503966344 /nfs/dbraw/zinc/96/63/44/503966344.db2.gz QSMLDAMNRZTZHX-UHFFFAOYSA-N 0 3 362.433 3.136 20 30 FGEDHN COc1cc(OC)cc(N2CCCN(Cc3ccc(CC#N)cc3)CC2)c1 ZINC000544143688 504025861 /nfs/dbraw/zinc/02/58/61/504025861.db2.gz HPYJZKWRFRPFLW-UHFFFAOYSA-N 0 3 365.477 3.482 20 30 FGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)N(CC)CC ZINC000547310040 504055356 /nfs/dbraw/zinc/05/53/56/504055356.db2.gz HOXSKHMSVIUUEB-LSDHHAIUSA-N 0 3 357.376 3.386 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)s1 ZINC000534314496 504107624 /nfs/dbraw/zinc/10/76/24/504107624.db2.gz YNKWKQDVLHMTSQ-INIZCTEOSA-N 0 3 369.490 3.452 20 30 FGEDHN C[C@H](CC[S@@](C)=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000538425866 504243642 /nfs/dbraw/zinc/24/36/42/504243642.db2.gz HJXICYXSJSJHSQ-PUAOIOHZSA-N 0 3 356.491 3.384 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000531291721 504253922 /nfs/dbraw/zinc/25/39/22/504253922.db2.gz HMWSALDKDOFBNX-JOCHJYFZSA-N 0 3 366.461 3.217 20 30 FGEDHN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000544815056 504267447 /nfs/dbraw/zinc/26/74/47/504267447.db2.gz UQLHNZXZGONNRW-INIZCTEOSA-N 0 3 350.422 3.085 20 30 FGEDHN CN(C)CCOc1ccc(-c2noc(CCc3ccc(C#N)cc3)n2)cc1 ZINC000544946119 504309096 /nfs/dbraw/zinc/30/90/96/504309096.db2.gz WGMILCLZDMBKKZ-UHFFFAOYSA-N 0 3 362.433 3.334 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](CO)C2CCCCC2)c1 ZINC000541984558 504324233 /nfs/dbraw/zinc/32/42/33/504324233.db2.gz OZMAZZSFTMZBLT-FQEVSTJZSA-N 0 3 357.498 3.081 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C)N(C[C@H](O)COc1ccc(C#N)cc1)[C@@H]2C ZINC000541988895 504326606 /nfs/dbraw/zinc/32/66/06/504326606.db2.gz CCDFDHRXFYCAKO-FCEWJHQRSA-N 0 3 366.461 3.314 20 30 FGEDHN CC1(N2CCOCC2)CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000528727746 504351499 /nfs/dbraw/zinc/35/14/99/504351499.db2.gz FQDZXYRVIJVKKD-UHFFFAOYSA-N 0 3 367.415 3.264 20 30 FGEDHN C=C(C)[C@H](CC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1)OCC ZINC000535150961 504355869 /nfs/dbraw/zinc/35/58/69/504355869.db2.gz JRXRLLYMYMVODG-BJLQDIEVSA-N 0 3 366.546 3.096 20 30 FGEDHN COC(=O)c1cccc(CN2CCCN(Cc3ccccc3)CC2)c1C#N ZINC000535217879 504375637 /nfs/dbraw/zinc/37/56/37/504375637.db2.gz BAULZRUWPOTDMT-UHFFFAOYSA-N 0 3 363.461 3.053 20 30 FGEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1OCC(=O)N(C)C ZINC000542255542 504425700 /nfs/dbraw/zinc/42/57/00/504425700.db2.gz JTCZOISEMIODGP-HXUWFJFHSA-N 0 3 365.477 3.461 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000542312907 504447390 /nfs/dbraw/zinc/44/73/90/504447390.db2.gz FXYGCPQVOIEHDN-SFTDATJTSA-N 0 3 355.482 3.097 20 30 FGEDHN CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)C(=O)CO3)n1 ZINC000528967307 504473684 /nfs/dbraw/zinc/47/36/84/504473684.db2.gz ZSMPQGMYNDXDPK-GFCCVEGCSA-N 0 3 355.419 3.112 20 30 FGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 ZINC000528967307 504473687 /nfs/dbraw/zinc/47/36/87/504473687.db2.gz ZSMPQGMYNDXDPK-GFCCVEGCSA-N 0 3 355.419 3.112 20 30 FGEDHN C[C@@H](NC(C)(C)CNC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000520497853 504513959 /nfs/dbraw/zinc/51/39/59/504513959.db2.gz IKCKNMVWKWYHIR-MRXNPFEDSA-N 0 3 351.450 3.183 20 30 FGEDHN C=CCCOCCCCC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000539397206 504556650 /nfs/dbraw/zinc/55/66/50/504556650.db2.gz VVQVENWEWZMXCJ-OALUTQOASA-N 0 3 366.546 3.097 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCCCOc2ccc(Cl)cc2)CC1 ZINC000520703081 504560476 /nfs/dbraw/zinc/56/04/76/504560476.db2.gz ZMADLBBTRINDRW-UHFFFAOYSA-N 0 3 365.905 3.449 20 30 FGEDHN C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000548838384 504586511 /nfs/dbraw/zinc/58/65/11/504586511.db2.gz YDAHRLAYGIXKSJ-UHFFFAOYSA-N 0 3 366.513 3.289 20 30 FGEDHN COC(=O)c1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000539505142 504592430 /nfs/dbraw/zinc/59/24/30/504592430.db2.gz KDCWGYBSDUOLLX-SFHVURJKSA-N 0 3 367.424 3.243 20 30 FGEDHN C=CCn1c(CC2CC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000520896039 504605917 /nfs/dbraw/zinc/60/59/17/504605917.db2.gz DEBGTTOUGWKKDP-LJQANCHMSA-N 0 3 351.498 3.127 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCCN1CC ZINC000536037483 504614576 /nfs/dbraw/zinc/61/45/76/504614576.db2.gz YYYNYVKAEROWKS-PKOBYXMFSA-N 0 3 360.498 3.186 20 30 FGEDHN CC(C)N1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000532547024 504688472 /nfs/dbraw/zinc/68/84/72/504688472.db2.gz QRXWXERKBBGJRV-KRWDZBQOSA-N 0 3 374.554 3.293 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000536388221 504719841 /nfs/dbraw/zinc/71/98/41/504719841.db2.gz GEGLQCHYFOMRPP-OAHLLOKOSA-N 0 3 358.388 3.425 20 30 FGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000532647730 504723308 /nfs/dbraw/zinc/72/33/08/504723308.db2.gz VGPVLWRYZYXFMP-KRWDZBQOSA-N 0 3 371.481 3.331 20 30 FGEDHN CC(C)[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)N1CCCCC1 ZINC000521518831 504751612 /nfs/dbraw/zinc/75/16/12/504751612.db2.gz PBCWKJFNLYPRDT-OAQYLSRUSA-N 0 3 368.525 3.107 20 30 FGEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000559087031 504778503 /nfs/dbraw/zinc/77/85/03/504778503.db2.gz FDRRKWIKDCCXNR-XEKQOVJPSA-N 0 3 361.511 3.373 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2scc(C)c2C#N)cc1 ZINC000565164721 504813882 /nfs/dbraw/zinc/81/38/82/504813882.db2.gz UTTXJOWWXNWAHV-INIZCTEOSA-N 0 3 358.467 3.361 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C(F)(F)F ZINC000549560380 504849888 /nfs/dbraw/zinc/84/98/88/504849888.db2.gz KJPAVKFRRHOGKB-UHFFFAOYSA-N 0 3 370.419 3.220 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000549669814 504870545 /nfs/dbraw/zinc/87/05/45/504870545.db2.gz OUZPTSROKLPSNC-KRWDZBQOSA-N 0 3 354.502 3.001 20 30 FGEDHN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000549669475 504870604 /nfs/dbraw/zinc/87/06/04/504870604.db2.gz ISEPAUINZJNPGY-SFHVURJKSA-N 0 3 369.513 3.306 20 30 FGEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000549692031 504874736 /nfs/dbraw/zinc/87/47/36/504874736.db2.gz CZYVALAOQJWIKC-OKZBNKHCSA-N 0 3 359.518 3.016 20 30 FGEDHN C[C@]1(NC(=O)NCC2CCC(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000565839050 505002718 /nfs/dbraw/zinc/00/27/18/505002718.db2.gz VXWTURYKQZEPRZ-NGICGMGXSA-N 0 3 354.498 3.280 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562998072 505014958 /nfs/dbraw/zinc/01/49/58/505014958.db2.gz YVANKLBCYWBHGM-QGZVFWFLSA-N 0 3 374.462 3.146 20 30 FGEDHN CC1(C)CN(c2nccc(C#N)n2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000560243879 505027753 /nfs/dbraw/zinc/02/77/53/505027753.db2.gz QTTLAYAJFACUJC-HXUWFJFHSA-N 0 3 361.493 3.475 20 30 FGEDHN CSc1ccc([C@H](CNC(=O)c2cccc(F)c2C#N)N(C)C)cc1 ZINC000566016874 505055758 /nfs/dbraw/zinc/05/57/58/505055758.db2.gz FPLZFYYYNIEBJV-SFHVURJKSA-N 0 3 357.454 3.452 20 30 FGEDHN CN(C)CCOc1cccc(-c2noc(Cc3c(F)cccc3C#N)n2)c1 ZINC000566060833 505069084 /nfs/dbraw/zinc/06/90/84/505069084.db2.gz OLWHKBXVCPBYQQ-UHFFFAOYSA-N 0 3 366.396 3.279 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccccc2OC2CCC2)cc1 ZINC000566117662 505087572 /nfs/dbraw/zinc/08/75/72/505087572.db2.gz PHIHDODFHCMHSG-IBGZPJMESA-N 0 3 366.461 3.213 20 30 FGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000566140413 505095227 /nfs/dbraw/zinc/09/52/27/505095227.db2.gz ACWXJSDLDWCZEB-RBDMOPTHSA-N 0 3 374.488 3.092 20 30 FGEDHN CN1CC[C@@H]2CN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)C[C@@H]21 ZINC000560515095 505110861 /nfs/dbraw/zinc/11/08/61/505110861.db2.gz FBEJYMJDJUWTBY-CTNGQTDRSA-N 0 3 360.461 3.071 20 30 FGEDHN N#Cc1cc(NCC2CCN(Cc3cccs3)CC2)cc(N)c1[N+](=O)[O-] ZINC000557546011 505163525 /nfs/dbraw/zinc/16/35/25/505163525.db2.gz PAKINTTXWOMGMZ-UHFFFAOYSA-N 0 3 371.466 3.434 20 30 FGEDHN N#CC1(CN[C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 ZINC000563591289 505186156 /nfs/dbraw/zinc/18/61/56/505186156.db2.gz OYAKUFQAACOGES-JKSUJKDBSA-N 0 3 351.450 3.267 20 30 FGEDHN Cc1nc(SCC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000557639959 505190242 /nfs/dbraw/zinc/19/02/42/505190242.db2.gz IHVIXLJDRSRPPN-GUYCJALGSA-N 0 3 372.538 3.056 20 30 FGEDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)cc1OC ZINC000551417339 505221440 /nfs/dbraw/zinc/22/14/40/505221440.db2.gz AJSWTPQOHYWYBD-DNVCBOLYSA-N 0 3 352.434 3.077 20 30 FGEDHN CCSc1cccc(CNC[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000566674018 505240645 /nfs/dbraw/zinc/24/06/45/505240645.db2.gz MOIQUQBYCGCDKS-SFHVURJKSA-N 0 3 356.491 3.394 20 30 FGEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000561245944 505292354 /nfs/dbraw/zinc/29/23/54/505292354.db2.gz NWKYHJADELRYQE-DFQSSKMNSA-N 0 3 352.482 3.061 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551992158 505364638 /nfs/dbraw/zinc/36/46/38/505364638.db2.gz IZKPFMDRSLOMPE-SJORKVTESA-N 0 3 350.422 3.035 20 30 FGEDHN C=CCn1c(COCC)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000564383421 505401575 /nfs/dbraw/zinc/40/15/75/505401575.db2.gz SBOVQKSBQCNJRI-MSOLQXFVSA-N 0 3 369.513 3.100 20 30 FGEDHN Cc1ccc([C@H](CN[C@H]2CCc3ccc(C#N)cc32)N2CCOCC2)o1 ZINC000564431271 505418867 /nfs/dbraw/zinc/41/88/67/505418867.db2.gz BRNAXZCUGUBGQU-PMACEKPBSA-N 0 3 351.450 3.110 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1c(F)cccc1C#N)N(C)C ZINC000552184551 505423058 /nfs/dbraw/zinc/42/30/58/505423058.db2.gz XAZYMUDUWKPWLW-VFNWGFHPSA-N 0 3 353.441 3.356 20 30 FGEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000552258778 505443358 /nfs/dbraw/zinc/44/33/58/505443358.db2.gz XTLNOGBXRNJKMV-QKYBYQKWSA-N 0 3 371.525 3.370 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000564560627 505453968 /nfs/dbraw/zinc/45/39/68/505453968.db2.gz FMRPIJCFHIFOHO-CQSZACIVSA-N 0 3 351.410 3.499 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccccc2OC2CCCC2)cc1 ZINC000558731730 505477285 /nfs/dbraw/zinc/47/72/85/505477285.db2.gz IURWQENMBWYLLH-IBGZPJMESA-N 0 3 366.461 3.409 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)nc1 ZINC000555674302 505490225 /nfs/dbraw/zinc/49/02/25/505490225.db2.gz XZABZEYBUSWSSW-KRWDZBQOSA-N 0 3 350.470 3.499 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)nc1 ZINC000555674302 505490227 /nfs/dbraw/zinc/49/02/27/505490227.db2.gz XZABZEYBUSWSSW-KRWDZBQOSA-N 0 3 350.470 3.499 20 30 FGEDHN COc1ccccc1COC[C@@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000567694073 505538857 /nfs/dbraw/zinc/53/88/57/505538857.db2.gz HPGIHBQLCILKGS-PZJWPPBQSA-N 0 3 366.461 3.112 20 30 FGEDHN Cc1ccc(C[C@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000564855959 505540747 /nfs/dbraw/zinc/54/07/47/505540747.db2.gz ICDSKQNPNOTLEJ-KRWDZBQOSA-N 0 3 356.491 3.170 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCCC2)CC1 ZINC000558980086 505544137 /nfs/dbraw/zinc/54/41/37/505544137.db2.gz CJVWLHBZMASIIU-UHFFFAOYSA-N 0 3 366.513 3.289 20 30 FGEDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000567724556 505549938 /nfs/dbraw/zinc/54/99/38/505549938.db2.gz JDEHMHLZJMIRRL-CABCVRRESA-N 0 3 374.554 3.099 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)CN1Cc1ccccc1 ZINC000567776728 505562054 /nfs/dbraw/zinc/56/20/54/505562054.db2.gz LWOURISHYZRJKL-XLIONFOSSA-N 0 3 354.498 3.375 20 30 FGEDHN CN(Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599258534 506387873 /nfs/dbraw/zinc/38/78/73/506387873.db2.gz ICUHHPLCXQLCGV-OAHLLOKOSA-N 0 3 372.387 3.088 20 30 FGEDHN C[C@@H]1SCCN(C[C@@H](O)CC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000599301342 506403235 /nfs/dbraw/zinc/40/32/35/506403235.db2.gz CYAYEQUPKFRIOB-YTQUADARSA-N 0 3 360.523 3.236 20 30 FGEDHN CN(C)Cc1cccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c1 ZINC000596449291 506410123 /nfs/dbraw/zinc/41/01/23/506410123.db2.gz CMBVUDJTEORYJY-UHFFFAOYSA-N 0 3 369.494 3.035 20 30 FGEDHN CCOc1ccc(C2=CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000599341348 506419537 /nfs/dbraw/zinc/41/95/37/506419537.db2.gz IVIYHKLIVFEODN-HXUWFJFHSA-N 0 3 370.493 3.246 20 30 FGEDHN C=C(C)[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599367169 506429435 /nfs/dbraw/zinc/42/94/35/506429435.db2.gz BQBDMJHCNJXHMK-YJBOKZPZSA-N 0 3 350.409 3.243 20 30 FGEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)COc1ccccc1C#N ZINC000599395377 506441481 /nfs/dbraw/zinc/44/14/81/506441481.db2.gz HOEIMPADWQRNQT-RTBURBONSA-N 0 3 374.868 3.271 20 30 FGEDHN COCCOCc1cc(C#N)ccc1NC[C@H](c1cccs1)N(C)C ZINC000603276506 506473568 /nfs/dbraw/zinc/47/35/68/506473568.db2.gz NRJNMAVCCMNWRR-GOSISDBHSA-N 0 3 359.495 3.498 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)CCCC(=O)N2)C(C)C ZINC000603287722 506476451 /nfs/dbraw/zinc/47/64/51/506476451.db2.gz FBZCLAUONJXBDO-FQEVSTJZSA-N 0 3 369.509 3.390 20 30 FGEDHN CCOC(=O)c1ccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000589198029 506478762 /nfs/dbraw/zinc/47/87/62/506478762.db2.gz RNWYOCXYTCFJMQ-UHFFFAOYSA-N 0 3 367.449 3.082 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCc1ccc(C#N)cc1)N(C)C ZINC000596599760 506482126 /nfs/dbraw/zinc/48/21/26/506482126.db2.gz YMZKHXJCLWUVMB-LAUBAEHRSA-N 0 3 364.493 3.400 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000596608834 506487924 /nfs/dbraw/zinc/48/79/24/506487924.db2.gz KJGKKOVJUOGDDJ-MAUKXSAKSA-N 0 3 360.527 3.346 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)N2Cc3cccc(C#N)c3C2)N(C)C)cc1 ZINC000593295761 506519826 /nfs/dbraw/zinc/51/98/26/506519826.db2.gz PFLUNMOLIQFGPX-OAQYLSRUSA-N 0 3 362.477 3.449 20 30 FGEDHN CN(C)C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628195 506538292 /nfs/dbraw/zinc/53/82/92/506538292.db2.gz QEXZJQNXLNAKKK-CJNGLKHVSA-N 0 3 358.313 3.486 20 30 FGEDHN C[C@H]1[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)CCN1Cc1ccccc1 ZINC000593405589 506603690 /nfs/dbraw/zinc/60/36/90/506603690.db2.gz WLKSSYNDOUGCTA-HRAATJIYSA-N 0 3 360.461 3.246 20 30 FGEDHN C=CCN1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000593452890 506626910 /nfs/dbraw/zinc/62/69/10/506626910.db2.gz IYVMQGUJKVKUDJ-UHFFFAOYSA-N 0 3 350.503 3.045 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC(F)(F)CC2)cc1 ZINC000599790956 506639050 /nfs/dbraw/zinc/63/90/50/506639050.db2.gz OOSURBXTUFGKJD-LBPRGKRZSA-N 0 3 371.409 3.025 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2(C#N)CCCCC2)C1 ZINC000596861947 506642485 /nfs/dbraw/zinc/64/24/85/506642485.db2.gz SKODSXRXSBRKLR-LJQANCHMSA-N 0 3 354.498 3.376 20 30 FGEDHN C=CCNC(=O)[C@@H](C)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000603892368 506649988 /nfs/dbraw/zinc/64/99/88/506649988.db2.gz OCHNEASPKVRHKG-YLJYHZDGSA-N 0 3 372.509 3.126 20 30 FGEDHN N#Cc1nc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1Cl ZINC000593496628 506653961 /nfs/dbraw/zinc/65/39/61/506653961.db2.gz UQEBQXPMCXLSGV-MOPGFXCFSA-N 0 3 368.868 3.086 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830055 506663876 /nfs/dbraw/zinc/66/38/76/506663876.db2.gz PSHGTEJYDDRLDO-UHFFFAOYSA-N 0 3 369.425 3.305 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000589920909 506679344 /nfs/dbraw/zinc/67/93/44/506679344.db2.gz ASGKCAHKLAIVHG-MSOLQXFVSA-N 0 3 356.853 3.305 20 30 FGEDHN C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCN(C2CCC2)C1 ZINC000589923445 506679798 /nfs/dbraw/zinc/67/97/98/506679798.db2.gz FTELEMWMJNDITG-YWZLYKJASA-N 0 3 352.482 3.061 20 30 FGEDHN CSc1ccc([O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000596972605 506706022 /nfs/dbraw/zinc/70/60/22/506706022.db2.gz BWVZYIWYPYMHNQ-UHFFFAOYSA-N 0 3 369.490 3.190 20 30 FGEDHN C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)N1CCC[C@@H](C)C1 ZINC000609083013 506771712 /nfs/dbraw/zinc/77/17/12/506771712.db2.gz KZZVTGFSUUYCLL-CHWSQXEVSA-N 0 3 366.412 3.402 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)NCC3(C#N)CCCC3)cc2)CC1 ZINC000593782593 506773381 /nfs/dbraw/zinc/77/33/81/506773381.db2.gz NXCZMSMVFHVAKC-UHFFFAOYSA-N 0 3 354.498 3.031 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)CC2(C#N)CCCCC2)cc1 ZINC000597154179 506802521 /nfs/dbraw/zinc/80/25/21/506802521.db2.gz MSWGUEUCHVEFQA-UHFFFAOYSA-N 0 3 357.498 3.150 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609239975 506823547 /nfs/dbraw/zinc/82/35/47/506823547.db2.gz GMGHDOBLOMJSHH-HNAYVOBHSA-N 0 3 366.440 3.332 20 30 FGEDHN COC(=O)[C@H]1C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597217525 506841608 /nfs/dbraw/zinc/84/16/08/506841608.db2.gz DVFUMNQDSKGUNJ-KDURUIRLSA-N 0 3 350.418 3.178 20 30 FGEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000609379570 506870450 /nfs/dbraw/zinc/87/04/50/506870450.db2.gz WYCPALNSHXMVRB-UHFFFAOYSA-N 0 3 371.868 3.424 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)CC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000597278747 506875987 /nfs/dbraw/zinc/87/59/87/506875987.db2.gz SEYMXHJPHJSXGQ-AZUAARDMSA-N 0 3 369.509 3.208 20 30 FGEDHN CCOc1ccc(OC[C@@H](O)CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594031158 506895496 /nfs/dbraw/zinc/89/54/96/506895496.db2.gz XFVNCMNSBFTQCR-IBGZPJMESA-N 0 3 366.461 3.366 20 30 FGEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597322055 506895794 /nfs/dbraw/zinc/89/57/94/506895794.db2.gz YWULYLLMKZRTMN-MRXNPFEDSA-N 0 3 369.415 3.431 20 30 FGEDHN CC(C)OC(=O)C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000594047800 506906075 /nfs/dbraw/zinc/90/60/75/506906075.db2.gz ZJFBAJJXMNAFHN-OALUTQOASA-N 0 3 371.481 3.010 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000609566763 506924027 /nfs/dbraw/zinc/92/40/27/506924027.db2.gz LMGUXYPWCNQSHY-KRWDZBQOSA-N 0 3 363.461 3.453 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](Cc2ccncc2)C1 ZINC000613178524 506955301 /nfs/dbraw/zinc/95/53/01/506955301.db2.gz MARMVNCWJQIBTD-YTQCASCJSA-N 0 3 368.525 3.265 20 30 FGEDHN O=C(CN1CCC[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000590787970 506958754 /nfs/dbraw/zinc/95/87/54/506958754.db2.gz PFJRNOHTEUCYGJ-KRWDZBQOSA-N 0 3 350.384 3.048 20 30 FGEDHN Cc1csc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C#N ZINC000583761030 506958853 /nfs/dbraw/zinc/95/88/53/506958853.db2.gz DGDWNUQYASIWTJ-UHFFFAOYSA-N 0 3 367.478 3.396 20 30 FGEDHN CC(C)N(Cc1ccc(NC(=O)N2CC(C#N)C2)cc1)C[C@@H]1CCCCO1 ZINC000590826063 506983373 /nfs/dbraw/zinc/98/33/73/506983373.db2.gz UZAIVBOMIUTVNQ-FQEVSTJZSA-N 0 3 370.497 3.453 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597516273 506987138 /nfs/dbraw/zinc/98/71/38/506987138.db2.gz FVESPKMGSGCKIP-BFUOFWGJSA-N 0 3 355.388 3.087 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000594208404 507010461 /nfs/dbraw/zinc/01/04/61/507010461.db2.gz CXYXPZCSVSYSGM-UHFFFAOYSA-N 0 3 360.461 3.032 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594216144 507015477 /nfs/dbraw/zinc/01/54/77/507015477.db2.gz IYZWJPHXICNPNQ-SJORKVTESA-N 0 3 354.498 3.357 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594238868 507034915 /nfs/dbraw/zinc/03/49/15/507034915.db2.gz JRBYTGCHHGPLMF-IERDGZPVSA-N 0 3 360.461 3.104 20 30 FGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccccc1I ZINC000609921558 507049968 /nfs/dbraw/zinc/04/99/68/507049968.db2.gz MOBISJIBZXINAR-GWCFXTLKSA-N 0 3 354.191 3.114 20 30 FGEDHN CC(C)(C)c1ccc(C#N)c(NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000613425587 507081150 /nfs/dbraw/zinc/08/11/50/507081150.db2.gz CQPLEDHVAOPMAR-JOCHJYFZSA-N 0 3 364.493 3.300 20 30 FGEDHN CC[C@@H](C)Oc1cc(C)ccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600729446 507087382 /nfs/dbraw/zinc/08/73/82/507087382.db2.gz HAZBHRFUYLFNOV-IEBWSBKVSA-N 0 3 360.498 3.333 20 30 FGEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCCOc3c(Cl)cccc32)CCOCC1 ZINC000600731535 507088860 /nfs/dbraw/zinc/08/88/60/507088860.db2.gz MJGZGXJGVGVWNW-RHSMWYFYSA-N 0 3 364.873 3.215 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594356122 507091376 /nfs/dbraw/zinc/09/13/76/507091376.db2.gz GYIRTGLUICBELI-IERDGZPVSA-N 0 3 365.477 3.165 20 30 FGEDHN CC[C@H](CCc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000600755577 507102145 /nfs/dbraw/zinc/10/21/45/507102145.db2.gz GCKHUFBJPJBIEG-LJQANCHMSA-N 0 3 356.491 3.333 20 30 FGEDHN COC(=O)[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)Cc2ccccc21 ZINC000600763796 507107315 /nfs/dbraw/zinc/10/73/15/507107315.db2.gz PIOHKJWNXPRMDC-FXAWDEMLSA-N 0 3 362.429 3.058 20 30 FGEDHN COc1ccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1Br ZINC000594424916 507125584 /nfs/dbraw/zinc/12/55/84/507125584.db2.gz DQQKSHBUNFDFKB-FZMZJTMJSA-N 0 3 368.275 3.046 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000594428255 507127911 /nfs/dbraw/zinc/12/79/11/507127911.db2.gz LVDVFAOTHYPXJQ-SFHVURJKSA-N 0 3 350.422 3.289 20 30 FGEDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@H](N)CCCCC#N ZINC000594431734 507129394 /nfs/dbraw/zinc/12/93/94/507129394.db2.gz QOQXNPYTXLZMFO-GOSISDBHSA-N 0 3 371.460 3.018 20 30 FGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000594430653 507129662 /nfs/dbraw/zinc/12/96/62/507129662.db2.gz AKTKEKJJUMRQNL-DOMZBBRYSA-N 0 3 357.376 3.216 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000594439236 507133708 /nfs/dbraw/zinc/13/37/08/507133708.db2.gz OUDDUYMSHQQPPM-HOTGVXAUSA-N 0 3 351.397 3.193 20 30 FGEDHN COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H](N)CCCCC#N)CC3)c2c1 ZINC000594454226 507141258 /nfs/dbraw/zinc/14/12/58/507141258.db2.gz UXLBBXOJQHMPHN-LJQANCHMSA-N 0 3 366.465 3.203 20 30 FGEDHN N#Cc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)c2ccccc2n1 ZINC000610278784 507174855 /nfs/dbraw/zinc/17/48/55/507174855.db2.gz FXLPGWAYVQLSOM-UHFFFAOYSA-N 0 3 372.472 3.097 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000584151519 507180032 /nfs/dbraw/zinc/18/00/32/507180032.db2.gz YEOZETWVKFRQSM-JEDBISTDSA-N 0 3 373.472 3.254 20 30 FGEDHN C[C@H](NC(=O)NCCCN(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610347432 507204088 /nfs/dbraw/zinc/20/40/88/507204088.db2.gz ODWSOAZJZAOKSD-KRWDZBQOSA-N 0 3 350.466 3.441 20 30 FGEDHN CC(C)(C)O[C@@H]1C[C@@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C12CCC2 ZINC000594717400 507252213 /nfs/dbraw/zinc/25/22/13/507252213.db2.gz KIYKNELEMPTTOG-ARFHVFGLSA-N 0 3 373.522 3.441 20 30 FGEDHN C[C@H](COc1c(F)cccc1F)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598153453 507282854 /nfs/dbraw/zinc/28/28/54/507282854.db2.gz KUCIWONGGUFXCS-CZUORRHYSA-N 0 3 369.371 3.102 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000598194319 507305751 /nfs/dbraw/zinc/30/57/51/507305751.db2.gz FJSQAMVETXDLJS-LJQANCHMSA-N 0 3 351.425 3.086 20 30 FGEDHN CS(=O)(=O)Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594926219 507317271 /nfs/dbraw/zinc/31/72/71/507317271.db2.gz NRMFPJNJZFCUBJ-UHFFFAOYSA-N 0 3 354.475 3.076 20 30 FGEDHN N#Cc1ccc(CN2CC[C@@H](NCc3cc4ccncc4s3)C2=O)cc1 ZINC000594940934 507322881 /nfs/dbraw/zinc/32/28/81/507322881.db2.gz VUWPGAIGYVDPTQ-GOSISDBHSA-N 0 3 362.458 3.059 20 30 FGEDHN CN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000584411133 507330651 /nfs/dbraw/zinc/33/06/51/507330651.db2.gz KVXQAJZLNBDYAF-MOPGFXCFSA-N 0 3 365.412 3.092 20 30 FGEDHN N#Cc1ccc(CCNCc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000594956670 507331180 /nfs/dbraw/zinc/33/11/80/507331180.db2.gz YKSZOBIFHUWLPJ-UHFFFAOYSA-N 0 3 355.869 3.381 20 30 FGEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000591741437 507344518 /nfs/dbraw/zinc/34/45/18/507344518.db2.gz KAYINAYEKUZWML-UHFFFAOYSA-N 0 3 356.491 3.190 20 30 FGEDHN CO[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)C1CCCC1 ZINC000594994014 507345033 /nfs/dbraw/zinc/34/50/33/507345033.db2.gz JHXJSYVNFNWXIA-IBGZPJMESA-N 0 3 353.470 3.154 20 30 FGEDHN C=CC[C@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000591770840 507353418 /nfs/dbraw/zinc/35/34/18/507353418.db2.gz PTHBKAHCSKOCQZ-LJQANCHMSA-N 0 3 354.475 3.109 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000598300377 507364427 /nfs/dbraw/zinc/36/44/27/507364427.db2.gz FXFNMGLTBAFOCM-VQTJNVASSA-N 0 3 351.450 3.048 20 30 FGEDHN N#CC1(CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CCCCC1 ZINC000598306853 507369767 /nfs/dbraw/zinc/36/97/67/507369767.db2.gz CXFBADOWGFIXKY-UHFFFAOYSA-N 0 3 369.509 3.095 20 30 FGEDHN N#Cc1ccc(CCN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000595315731 507457687 /nfs/dbraw/zinc/45/76/87/507457687.db2.gz SEAHBQMLFMUMCJ-UHFFFAOYSA-N 0 3 359.271 3.397 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ccc(Br)cc2F)CC1 ZINC000592068996 507474625 /nfs/dbraw/zinc/47/46/25/507474625.db2.gz BVFYJAGADIKHTJ-UHFFFAOYSA-N 0 3 369.278 3.287 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1cccc(OC)c1 ZINC000595440343 507497912 /nfs/dbraw/zinc/49/79/12/507497912.db2.gz ITFWHYDFQURDFN-PXNSSMCTSA-N 0 3 372.513 3.413 20 30 FGEDHN CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@@H]1C ZINC000611092294 507513203 /nfs/dbraw/zinc/51/32/03/507513203.db2.gz OBPSLYCRJDNNEN-GJZGRUSLSA-N 0 3 374.554 3.099 20 30 FGEDHN CC(C)(C)OC(=O)C1(C)CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000592160847 507516493 /nfs/dbraw/zinc/51/64/93/507516493.db2.gz WLFHDLJRRLCJKJ-UHFFFAOYSA-N 0 3 371.481 3.331 20 30 FGEDHN COc1ccc(CN(CCc2ccccn2)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598610213 507517740 /nfs/dbraw/zinc/51/77/40/507517740.db2.gz GFUVWQAXCNEXNS-FQEVSTJZSA-N 0 3 367.493 3.436 20 30 FGEDHN Cc1ccc(C2(NC[C@@H](O)COc3ccc(CC#N)cc3)CCC2)cc1 ZINC000592189802 507531529 /nfs/dbraw/zinc/53/15/29/507531529.db2.gz WKKCBHUFBSPMOC-HXUWFJFHSA-N 0 3 350.462 3.470 20 30 FGEDHN C[C@@](O)(C[C@@H](O)CNCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000601964166 507532687 /nfs/dbraw/zinc/53/26/87/507532687.db2.gz HEJGPYSREFYQPK-IFMALSPDSA-N 0 3 350.462 3.227 20 30 FGEDHN CC(C)n1cc(C2=CCCN(CCOc3ccccc3C#N)CC2)nn1 ZINC000595516968 507540155 /nfs/dbraw/zinc/54/01/55/507540155.db2.gz RDWJFLUVZUXEOE-UHFFFAOYSA-N 0 3 351.454 3.289 20 30 FGEDHN Cc1noc([C@@H]2CC[C@H](CNCc3ccc(C#N)cc3C(F)(F)F)O2)n1 ZINC000584867581 507547580 /nfs/dbraw/zinc/54/75/80/507547580.db2.gz FSPLRJLANIRDJP-HIFRSBDPSA-N 0 3 366.343 3.278 20 30 FGEDHN COc1cccc(Oc2ccc(CNC[C@@H](O)CC(C)(C)C#N)cn2)c1 ZINC000598715106 507565098 /nfs/dbraw/zinc/56/50/98/507565098.db2.gz NDCGWDMVBCISLU-INIZCTEOSA-N 0 3 355.438 3.273 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(OC(C)C)cc2)CC1 ZINC000592293835 507598493 /nfs/dbraw/zinc/59/84/93/507598493.db2.gz KURDLOHUOQBCPX-UHFFFAOYSA-N 0 3 359.514 3.356 20 30 FGEDHN N#Cc1ccc(CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000595686231 507627629 /nfs/dbraw/zinc/62/76/29/507627629.db2.gz UFDHQRYQOBOLGN-OAQYLSRUSA-N 0 3 362.477 3.237 20 30 FGEDHN COc1ccc([C@@H](CCn2cncn2)NCc2ccc(CC#N)cc2)cc1 ZINC000592391445 507635598 /nfs/dbraw/zinc/63/55/98/507635598.db2.gz QCXUZBOQLXKGJZ-OAQYLSRUSA-N 0 3 361.449 3.274 20 30 FGEDHN CCCN(Cc1cccc(C#N)n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000602469427 507718336 /nfs/dbraw/zinc/71/83/36/507718336.db2.gz RZIXLDSCYIELNC-UHFFFAOYSA-N 0 3 364.497 3.241 20 30 FGEDHN N#CC(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc2ccccc2n1 ZINC000611521778 507721183 /nfs/dbraw/zinc/72/11/83/507721183.db2.gz AWVRZYXHENOVTF-ZDUSSCGKSA-N 0 3 361.313 3.362 20 30 FGEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccnc(C#N)c1 ZINC000611533419 507726112 /nfs/dbraw/zinc/72/61/12/507726112.db2.gz SBTWJFISJAOPLR-UHFFFAOYSA-N 0 3 350.344 3.314 20 30 FGEDHN N#Cc1cccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000602513891 507733685 /nfs/dbraw/zinc/73/36/85/507733685.db2.gz GDGLOPSSGOONQW-UHFFFAOYSA-N 0 3 361.371 3.126 20 30 FGEDHN CN(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602550370 507745513 /nfs/dbraw/zinc/74/55/13/507745513.db2.gz BKDAPWAYPOKVNZ-HOTGVXAUSA-N 0 3 371.312 3.124 20 30 FGEDHN Cc1ccc(CN(CC2CC2)C(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000592681123 507762141 /nfs/dbraw/zinc/76/21/41/507762141.db2.gz IJCNWQOGOPRINC-OAQYLSRUSA-N 0 3 358.445 3.383 20 30 FGEDHN CC[C@@H](CSC)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328639261 522596782 /nfs/dbraw/zinc/59/67/82/522596782.db2.gz WUZQRAMAELJWKS-ULQDDVLXSA-N 0 3 350.532 3.062 20 30 FGEDHN CC[NH+](CC)Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737087530 600591148 /nfs/dbraw/zinc/59/11/48/600591148.db2.gz HDLVQVKZEFVMJZ-FQEVSTJZSA-N 0 3 351.450 3.316 20 30 FGEDHN CC[NH+](CC)Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737087533 600591188 /nfs/dbraw/zinc/59/11/88/600591188.db2.gz HDLVQVKZEFVMJZ-HXUWFJFHSA-N 0 3 351.450 3.316 20 30 FGEDHN CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736457231 600592905 /nfs/dbraw/zinc/59/29/05/600592905.db2.gz FKFMAUIIQMGOKO-FQEVSTJZSA-N 0 3 351.450 3.314 20 30 FGEDHN CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736457231 600592907 /nfs/dbraw/zinc/59/29/07/600592907.db2.gz FKFMAUIIQMGOKO-FQEVSTJZSA-N 0 3 351.450 3.314 20 30 FGEDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722611 601043306 /nfs/dbraw/zinc/04/33/06/601043306.db2.gz FZRVWQOVGPQRTD-FPOVZHCZSA-N 0 3 363.461 3.138 20 30 FGEDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722611 601043309 /nfs/dbraw/zinc/04/33/09/601043309.db2.gz FZRVWQOVGPQRTD-FPOVZHCZSA-N 0 3 363.461 3.138 20 30 FGEDHN N#CC(C(=O)CCc1ccccc1Br)C(=O)NC1CCCC1 ZINC000051653862 695914226 /nfs/dbraw/zinc/91/42/26/695914226.db2.gz YIRKNCYLDRNQIE-CQSZACIVSA-N 0 3 363.255 3.149 20 30 FGEDHN CCOCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000105758192 700504622 /nfs/dbraw/zinc/50/46/22/700504622.db2.gz NTFVNVKYVAGGPK-YGRLFVJLSA-N 0 3 373.236 3.082 20 30 FGEDHN CCOCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000105757925 700504632 /nfs/dbraw/zinc/50/46/32/700504632.db2.gz FUIICIJUSAUUFW-JQWIXIFHSA-N 0 3 373.236 3.082 20 30 FGEDHN C#CCCOc1ccc(CNCCCS(=O)(=O)c2ccccc2)cc1 ZINC000113329356 700570846 /nfs/dbraw/zinc/57/08/46/700570846.db2.gz KLNALQJPWVKSKX-UHFFFAOYSA-N 0 3 357.475 3.042 20 30 FGEDHN Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125135134 700730863 /nfs/dbraw/zinc/73/08/63/700730863.db2.gz LBGHJSZJRGWQSN-OCCSQVGLSA-N 0 3 357.797 3.158 20 30 FGEDHN Cc1cc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)ccc1Cl ZINC000125229235 700732624 /nfs/dbraw/zinc/73/26/24/700732624.db2.gz NCMZVQZTYJJVFX-GXTWGEPZSA-N 0 3 357.797 3.158 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000125799158 700740068 /nfs/dbraw/zinc/74/00/68/700740068.db2.gz DYFOJPMDHWFEAV-UHFFFAOYSA-N 0 3 365.264 3.397 20 30 FGEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000127898140 700768016 /nfs/dbraw/zinc/76/80/16/700768016.db2.gz WJDLCUBPYYFFER-NSHDSACASA-N 0 3 368.245 3.114 20 30 FGEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000156090854 705100808 /nfs/dbraw/zinc/10/08/08/705100808.db2.gz NRZBHCWHLMKVTO-MRVPVSSYSA-N 0 3 368.739 3.422 20 30 FGEDHN C=C(Br)CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176007677 705567719 /nfs/dbraw/zinc/56/77/19/705567719.db2.gz IDUFQLZMKDRKFH-UHFFFAOYSA-N 0 3 366.303 3.201 20 30 FGEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000177601696 705629903 /nfs/dbraw/zinc/62/99/03/705629903.db2.gz FIIPKMVXTZNGAA-LLVKDONJSA-N 0 3 364.810 3.380 20 30 FGEDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000615806912 714550440 /nfs/dbraw/zinc/55/04/40/714550440.db2.gz RJNBCNVXKYLUIP-GOEBONIOSA-N 0 3 356.388 3.155 20 30 FGEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(NS(C)(=O)=O)c1 ZINC000618805701 714779979 /nfs/dbraw/zinc/77/99/79/714779979.db2.gz OZKLEJHQKIATJJ-ORAYPTAESA-N 0 3 355.463 3.268 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccnc(SC)c1 ZINC000779196988 724399359 /nfs/dbraw/zinc/39/93/59/724399359.db2.gz KJPMSKROYVJQEK-CYBMUJFWSA-N 0 3 355.419 3.163 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2C(C)C)CC1 ZINC000627366221 716019881 /nfs/dbraw/zinc/01/98/81/716019881.db2.gz LOOBZWVFKPRRAC-UHFFFAOYSA-N 0 3 363.889 3.169 20 30 FGEDHN C=CCCCN(C)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790446783 723141529 /nfs/dbraw/zinc/14/15/29/723141529.db2.gz PUYNEYFISXJXNH-UHFFFAOYSA-N 0 3 366.259 3.441 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C)nc1 ZINC000655470847 719295977 /nfs/dbraw/zinc/29/59/77/719295977.db2.gz QSJJTYMXGXFQTP-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN N#Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164900006 721515389 /nfs/dbraw/zinc/51/53/89/721515389.db2.gz MZZYHFPPJUYQHN-ZBFHGGJFSA-N 0 3 372.831 3.088 20 30 FGEDHN C=CCOCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000679477137 722029239 /nfs/dbraw/zinc/02/92/39/722029239.db2.gz PABDXMDTFFMGHV-MRXNPFEDSA-N 0 3 351.516 3.023 20 30 FGEDHN C=CCN1CCC(NC(=S)Nc2cc(OCC)ccc2OCC)CC1 ZINC000729941832 722463597 /nfs/dbraw/zinc/46/35/97/722463597.db2.gz DPAJDQKYMBKYBL-UHFFFAOYSA-N 0 3 363.527 3.421 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)Cc1ccccc1O ZINC000732203373 722482367 /nfs/dbraw/zinc/48/23/67/722482367.db2.gz RIWDLISYBFSICI-CQSZACIVSA-N 0 3 351.431 3.310 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccn(C(C)C)n2)cc1Cl ZINC000733679276 722500060 /nfs/dbraw/zinc/50/00/60/722500060.db2.gz FNMBNDOXNGNMDF-GFCCVEGCSA-N 0 3 360.801 3.087 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)n2cccc2)cc1Cl ZINC000735206085 722513346 /nfs/dbraw/zinc/51/33/46/722513346.db2.gz IXZSNMWMJHHWPD-GXTWGEPZSA-N 0 3 359.813 3.449 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000750684780 722777632 /nfs/dbraw/zinc/77/76/32/722777632.db2.gz UTFHXEPKXAACQH-BXKDBHETSA-N 0 3 365.220 3.178 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccc2[nH]c(=O)oc21 ZINC000752477824 722858723 /nfs/dbraw/zinc/85/87/23/722858723.db2.gz LEXSJIVNTWPPBF-GFCCVEGCSA-N 0 3 355.737 3.148 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000752477824 722858725 /nfs/dbraw/zinc/85/87/25/722858725.db2.gz LEXSJIVNTWPPBF-GFCCVEGCSA-N 0 3 355.737 3.148 20 30 FGEDHN C[C@H](C#N)CN(Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000753978074 722921353 /nfs/dbraw/zinc/92/13/53/722921353.db2.gz VADULBJQTMQXRO-GFCCVEGCSA-N 0 3 360.255 3.346 20 30 FGEDHN CN(C)Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)cc1 ZINC000790040192 723097923 /nfs/dbraw/zinc/09/79/23/723097923.db2.gz ULPMKTNKNQMZIZ-UHFFFAOYSA-N 0 3 350.827 3.041 20 30 FGEDHN C#C[C@H](CCC)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000791744958 723276945 /nfs/dbraw/zinc/27/69/45/723276945.db2.gz FBZIMSBSJBBYRK-AEFFLSMTSA-N 0 3 352.400 3.359 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=S)Nc1ccccc1C#N ZINC000764930623 723460553 /nfs/dbraw/zinc/46/05/53/723460553.db2.gz MSGRNXCZVNMHDL-HNAYVOBHSA-N 0 3 350.491 3.365 20 30 FGEDHN C=CCn1c(=S)n(CN2CC[C@H](N3CC=CC3)C2)nc1-c1cccs1 ZINC000765035066 723471792 /nfs/dbraw/zinc/47/17/92/723471792.db2.gz JZLOHSHQDJXJTD-HNNXBMFYSA-N 0 3 373.551 3.232 20 30 FGEDHN C#CCOc1cccc(Cl)c1CNC1CCN(C(=O)OC(C)C)CC1 ZINC000778170217 724306021 /nfs/dbraw/zinc/30/60/21/724306021.db2.gz MEVUAVIWYXOYOQ-UHFFFAOYSA-N 0 3 364.873 3.451 20 30 FGEDHN CC(=O)N[C@H](CC1CCC1)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000786403004 724977851 /nfs/dbraw/zinc/97/78/51/724977851.db2.gz SODGRJXXQBNXPD-UKRRQHHQSA-N 0 3 359.426 3.307 20 30 FGEDHN N#CC(C(=O)Cc1c(F)cccc1F)C(=O)NCc1cccc(Cl)c1 ZINC000786534455 724987399 /nfs/dbraw/zinc/98/73/99/724987399.db2.gz LHFYGUNVXIJQOP-AWEZNQCLSA-N 0 3 362.763 3.186 20 30 FGEDHN N#CC(C(=O)CCCc1cccs1)C(=O)NCc1ccc(F)cc1F ZINC000786559623 724988755 /nfs/dbraw/zinc/98/87/55/724988755.db2.gz ISKQPUAHFSKBIS-OAHLLOKOSA-N 0 3 362.401 3.374 20 30 FGEDHN Cc1nc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)sc1SCC#N ZINC000809611971 725252281 /nfs/dbraw/zinc/25/22/81/725252281.db2.gz RUYKIHAYUKJGSM-OLZOCXBDSA-N 0 3 373.459 3.310 20 30 FGEDHN C#CCN(C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000812013819 725387376 /nfs/dbraw/zinc/38/73/76/725387376.db2.gz CIWJDBIJYPFQSG-INIZCTEOSA-N 0 3 355.404 3.363 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(Cl)cc2)OC)CC1 ZINC000813063235 726834844 /nfs/dbraw/zinc/83/48/44/726834844.db2.gz NQMGQCJXFDRMKJ-UHFFFAOYSA-N 0 3 351.878 3.454 20 30 FGEDHN CC(C)(C)OC(=O)NC(=CNNc1ncccc1F)CC(F)(F)F ZINC000814927331 727012003 /nfs/dbraw/zinc/01/20/03/727012003.db2.gz ILKVMRSBAQKENY-VIFPVBQESA-N 0 3 350.316 3.464 20 30 FGEDHN C#Cc1ccccc1CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000819334569 727368269 /nfs/dbraw/zinc/36/82/69/727368269.db2.gz BDSHAUSEINBDDG-HXUWFJFHSA-N 0 3 352.503 3.351 20 30 FGEDHN C#C[C@H](NC(=O)N(CCC)[C@H]1CCN(C)C1)c1ccc(Cl)cc1F ZINC000820756224 729027290 /nfs/dbraw/zinc/02/72/90/729027290.db2.gz ZXKMBLXEDOQTMB-YOEHRIQHSA-N 0 3 351.853 3.279 20 30 FGEDHN N#CC(C(=O)C[C@@H]1CSc2ccccc2O1)C(=O)NC1CCCCC1 ZINC000835062436 729854374 /nfs/dbraw/zinc/85/43/74/729854374.db2.gz UKUWALLCCZDLFH-CABCVRRESA-N 0 3 358.463 3.088 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000836288227 729950798 /nfs/dbraw/zinc/95/07/98/729950798.db2.gz NNBODOSWNKRRCK-OAHLLOKOSA-N 0 3 356.495 3.125 20 30 FGEDHN C#C[C@@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000847158513 731027301 /nfs/dbraw/zinc/02/73/01/731027301.db2.gz QEIFYFCRGZDNAG-QGZVFWFLSA-N 0 3 357.523 3.155 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848351493 731158277 /nfs/dbraw/zinc/15/82/77/731158277.db2.gz DOTIDZAGFYLWBT-SJORKVTESA-N 0 3 350.384 3.190 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848553756 731180840 /nfs/dbraw/zinc/18/08/40/731180840.db2.gz QINCAGKNQRJGLT-SUNKGSAMSA-N 0 3 356.260 3.405 20 30 FGEDHN COC(=O)/C=C\c1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000848891394 731218191 /nfs/dbraw/zinc/21/81/91/731218191.db2.gz RAOQZOQNEFQPRC-HJWRWDBZSA-N 0 3 356.447 3.360 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000850758646 731385611 /nfs/dbraw/zinc/38/56/11/731385611.db2.gz BXYTWEMAKPBROZ-YNEHKIRRSA-N 0 3 364.829 3.120 20 30 FGEDHN CCCCCCCCc1nnc(NC(=O)[C@H]2NCC23CCOCC3)s1 ZINC000852787922 731635508 /nfs/dbraw/zinc/63/55/08/731635508.db2.gz YNFRGGMEPZJXMR-OAHLLOKOSA-N 0 3 366.531 3.148 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000872249052 735609055 /nfs/dbraw/zinc/60/90/55/735609055.db2.gz ZHDGYPZCDRZIAW-CYBMUJFWSA-N 0 3 370.396 3.362 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000876695623 736132769 /nfs/dbraw/zinc/13/27/69/736132769.db2.gz CUNCKOYYIGWMQV-TVQRCGJNSA-N 0 3 363.658 3.105 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000876898869 736159987 /nfs/dbraw/zinc/15/99/87/736159987.db2.gz XCAKRLMYJDZGLU-KGLIPLIRSA-N 0 3 362.779 3.075 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnn(-c2cccc(F)c2)c1CCC ZINC000876901099 736160256 /nfs/dbraw/zinc/16/02/56/736160256.db2.gz ZAHIUVRRHBUSIR-AWEZNQCLSA-N 0 3 350.825 3.372 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000876941041 736165948 /nfs/dbraw/zinc/16/59/48/736165948.db2.gz FZTJXUSDBJHFTR-ZFWWWQNUSA-N 0 3 357.281 3.427 20 30 FGEDHN N#CCCn1cc(CN2CC[C@@H]3CSC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000877740513 736712459 /nfs/dbraw/zinc/71/24/59/736712459.db2.gz VWFYGGBFUHTGAG-AEFFLSMTSA-N 0 3 353.495 3.044 20 30 FGEDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000879651076 737023508 /nfs/dbraw/zinc/02/35/08/737023508.db2.gz GSNGEZFCGPDPFR-RYUDHWBXSA-N 0 3 355.463 3.492 20 30 FGEDHN C=CCCC[C@@H](NCCS(=O)(=O)C1CCOCC1)c1ccccc1 ZINC000883227088 737538411 /nfs/dbraw/zinc/53/84/11/737538411.db2.gz LCTNDKGDNHIMPW-LJQANCHMSA-N 0 3 351.512 3.267 20 30 FGEDHN Cc1csc(-c2ccc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)cc2)n1 ZINC000884112185 737634537 /nfs/dbraw/zinc/63/45/37/737634537.db2.gz DTZUNZSPMBSORR-XAUUPUKJSA-N 0 3 352.463 3.196 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC1 ZINC000884131231 737636551 /nfs/dbraw/zinc/63/65/51/737636551.db2.gz GGAGLANUVPRRAM-YOEHRIQHSA-N 0 3 359.436 3.401 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccccc1CCC(F)(F)F)C2 ZINC000884171506 737640479 /nfs/dbraw/zinc/64/04/79/737640479.db2.gz XGYCGJBMSHVOAP-XOYHFGRZSA-N 0 3 351.372 3.259 20 30 FGEDHN COC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000886111766 739219822 /nfs/dbraw/zinc/21/98/22/739219822.db2.gz IHNSERRICSOYMP-CVEARBPZSA-N 0 3 356.388 3.427 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCOc3c(Br)cccc32)CCC1 ZINC000886190405 739227191 /nfs/dbraw/zinc/22/71/91/739227191.db2.gz PKEDUMPZNWGLEM-WFASDCNBSA-N 0 3 365.271 3.307 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000948840172 762351650 /nfs/dbraw/zinc/35/16/50/762351650.db2.gz AGWXLQIKDWIAIQ-LXCCHGFXSA-N 0 3 354.922 3.423 20 30 FGEDHN C#CCN(C(=O)N[C@@H]1CCSc2c(F)cccc21)C1CCN(C)CC1 ZINC000914139219 757704565 /nfs/dbraw/zinc/70/45/65/757704565.db2.gz PDUJFOAVCKEXGC-QGZVFWFLSA-N 0 3 361.486 3.102 20 30 FGEDHN S=C(NN=Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000916306851 758068162 /nfs/dbraw/zinc/06/81/62/758068162.db2.gz DKTRNFGHLOMJGC-UHFFFAOYSA-N 0 3 352.507 3.149 20 30 FGEDHN C#CCCCCNCc1nc(Br)c(Br)n1CC ZINC000921840078 758806836 /nfs/dbraw/zinc/80/68/36/758806836.db2.gz XCIXREJEVHWOBZ-UHFFFAOYSA-N 0 3 363.097 3.321 20 30 FGEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2cncc(Br)c2)cs1 ZINC000922180802 758864997 /nfs/dbraw/zinc/86/49/97/758864997.db2.gz OPZGTJHRNLLXEM-CABCVRRESA-N 0 3 364.268 3.397 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)C2(C#N)CCSCC2)N2CCCC2)cc1 ZINC000931165121 760793005 /nfs/dbraw/zinc/79/30/05/760793005.db2.gz XLRZFHKEKDNKDD-SFHVURJKSA-N 0 3 357.523 3.285 20 30 FGEDHN C[C@]12CSC[C@H]1CN(CC(=O)C(C#N)c1nc3ccccc3s1)C2 ZINC000934771116 761712916 /nfs/dbraw/zinc/71/29/16/761712916.db2.gz JBEMHJRMWAQYET-VFVRVIDISA-N 0 3 357.504 3.157 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNCc2c(F)cccc2Cl)C1 ZINC000962320933 762759861 /nfs/dbraw/zinc/75/98/61/762759861.db2.gz FJSMILFRMIKDNL-XXSPLJFUSA-N 0 3 366.864 3.055 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000998005376 765092053 /nfs/dbraw/zinc/09/20/53/765092053.db2.gz ADCBKUXARAXZFQ-YYFUQURLSA-N 0 3 354.922 3.423 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001000429064 765226460 /nfs/dbraw/zinc/22/64/60/765226460.db2.gz XLIHZXGQOVMLPZ-AOIWGVFYSA-N 0 3 362.901 3.402 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001020167704 765865764 /nfs/dbraw/zinc/86/57/64/765865764.db2.gz BGHRYVJYDBYIBR-ANQUJSFKSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001022458463 765997911 /nfs/dbraw/zinc/99/79/11/765997911.db2.gz HCJVJJNKQVKIBW-UIBIWLFHSA-N 0 3 363.299 3.110 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cc(C)sc1C ZINC001024662469 766060805 /nfs/dbraw/zinc/06/08/05/766060805.db2.gz YBYSLJVQCKSDPD-QRVBRYPASA-N 0 3 362.539 3.427 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001029865224 766158326 /nfs/dbraw/zinc/15/83/26/766158326.db2.gz ZUGUJMBIOUVXPE-ZOCIIQOWSA-N 0 3 357.523 3.336 20 30 FGEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001049528536 766791630 /nfs/dbraw/zinc/79/16/30/766791630.db2.gz GPSNKXBLUMCMAL-VQHPVUNQSA-N 0 3 356.432 3.444 20 30 FGEDHN COc1ccc2[nH]cc(C3CCN([C@@H](C)C(=O)N(C)CCC#N)CC3)c2c1 ZINC000098136781 222229393 /nfs/dbraw/zinc/22/93/93/222229393.db2.gz PRYPHKTWEGPUPZ-HNNXBMFYSA-N 0 3 368.481 3.116 20 30 FGEDHN C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000573731051 505606149 /nfs/dbraw/zinc/60/61/49/505606149.db2.gz MSSSOKMMBWOVQT-SFHVURJKSA-N 0 3 374.492 3.352 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000568122239 505622685 /nfs/dbraw/zinc/62/26/85/505622685.db2.gz ZTNWUJPDFTZRSN-UTKZUKDTSA-N 0 3 369.509 3.294 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@@H]2OCC)cc1OC ZINC000568171026 505633296 /nfs/dbraw/zinc/63/32/96/505633296.db2.gz MKIBPLABTFTIKP-KGLIPLIRSA-N 0 3 356.260 3.290 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@H]2C[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000571157501 505667343 /nfs/dbraw/zinc/66/73/43/505667343.db2.gz CKYXOSABAOGOJG-AABGKKOBSA-N 0 3 371.452 3.448 20 30 FGEDHN C=C(C)COc1cc(CN[C@H]2CCN(CC(F)(F)F)C2)ccc1OC ZINC000057975142 493817982 /nfs/dbraw/zinc/81/79/82/493817982.db2.gz HTRFPYPNKLCETB-HNNXBMFYSA-N 0 3 358.404 3.376 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000068884399 493888501 /nfs/dbraw/zinc/88/85/01/493888501.db2.gz CIOBWJMXENGUQX-ROUUACIJSA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCN(CC2CCCCC2)CC1 ZINC000049982084 493889626 /nfs/dbraw/zinc/88/96/26/493889626.db2.gz OQKKYUFEXHTTRN-UHFFFAOYSA-N 0 3 360.527 3.146 20 30 FGEDHN C=CCOc1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1OC ZINC000030634051 493901646 /nfs/dbraw/zinc/90/16/46/493901646.db2.gz BJMGCXIJTOLXMK-UHFFFAOYSA-N 0 3 364.449 3.190 20 30 FGEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076486761 493903564 /nfs/dbraw/zinc/90/35/64/493903564.db2.gz OGTNYVJCJCAJGW-KRWDZBQOSA-N 0 3 367.449 3.287 20 30 FGEDHN C=CCCCCCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000568410620 505688068 /nfs/dbraw/zinc/68/80/68/505688068.db2.gz SPUOTKBMCWXDQQ-UHFFFAOYSA-N 0 3 359.514 3.189 20 30 FGEDHN COC(=O)[C@H](C)CN(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000060333788 493923470 /nfs/dbraw/zinc/92/34/70/493923470.db2.gz LEULCDAFGFPBJS-QGZVFWFLSA-N 0 3 352.434 3.248 20 30 FGEDHN C=CCc1ccc(OCC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c(OC)c1 ZINC000060555323 493944581 /nfs/dbraw/zinc/94/45/81/493944581.db2.gz LYPWMWVZZWYTGZ-IAGOWNOFSA-N 0 3 360.498 3.039 20 30 FGEDHN N#Cc1ccc(CN2CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000052409028 494023112 /nfs/dbraw/zinc/02/31/12/494023112.db2.gz CPFKJEFUQFGWMN-UHFFFAOYSA-N 0 3 364.449 3.217 20 30 FGEDHN Cc1[nH]c2ccccc2c1C1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000052464746 494027782 /nfs/dbraw/zinc/02/77/82/494027782.db2.gz RGYJHKITWNSIRC-MRXNPFEDSA-N 0 3 352.482 3.416 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000063263721 494037446 /nfs/dbraw/zinc/03/74/46/494037446.db2.gz ATNISIAZWUJCEX-UHFFFAOYSA-N 0 3 363.461 3.209 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1cccc(C#N)c1 ZINC000084455329 494073568 /nfs/dbraw/zinc/07/35/68/494073568.db2.gz MEGGGXCXXLQZDU-HNNXBMFYSA-N 0 3 356.495 3.454 20 30 FGEDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNC1CCN(CC#N)CC1 ZINC000077417703 494079056 /nfs/dbraw/zinc/07/90/56/494079056.db2.gz MRAANRJOLWCZPP-UHFFFAOYSA-N 0 3 371.916 3.279 20 30 FGEDHN C=CCc1ccc(OCC(=O)N2CCCN(C(C)(C)C)CC2)c(OC)c1 ZINC000063727305 494081121 /nfs/dbraw/zinc/08/11/21/494081121.db2.gz DQDLHJTTYBXYEZ-UHFFFAOYSA-N 0 3 360.498 3.135 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(Cc3ccc(F)cc3)CC2)cc1 ZINC000577275245 505698643 /nfs/dbraw/zinc/69/86/43/505698643.db2.gz QOUNMSCFIAGCKE-UHFFFAOYSA-N 0 3 372.465 3.084 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000042846658 494247640 /nfs/dbraw/zinc/24/76/40/494247640.db2.gz GVAKYPRKCGMZTH-KRWDZBQOSA-N 0 3 350.466 3.393 20 30 FGEDHN CC(C)CN(CCN(C)C)C(=O)NCCSCc1ccccc1C#N ZINC000043835457 494323107 /nfs/dbraw/zinc/32/31/07/494323107.db2.gz OYAMWNVCQWQJOD-UHFFFAOYSA-N 0 3 362.543 3.021 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 ZINC000066393735 494326102 /nfs/dbraw/zinc/32/61/02/494326102.db2.gz UNIHEXLSPOJVSV-HNNXBMFYSA-N 0 3 350.249 3.019 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN(CCc2cccc(F)c2)C2CC2)cc1 ZINC000073166805 494331894 /nfs/dbraw/zinc/33/18/94/494331894.db2.gz CIBVQQUJQVLNIB-NRFANRHFSA-N 0 3 368.452 3.339 20 30 FGEDHN N#Cc1cnc2ccccc2c1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000089643960 494338515 /nfs/dbraw/zinc/33/85/15/494338515.db2.gz VNYNMIPQYUQOHW-RTBURBONSA-N 0 3 358.445 3.154 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCN2c3ccccc3CC[C@@H]2C)CC1 ZINC000073437012 494370698 /nfs/dbraw/zinc/37/06/98/494370698.db2.gz IUBUDMIVUQQXFX-SFHVURJKSA-N 0 3 355.526 3.375 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000045306006 494415008 /nfs/dbraw/zinc/41/50/08/494415008.db2.gz PYEVSAJTOSUXIX-OAQYLSRUSA-N 0 3 362.477 3.319 20 30 FGEDHN C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1cccc(C#N)c1 ZINC000073793632 494430131 /nfs/dbraw/zinc/43/01/31/494430131.db2.gz RRXOANKWVGWEKW-UZLBHIALSA-N 0 3 350.466 3.091 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2ccccc2)CC1)C(C)C ZINC000079440204 494454684 /nfs/dbraw/zinc/45/46/84/494454684.db2.gz ZYLOZEPPJAHGBN-OAQYLSRUSA-N 0 3 370.541 3.217 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000079556024 494480050 /nfs/dbraw/zinc/48/00/50/494480050.db2.gz YYEKOYNBRKTHNF-PXNSSMCTSA-N 0 3 363.461 3.106 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)N(C)C)cc1 ZINC000067268808 494504893 /nfs/dbraw/zinc/50/48/93/494504893.db2.gz CGTJHZMLKOJHOO-JXFKEZNVSA-N 0 3 351.450 3.053 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000074660593 494572222 /nfs/dbraw/zinc/57/22/22/494572222.db2.gz LFGCETTZGRXYMW-IBGZPJMESA-N 0 3 364.578 3.038 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023738111 494577819 /nfs/dbraw/zinc/57/78/19/494577819.db2.gz LKMUEUQDBIXMJC-LAUBAEHRSA-N 0 3 363.461 3.279 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)C(C)C ZINC000046905633 494583520 /nfs/dbraw/zinc/58/35/20/494583520.db2.gz INCPVSAQYNFXNG-FQEVSTJZSA-N 0 3 354.498 3.398 20 30 FGEDHN COc1cc(C#N)ccc1CN1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000121158522 494622264 /nfs/dbraw/zinc/62/22/64/494622264.db2.gz IFNFCBNBBBPZLG-HDICACEKSA-N 0 3 371.525 3.278 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CCN1CCCC1 ZINC000121183976 494635380 /nfs/dbraw/zinc/63/53/80/494635380.db2.gz CLKVOQLAOWTELQ-UHFFFAOYSA-N 0 3 356.388 3.438 20 30 FGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000067869867 494674005 /nfs/dbraw/zinc/67/40/05/494674005.db2.gz TXBQSYAFIONYCJ-UHFFFAOYSA-N 0 3 373.545 3.069 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(OC3CCOCC3)CC2)cc1 ZINC000093140912 494833080 /nfs/dbraw/zinc/83/30/80/494833080.db2.gz FSUZBHLBPDYVII-UHFFFAOYSA-N 0 3 357.498 3.196 20 30 FGEDHN C[C@H]1[C@H](NC(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000577531925 505746344 /nfs/dbraw/zinc/74/63/44/505746344.db2.gz AREWJJHPTZWNBZ-MGPUTAFESA-N 0 3 351.425 3.019 20 30 FGEDHN C[C@@](C#N)(NC(=O)CN(CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000116892555 494867546 /nfs/dbraw/zinc/86/75/46/494867546.db2.gz KQTYJXJMSMWZGI-FQEVSTJZSA-N 0 3 359.901 3.403 20 30 FGEDHN C=CC[C@H](C)N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000116907811 494869497 /nfs/dbraw/zinc/86/94/97/494869497.db2.gz ISZADNWUZHDWFU-MGPUTAFESA-N 0 3 352.434 3.327 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1C ZINC000122092173 494921977 /nfs/dbraw/zinc/92/19/77/494921977.db2.gz YAXYQDYLYGSMQG-FQEVSTJZSA-N 0 3 362.477 3.388 20 30 FGEDHN N#Cc1ccc(C(F)(F)F)c(N2CCC(CN3CCOCC3)CC2)c1 ZINC000127764314 494994073 /nfs/dbraw/zinc/99/40/73/494994073.db2.gz QIQOADUZCXOVJM-UHFFFAOYSA-N 0 3 353.388 3.126 20 30 FGEDHN N#Cc1ccc(NC(=O)CN(Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111261170 495056026 /nfs/dbraw/zinc/05/60/26/495056026.db2.gz UGCKQXZXZYUPDT-UHFFFAOYSA-N 0 3 363.461 3.426 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnn(-c2ccccn2)c1C)C(C)C ZINC000101684509 495091289 /nfs/dbraw/zinc/09/12/89/495091289.db2.gz LINFWYPURLRBAQ-LJQANCHMSA-N 0 3 367.497 3.004 20 30 FGEDHN Cc1cc(CN(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)ccc1C#N ZINC000571569292 505762776 /nfs/dbraw/zinc/76/27/76/505762776.db2.gz YJXWBRZXVUNJIN-XMSQKQJNSA-N 0 3 350.462 3.409 20 30 FGEDHN C=CCOc1cccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000119458152 495171274 /nfs/dbraw/zinc/17/12/74/495171274.db2.gz ZWFFMBTWPZQMFZ-OAHLLOKOSA-N 0 3 360.479 3.092 20 30 FGEDHN CCCN1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000112408669 495185194 /nfs/dbraw/zinc/18/51/94/495185194.db2.gz DTLYCYNDPFDLTO-UHFFFAOYSA-N 0 3 362.905 3.004 20 30 FGEDHN CN(CCN1CCCC1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000103117562 495194297 /nfs/dbraw/zinc/19/42/97/495194297.db2.gz BTDFPFSUAKRVFA-UHFFFAOYSA-N 0 3 363.461 3.305 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000134914432 495222373 /nfs/dbraw/zinc/22/23/73/495222373.db2.gz UULVFNQMQJMXJF-APWZRJJASA-N 0 3 365.502 3.430 20 30 FGEDHN Cc1nc(C2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000103472929 495237617 /nfs/dbraw/zinc/23/76/17/495237617.db2.gz SDSGJJIEJAVKQR-UHFFFAOYSA-N 0 3 373.844 3.111 20 30 FGEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cnn(C)c1 ZINC000103474604 495238755 /nfs/dbraw/zinc/23/87/55/495238755.db2.gz VPXKQYCPWLUDCY-UHFFFAOYSA-N 0 3 371.510 3.083 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000119780496 495239947 /nfs/dbraw/zinc/23/99/47/495239947.db2.gz FPCPRWLJNLOAHS-MAUKXSAKSA-N 0 3 373.497 3.266 20 30 FGEDHN C[C@@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000112791685 495241732 /nfs/dbraw/zinc/24/17/32/495241732.db2.gz AVXYHMPVWMIFCS-YLJYHZDGSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCNc1ncc(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000129423824 495243687 /nfs/dbraw/zinc/24/36/87/495243687.db2.gz PYMFHPJYIXQLLD-QGZVFWFLSA-N 0 3 370.522 3.335 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccccc1OCC#N ZINC000112821257 495244799 /nfs/dbraw/zinc/24/47/99/495244799.db2.gz COLLZBNODVBRCX-UHFFFAOYSA-N 0 3 373.403 3.071 20 30 FGEDHN C[C@H](NC1(CNC(=O)c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000113235005 495286710 /nfs/dbraw/zinc/28/67/10/495286710.db2.gz QOGIQDCDKCHSDV-KRWDZBQOSA-N 0 3 363.461 3.188 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000135420042 495290502 /nfs/dbraw/zinc/29/05/02/495290502.db2.gz GJPOFRGZPGSZEJ-OAHLLOKOSA-N 0 3 369.469 3.137 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)onc1-c1ccncc1)C(C)C ZINC000130313635 495372149 /nfs/dbraw/zinc/37/21/49/495372149.db2.gz MCOQBUMYKGWABJ-GOSISDBHSA-N 0 3 368.481 3.473 20 30 FGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C[C@@H]2CCOC2)[n+]2ccccc2)cc1C ZINC000136486835 495382832 /nfs/dbraw/zinc/38/28/32/495382832.db2.gz CYWVQERQDIBCLW-KRWDZBQOSA-O 0 3 369.510 3.156 20 30 FGEDHN CN(CCC#N)c1ccc(CNC[C@](C)(O)c2ccc(F)cc2F)cc1 ZINC000114509221 495386857 /nfs/dbraw/zinc/38/68/57/495386857.db2.gz BOYOBTCMLQAIHX-FQEVSTJZSA-N 0 3 359.420 3.312 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000106035172 495406215 /nfs/dbraw/zinc/40/62/15/495406215.db2.gz NROYKAUVLSLQQI-UHFFFAOYSA-N 0 3 359.495 3.411 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)nc3onc(C)c32)CC1 ZINC000106037606 495406261 /nfs/dbraw/zinc/40/62/61/495406261.db2.gz RJCJQBVDZBRKNL-UHFFFAOYSA-N 0 3 356.470 3.425 20 30 FGEDHN CCN1CCC[C@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114676528 495407695 /nfs/dbraw/zinc/40/76/95/495407695.db2.gz YDVQUCJWANVOCH-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC[C@H](C)O)cc1OCC ZINC000114771823 495423889 /nfs/dbraw/zinc/42/38/89/495423889.db2.gz KGQHGOSZFLBHJH-LBPRGKRZSA-N 0 3 358.276 3.273 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000106269112 495442061 /nfs/dbraw/zinc/44/20/61/495442061.db2.gz LUEPHJDXJVJOIO-IBGZPJMESA-N 0 3 374.529 3.065 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c3ncccc23)CC1 ZINC000106340593 495446925 /nfs/dbraw/zinc/44/69/25/495446925.db2.gz HMCPSEHZDHBQEK-UHFFFAOYSA-N 0 3 354.454 3.405 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000139061055 495472265 /nfs/dbraw/zinc/47/22/65/495472265.db2.gz HALHBBXXTQASLD-MSOLQXFVSA-N 0 3 351.535 3.262 20 30 FGEDHN CCN1CCC(n2nccc2NC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000125720986 495488209 /nfs/dbraw/zinc/48/82/09/495488209.db2.gz NBIZDIRMNVGMFA-UHFFFAOYSA-N 0 3 357.845 3.317 20 30 FGEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000125798062 495500997 /nfs/dbraw/zinc/50/09/97/495500997.db2.gz KESZPXRTXNUEIP-CZUORRHYSA-N 0 3 362.376 3.250 20 30 FGEDHN N#Cc1ccccc1OCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000145817206 495558553 /nfs/dbraw/zinc/55/85/53/495558553.db2.gz OWFFMEYXBSULMA-UHFFFAOYSA-N 0 3 369.490 3.027 20 30 FGEDHN C[C@@H]1CCN(C(=O)c2ccccc2OCC#N)CCN1Cc1ccccc1 ZINC000173510701 495566035 /nfs/dbraw/zinc/56/60/35/495566035.db2.gz PFMVSNCKVWMYHR-GOSISDBHSA-N 0 3 363.461 3.326 20 30 FGEDHN C=CCC[C@@H](NC(=O)NC1CCN(CCCOC)CC1)c1ccccc1 ZINC000158687587 495567531 /nfs/dbraw/zinc/56/75/31/495567531.db2.gz FIYGUEALOPEHQY-HXUWFJFHSA-N 0 3 359.514 3.494 20 30 FGEDHN Cc1cc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc(C#N)n1 ZINC000580594807 505793128 /nfs/dbraw/zinc/79/31/28/505793128.db2.gz YGMUXNYEDPKJRH-INIZCTEOSA-N 0 3 360.383 3.389 20 30 FGEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000176394235 495635732 /nfs/dbraw/zinc/63/57/32/495635732.db2.gz MXJWHSZJSKBLLG-IRXDYDNUSA-N 0 3 370.497 3.301 20 30 FGEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1COc2ccccc21 ZINC000185594041 495636244 /nfs/dbraw/zinc/63/62/44/495636244.db2.gz JHUOPIMNIXBWDB-MLGOLLRUSA-N 0 3 355.825 3.304 20 30 FGEDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc(C#N)cc1 ZINC000179624868 495665627 /nfs/dbraw/zinc/66/56/27/495665627.db2.gz JTHZDNJKKJLEGE-IBGZPJMESA-N 0 3 372.856 3.382 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccccc3Cl)cc2C)CC1 ZINC000179807321 495741284 /nfs/dbraw/zinc/74/12/84/495741284.db2.gz PFWAPBICZAOVQK-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN COCCCN1CCC(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000171150822 495745069 /nfs/dbraw/zinc/74/50/69/495745069.db2.gz BYXFVZCAJIAXEO-UHFFFAOYSA-N 0 3 358.486 3.110 20 30 FGEDHN C=CCCCCCNC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000568897770 505803013 /nfs/dbraw/zinc/80/30/13/505803013.db2.gz BLRGMDZUTKOYKD-UHFFFAOYSA-N 0 3 359.514 3.059 20 30 FGEDHN N#CC1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000176849616 495810677 /nfs/dbraw/zinc/81/06/77/495810677.db2.gz XUOZWXBTZLYJBA-UHFFFAOYSA-N 0 3 369.509 3.258 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H]2CCCOC2)c1 ZINC000174145852 495836993 /nfs/dbraw/zinc/83/69/93/495836993.db2.gz VXXXFQWXXRJJKA-MOPGFXCFSA-N 0 3 357.498 3.297 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000176944709 495851999 /nfs/dbraw/zinc/85/19/99/495851999.db2.gz NAADFDCLGFFLPP-SFHVURJKSA-N 0 3 361.898 3.436 20 30 FGEDHN C=CCCOCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000155194753 495869938 /nfs/dbraw/zinc/86/99/38/495869938.db2.gz QIJGKODOIZKBHJ-GOSISDBHSA-N 0 3 370.415 3.150 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000183251772 495901367 /nfs/dbraw/zinc/90/13/67/495901367.db2.gz DEJGSTSNAFWVAY-UHFFFAOYSA-N 0 3 360.417 3.174 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000171552481 495924380 /nfs/dbraw/zinc/92/43/80/495924380.db2.gz BZMVWBMFDSSDAZ-FQEVSTJZSA-N 0 3 357.498 3.486 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000171604419 495945411 /nfs/dbraw/zinc/94/54/11/495945411.db2.gz QUYVLBLUNFDIRE-PMACEKPBSA-N 0 3 357.498 3.246 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160530243 495984648 /nfs/dbraw/zinc/98/46/48/495984648.db2.gz IYHLBZMLDWMENQ-FQEVSTJZSA-N 0 3 365.481 3.200 20 30 FGEDHN C=CCN1CCC(NC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000171716430 496003018 /nfs/dbraw/zinc/00/30/18/496003018.db2.gz RUMZAHQOSBRMTJ-UHFFFAOYSA-N 0 3 365.433 3.110 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cs1 ZINC000177433662 496060257 /nfs/dbraw/zinc/06/02/57/496060257.db2.gz BKKLSPXHXAEETG-QGZVFWFLSA-N 0 3 354.479 3.141 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)CNc2cccc(C#N)c2)CC1 ZINC000160923834 496067616 /nfs/dbraw/zinc/06/76/16/496067616.db2.gz ADHYJZOKZSYSRO-QGZVFWFLSA-N 0 3 362.477 3.312 20 30 FGEDHN CN(C)CCN(C(=O)NCCSCc1ccccc1C#N)C1CCCC1 ZINC000177462889 496070977 /nfs/dbraw/zinc/07/09/77/496070977.db2.gz YEMUSVBNGMPIFV-UHFFFAOYSA-N 0 3 374.554 3.307 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Cc3ccccn3)CC2)CC1 ZINC000171907559 496087423 /nfs/dbraw/zinc/08/74/23/496087423.db2.gz KPTGKZYCWGXLQI-UHFFFAOYSA-N 0 3 356.514 3.086 20 30 FGEDHN C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000183728704 496095680 /nfs/dbraw/zinc/09/56/80/496095680.db2.gz KDHDFZHBTLMITG-HNNXBMFYSA-N 0 3 351.406 3.396 20 30 FGEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1 ZINC000180878344 496181940 /nfs/dbraw/zinc/18/19/40/496181940.db2.gz TULWSQUABDZYIG-JRELAMLQSA-N 0 3 354.237 3.170 20 30 FGEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nccs1 ZINC000162683023 496396046 /nfs/dbraw/zinc/39/60/46/496396046.db2.gz VHTCPLBABULISY-KRWDZBQOSA-N 0 3 371.510 3.239 20 30 FGEDHN C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(OCC#N)cc1 ZINC000181510192 496425925 /nfs/dbraw/zinc/42/59/25/496425925.db2.gz IGZALKAPXYIIBZ-IRXDYDNUSA-N 0 3 366.465 3.060 20 30 FGEDHN COCCN(C)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175525875 496426524 /nfs/dbraw/zinc/42/65/24/496426524.db2.gz BXPLPNBEAVCEFA-UHFFFAOYSA-N 0 3 369.490 3.017 20 30 FGEDHN C[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000181592764 496459745 /nfs/dbraw/zinc/45/97/45/496459745.db2.gz SDXORTUZTXTZJT-IERDGZPVSA-N 0 3 353.441 3.421 20 30 FGEDHN Cc1c(C#N)cccc1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000178538706 496492352 /nfs/dbraw/zinc/49/23/52/496492352.db2.gz JNJKHAUBTWNMOR-UHFFFAOYSA-N 0 3 352.438 3.129 20 30 FGEDHN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000157608944 496514389 /nfs/dbraw/zinc/51/43/89/496514389.db2.gz LVCYVJZSTHIEGE-UHFFFAOYSA-N 0 3 366.421 3.187 20 30 FGEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)C ZINC000178616754 496517129 /nfs/dbraw/zinc/51/71/29/496517129.db2.gz FEGHFGJAQLNIGK-MRXNPFEDSA-N 0 3 372.513 3.086 20 30 FGEDHN C=CCN1CCC(NC(=O)N(CCC)[C@H]2C[C@H](OCC)C2(C)C)CC1 ZINC000178669517 496534319 /nfs/dbraw/zinc/53/43/19/496534319.db2.gz SKMNKELTOJOKSX-ROUUACIJSA-N 0 3 351.535 3.262 20 30 FGEDHN C[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000181788161 496545090 /nfs/dbraw/zinc/54/50/90/496545090.db2.gz ZAUNTIIMWSUPAZ-PXAZEXFGSA-N 0 3 358.825 3.367 20 30 FGEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000179102520 496675887 /nfs/dbraw/zinc/67/58/87/496675887.db2.gz KUSQTGJSYFPFEL-OAQYLSRUSA-N 0 3 371.444 3.423 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2NCc2cccnc2)CC1 ZINC000176140875 496700557 /nfs/dbraw/zinc/70/05/57/496700557.db2.gz CLICLVJXLQTKFO-UHFFFAOYSA-N 0 3 350.466 3.074 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CC)Oc2ccccc2C)CC1 ZINC000176154644 496707154 /nfs/dbraw/zinc/70/71/54/496707154.db2.gz VIKWBAYVXPMOMV-LJQANCHMSA-N 0 3 359.514 3.492 20 30 FGEDHN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CCCN(C(C)C)CC1 ZINC000580893384 505862912 /nfs/dbraw/zinc/86/29/12/505862912.db2.gz XIWQVMBBIIAUFZ-UHFFFAOYSA-N 0 3 374.558 3.130 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000268610202 496746164 /nfs/dbraw/zinc/74/61/64/496746164.db2.gz KMZQYIZLHGLXEB-FQEVSTJZSA-N 0 3 367.424 3.081 20 30 FGEDHN COC[C@@H](Cc1ccccc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000191479998 496777497 /nfs/dbraw/zinc/77/74/97/496777497.db2.gz TXBMTOSFIGHHNU-QGZVFWFLSA-N 0 3 357.479 3.138 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2CCOC[C@H]2C)c1C#N ZINC000277490618 496790267 /nfs/dbraw/zinc/79/02/67/496790267.db2.gz OSKNPWHMRCAOKI-KUHUBIRLSA-N 0 3 372.513 3.435 20 30 FGEDHN C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000569173374 505868522 /nfs/dbraw/zinc/86/85/22/505868522.db2.gz QKZLXMVLLHRUPG-LJQANCHMSA-N 0 3 351.498 3.442 20 30 FGEDHN N#Cc1cccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000578130961 505869081 /nfs/dbraw/zinc/86/90/81/505869081.db2.gz RPUNQAMDVMEASK-CQSZACIVSA-N 0 3 355.467 3.048 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277666033 496847322 /nfs/dbraw/zinc/84/73/22/496847322.db2.gz MBCCNVKENUDNQK-QGZVFWFLSA-N 0 3 363.477 3.024 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000195211529 496850735 /nfs/dbraw/zinc/85/07/35/496850735.db2.gz JUKMZZGEIYECDI-UHFFFAOYSA-N 0 3 361.283 3.222 20 30 FGEDHN C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000247446390 496860415 /nfs/dbraw/zinc/86/04/15/496860415.db2.gz PVVPFZVFZYQZIQ-HDCIMXRVSA-N 0 3 358.482 3.072 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000188667963 496870368 /nfs/dbraw/zinc/87/03/68/496870368.db2.gz VKFMUZWKIMYLMY-INIZCTEOSA-N 0 3 359.474 3.150 20 30 FGEDHN N#Cc1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000264329131 496873823 /nfs/dbraw/zinc/87/38/23/496873823.db2.gz WSNGSELYOXJDKD-UHFFFAOYSA-N 0 3 366.421 3.035 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCCCOCCc2ccccc2)CC1 ZINC000264351957 496879248 /nfs/dbraw/zinc/87/92/48/496879248.db2.gz DCOMAZWNCKFYGJ-UHFFFAOYSA-N 0 3 373.541 3.366 20 30 FGEDHN [O-]c1ccc(Br)cc1/C=N\CC1([NH+]2CCCC2)CCOCC1 ZINC000264437039 496901025 /nfs/dbraw/zinc/90/10/25/496901025.db2.gz RVKUJMOMSKLJPX-UNOMPAQXSA-N 0 3 367.287 3.219 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(OC(F)F)cc2)CC1 ZINC000264482913 496910503 /nfs/dbraw/zinc/91/05/03/496910503.db2.gz LUKOVKBILVNHMN-UHFFFAOYSA-N 0 3 352.425 3.377 20 30 FGEDHN CC(C)[C@H](C(=O)NCCSCc1ccccc1C#N)N1CCCCC1 ZINC000195663655 496958707 /nfs/dbraw/zinc/95/87/07/496958707.db2.gz SDEGZAYSZMDLMR-LJQANCHMSA-N 0 3 359.539 3.418 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192070555 496984991 /nfs/dbraw/zinc/98/49/91/496984991.db2.gz ZXLIAZBOUYSIIC-UHFFFAOYSA-N 0 3 359.214 3.108 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)CC1 ZINC000264830374 496992725 /nfs/dbraw/zinc/99/27/25/496992725.db2.gz LFFAKHBMMAIAOH-UHFFFAOYSA-N 0 3 355.482 3.263 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192144734 497011446 /nfs/dbraw/zinc/01/14/46/497011446.db2.gz JEIYZKZJNFHEKY-FXAWDEMLSA-N 0 3 374.387 3.344 20 30 FGEDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000248469440 497022745 /nfs/dbraw/zinc/02/27/45/497022745.db2.gz UQHQWNSSKWJCJZ-CRAIPNDOSA-N 0 3 369.421 3.289 20 30 FGEDHN CC[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278321733 497074686 /nfs/dbraw/zinc/07/46/86/497074686.db2.gz UZLMWEPFOHNJKX-LJQANCHMSA-N 0 3 357.479 3.049 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000248742099 497095403 /nfs/dbraw/zinc/09/54/03/497095403.db2.gz FEFPRAWSZACWKR-OXQOHEQNSA-N 0 3 365.502 3.287 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000248942350 497137639 /nfs/dbraw/zinc/13/76/39/497137639.db2.gz YWZORAQFNQWPTK-LAUBAEHRSA-N 0 3 362.477 3.220 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000249091898 497163905 /nfs/dbraw/zinc/16/39/05/497163905.db2.gz DIBNFNVDPBHQGM-SZVBFZGTSA-N 0 3 350.528 3.476 20 30 FGEDHN Cc1ccc(OCCNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278606776 497164550 /nfs/dbraw/zinc/16/45/50/497164550.db2.gz IGOKZWXBPPSYPS-UHFFFAOYSA-N 0 3 361.449 3.336 20 30 FGEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265885003 497201113 /nfs/dbraw/zinc/20/11/13/497201113.db2.gz ZXWSVODEFKEOPC-YJBOKZPZSA-N 0 3 359.470 3.324 20 30 FGEDHN N#C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1cccc(Br)c1 ZINC000192797537 497216805 /nfs/dbraw/zinc/21/68/05/497216805.db2.gz NGFZSMPQVYGMMI-INIZCTEOSA-N 0 3 362.271 3.004 20 30 FGEDHN N#CC(CCN(CCO)C1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000278799774 497225070 /nfs/dbraw/zinc/22/50/70/497225070.db2.gz ONYQZJGPCYNIMO-UHFFFAOYSA-N 0 3 364.489 3.360 20 30 FGEDHN C=C(C)COc1cc(CNCCn2c3ccccc3[nH]c2=O)ccc1OC ZINC000237398418 497231278 /nfs/dbraw/zinc/23/12/78/497231278.db2.gz QHKLLWQNLZIRDZ-UHFFFAOYSA-N 0 3 367.449 3.083 20 30 FGEDHN C=CCC[C@H](C(=O)NCCCN1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000275117330 497239760 /nfs/dbraw/zinc/23/97/60/497239760.db2.gz IDGDNTZYPFFVLG-FQEVSTJZSA-N 0 3 372.509 3.128 20 30 FGEDHN C=CC[C@H](C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)c1ccccc1 ZINC000249967827 497259404 /nfs/dbraw/zinc/25/94/04/497259404.db2.gz KDOUMDNRMLQBAN-YADHBBJMSA-N 0 3 364.489 3.229 20 30 FGEDHN C=CC[C@@H](C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)c1ccccc1 ZINC000249967823 497259746 /nfs/dbraw/zinc/25/97/46/497259746.db2.gz KDOUMDNRMLQBAN-FGZHOGPDSA-N 0 3 364.489 3.229 20 30 FGEDHN C#CCn1ccc(CN(CC)C(=O)c2ccc(CN3CCCCC3)cc2)n1 ZINC000278936997 497273958 /nfs/dbraw/zinc/27/39/58/497273958.db2.gz KNGBXAVTRMGLHZ-UHFFFAOYSA-N 0 3 364.493 3.165 20 30 FGEDHN Cc1nn2c(nc(C)c2CNCCSCc2ccccc2C#N)s1 ZINC000271190221 497285801 /nfs/dbraw/zinc/28/58/01/497285801.db2.gz GMXSAGDGKXUGAT-UHFFFAOYSA-N 0 3 357.508 3.302 20 30 FGEDHN CN(Cc1ccccn1)[C@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000275970963 497473035 /nfs/dbraw/zinc/47/30/35/497473035.db2.gz NPODLIWGWIGDBR-LEQVUBRHSA-N 0 3 374.488 3.480 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271911930 497486054 /nfs/dbraw/zinc/48/60/54/497486054.db2.gz BAACDEPPSDKUQF-RISCZKNCSA-N 0 3 350.340 3.066 20 30 FGEDHN CN(C)c1ccc(CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000279680835 497508440 /nfs/dbraw/zinc/50/84/40/497508440.db2.gz GTSOSPRQGLUUCG-FQEVSTJZSA-N 0 3 372.472 3.498 20 30 FGEDHN N=C(NCc1ccccc1CN1CCCC1=O)Nc1cc(F)ccc1F ZINC000262270141 497531905 /nfs/dbraw/zinc/53/19/05/497531905.db2.gz IEQJWDNFDSLRRM-UHFFFAOYSA-N 0 3 358.392 3.014 20 30 FGEDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1O2 ZINC000193954941 497532632 /nfs/dbraw/zinc/53/26/32/497532632.db2.gz CENKFFNTIMWDIM-LJQANCHMSA-N 0 3 361.445 3.276 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cccc(CC#N)c3)CC2)C[C@H](C)O1 ZINC000267370556 497535741 /nfs/dbraw/zinc/53/57/41/497535741.db2.gz FTIXLMQRRLARMR-HDICACEKSA-N 0 3 369.509 3.104 20 30 FGEDHN Cn1cc(CNCc2ccc(C3OCCO3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000272112650 497539245 /nfs/dbraw/zinc/53/92/45/497539245.db2.gz JOZDOGXNDQXBSJ-UHFFFAOYSA-N 0 3 374.444 3.294 20 30 FGEDHN N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)o2)c1 ZINC000575085735 505917163 /nfs/dbraw/zinc/91/71/63/505917163.db2.gz HHENZXKGMBWWDK-KZNAEPCWSA-N 0 3 352.438 3.124 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)CCC1 ZINC000190932485 497651027 /nfs/dbraw/zinc/65/10/27/497651027.db2.gz VZGNSFQHWHGPEU-QGZVFWFLSA-N 0 3 355.482 3.069 20 30 FGEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280207655 497681032 /nfs/dbraw/zinc/68/10/32/497681032.db2.gz UYSRDLUJMOAWBD-DCPHZVHLSA-N 0 3 365.408 3.272 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000268154442 497688090 /nfs/dbraw/zinc/68/80/90/497688090.db2.gz FYSRAVGVEJGEID-FFGOWVMKSA-N 0 3 369.509 3.342 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246330527 497697433 /nfs/dbraw/zinc/69/74/33/497697433.db2.gz KFYSMBUDIZQMEW-BZSNNMDCSA-N 0 3 355.482 3.452 20 30 FGEDHN CC(C)[C@@H]1C[C@@H](CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000272707815 497708969 /nfs/dbraw/zinc/70/89/69/497708969.db2.gz HQROERZRAWNKPB-RXVVDRJESA-N 0 3 371.525 3.290 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]2C[C@@H](C)O)c1 ZINC000246618479 497789964 /nfs/dbraw/zinc/78/99/64/497789964.db2.gz IFTJFHDQFQQUNO-QYZOEREBSA-N 0 3 357.498 3.174 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000280575387 497792614 /nfs/dbraw/zinc/79/26/14/497792614.db2.gz VTHDEMIANUNXMW-UXHICEINSA-N 0 3 361.420 3.471 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000280575384 497792665 /nfs/dbraw/zinc/79/26/65/497792665.db2.gz VTHDEMIANUNXMW-PMACEKPBSA-N 0 3 361.420 3.471 20 30 FGEDHN Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCc4[nH]cnc4C3)C2)sc1C ZINC000329608253 497843727 /nfs/dbraw/zinc/84/37/27/497843727.db2.gz IPUHNVIYGQMPFU-ZIAGYGMSSA-N 0 3 359.499 3.134 20 30 FGEDHN Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)C2)sc1C ZINC000329608253 497843733 /nfs/dbraw/zinc/84/37/33/497843733.db2.gz IPUHNVIYGQMPFU-ZIAGYGMSSA-N 0 3 359.499 3.134 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000334022643 497849835 /nfs/dbraw/zinc/84/98/35/497849835.db2.gz XKGBKZFHWWCLTF-QLFBSQMISA-N 0 3 363.483 3.320 20 30 FGEDHN C[C@]1(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO[C@H]1C1CC1 ZINC000329767317 497895370 /nfs/dbraw/zinc/89/53/70/497895370.db2.gz ZJRFDVSUVDUHQE-DYXWJJEUSA-N 0 3 357.498 3.285 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)CN1Cc1ccccc1 ZINC000329772383 497896272 /nfs/dbraw/zinc/89/62/72/497896272.db2.gz KOLPVEMQAHHJTG-VQIMIIECSA-N 0 3 367.497 3.166 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)CN1Cc1ccccc1 ZINC000329772383 497896280 /nfs/dbraw/zinc/89/62/80/497896280.db2.gz KOLPVEMQAHHJTG-VQIMIIECSA-N 0 3 367.497 3.166 20 30 FGEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000329799106 497905981 /nfs/dbraw/zinc/90/59/81/497905981.db2.gz HDONREILAXNHMO-QZTJIDSGSA-N 0 3 371.525 3.440 20 30 FGEDHN CN(C(=O)/C=C/c1cccc(C#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000299718727 497906048 /nfs/dbraw/zinc/90/60/48/497906048.db2.gz YKNSONJLTLLVAD-CMDGGOBGSA-N 0 3 374.488 3.132 20 30 FGEDHN Cc1[nH]c2ccc(CNC[C@@H](O)COc3ccc(CC#N)cc3)cc2c1C ZINC000575248108 505950483 /nfs/dbraw/zinc/95/04/83/505950483.db2.gz AYBFGEKNRFYNAB-LJQANCHMSA-N 0 3 363.461 3.380 20 30 FGEDHN C[C@H](CNC[C@H](O)COc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000575248713 505950792 /nfs/dbraw/zinc/95/07/92/505950792.db2.gz QIGKRWMELXKCOH-PBHICJAKSA-N 0 3 360.841 3.008 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000280904744 497943684 /nfs/dbraw/zinc/94/36/84/497943684.db2.gz GGYSQOYYAXAGBE-KCLUMXDGSA-N 0 3 371.525 3.177 20 30 FGEDHN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC000329905462 497947270 /nfs/dbraw/zinc/94/72/70/497947270.db2.gz JOVOBZNAGGDYJV-AWEZNQCLSA-N 0 3 355.548 3.013 20 30 FGEDHN CN1CCCN(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CC1 ZINC000329909324 497949468 /nfs/dbraw/zinc/94/94/68/497949468.db2.gz MLNANKOCSBXSNQ-UHFFFAOYSA-N 0 3 367.497 3.408 20 30 FGEDHN N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000280929896 497954329 /nfs/dbraw/zinc/95/43/29/497954329.db2.gz VWCLDXXKIPFCIU-FGZHOGPDSA-N 0 3 372.472 3.194 20 30 FGEDHN C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1 ZINC000329954825 497967928 /nfs/dbraw/zinc/96/79/28/497967928.db2.gz NZAVBLKIVFDCRC-UWJYYQICSA-N 0 3 352.482 3.413 20 30 FGEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000285017366 497970944 /nfs/dbraw/zinc/97/09/44/497970944.db2.gz GSWPENDBTVZXAS-WMZOPIPTSA-N 0 3 366.461 3.255 20 30 FGEDHN CN(C)C(=O)c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000280994287 497979740 /nfs/dbraw/zinc/97/97/40/497979740.db2.gz LZUAEXVQBZBSFV-UHFFFAOYSA-N 0 3 362.477 3.337 20 30 FGEDHN CCn1cc([C@@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 ZINC000296304010 497991336 /nfs/dbraw/zinc/99/13/36/497991336.db2.gz ZVJLLKRPACWHGZ-CYBMUJFWSA-N 0 3 371.510 3.394 20 30 FGEDHN COc1ccc(C)cc1C(=O)C(C(=S)[N-]C1CCC1)[n+]1ccccc1 ZINC000292404022 498002502 /nfs/dbraw/zinc/00/25/02/498002502.db2.gz XRNOBEUSQZKQBY-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN COc1ccc(CN2CCC(c3nnc4cc(C)ccn43)CC2)cc1C#N ZINC000364606905 498047083 /nfs/dbraw/zinc/04/70/83/498047083.db2.gz KVFWIFRYXMYZGE-UHFFFAOYSA-N 0 3 361.449 3.298 20 30 FGEDHN CS[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@@H]1N(C)C ZINC000569602292 505974198 /nfs/dbraw/zinc/97/41/98/505974198.db2.gz OJFWUELRQMINRM-QWHCGFSZSA-N 0 3 366.412 3.006 20 30 FGEDHN CN(C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000292608230 498077615 /nfs/dbraw/zinc/07/76/15/498077615.db2.gz IMBVNABBVLTUKG-HNNXBMFYSA-N 0 3 362.355 3.005 20 30 FGEDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000330468196 498137168 /nfs/dbraw/zinc/13/71/68/498137168.db2.gz JXFSLMSSKBVEMG-NSHDSACASA-N 0 3 370.247 3.455 20 30 FGEDHN CCC[C@H](C)C(=O)NCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000292770800 498140548 /nfs/dbraw/zinc/14/05/48/498140548.db2.gz SQDITKXHPWTVBO-KRWDZBQOSA-N 0 3 367.497 3.106 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1C(F)F ZINC000330502529 498143399 /nfs/dbraw/zinc/14/33/99/498143399.db2.gz XEWWUKFQIADXNM-CYBMUJFWSA-N 0 3 357.449 3.296 20 30 FGEDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281437192 498150923 /nfs/dbraw/zinc/15/09/23/498150923.db2.gz DZZZVNORIWZCLF-HEFCMCLBSA-N 0 3 365.408 3.008 20 30 FGEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000330806815 498197322 /nfs/dbraw/zinc/19/73/22/498197322.db2.gz HQSAYZQOQMCEKF-UONOGXRCSA-N 0 3 372.416 3.100 20 30 FGEDHN CC(=O)Nc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000330990778 498231439 /nfs/dbraw/zinc/23/14/39/498231439.db2.gz KKKDNSRNKBENJB-QMTHXVAHSA-N 0 3 357.376 3.451 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000581495859 506001587 /nfs/dbraw/zinc/00/15/87/506001587.db2.gz TXFUSGGXWZTMGS-ZWOKBUDYSA-N 0 3 363.461 3.105 20 30 FGEDHN N#Cc1ncn(CCN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)n1 ZINC000575807416 506009448 /nfs/dbraw/zinc/00/94/48/506009448.db2.gz SAWXVOBVLWVWRF-GOSISDBHSA-N 0 3 353.376 3.002 20 30 FGEDHN N#Cc1ccc(N2CCCN(C3CCOCC3)CC2)c(Br)c1 ZINC000301845560 498290755 /nfs/dbraw/zinc/29/07/55/498290755.db2.gz AFNNQWNFGUTHAE-UHFFFAOYSA-N 0 3 364.287 3.012 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000360809356 498312821 /nfs/dbraw/zinc/31/28/21/498312821.db2.gz JTWWEKLEUQRRIH-ICSRJNTNSA-N 0 3 357.498 3.104 20 30 FGEDHN N#CC1(CCCN2CCC(NC(=O)c3ccsc3)CC2)CCOCC1 ZINC000281950813 498330434 /nfs/dbraw/zinc/33/04/34/498330434.db2.gz JQPZHKLXPUPWSH-UHFFFAOYSA-N 0 3 361.511 3.043 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000365204931 498350947 /nfs/dbraw/zinc/35/09/47/498350947.db2.gz TUMACDRRZSTTAJ-VVFCZOMOSA-N 0 3 359.495 3.176 20 30 FGEDHN N#Cc1ccc(N2CCC(NCC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000286319100 498361430 /nfs/dbraw/zinc/36/14/30/498361430.db2.gz XNGLLHXSJICNOH-UHFFFAOYSA-N 0 3 374.488 3.096 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2Nc2ncc(C#N)cc2Cl)C1 ZINC000302157916 498421405 /nfs/dbraw/zinc/42/14/05/498421405.db2.gz NGBXJMMEJIROTM-UHFFFAOYSA-N 0 3 356.857 3.479 20 30 FGEDHN CN(CCC1CCN(c2ccncc2)CC1)c1nc2ccccn2c1C#N ZINC000302180241 498430471 /nfs/dbraw/zinc/43/04/71/498430471.db2.gz NSKSDSDJIAQHNH-UHFFFAOYSA-N 0 3 360.465 3.344 20 30 FGEDHN Cn1cc(CN2CCCN(c3ccc(C#N)cc3)CC2)c(-c2ccncc2)n1 ZINC000362390594 498508281 /nfs/dbraw/zinc/50/82/81/498508281.db2.gz VBVPXZZTGLOWRN-UHFFFAOYSA-N 0 3 372.476 3.066 20 30 FGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000569914030 506046086 /nfs/dbraw/zinc/04/60/86/506046086.db2.gz BQSSKPRLXXDUFB-VXGBXAGGSA-N 0 3 365.326 3.462 20 30 FGEDHN N#Cc1ccc(CN2CCCN(c3ncnc4c(F)cccc43)CC2)cc1 ZINC000302676563 498529382 /nfs/dbraw/zinc/52/93/82/498529382.db2.gz MZFMUBUXAPLVFR-UHFFFAOYSA-N 0 3 361.424 3.353 20 30 FGEDHN C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)[C@H](c1ccccc1)N(C)C ZINC000286954987 498567165 /nfs/dbraw/zinc/56/71/65/498567165.db2.gz JHWCCWKFGWSEOK-DNVCBOLYSA-N 0 3 352.438 3.402 20 30 FGEDHN C[C@H](NC(=O)Nc1cccc(OCC#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000286954990 498567597 /nfs/dbraw/zinc/56/75/97/498567597.db2.gz JHWCCWKFGWSEOK-KXBFYZLASA-N 0 3 352.438 3.402 20 30 FGEDHN COc1cc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccc1Cl ZINC000294125367 498597759 /nfs/dbraw/zinc/59/77/59/498597759.db2.gz KSQNUFJWCMJOSX-KRWDZBQOSA-N 0 3 367.836 3.261 20 30 FGEDHN COc1ccc([C@H](CCC#N)NC[C@H]2CCCN2c2cccnn2)cc1 ZINC000365724578 498614778 /nfs/dbraw/zinc/61/47/78/498614778.db2.gz VHUYLBSWSGUMMS-MJGOQNOKSA-N 0 3 351.454 3.089 20 30 FGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000332353297 498659864 /nfs/dbraw/zinc/65/98/64/498659864.db2.gz ZUJWTAQTPKNZLO-PBHICJAKSA-N 0 3 360.889 3.099 20 30 FGEDHN COc1cc(CNCc2ccc(OC[C@H]3CCCO3)cc2)ccc1C#N ZINC000576097467 506076620 /nfs/dbraw/zinc/07/66/20/506076620.db2.gz XUUJQTARBUVRLG-HXUWFJFHSA-N 0 3 352.434 3.414 20 30 FGEDHN Cc1cccc(NC2CCN(CCC(=O)Nc3ccccc3C#N)CC2)n1 ZINC000363229327 498715887 /nfs/dbraw/zinc/71/58/87/498715887.db2.gz CNJCYYWLCHLSFE-UHFFFAOYSA-N 0 3 363.465 3.167 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1[O-] ZINC000287330623 498719584 /nfs/dbraw/zinc/71/95/84/498719584.db2.gz WANDFSSWDGGTDY-OKFCBPFISA-N 0 3 371.481 3.097 20 30 FGEDHN Cc1ncc(CO)c(/C=N/C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1O ZINC000287330623 498719587 /nfs/dbraw/zinc/71/95/87/498719587.db2.gz WANDFSSWDGGTDY-OKFCBPFISA-N 0 3 371.481 3.097 20 30 FGEDHN C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)C1=CCN(C)CC1 ZINC000287339146 498722001 /nfs/dbraw/zinc/72/20/01/498722001.db2.gz WORTVMJJQHPNPL-NSHDSACASA-N 0 3 363.259 3.093 20 30 FGEDHN CN(CCC#N)c1ccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000294679642 498770820 /nfs/dbraw/zinc/77/08/20/498770820.db2.gz BLODXEXXTSVWDA-UHFFFAOYSA-N 0 3 362.477 3.300 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000287503044 498779299 /nfs/dbraw/zinc/77/92/99/498779299.db2.gz UFJGDHPXKZBMFZ-SFHVURJKSA-N 0 3 365.905 3.103 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(OC3CCC3)CC1)CCC2 ZINC000579091856 506092235 /nfs/dbraw/zinc/09/22/35/506092235.db2.gz CQTAUXRSKZNUHA-UHFFFAOYSA-N 0 3 373.522 3.471 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000294884270 498837529 /nfs/dbraw/zinc/83/75/29/498837529.db2.gz ZQXPNDLPMNAMHY-NSHDSACASA-N 0 3 373.806 3.276 20 30 FGEDHN C=CCN1CC[C@@H](N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1=O ZINC000576196947 506099166 /nfs/dbraw/zinc/09/91/66/506099166.db2.gz OIDCTNYHVJLYPQ-RTWAWAEBSA-N 0 3 350.462 3.356 20 30 FGEDHN COc1cccc(C2(CNC(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)c1 ZINC000291210315 498844211 /nfs/dbraw/zinc/84/42/11/498844211.db2.gz MBOOWKDGQLPGED-GOSISDBHSA-N 0 3 359.429 3.097 20 30 FGEDHN CCOC(=O)c1nn(-c2ccccc2)cc1CNCC(C)(C)CCC#N ZINC000573019770 506100655 /nfs/dbraw/zinc/10/06/55/506100655.db2.gz KSFMSWHHQFWICR-UHFFFAOYSA-N 0 3 354.454 3.469 20 30 FGEDHN CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000573034333 506103182 /nfs/dbraw/zinc/10/31/82/506103182.db2.gz QXSYTSXCBICYBJ-PXNSSMCTSA-N 0 3 354.450 3.390 20 30 FGEDHN N#Cc1ccc(OCCN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000333032277 498875748 /nfs/dbraw/zinc/87/57/48/498875748.db2.gz MMTBAEPVMGHNET-UHFFFAOYSA-N 0 3 350.466 3.349 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000576238689 506110705 /nfs/dbraw/zinc/11/07/05/506110705.db2.gz FJBHYYUESVSSOF-SFHVURJKSA-N 0 3 364.449 3.225 20 30 FGEDHN COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000328722543 498915244 /nfs/dbraw/zinc/91/52/44/498915244.db2.gz ABIJHFWYVAIHMA-ZBFHGGJFSA-N 0 3 362.470 3.429 20 30 FGEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000328736928 498920655 /nfs/dbraw/zinc/92/06/55/498920655.db2.gz LLIWGNYUIRQRJH-LPHOPBHVSA-N 0 3 357.498 3.255 20 30 FGEDHN N#Cc1ccc(CNC(=O)CN[C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000363644700 498922172 /nfs/dbraw/zinc/92/21/72/498922172.db2.gz IFQRAAMZZLEGAY-JOCHJYFZSA-N 0 3 362.477 3.481 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328761861 498930226 /nfs/dbraw/zinc/93/02/26/498930226.db2.gz YRXQJDNQGXNCSO-BPQIPLTHSA-N 0 3 370.497 3.367 20 30 FGEDHN COCCOc1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000299048893 498951544 /nfs/dbraw/zinc/95/15/44/498951544.db2.gz PFFPXINGEQPXCT-UHFFFAOYSA-N 0 3 353.466 3.351 20 30 FGEDHN C=CC[C@@H](C)NCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295242122 498953700 /nfs/dbraw/zinc/95/37/00/498953700.db2.gz STUFUQVKFKJXFV-VXGBXAGGSA-N 0 3 355.276 3.017 20 30 FGEDHN C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000288214165 498969371 /nfs/dbraw/zinc/96/93/71/498969371.db2.gz RRSXJTFOAOQZPE-OXQOHEQNSA-N 0 3 350.466 3.391 20 30 FGEDHN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)CCC2 ZINC000328878931 498971708 /nfs/dbraw/zinc/97/17/08/498971708.db2.gz JLYIFGSTWZEUCK-OTWHNJEPSA-N 0 3 367.497 3.018 20 30 FGEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1CC(=O)NC1(c2ccccc2)CCC1 ZINC000328970125 499002914 /nfs/dbraw/zinc/00/29/14/499002914.db2.gz OJSDYRCDTIOXLN-DYXWJJEUSA-N 0 3 372.509 3.274 20 30 FGEDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1CC(=O)NC1(c2ccccc2)CCC1 ZINC000328970126 499003012 /nfs/dbraw/zinc/00/30/12/499003012.db2.gz OJSDYRCDTIOXLN-SBHAEUEKSA-N 0 3 372.509 3.274 20 30 FGEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000328992032 499009184 /nfs/dbraw/zinc/00/91/84/499009184.db2.gz VNUPESFEQVRYBH-JBPLPALLSA-N 0 3 372.509 3.272 20 30 FGEDHN Cc1nnc2ccc(C(=O)NC[C@@H]3CCCN(C)[C@@H]3c3cccs3)cn12 ZINC000329028638 499020237 /nfs/dbraw/zinc/02/02/37/499020237.db2.gz WLYJYNWOHSXRMD-KSSFIOAISA-N 0 3 369.494 3.487 20 30 FGEDHN C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)C1 ZINC000329057118 499027435 /nfs/dbraw/zinc/02/74/35/499027435.db2.gz SWDFGCPMBZSEHG-IEZWGBDMSA-N 0 3 363.477 3.139 20 30 FGEDHN Cc1ccn2cc(CNC(=O)N3CCC[C@H]3CN3CCCCC3)nc2c1 ZINC000329119266 499047798 /nfs/dbraw/zinc/04/77/98/499047798.db2.gz OZVBNZXKTWSKQN-SFHVURJKSA-N 0 3 355.486 3.007 20 30 FGEDHN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000329155745 499058555 /nfs/dbraw/zinc/05/85/55/499058555.db2.gz AWBZXSPCPDIIMJ-OCVGTWLNSA-N 0 3 359.445 3.378 20 30 FGEDHN N#Cc1cnc(NCC2CCN(Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000295615002 499063907 /nfs/dbraw/zinc/06/39/07/499063907.db2.gz VRSSYNZNFVXZLT-UHFFFAOYSA-N 0 3 357.439 3.247 20 30 FGEDHN CCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2NC2CCN(C)CC2)C1 ZINC000329178941 499064311 /nfs/dbraw/zinc/06/43/11/499064311.db2.gz MMBSKVJGPDBYPF-MRXNPFEDSA-N 0 3 372.513 3.429 20 30 FGEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000329273253 499088291 /nfs/dbraw/zinc/08/82/91/499088291.db2.gz IBIKZKVHOGGVQO-NVXWUHKLSA-N 0 3 350.507 3.138 20 30 FGEDHN CCN1CCC[C@@H](NC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000329326285 499099872 /nfs/dbraw/zinc/09/98/72/499099872.db2.gz UAOWZRFWIJVJNQ-OAHLLOKOSA-N 0 3 361.511 3.346 20 30 FGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000329350546 499106022 /nfs/dbraw/zinc/10/60/22/499106022.db2.gz DHKIWZRXYMVYMV-CRAIPNDOSA-N 0 3 371.481 3.149 20 30 FGEDHN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)CC1(O)CCC1 ZINC000329521301 499129021 /nfs/dbraw/zinc/12/90/21/499129021.db2.gz OUPVYUZTMWCSJT-PGBRGIIUSA-N 0 3 363.502 3.061 20 30 FGEDHN CCN1CCN([C@@H](C)CNC(=O)c2cnn(C3CCCCC3)c2C)CC1 ZINC000329526847 499129232 /nfs/dbraw/zinc/12/92/32/499129232.db2.gz TYVUYUOWPZFPBT-INIZCTEOSA-N 0 3 361.534 3.027 20 30 FGEDHN COc1cc(CN[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)ccc1C#N ZINC000367098237 499148264 /nfs/dbraw/zinc/14/82/64/499148264.db2.gz FKRXMWFHHGFKEX-KXBFYZLASA-N 0 3 355.463 3.080 20 30 FGEDHN N#CCSCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000367207927 499161911 /nfs/dbraw/zinc/16/19/11/499161911.db2.gz UWWOCQWSPBXWSD-VQTJNVASSA-N 0 3 365.502 3.028 20 30 FGEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000372852037 499184034 /nfs/dbraw/zinc/18/40/34/499184034.db2.gz MJMWBFCJFVIXFX-PMACEKPBSA-N 0 3 365.864 3.070 20 30 FGEDHN C=CCOc1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1OC ZINC000367346776 499185479 /nfs/dbraw/zinc/18/54/79/499185479.db2.gz OLEJQOJVVVDBNY-UHFFFAOYSA-N 0 3 368.481 3.177 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000370207875 499197413 /nfs/dbraw/zinc/19/74/13/499197413.db2.gz NMIMIPYRCWXUJV-HXUWFJFHSA-N 0 3 373.460 3.315 20 30 FGEDHN CCCN1CCCN(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 ZINC000371289184 499306205 /nfs/dbraw/zinc/30/62/05/499306205.db2.gz INSLHWMNUGEGEV-UHFFFAOYSA-N 0 3 373.457 3.076 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](Cc2ccncc2)C1 ZINC000368613950 499313944 /nfs/dbraw/zinc/31/39/44/499313944.db2.gz OJXMOISDOBYRAP-UYAOXDASSA-N 0 3 362.477 3.281 20 30 FGEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000368654777 499317839 /nfs/dbraw/zinc/31/78/39/499317839.db2.gz CITCHIAWTXFKBY-LJQANCHMSA-N 0 3 360.502 3.480 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC(NC(=O)c3ccoc3)CC2)cc1 ZINC000371410957 499322863 /nfs/dbraw/zinc/32/28/63/499322863.db2.gz JYJMLPLJRYXBOH-UHFFFAOYSA-N 0 3 366.465 3.024 20 30 FGEDHN C[C@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000371705176 499357000 /nfs/dbraw/zinc/35/70/00/499357000.db2.gz AJNNCMLEGNKMJB-AWEZNQCLSA-N 0 3 366.421 3.071 20 30 FGEDHN C[C@H]([NH2+]CCCOC([O-])=NC(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000371705176 499357001 /nfs/dbraw/zinc/35/70/01/499357001.db2.gz AJNNCMLEGNKMJB-AWEZNQCLSA-N 0 3 366.421 3.071 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC000369078835 499363295 /nfs/dbraw/zinc/36/32/95/499363295.db2.gz ZABIQQAKEUBFFZ-UHFFFAOYSA-N 0 3 368.481 3.367 20 30 FGEDHN CO/N=C/c1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000369552291 499416383 /nfs/dbraw/zinc/41/63/83/499416383.db2.gz VGUJAFJOQQXHQG-KQOXESIYSA-N 0 3 357.479 3.151 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000372428906 499433634 /nfs/dbraw/zinc/43/36/34/499433634.db2.gz SCHUIWDGLRYKLA-UHFFFAOYSA-N 0 3 350.466 3.007 20 30 FGEDHN CN1CC[C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@@H]2C1 ZINC000373060927 499449464 /nfs/dbraw/zinc/44/94/64/499449464.db2.gz WPNMNLGNOCFLHH-OXJNMPFZSA-N 0 3 350.466 3.111 20 30 FGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000373568499 499477302 /nfs/dbraw/zinc/47/73/02/499477302.db2.gz MQVQAGJWWFDIFA-ICSRJNTNSA-N 0 3 363.465 3.304 20 30 FGEDHN Cn1cc(CN(CCO)[C@@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000378494828 499524043 /nfs/dbraw/zinc/52/40/43/499524043.db2.gz LILGDMUDWFSCLA-JOCHJYFZSA-N 0 3 372.472 3.441 20 30 FGEDHN N#CC1(CCCN2Cc3ccccc3[C@@H](n3cccn3)C2)CCOCC1 ZINC000375599118 499536618 /nfs/dbraw/zinc/53/66/18/499536618.db2.gz RZXFZVIIWIAZGW-FQEVSTJZSA-N 0 3 350.466 3.389 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000378651551 499541133 /nfs/dbraw/zinc/54/11/33/499541133.db2.gz YSQXXRZMMKXZMG-XMCHAPAWSA-N 0 3 373.522 3.424 20 30 FGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000375788637 499555971 /nfs/dbraw/zinc/55/59/71/499555971.db2.gz JFHIGFJWRVUVRR-QZTJIDSGSA-N 0 3 364.493 3.296 20 30 FGEDHN N#Cc1c(F)cccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404146363 499569667 /nfs/dbraw/zinc/56/96/67/499569667.db2.gz LOBDIUTWIBIBDQ-RTWAWAEBSA-N 0 3 351.425 3.177 20 30 FGEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000376091503 499582433 /nfs/dbraw/zinc/58/24/33/499582433.db2.gz BTPJTINJVQHJGQ-SFHVURJKSA-N 0 3 351.450 3.191 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC3(CCC3)C2)cc1 ZINC000376585597 499620666 /nfs/dbraw/zinc/62/06/66/499620666.db2.gz CSEWNEHFENABBE-CQSZACIVSA-N 0 3 361.467 3.170 20 30 FGEDHN Cc1cccc(NC2CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000376754780 499633585 /nfs/dbraw/zinc/63/35/85/499633585.db2.gz TYZSRAOAMRWXGB-LJQANCHMSA-N 0 3 373.460 3.047 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCC12CCOCC2)C(C)C ZINC000410091260 499640832 /nfs/dbraw/zinc/64/08/32/499640832.db2.gz YXDQUSSSMFMJEL-MOPGFXCFSA-N 0 3 363.546 3.334 20 30 FGEDHN C=CCN1CC[C@@H](N(CCC)[C@@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000410347523 499656572 /nfs/dbraw/zinc/65/65/72/499656572.db2.gz OSJLVMWVLIEGQZ-NHCUHLMSSA-N 0 3 355.526 3.150 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000377151387 499666341 /nfs/dbraw/zinc/66/63/41/499666341.db2.gz CSAKYXXPHPPFDW-QHAWAJNXSA-N 0 3 361.445 3.001 20 30 FGEDHN CC(C)OCCCNC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411161260 499704876 /nfs/dbraw/zinc/70/48/76/499704876.db2.gz AZTAZEPTXMGDDZ-UHFFFAOYSA-N 0 3 363.546 3.494 20 30 FGEDHN COC[C@@]1(CNCc2ccc(O[C@@H](C)C#N)cc2)OCCc2ccccc21 ZINC000377719225 499725049 /nfs/dbraw/zinc/72/50/49/499725049.db2.gz FKMFJELMNRVMTM-HTAPYJJXSA-N 0 3 366.461 3.182 20 30 FGEDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000377743240 499727597 /nfs/dbraw/zinc/72/75/97/499727597.db2.gz PBDCCCHVHJBVGE-SNPRPXQTSA-N 0 3 368.403 3.273 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCCN(C3CCOCC3)CC2)c1 ZINC000377765567 499730795 /nfs/dbraw/zinc/73/07/95/499730795.db2.gz AFPKXGCFWGIMQJ-UHFFFAOYSA-N 0 3 373.497 3.360 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)[C@H](C)[C@H]3C)sc2C1 ZINC000411429914 499739176 /nfs/dbraw/zinc/73/91/76/499739176.db2.gz NIOLJTKHHKZQGE-RBSFLKMASA-N 0 3 374.554 3.098 20 30 FGEDHN CN1CCC(N(Cc2cnc3ccc(C#N)cn23)Cc2ccccc2)CC1 ZINC000377889940 499745649 /nfs/dbraw/zinc/74/56/49/499745649.db2.gz RCFVIZVPEDOCKE-UHFFFAOYSA-N 0 3 359.477 3.302 20 30 FGEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000411646163 499772742 /nfs/dbraw/zinc/77/27/42/499772742.db2.gz VBMOZOGOQPIMKG-MRXNPFEDSA-N 0 3 374.554 3.083 20 30 FGEDHN C=C(C)COc1cc(CN(C)C(C)(C)CN2CCOCC2)ccc1OC ZINC000414566894 499810223 /nfs/dbraw/zinc/81/02/23/499810223.db2.gz JLPPMKHGZCLYLK-UHFFFAOYSA-N 0 3 362.514 3.193 20 30 FGEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)CN1CCOCC1 ZINC000414572868 499810597 /nfs/dbraw/zinc/81/05/97/499810597.db2.gz XMMZFFCCIPIJNH-UHFFFAOYSA-N 0 3 355.404 3.120 20 30 FGEDHN CN(C)CCOc1ccccc1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416109519 499949346 /nfs/dbraw/zinc/94/93/46/499949346.db2.gz RBQZSKCSBBRGKA-FQEVSTJZSA-N 0 3 363.461 3.306 20 30 FGEDHN C=C(C)C(C)(C)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000424835888 499950990 /nfs/dbraw/zinc/95/09/90/499950990.db2.gz LYWCDEFIWQASAI-FQEVSTJZSA-N 0 3 355.526 3.007 20 30 FGEDHN COc1cc(NC(=O)Nc2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000417189705 499999803 /nfs/dbraw/zinc/99/98/03/499999803.db2.gz WPUFJUQKOBSBMZ-UHFFFAOYSA-N 0 3 354.410 3.151 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421304032 500014157 /nfs/dbraw/zinc/01/41/57/500014157.db2.gz SXIGOBXQTZIZJT-KRWDZBQOSA-N 0 3 357.498 3.030 20 30 FGEDHN COCCN(C)CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421329271 500018169 /nfs/dbraw/zinc/01/81/69/500018169.db2.gz VBEFSLLCLWXMNE-NRFANRHFSA-N 0 3 355.457 3.497 20 30 FGEDHN CCN1CCO[C@@H](CNCc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000421358035 500025035 /nfs/dbraw/zinc/02/50/35/500025035.db2.gz RWLLIHCEKYUEEI-SFTDATJTSA-N 0 3 353.441 3.249 20 30 FGEDHN Cc1cc(NCCCOC2CCN(Cc3ccccc3)CC2)c(C#N)cn1 ZINC000425225487 500049493 /nfs/dbraw/zinc/04/94/93/500049493.db2.gz GHXNVEXDZNTQEN-UHFFFAOYSA-N 0 3 364.493 3.167 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000413826150 500068324 /nfs/dbraw/zinc/06/83/24/500068324.db2.gz HLIRVUMHWPJGIN-QUCCMNQESA-N 0 3 371.525 3.069 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(OCCN(C)C)cc1F)c1cccc(C#N)c1 ZINC000413917082 500094577 /nfs/dbraw/zinc/09/45/77/500094577.db2.gz PTJKTYBZTIZHFV-CQSZACIVSA-N 0 3 355.413 3.380 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)(C)C(=O)OC(C)(C)C)CC1 ZINC000425467555 500114641 /nfs/dbraw/zinc/11/46/41/500114641.db2.gz BRXVPTMFPJSCDW-UHFFFAOYSA-N 0 3 367.534 3.084 20 30 FGEDHN N#Cc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1Cl ZINC000429708558 500127047 /nfs/dbraw/zinc/12/70/47/500127047.db2.gz MZKUJCNNFBKXDB-OLMNPRSZSA-N 0 3 359.857 3.087 20 30 FGEDHN C=CCN(C)CCN(CC)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000429718281 500130521 /nfs/dbraw/zinc/13/05/21/500130521.db2.gz AIRVPZWSDMABGH-UHFFFAOYSA-N 0 3 360.527 3.089 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](c1ccccc1)C(C)(C)CO ZINC000429725531 500132633 /nfs/dbraw/zinc/13/26/33/500132633.db2.gz YQTCIIOZRBQZLJ-FQEVSTJZSA-N 0 3 354.450 3.295 20 30 FGEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000425529869 500134385 /nfs/dbraw/zinc/13/43/85/500134385.db2.gz CUXRMKFRLWEMCB-AWEZNQCLSA-N 0 3 352.394 3.488 20 30 FGEDHN CN(CC#Cc1cccc(Cl)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425943524 500214997 /nfs/dbraw/zinc/21/49/97/500214997.db2.gz RHOZPHVOUHNBAR-JOCHJYFZSA-N 0 3 368.908 3.260 20 30 FGEDHN COC(=O)CCn1nc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000418154361 500238689 /nfs/dbraw/zinc/23/86/89/500238689.db2.gz ZYHNCZUSTWCLAO-FQEVSTJZSA-N 0 3 366.465 3.102 20 30 FGEDHN C=C[C@@H]1CCCCN1C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000426195392 500245993 /nfs/dbraw/zinc/24/59/93/500245993.db2.gz SSYHKYNRFXQPNZ-HXUWFJFHSA-N 0 3 371.525 3.454 20 30 FGEDHN CCOc1ccc(CCC2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1 ZINC000424065622 500446010 /nfs/dbraw/zinc/44/60/10/500446010.db2.gz LXTDUGNANTVPGV-HXUWFJFHSA-N 0 3 357.498 3.278 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000424092441 500451929 /nfs/dbraw/zinc/45/19/29/500451929.db2.gz PBFAFJJVLYFTHI-HZPDHXFCSA-N 0 3 364.287 3.428 20 30 FGEDHN CCOc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)c2ccccc2)cc1 ZINC000424098303 500452793 /nfs/dbraw/zinc/45/27/93/500452793.db2.gz SPYYFNSTFJTHQB-UXHICEINSA-N 0 3 351.450 3.312 20 30 FGEDHN C[C@@H](CN(C)C(=O)[C@H](N)CCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000424167751 500462291 /nfs/dbraw/zinc/46/22/91/500462291.db2.gz HOEORIASLHTEDF-XHDPSFHLSA-N 0 3 358.269 3.240 20 30 FGEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Sc1ccc(Br)cc1 ZINC000424142354 500459382 /nfs/dbraw/zinc/45/93/82/500459382.db2.gz PNTSVFIYJZNUNJ-RISCZKNCSA-N 0 3 370.316 3.067 20 30 FGEDHN C[C@H]1Cc2cc(-c3ccc(CNC(=O)[C@@H](N)CCCC#N)cc3)ccc2O1 ZINC000424166754 500462814 /nfs/dbraw/zinc/46/28/14/500462814.db2.gz GLOUWYUKMINIEA-YWZLYKJASA-N 0 3 363.461 3.314 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000576606903 506197618 /nfs/dbraw/zinc/19/76/18/506197618.db2.gz VWOMYFVVTSDHMA-VQIMIIECSA-N 0 3 372.465 3.458 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C#N)s2)C1 ZINC000420864611 500517879 /nfs/dbraw/zinc/51/78/79/500517879.db2.gz UHYLRFDNAARFKM-INIZCTEOSA-N 0 3 368.506 3.283 20 30 FGEDHN C=CCC1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCOCC1 ZINC000424745105 500555173 /nfs/dbraw/zinc/55/51/73/500555173.db2.gz YVYCNPMPQDQYKI-QGZVFWFLSA-N 0 3 357.498 3.096 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](CCO)CC2)c1 ZINC000421021019 500556041 /nfs/dbraw/zinc/55/60/41/500556041.db2.gz RXBSCHAFHZBBSI-VQTJNVASSA-N 0 3 371.525 3.423 20 30 FGEDHN C=CCC1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCOCC1 ZINC000424811864 500568278 /nfs/dbraw/zinc/56/82/78/500568278.db2.gz MQFQWGGRSVHVMF-UHFFFAOYSA-N 0 3 374.447 3.281 20 30 FGEDHN COC(=O)c1sccc1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433016066 500607105 /nfs/dbraw/zinc/60/71/05/500607105.db2.gz NHIKNMNENFBJSG-HNNXBMFYSA-N 0 3 371.462 3.498 20 30 FGEDHN CCOc1cccc([C@@H]2C[C@H]2NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000437207919 500614324 /nfs/dbraw/zinc/61/43/24/500614324.db2.gz QJERYHFPNVYQIW-SESVDKBCSA-N 0 3 359.429 3.312 20 30 FGEDHN CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433058273 500615986 /nfs/dbraw/zinc/61/59/86/500615986.db2.gz KJSBAMOKBATRKN-UHFFFAOYSA-N 0 3 371.506 3.471 20 30 FGEDHN CCN1CCN(c2cccc(NCc3ccc(C#N)c(OC)c3)c2)CC1 ZINC000442836535 500632689 /nfs/dbraw/zinc/63/26/89/500632689.db2.gz IAMVRPLZDMYTOV-UHFFFAOYSA-N 0 3 350.466 3.321 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000433225217 500650721 /nfs/dbraw/zinc/65/07/21/500650721.db2.gz ALBLBSLKPHLKHZ-QFIPXVFZSA-N 0 3 361.489 3.493 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc(C#N)n2)N(C)C)cc1 ZINC000570716529 506215022 /nfs/dbraw/zinc/21/50/22/506215022.db2.gz KLTVIQUWXBXAHE-SFHVURJKSA-N 0 3 367.453 3.165 20 30 FGEDHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)ccc1C#N ZINC000443989804 500787860 /nfs/dbraw/zinc/78/78/60/500787860.db2.gz RNKNRBIRBQNGDO-CALCHBBNSA-N 0 3 350.466 3.165 20 30 FGEDHN O=C(CN1CCC[C@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444190186 500815758 /nfs/dbraw/zinc/81/57/58/500815758.db2.gz XZPNMVSFOAEAJT-AEFFLSMTSA-N 0 3 364.411 3.438 20 30 FGEDHN CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CN2CCC1CC2 ZINC000444269282 500827103 /nfs/dbraw/zinc/82/71/03/500827103.db2.gz OBZYPFLYHWYRSC-HXUWFJFHSA-N 0 3 350.466 3.111 20 30 FGEDHN N#Cc1cccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1Br ZINC000448832478 500846857 /nfs/dbraw/zinc/84/68/57/500846857.db2.gz VXPCGFGFYIULNV-CQSZACIVSA-N 0 3 362.271 3.021 20 30 FGEDHN COc1cc(CN(CCO)C2CCC2)ccc1OCc1cccc(C#N)c1 ZINC000439290100 500881457 /nfs/dbraw/zinc/88/14/57/500881457.db2.gz TUMLKQSVMQSFBM-UHFFFAOYSA-N 0 3 366.461 3.493 20 30 FGEDHN C=C(C)COc1cc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000435053381 500928371 /nfs/dbraw/zinc/92/83/71/500928371.db2.gz PYTNQKDAUPNPGM-HDICACEKSA-N 0 3 362.514 3.191 20 30 FGEDHN COc1cc(OC)c(C[C@@H](C)NCc2ccc(C#N)cc2F)c(OC)c1 ZINC000449465843 501009517 /nfs/dbraw/zinc/00/95/17/501009517.db2.gz CBQLRZWAPPYIDX-CYBMUJFWSA-N 0 3 358.413 3.444 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](CC)[C@H](C)O)cc1OC ZINC000449532865 501026996 /nfs/dbraw/zinc/02/69/96/501026996.db2.gz ARAXQRVJZYUXGI-FZMZJTMJSA-N 0 3 358.276 3.272 20 30 FGEDHN CN(C)Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)ccc1F ZINC000435926580 501047579 /nfs/dbraw/zinc/04/75/79/501047579.db2.gz JWQPGPXLZOOBNV-GOSISDBHSA-N 0 3 353.441 3.276 20 30 FGEDHN CCO[C@@H]1COC[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000449717059 501067669 /nfs/dbraw/zinc/06/76/69/501067669.db2.gz MLEPPIUOOJFXLN-NHCUHLMSSA-N 0 3 352.434 3.031 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441044957 501079077 /nfs/dbraw/zinc/07/90/77/501079077.db2.gz XYYODHRZVJWPMU-FOIQADDNSA-N 0 3 352.434 3.270 20 30 FGEDHN CN1CCC[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000450350728 501098281 /nfs/dbraw/zinc/09/82/81/501098281.db2.gz RWFWYUCRUTWOGT-XJKSGUPXSA-N 0 3 357.439 3.418 20 30 FGEDHN CC(C)(C)OC(=O)[C@H](CNCc1cnc2ccc(C#N)cn12)C1CCC1 ZINC000596062152 506234197 /nfs/dbraw/zinc/23/41/97/506234197.db2.gz FMDDSONSIBNLMM-QGZVFWFLSA-N 0 3 354.454 3.054 20 30 FGEDHN Cc1cc(N2CCCN(Cc3ccccc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596062974 506236300 /nfs/dbraw/zinc/23/63/00/506236300.db2.gz NXFUNIPGCLZVKN-UHFFFAOYSA-N 0 3 350.422 3.487 20 30 FGEDHN C=CCC[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000441569137 501155510 /nfs/dbraw/zinc/15/55/10/501155510.db2.gz RTXKRPFEBCITQP-FZMZJTMJSA-N 0 3 363.401 3.262 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1C ZINC000442189797 501206513 /nfs/dbraw/zinc/20/65/13/501206513.db2.gz CNQQFGDZDDXDBM-MFKMUULPSA-N 0 3 356.348 3.061 20 30 FGEDHN CN(C)[C@H](CNc1ncc(Br)cc1C#N)Cc1ccccc1 ZINC000450217905 501212535 /nfs/dbraw/zinc/21/25/35/501212535.db2.gz VREOAEXXFXFGQO-INIZCTEOSA-N 0 3 359.271 3.301 20 30 FGEDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000451134596 501247563 /nfs/dbraw/zinc/24/75/63/501247563.db2.gz JBOHKUJNPNCGNT-LQKXBSAESA-N 0 3 356.388 3.349 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1C ZINC000451424011 501290206 /nfs/dbraw/zinc/29/02/06/501290206.db2.gz SKCJYEJJIRZWIZ-HMXCVIKNSA-N 0 3 369.509 3.176 20 30 FGEDHN CCO[C@H]1C[C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000451472278 501300506 /nfs/dbraw/zinc/30/05/06/501300506.db2.gz KEBQEODXFOIGBX-UXHICEINSA-N 0 3 369.509 3.487 20 30 FGEDHN CO[C@]1(C)C[C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C1(C)C ZINC000451483809 501303213 /nfs/dbraw/zinc/30/32/13/501303213.db2.gz FQFYTXZIVSOFHO-GHTZIAJQSA-N 0 3 357.498 3.343 20 30 FGEDHN CO[C@H]1C[C@@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C ZINC000451494507 501305920 /nfs/dbraw/zinc/30/59/20/501305920.db2.gz KWVMPLBQARXNDY-CVEARBPZSA-N 0 3 361.511 3.230 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000457827304 501317785 /nfs/dbraw/zinc/31/77/85/501317785.db2.gz IAVZLRBHJBJYJZ-HMXCVIKNSA-N 0 3 356.510 3.338 20 30 FGEDHN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453450364 501334913 /nfs/dbraw/zinc/33/49/13/501334913.db2.gz HGWIKFAQRVOKJP-KRWDZBQOSA-N 0 3 364.497 3.313 20 30 FGEDHN C=CCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453451066 501334985 /nfs/dbraw/zinc/33/49/85/501334985.db2.gz RTIXHMXBRBANDT-MRXNPFEDSA-N 0 3 373.476 3.101 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000451604374 501335105 /nfs/dbraw/zinc/33/51/05/501335105.db2.gz AGJIKYXWYUEPKJ-LQWHRVPQSA-N 0 3 370.518 3.449 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@@H]2C1 ZINC000455773315 501383210 /nfs/dbraw/zinc/38/32/10/501383210.db2.gz PLWCXYMKSTXGAZ-RHSMWYFYSA-N 0 3 356.470 3.293 20 30 FGEDHN CN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000455797359 501387913 /nfs/dbraw/zinc/38/79/13/501387913.db2.gz VXEWYMSPDLJRAS-MRXNPFEDSA-N 0 3 369.856 3.345 20 30 FGEDHN CC(C)(C)CC(C)(C)N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000451902623 501396675 /nfs/dbraw/zinc/39/66/75/501396675.db2.gz OJOXDNDHATYNON-UHFFFAOYSA-N 0 3 370.541 3.007 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000454272984 501498665 /nfs/dbraw/zinc/49/86/65/501498665.db2.gz SGIHVVMMEPSTOF-ICSRJNTNSA-N 0 3 354.498 3.075 20 30 FGEDHN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456642087 501564831 /nfs/dbraw/zinc/56/48/31/501564831.db2.gz HIDYKHOTGYSJHP-WBVHZDCISA-N 0 3 367.415 3.102 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000459040350 501581495 /nfs/dbraw/zinc/58/14/95/501581495.db2.gz KBVVAHCLWIIDCB-UXHICEINSA-N 0 3 357.498 3.026 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452978190 501595798 /nfs/dbraw/zinc/59/57/98/501595798.db2.gz QRLKBRLONFFFSE-JAXLGGSGSA-N 0 3 366.436 3.086 20 30 FGEDHN CN(C(=O)C(C#N)CCc1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC000456938103 501622830 /nfs/dbraw/zinc/62/28/30/501622830.db2.gz PHUJQAFMDLNAFY-INIZCTEOSA-N 0 3 367.415 3.244 20 30 FGEDHN Cc1cccc2c1C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)CO2 ZINC000598986326 506262843 /nfs/dbraw/zinc/26/28/43/506262843.db2.gz IBZLHJGLTQUFBE-IBGZPJMESA-N 0 3 358.445 3.361 20 30 FGEDHN Cc1nsc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1C#N ZINC000459553188 501675390 /nfs/dbraw/zinc/67/53/90/501675390.db2.gz XABOZSPLCQASQG-HIFRSBDPSA-N 0 3 355.467 3.280 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000459577552 501680226 /nfs/dbraw/zinc/68/02/26/501680226.db2.gz GWEPEWKXBIZVNK-CZUORRHYSA-N 0 3 369.494 3.498 20 30 FGEDHN COc1ccc(CN2CC3(CCC3)[C@@H]3COC[C@H]32)cc1OCCCC#N ZINC000459682263 501698323 /nfs/dbraw/zinc/69/83/23/501698323.db2.gz SKLSQBQOALJXIW-QZTJIDSGSA-N 0 3 356.466 3.379 20 30 FGEDHN Cn1c2cc(CNCc3cccc(OCCCC#N)c3)ccc2oc1=O ZINC000599007062 506274659 /nfs/dbraw/zinc/27/46/59/506274659.db2.gz KKXSRKXPTTUZCO-UHFFFAOYSA-N 0 3 351.406 3.104 20 30 FGEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474224050 501751614 /nfs/dbraw/zinc/75/16/14/501751614.db2.gz XUPIWGLYIWRVGU-HXUWFJFHSA-N 0 3 365.477 3.152 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCSCc2ccccc2C#N)cc1 ZINC000470742771 501789236 /nfs/dbraw/zinc/78/92/36/501789236.db2.gz DQOIKNIOSJLCAC-HXUWFJFHSA-N 0 3 374.469 3.162 20 30 FGEDHN C=CCOCCCN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000470767311 501796044 /nfs/dbraw/zinc/79/60/44/501796044.db2.gz UIIKQPBJQHQMTM-LBPRGKRZSA-N 0 3 356.260 3.464 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)CN1Cc1ccccc1 ZINC000467465303 501801096 /nfs/dbraw/zinc/80/10/96/501801096.db2.gz FLZCSULLYMFVSZ-KDOFPFPSSA-N 0 3 352.413 3.482 20 30 FGEDHN CC(=O)Nc1cccc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470804722 501809434 /nfs/dbraw/zinc/80/94/34/501809434.db2.gz ULGCDDZSHPMTAY-IFXJQAMLSA-N 0 3 360.417 3.076 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000470829715 501821102 /nfs/dbraw/zinc/82/11/02/501821102.db2.gz FHMMKIKCPXTQLT-LPHOPBHVSA-N 0 3 363.392 3.410 20 30 FGEDHN C[C@@H]1CCCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000481586473 501823556 /nfs/dbraw/zinc/82/35/56/501823556.db2.gz ICIPLYDWBUEQDQ-OAHLLOKOSA-N 0 3 352.400 3.295 20 30 FGEDHN C=CCSc1ccccc1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000485461149 501827817 /nfs/dbraw/zinc/82/78/17/501827817.db2.gz CAWBIJPQDGPFBW-UHFFFAOYSA-N 0 3 371.506 3.230 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Br)cc2)cc1 ZINC000470848378 501827841 /nfs/dbraw/zinc/82/78/41/501827841.db2.gz LILTVKMHADKTKI-MRXNPFEDSA-N 0 3 368.234 3.319 20 30 FGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000463819454 501829915 /nfs/dbraw/zinc/82/99/15/501829915.db2.gz RBZHBXQPPOFVLW-QGZVFWFLSA-N 0 3 360.461 3.124 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(F)cc2Cl)cc1 ZINC000470927616 501858923 /nfs/dbraw/zinc/85/89/23/501858923.db2.gz AABYZNWMCDYNED-INIZCTEOSA-N 0 3 355.800 3.392 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000470988916 501883671 /nfs/dbraw/zinc/88/36/71/501883671.db2.gz KGPYABYQWFGVHZ-BBRMVZONSA-N 0 3 353.372 3.439 20 30 FGEDHN CN(C)C1(CN(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCC1 ZINC000474615951 501895070 /nfs/dbraw/zinc/89/50/70/501895070.db2.gz UACLXKZIYJAERF-UHFFFAOYSA-N 0 3 367.449 3.287 20 30 FGEDHN Cc1nn(-c2ccccc2)cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471104654 501921204 /nfs/dbraw/zinc/92/12/04/501921204.db2.gz RKVWCFZDZKFPCX-IBGZPJMESA-N 0 3 369.428 3.051 20 30 FGEDHN CCOC(=O)c1coc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000474704578 501927004 /nfs/dbraw/zinc/92/70/04/501927004.db2.gz BWBYRPXXOKZWJA-MRXNPFEDSA-N 0 3 371.412 3.226 20 30 FGEDHN Cc1ccc2c(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)cn(C)c2c1 ZINC000471165173 501942949 /nfs/dbraw/zinc/94/29/49/501942949.db2.gz MMPLFOYJCDXTPH-FQEVSTJZSA-N 0 3 370.456 3.400 20 30 FGEDHN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460941604 501965573 /nfs/dbraw/zinc/96/55/73/501965573.db2.gz XNWASPXRAPTGLN-KRWDZBQOSA-N 0 3 357.527 3.179 20 30 FGEDHN C=CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000468267909 502013034 /nfs/dbraw/zinc/01/30/34/502013034.db2.gz KWPRGANMZKKWTQ-OAHLLOKOSA-N 0 3 362.412 3.422 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000478694760 502059756 /nfs/dbraw/zinc/05/97/56/502059756.db2.gz AFHLAXVYFMRFAQ-QKLQHJQFSA-N 0 3 357.498 3.341 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1C#N ZINC000468484643 502075690 /nfs/dbraw/zinc/07/56/90/502075690.db2.gz SKVGRSPCDRGHCA-KRWDZBQOSA-N 0 3 372.538 3.403 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCS[C@H](C(C)C)C2)c(OC)c1 ZINC000464775404 502090581 /nfs/dbraw/zinc/09/05/81/502090581.db2.gz QTGPVWPAIPYSOZ-PXNSSMCTSA-N 0 3 365.539 3.237 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000475187916 502093595 /nfs/dbraw/zinc/09/35/95/502093595.db2.gz VDMKTEIVPSLDDQ-UHFFFAOYSA-N 0 3 357.498 3.078 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000475272162 502113055 /nfs/dbraw/zinc/11/30/55/502113055.db2.gz XPEUOLDMEOVHGQ-WBVHZDCISA-N 0 3 357.498 3.076 20 30 FGEDHN C=CCN(CCOC)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000478926268 502123327 /nfs/dbraw/zinc/12/33/27/502123327.db2.gz KFPZFUWNZCSIFW-HXUWFJFHSA-N 0 3 359.514 3.304 20 30 FGEDHN N#Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000461461108 502123659 /nfs/dbraw/zinc/12/36/59/502123659.db2.gz RBXZBHWLBXJFLH-QGZVFWFLSA-N 0 3 373.416 3.123 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)NCCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000588671277 506300007 /nfs/dbraw/zinc/30/00/07/506300007.db2.gz IJOOBLOAHOSXTB-DYESRHJHSA-N 0 3 362.477 3.063 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000468908434 502226455 /nfs/dbraw/zinc/22/64/55/502226455.db2.gz ISDPZQDPQIVHSN-NHCUHLMSSA-N 0 3 356.510 3.135 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000479337551 502227835 /nfs/dbraw/zinc/22/78/35/502227835.db2.gz CLBVTDYXOHSUDH-SFHVURJKSA-N 0 3 361.534 3.284 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000482992267 502238916 /nfs/dbraw/zinc/23/89/16/502238916.db2.gz VXQGKHWNAMSRQS-UHFFFAOYSA-N 0 3 355.463 3.229 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@H](CO)C/C=C\C)cc1OC ZINC000472141062 502245563 /nfs/dbraw/zinc/24/55/63/502245563.db2.gz XLTIPEHLJSANOB-SDQPKGBYSA-N 0 3 370.287 3.439 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cc(F)c(F)cc1F)C(C)C ZINC000486935667 502309905 /nfs/dbraw/zinc/30/99/05/502309905.db2.gz LTFMMNNBKBCLOA-SFHVURJKSA-N 0 3 354.416 3.461 20 30 FGEDHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000462261413 502371655 /nfs/dbraw/zinc/37/16/55/502371655.db2.gz YIIFGIONIWFAST-XGHQBKJUSA-N 0 3 362.477 3.439 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@]2(CCCOC2)C1)C(C)C ZINC000476062163 502373564 /nfs/dbraw/zinc/37/35/64/502373564.db2.gz JLIRHJCSUJSZLZ-CTNGQTDRSA-N 0 3 363.546 3.287 20 30 FGEDHN Cc1cc(C(=O)N[C@H](C)CN2CCCCCC2)nn1-c1cccc(C#N)c1 ZINC000479795013 502380595 /nfs/dbraw/zinc/38/05/95/502380595.db2.gz IGTSYHLJJGQGHF-MRXNPFEDSA-N 0 3 365.481 3.047 20 30 FGEDHN C[C@@H]1CN(CCCCNC(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H](C)O1 ZINC000476306714 502450285 /nfs/dbraw/zinc/45/02/85/502450285.db2.gz RTOSYTSCVOYBQW-QWFCFKBJSA-N 0 3 357.498 3.080 20 30 FGEDHN CN(C)[C@@]1(CNC(=O)c2cn(CCCC#N)c3ccccc23)CCSC1 ZINC000469541086 502457034 /nfs/dbraw/zinc/45/70/34/502457034.db2.gz YWZYQXNHRURENX-HXUWFJFHSA-N 0 3 370.522 3.112 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000487650904 502498604 /nfs/dbraw/zinc/49/86/04/502498604.db2.gz XGKVXPYADOKTEH-UHFFFAOYSA-N 0 3 372.509 3.153 20 30 FGEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000476557181 502523989 /nfs/dbraw/zinc/52/39/89/502523989.db2.gz YDQLJXCOBRIDJN-WBMJQRKESA-N 0 3 358.239 3.404 20 30 FGEDHN C=CCC[C@@H](NCC(=O)Nc1cccc(C(=O)OC)n1)c1ccccc1 ZINC000469786905 502545538 /nfs/dbraw/zinc/54/55/38/502545538.db2.gz QEGHCKOIHLJEOL-MRXNPFEDSA-N 0 3 353.422 3.104 20 30 FGEDHN CS[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H]1N1CCCC1 ZINC000476665553 502555123 /nfs/dbraw/zinc/55/51/23/502555123.db2.gz UEKBXYKFWBFJPL-GUDVDZBRSA-N 0 3 357.523 3.112 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1cc[nH]n1)C(C)C ZINC000480525291 502592204 /nfs/dbraw/zinc/59/22/04/502592204.db2.gz ZJUUAQSYDXHACG-MOPGFXCFSA-N 0 3 359.518 3.345 20 30 FGEDHN COc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1C#N ZINC000463026362 502665275 /nfs/dbraw/zinc/66/52/75/502665275.db2.gz XIYDDGUSYKITBD-JOCHJYFZSA-N 0 3 350.462 3.384 20 30 FGEDHN CN(CCCOCc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000466766759 502670209 /nfs/dbraw/zinc/67/02/09/502670209.db2.gz NQCLVBSZAWWYHJ-NRFANRHFSA-N 0 3 361.445 3.306 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000470182358 502699296 /nfs/dbraw/zinc/69/92/96/502699296.db2.gz KIICBFGQCITZTI-QUCCMNQESA-N 0 3 355.482 3.095 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2ccccc2c(=O)o1)C(C)C ZINC000480894288 502699602 /nfs/dbraw/zinc/69/96/02/502699602.db2.gz PTDLGUGMDXKRIW-SFHVURJKSA-N 0 3 354.450 3.221 20 30 FGEDHN COc1cc(CN2CC[C@H](O)C2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000463235948 502732370 /nfs/dbraw/zinc/73/23/70/502732370.db2.gz OKPDMLZCPLOXGS-NRFANRHFSA-N 0 3 366.461 3.491 20 30 FGEDHN COC[C@H]1CCCCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467122157 502793732 /nfs/dbraw/zinc/79/37/32/502793732.db2.gz KKFJATIRVCNTQF-IBGZPJMESA-N 0 3 357.498 3.299 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463445726 502807638 /nfs/dbraw/zinc/80/76/38/502807638.db2.gz VHENPVDUDWKABD-KNQAVFIVSA-N 0 3 358.526 3.117 20 30 FGEDHN C=CCn1cccc1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000488982350 502853282 /nfs/dbraw/zinc/85/32/82/502853282.db2.gz LMTFGMPOFJTPOY-UHFFFAOYSA-N 0 3 367.493 3.325 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000495952798 502867173 /nfs/dbraw/zinc/86/71/73/502867173.db2.gz JJJUXYPEKJFPNB-UHFFFAOYSA-N 0 3 352.438 3.158 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cncc(Br)c1)C(C)C ZINC000495964294 502868420 /nfs/dbraw/zinc/86/84/20/502868420.db2.gz BOBUYPXPXVHMNP-INIZCTEOSA-N 0 3 366.303 3.273 20 30 FGEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c[nH]1 ZINC000496359755 502885928 /nfs/dbraw/zinc/88/59/28/502885928.db2.gz UFIYAUOMUHKYGW-SNVBAGLBSA-N 0 3 358.304 3.036 20 30 FGEDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000497175591 502924670 /nfs/dbraw/zinc/92/46/70/502924670.db2.gz RIKJWZIKUCGICM-SFHVURJKSA-N 0 3 356.401 3.130 20 30 FGEDHN CC(C)(C(=O)N1CCCN(C2CCCC2)CC1)c1cc(F)cc(C#N)c1 ZINC000513424588 502935246 /nfs/dbraw/zinc/93/52/46/502935246.db2.gz IBVXXMPHIFQSDM-UHFFFAOYSA-N 0 3 357.473 3.452 20 30 FGEDHN CC(C)(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000505887385 503005739 /nfs/dbraw/zinc/00/57/39/503005739.db2.gz YONSWLKFVCDZPV-FQEVSTJZSA-N 0 3 365.452 3.366 20 30 FGEDHN N#Cc1ccc(C2CCN(C[C@H](O)Cc3cccc(Cl)c3)CC2)nc1 ZINC000602909121 506347305 /nfs/dbraw/zinc/34/73/05/506347305.db2.gz YUXCPSFXRBNFRU-LJQANCHMSA-N 0 3 355.869 3.390 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000497818391 503047721 /nfs/dbraw/zinc/04/77/21/503047721.db2.gz USIHKXLEWYITCS-DYESRHJHSA-N 0 3 362.477 3.268 20 30 FGEDHN CCOc1ccccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497897889 503063305 /nfs/dbraw/zinc/06/33/05/503063305.db2.gz KJDUVKWQTIBRHC-UHFFFAOYSA-N 0 3 351.450 3.161 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000506203429 503068312 /nfs/dbraw/zinc/06/83/12/503068312.db2.gz MATHWRLIHVGXGT-IAGOWNOFSA-N 0 3 367.415 3.427 20 30 FGEDHN COc1ccc(C2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000593039710 506352998 /nfs/dbraw/zinc/35/29/98/506352998.db2.gz DENISWKVTUYGNA-UHFFFAOYSA-N 0 3 364.449 3.170 20 30 FGEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000514239798 503122699 /nfs/dbraw/zinc/12/26/99/503122699.db2.gz RZZSWMOUFIWNMX-KURKYZTESA-N 0 3 373.497 3.116 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ncc(C#N)cc1Cl)N(C)C ZINC000510545289 503139965 /nfs/dbraw/zinc/13/99/65/503139965.db2.gz KLXIXLZTUJYYCT-ACJLOTCBSA-N 0 3 356.857 3.336 20 30 FGEDHN N#Cc1cn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c(=O)c2ccccc12 ZINC000596314770 506354103 /nfs/dbraw/zinc/35/41/03/506354103.db2.gz PWNFANAAXYWMKV-FQEVSTJZSA-N 0 3 373.456 3.164 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1COc2ccc(OC)cc2C1)C(C)C ZINC000498355667 503166517 /nfs/dbraw/zinc/16/65/17/503166517.db2.gz QREZKKNAURBCCA-AZUAARDMSA-N 0 3 372.509 3.061 20 30 FGEDHN CC1(c2ccccc2)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000510806759 503196451 /nfs/dbraw/zinc/19/64/51/503196451.db2.gz OZKIICDKDVFVRA-HXUWFJFHSA-N 0 3 350.462 3.352 20 30 FGEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccc(I)cc2)C1 ZINC000511031362 503238286 /nfs/dbraw/zinc/23/82/86/503238286.db2.gz QKRRHGLHOHETEI-OCCSQVGLSA-N 0 3 370.234 3.342 20 30 FGEDHN CC(C)C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N(C)C ZINC000511106794 503256848 /nfs/dbraw/zinc/25/68/48/503256848.db2.gz DGYHORFNNMHOJL-SFHVURJKSA-N 0 3 366.465 3.452 20 30 FGEDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000507253973 503261653 /nfs/dbraw/zinc/26/16/53/503261653.db2.gz TUVTZMBEVLSYGO-AGIUHOORSA-N 0 3 357.483 3.286 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1 ZINC000491086583 503270837 /nfs/dbraw/zinc/27/08/37/503270837.db2.gz UQANYSJWPGUFMA-FUHIMQAGSA-N 0 3 357.498 3.123 20 30 FGEDHN C[C@H](Cc1ccc(F)cc1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507443371 503299826 /nfs/dbraw/zinc/29/98/26/503299826.db2.gz MMOZABRSDGIIHM-QRWLVFNGSA-N 0 3 351.425 3.414 20 30 FGEDHN CC(C)O[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055813 506364025 /nfs/dbraw/zinc/36/40/25/506364025.db2.gz QWUFRTOACCNFRB-CQSZACIVSA-N 0 3 361.511 3.326 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC3(CCSCC3)CC2)cc1 ZINC000602950254 506364482 /nfs/dbraw/zinc/36/44/82/506364482.db2.gz ZQFMNGUVJPOVQB-SFHVURJKSA-N 0 3 360.523 3.102 20 30 FGEDHN COC(=O)c1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507785561 503365684 /nfs/dbraw/zinc/36/56/84/503365684.db2.gz CTHVKSVISKJRSQ-UHFFFAOYSA-N 0 3 350.418 3.388 20 30 FGEDHN N#Cc1ccc(OC2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000507846237 503378905 /nfs/dbraw/zinc/37/89/05/503378905.db2.gz GKPQCYYOUASYAR-UHFFFAOYSA-N 0 3 374.444 3.302 20 30 FGEDHN CC1(C)C[C@@H](NC[C@H](O)COc2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000515832177 503408853 /nfs/dbraw/zinc/40/88/53/503408853.db2.gz MRNWWEJDGXCVOY-QFBILLFUSA-N 0 3 370.424 3.329 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000508037293 503417712 /nfs/dbraw/zinc/41/77/12/503417712.db2.gz GEXNAROBZLBUFT-NRFANRHFSA-N 0 3 369.509 3.296 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000493504750 503430492 /nfs/dbraw/zinc/43/04/92/503430492.db2.gz TYWYHMYQEXEUQH-LSBZLQRGSA-N 0 3 361.511 3.018 20 30 FGEDHN C[C@H](NC(=O)NCCc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000503904746 503486296 /nfs/dbraw/zinc/48/62/96/503486296.db2.gz AYFXEXFVSZYOOY-OXJNMPFZSA-N 0 3 350.466 3.091 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CSC[C@@H]2C)c1C#N ZINC000512217626 503489566 /nfs/dbraw/zinc/48/95/66/503489566.db2.gz GXTKOMRTVGEPMA-YVEFUNNKSA-N 0 3 360.527 3.371 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000611966874 506376428 /nfs/dbraw/zinc/37/64/28/506376428.db2.gz CMRGJMWEAIQDFQ-LSDHHAIUSA-N 0 3 365.433 3.413 20 30 FGEDHN CN1C(=O)C[C@H](NCCOc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000494270787 503517373 /nfs/dbraw/zinc/51/73/73/503517373.db2.gz KIINQPGBBPSUED-AZUAARDMSA-N 0 3 369.852 3.152 20 30 FGEDHN C[C@H](NC(=O)NCC#Cc1cccc(F)c1)[C@H](c1ccccc1)N(C)C ZINC000504410108 503569718 /nfs/dbraw/zinc/56/97/18/503569718.db2.gz CIBIJCSEOFWLGZ-OXJNMPFZSA-N 0 3 353.441 3.168 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC#Cc1cccc(F)c1)N(C)C ZINC000504452849 503576935 /nfs/dbraw/zinc/57/69/35/503576935.db2.gz WXJNHRHEYIRDCS-LAUBAEHRSA-N 0 3 367.468 3.476 20 30 FGEDHN Cc1nc2ccccn2c1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512622753 503597629 /nfs/dbraw/zinc/59/76/29/503597629.db2.gz NXGHACJZLBYFSC-UHFFFAOYSA-N 0 3 373.460 3.365 20 30 FGEDHN C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512635780 503600551 /nfs/dbraw/zinc/60/05/51/503600551.db2.gz IINMZHUCODCCNJ-KDOFPFPSSA-N 0 3 359.470 3.483 20 30 FGEDHN CS[C@H]1CN(c2cccc(Br)c2C#N)C[C@@H]1N1CCCC1 ZINC000517063706 503652363 /nfs/dbraw/zinc/65/23/63/503652363.db2.gz NAZWQDRIHZWZSI-HOTGVXAUSA-N 0 3 366.328 3.337 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(-n2ccnn2)c1)C(C)C ZINC000495227739 503704988 /nfs/dbraw/zinc/70/49/88/503704988.db2.gz BTBYDJYQVIIFSF-IBGZPJMESA-N 0 3 368.485 3.087 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000530234021 503885744 /nfs/dbraw/zinc/88/57/44/503885744.db2.gz MTQUVYVBFGVMOT-DNVCBOLYSA-N 0 3 358.388 3.243 20 30 FGEDHN C[C@H](NCC1(c2ccc(F)cc2F)CCCC1)C(=O)NC1(C#N)CCC1 ZINC000530327036 503927464 /nfs/dbraw/zinc/92/74/64/503927464.db2.gz SBHDJXKNXQNETG-AWEZNQCLSA-N 0 3 361.436 3.317 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)OCC ZINC000533716145 503932379 /nfs/dbraw/zinc/93/23/79/503932379.db2.gz XCAICQPSDZEKPB-OAQYLSRUSA-N 0 3 374.525 3.395 20 30 FGEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533762700 503945739 /nfs/dbraw/zinc/94/57/39/503945739.db2.gz XUTWPHSWIGVGAJ-UHOSZYNNSA-N 0 3 356.466 3.370 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000537615183 503974797 /nfs/dbraw/zinc/97/47/97/503974797.db2.gz WERVLJSZYPFQIS-ZWKOTPCHSA-N 0 3 359.477 3.301 20 30 FGEDHN N#Cc1ccccc1OCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541021872 503977110 /nfs/dbraw/zinc/97/71/10/503977110.db2.gz SWJUZUCSYHLNQW-INIZCTEOSA-N 0 3 350.340 3.279 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(OC(C)C)CC1)C(C)C ZINC000530678003 504050196 /nfs/dbraw/zinc/05/01/96/504050196.db2.gz VULLAYMVBAMXFO-IBGZPJMESA-N 0 3 351.535 3.284 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C2CCOCC2)C1 ZINC000534381618 504126376 /nfs/dbraw/zinc/12/63/76/504126376.db2.gz AZGJFWAXFMDIGZ-FUHWJXTLSA-N 0 3 362.539 3.400 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000538231065 504170447 /nfs/dbraw/zinc/17/04/47/504170447.db2.gz WFFFVCFSQPSFRX-SFHVURJKSA-N 0 3 367.445 3.162 20 30 FGEDHN COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(C)C ZINC000541593918 504192444 /nfs/dbraw/zinc/19/24/44/504192444.db2.gz IDRYVBXBKPCUIP-IBGZPJMESA-N 0 3 368.481 3.165 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccc(OC)c(OC)c3)CCC2)CC1 ZINC000541667264 504214565 /nfs/dbraw/zinc/21/45/65/504214565.db2.gz RMESURQQRLVINA-UHFFFAOYSA-N 0 3 372.509 3.282 20 30 FGEDHN C=C[C@H](CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000534689402 504216220 /nfs/dbraw/zinc/21/62/20/504216220.db2.gz AIKWKQMXUIYZTB-NFBKMPQASA-N 0 3 364.489 3.100 20 30 FGEDHN C=CCNC(=O)c1ccc(N2CCN(Cc3ccccc3)[C@@H](CC)C2)nc1 ZINC000544700584 504224980 /nfs/dbraw/zinc/22/49/80/504224980.db2.gz BNJMRQYSUQZGGS-FQEVSTJZSA-N 0 3 364.493 3.098 20 30 FGEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000531330865 504268891 /nfs/dbraw/zinc/26/88/91/504268891.db2.gz UMRBKSQXJFZXKU-CQSZACIVSA-N 0 3 358.419 3.308 20 30 FGEDHN Cc1nn(CC(F)F)c(C)c1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000544872068 504286520 /nfs/dbraw/zinc/28/65/20/504286520.db2.gz PUTPDSDYGANUBS-GFCCVEGCSA-N 0 3 357.364 3.142 20 30 FGEDHN C=CC[C@H](CC)NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000538615051 504304038 /nfs/dbraw/zinc/30/40/38/504304038.db2.gz MRGYTOYIGOXYHZ-IBGZPJMESA-N 0 3 358.530 3.243 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1cccs1 ZINC000541969042 504318877 /nfs/dbraw/zinc/31/88/77/504318877.db2.gz YEXJZMSRPHIQAG-SJLPKXTDSA-N 0 3 360.527 3.466 20 30 FGEDHN C=CCN(Cc1ccc(OC)c(O)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538733451 504349305 /nfs/dbraw/zinc/34/93/05/504349305.db2.gz RZWBKXFLPAWDCG-OAHLLOKOSA-N 0 3 365.437 3.126 20 30 FGEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000528753378 504364539 /nfs/dbraw/zinc/36/45/39/504364539.db2.gz BJAUAEZABCFUKJ-ZVZLLHMNSA-N 0 3 361.511 3.229 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778848 504376115 /nfs/dbraw/zinc/37/61/15/504376115.db2.gz NQXZJGVOWNRAOB-XLIONFOSSA-N 0 3 369.509 3.191 20 30 FGEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000528922409 504450887 /nfs/dbraw/zinc/45/08/87/504450887.db2.gz WMJDJDGLSSUHSE-RNIPGJKVSA-N 0 3 364.832 3.251 20 30 FGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(C2CC2)c1 ZINC000528921059 504451289 /nfs/dbraw/zinc/45/12/89/504451289.db2.gz RUBWMMOMYZPLRS-AWEZNQCLSA-N 0 3 363.204 3.486 20 30 FGEDHN CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC000528986965 504483786 /nfs/dbraw/zinc/48/37/86/504483786.db2.gz IMFGKSBIRDANOM-VAMGGRTRSA-N 0 3 362.477 3.447 20 30 FGEDHN C=CC[C@H](CO)CNCc1cc(Br)ccc1OC(F)F ZINC000539223937 504502455 /nfs/dbraw/zinc/50/24/55/504502455.db2.gz QDMGAOUKGIMFJX-JTQLQIEISA-N 0 3 350.203 3.325 20 30 FGEDHN CC(C)C[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000539241948 504509687 /nfs/dbraw/zinc/50/96/87/504509687.db2.gz OJPQXYMOETZFRA-LEWJYISDSA-N 0 3 370.541 3.056 20 30 FGEDHN N#CCNC(=O)CN[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000542530047 504528692 /nfs/dbraw/zinc/52/86/92/504528692.db2.gz CWVKBKWJRRFBDL-GOEBONIOSA-N 0 3 353.388 3.351 20 30 FGEDHN CN(C)CCOc1cccc(-c2noc(COc3ccc(C#N)cc3)n2)c1 ZINC000545676578 504559220 /nfs/dbraw/zinc/55/92/20/504559220.db2.gz TZGFMVYCSFHWMJ-UHFFFAOYSA-N 0 3 364.405 3.128 20 30 FGEDHN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000548851110 504591308 /nfs/dbraw/zinc/59/13/08/504591308.db2.gz AERUGRHLGMFWBX-LJQANCHMSA-N 0 3 362.481 3.067 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccccc2OC(F)(F)F)s1 ZINC000539511233 504595430 /nfs/dbraw/zinc/59/54/30/504595430.db2.gz DWYUYCWTMXMAHB-LBPRGKRZSA-N 0 3 370.396 3.459 20 30 FGEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521136659 504658059 /nfs/dbraw/zinc/65/80/59/504658059.db2.gz NPFIGLUHPGDCOP-SFHVURJKSA-N 0 3 364.449 3.302 20 30 FGEDHN CCC(CC)(CNS(=O)(=O)CCCC#N)N[C@@H](C)c1ccccc1 ZINC000521170726 504668280 /nfs/dbraw/zinc/66/82/80/504668280.db2.gz XLYDBWRYHHLCAR-INIZCTEOSA-N 0 3 351.516 3.119 20 30 FGEDHN CCO[C@@H]1COCC[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000546058847 504693062 /nfs/dbraw/zinc/69/30/62/504693062.db2.gz CTQKHMLDLVZDRX-FCHUYYIVSA-N 0 3 366.461 3.421 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000521435141 504736752 /nfs/dbraw/zinc/73/67/52/504736752.db2.gz PVFIMBZPTPIMGP-KRWDZBQOSA-N 0 3 351.454 3.205 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc1 ZINC000556155901 504806603 /nfs/dbraw/zinc/80/66/03/504806603.db2.gz BJKIRMDEWCBLQR-IBGZPJMESA-N 0 3 355.482 3.338 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)N2CCCN(CC3CCC3)CC2)c1 ZINC000549844597 504914772 /nfs/dbraw/zinc/91/47/72/504914772.db2.gz CJGNQDKMOHSJAG-UHFFFAOYSA-N 0 3 369.509 3.442 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000559793504 504927979 /nfs/dbraw/zinc/92/79/79/504927979.db2.gz BJNFUYGCWLECEN-AEFFLSMTSA-N 0 3 358.482 3.334 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000553504136 504933480 /nfs/dbraw/zinc/93/34/80/504933480.db2.gz JAAGRDUYTTWPEC-HIFRSBDPSA-N 0 3 370.522 3.251 20 30 FGEDHN N#Cc1ccc(CNCCNC(=O)CC2CCCC2)c(C(F)(F)F)c1 ZINC000562904741 504982130 /nfs/dbraw/zinc/98/21/30/504982130.db2.gz MCIOWHNDXNFVJK-UHFFFAOYSA-N 0 3 353.388 3.363 20 30 FGEDHN C=CCSCCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000553843508 505023674 /nfs/dbraw/zinc/02/36/74/505023674.db2.gz PLIFYMFVHJOZPK-HXUWFJFHSA-N 0 3 359.539 3.213 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)n2c1 ZINC000560257055 505031217 /nfs/dbraw/zinc/03/12/17/505031217.db2.gz JZQARGGJAVCBQG-HKUYNNGSSA-N 0 3 354.360 3.104 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000557182637 505086976 /nfs/dbraw/zinc/08/69/76/505086976.db2.gz XXPWOBHXVLGQFT-HXUWFJFHSA-N 0 3 358.445 3.320 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000566123483 505089209 /nfs/dbraw/zinc/08/92/09/505089209.db2.gz AISPUVWZQMTSDL-URLQWDBASA-N 0 3 360.816 3.236 20 30 FGEDHN C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563507166 505160674 /nfs/dbraw/zinc/16/06/74/505160674.db2.gz KKLNXIOXFNOBNN-UHFFFAOYSA-N 0 3 351.450 3.431 20 30 FGEDHN C=C(C)[C@H](CC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)OCC ZINC000557647325 505192504 /nfs/dbraw/zinc/19/25/04/505192504.db2.gz ZDMMCECGEHWPNI-UNMCSNQZSA-N 0 3 356.510 3.482 20 30 FGEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1CCCCN1C1CC1 ZINC000557673849 505199207 /nfs/dbraw/zinc/19/92/07/505199207.db2.gz KWXAVVZNEBHSPP-ZDUSSCGKSA-N 0 3 360.383 3.374 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)CCC2CCCCC2)CC1 ZINC000557768870 505226170 /nfs/dbraw/zinc/22/61/70/505226170.db2.gz KFMGVKROMNDPBF-KRWDZBQOSA-N 0 3 363.546 3.008 20 30 FGEDHN C[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN(C2CCC2)C1 ZINC000557832852 505240952 /nfs/dbraw/zinc/24/09/52/505240952.db2.gz FHFWFYZVVGMQTI-HNNXBMFYSA-N 0 3 357.473 3.308 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(C(=O)OC)cc1Br ZINC000551583733 505260647 /nfs/dbraw/zinc/26/06/47/505260647.db2.gz RSKWDVXPMMEUIM-GDBMZVCRSA-N 0 3 368.271 3.307 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(c3nccc(C#N)c3Cl)CC2)C[C@@H](C)O1 ZINC000561235265 505288283 /nfs/dbraw/zinc/28/82/83/505288283.db2.gz AOLXHMCGHIFNPP-HUUCEWRRSA-N 0 3 362.905 3.322 20 30 FGEDHN CN(c1cc(N)c([N+](=O)[O-])c(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000561264697 505298245 /nfs/dbraw/zinc/29/82/45/505298245.db2.gz XTJDTXGVIMTZJV-QGZVFWFLSA-N 0 3 365.437 3.149 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNCc2csc3ccccc23)cc1 ZINC000566925625 505313347 /nfs/dbraw/zinc/31/33/47/505313347.db2.gz GFBNCIVSPYQHAK-QGZVFWFLSA-N 0 3 352.459 3.497 20 30 FGEDHN Cc1cc(CCNCCS(=O)(=O)c2cccc(C#N)c2)ccc1Cl ZINC000567378657 505445559 /nfs/dbraw/zinc/44/55/59/505445559.db2.gz MCUSYRSTSLJUTJ-UHFFFAOYSA-N 0 3 362.882 3.126 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCCc3ccccc32)c1 ZINC000558718121 505472912 /nfs/dbraw/zinc/47/29/12/505472912.db2.gz JIAOJKXGXCSRTN-GOSISDBHSA-N 0 3 354.475 3.042 20 30 FGEDHN C[C@@]1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCCc2ccccc21 ZINC000567685481 505535733 /nfs/dbraw/zinc/53/57/33/505535733.db2.gz ANJSIAKBSWGOHY-NRFANRHFSA-N 0 3 368.502 3.216 20 30 FGEDHN CC(C)(C)c1ccc(S(=O)(=O)CCNCCc2cccc(C#N)c2)cc1 ZINC000564865005 505543777 /nfs/dbraw/zinc/54/37/77/505543777.db2.gz VBTDGLIENZKGAG-UHFFFAOYSA-N 0 3 370.518 3.462 20 30 FGEDHN N#CCc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000567751872 505556394 /nfs/dbraw/zinc/55/63/94/505556394.db2.gz QDUIKQRANAJGNF-NRFANRHFSA-N 0 3 362.477 3.216 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN[C@@H]1CCCn3nccc31)CCCC2 ZINC000603027673 506386173 /nfs/dbraw/zinc/38/61/73/506386173.db2.gz MJBWXMCGCDKZGD-OAHLLOKOSA-N 0 3 369.494 3.148 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CCN1CCCCC1 ZINC000593111768 506399861 /nfs/dbraw/zinc/39/98/61/506399861.db2.gz IXQSPPPLZBIMQN-QGZVFWFLSA-N 0 3 374.554 3.295 20 30 FGEDHN C[C@@H]1SCCN(C[C@@H](O)CC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000599301341 506403420 /nfs/dbraw/zinc/40/34/20/506403420.db2.gz CYAYEQUPKFRIOB-WDSOQIARSA-N 0 3 360.523 3.236 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC[C@H](c3nc4ccccc4o3)C2)CCOCC1 ZINC000599313137 506409757 /nfs/dbraw/zinc/40/97/57/506409757.db2.gz FWKHMBQHUZFGBD-DLBZAZTESA-N 0 3 369.465 3.079 20 30 FGEDHN Cc1cc([C@H](NC[C@@H](O)COc2ccccc2C#N)C2CC2)ccc1F ZINC000599353811 506423715 /nfs/dbraw/zinc/42/37/15/506423715.db2.gz QSOWNDPEASSGJZ-WIYYLYMNSA-N 0 3 354.425 3.486 20 30 FGEDHN CCOc1ccccc1[C@@H](CC)NC[C@H](O)COc1ccccc1C#N ZINC000599351106 506424814 /nfs/dbraw/zinc/42/48/14/506424814.db2.gz XJMCNKKRQQKMJO-PKOBYXMFSA-N 0 3 354.450 3.438 20 30 FGEDHN C[C@@]1(C#N)CCCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000612115408 506444031 /nfs/dbraw/zinc/44/40/31/506444031.db2.gz ILIPDVKHKCAUQD-FPOVZHCZSA-N 0 3 354.498 3.234 20 30 FGEDHN CN1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000589284823 506507267 /nfs/dbraw/zinc/50/72/67/506507267.db2.gz ZIMDICXMFFBOAC-MJGOQNOKSA-N 0 3 374.916 3.017 20 30 FGEDHN C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591553 506517039 /nfs/dbraw/zinc/51/70/39/506517039.db2.gz VOTMTFZDKOSOGH-YJBOKZPZSA-N 0 3 371.481 3.187 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599623794 506535339 /nfs/dbraw/zinc/53/53/39/506535339.db2.gz CDMXZIVMFRWQLC-FACIQBDNSA-N 0 3 361.511 3.278 20 30 FGEDHN CN(C)C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628196 506538554 /nfs/dbraw/zinc/53/85/54/506538554.db2.gz QEXZJQNXLNAKKK-CZUORRHYSA-N 0 3 358.313 3.486 20 30 FGEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(CN(C)C)cc1 ZINC000599658569 506559954 /nfs/dbraw/zinc/55/99/54/506559954.db2.gz BXOVQFPVKWQXTG-UHFFFAOYSA-N 0 3 350.466 3.080 20 30 FGEDHN N#Cc1ccc(Oc2ccc(NC(=O)NCCN3CCCCC3)cn2)cc1 ZINC000603689198 506595835 /nfs/dbraw/zinc/59/58/35/506595835.db2.gz BQXPEXRXEIMIFU-UHFFFAOYSA-N 0 3 365.437 3.353 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(C(C)(C)O)CC1 ZINC000593426561 506613429 /nfs/dbraw/zinc/61/34/29/506613429.db2.gz MLSAGZBJQXXDIK-UHFFFAOYSA-N 0 3 371.525 3.026 20 30 FGEDHN CN(CCCOc1ccc(Cl)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603844595 506631577 /nfs/dbraw/zinc/63/15/77/506631577.db2.gz RKXSKMKNOSFBMK-SFHVURJKSA-N 0 3 374.868 3.352 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000596844211 506632118 /nfs/dbraw/zinc/63/21/18/506632118.db2.gz KINMEPNRWARLJL-KRWDZBQOSA-N 0 3 374.485 3.413 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000596845859 506634655 /nfs/dbraw/zinc/63/46/55/506634655.db2.gz VIEXMFZMZQEVGG-SFHVURJKSA-N 0 3 354.498 3.376 20 30 FGEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2(C#N)CCCCC2)C1 ZINC000596861945 506641523 /nfs/dbraw/zinc/64/15/23/506641523.db2.gz SKODSXRXSBRKLR-IBGZPJMESA-N 0 3 354.498 3.376 20 30 FGEDHN CCN(C(=O)CC1(C#N)CCOCC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000596886443 506657470 /nfs/dbraw/zinc/65/74/70/506657470.db2.gz IXJRTSMMBZZXNJ-QUCCMNQESA-N 0 3 369.509 3.381 20 30 FGEDHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593526788 506670961 /nfs/dbraw/zinc/67/09/61/506670961.db2.gz YLNAEMJTFKCZEB-UHFFFAOYSA-N 0 3 371.506 3.028 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000596912224 506672950 /nfs/dbraw/zinc/67/29/50/506672950.db2.gz LIKGNRQJALLLIX-UHFFFAOYSA-N 0 3 361.367 3.180 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(C(=O)OC)c[nH]c3c2)CC1 ZINC000599852768 506678950 /nfs/dbraw/zinc/67/89/50/506678950.db2.gz RXFWCYJXRXBSFL-UHFFFAOYSA-N 0 3 370.453 3.117 20 30 FGEDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000593582591 506692981 /nfs/dbraw/zinc/69/29/81/506692981.db2.gz UFPCCCPTZWVNDC-SFHVURJKSA-N 0 3 365.543 3.132 20 30 FGEDHN N#CC1(CNC2CCC(N3C(=O)c4ccccc4C3=O)CC2)CCCC1 ZINC000593654932 506716203 /nfs/dbraw/zinc/71/62/03/506716203.db2.gz ROKZXNCTKCDQRW-UHFFFAOYSA-N 0 3 351.450 3.267 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000593686949 506731612 /nfs/dbraw/zinc/73/16/12/506731612.db2.gz BBUCQNACEVZVHQ-UHFFFAOYSA-N 0 3 371.488 3.498 20 30 FGEDHN COc1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000593688403 506732353 /nfs/dbraw/zinc/73/23/53/506732353.db2.gz QUHSFWDRLUMFNM-UHFFFAOYSA-N 0 3 365.477 3.330 20 30 FGEDHN CCc1nn(C)c(CC)c1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693442 506734055 /nfs/dbraw/zinc/73/40/55/506734055.db2.gz ZPAKKDHKXFJDNR-UHFFFAOYSA-N 0 3 365.525 3.171 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(-c2nncnn2)cc1 ZINC000593718383 506746930 /nfs/dbraw/zinc/74/69/30/506746930.db2.gz FZKYVYBXJGBHTA-HXUWFJFHSA-N 0 3 356.433 3.363 20 30 FGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1(C#N)CC1 ZINC000590188322 506760110 /nfs/dbraw/zinc/76/01/10/506760110.db2.gz UOFDDZWGNUBGIJ-UHFFFAOYSA-N 0 3 353.388 3.289 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc2ccccc2n1CC#N ZINC000609168534 506802441 /nfs/dbraw/zinc/80/24/41/506802441.db2.gz ZTNJGOAXJGZMNK-UHFFFAOYSA-N 0 3 360.461 3.369 20 30 FGEDHN N#Cc1ccccc1COc1cccc(CN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000597176752 506814406 /nfs/dbraw/zinc/81/44/06/506814406.db2.gz VXZKGWWWQODVID-LJQANCHMSA-N 0 3 373.460 3.251 20 30 FGEDHN C=CCOc1ccc(CNC2(CC(=O)OCC)CCOCC2)cc1Cl ZINC000597236434 506853728 /nfs/dbraw/zinc/85/37/28/506853728.db2.gz SQNOCWGEBRVCAB-UHFFFAOYSA-N 0 3 367.873 3.497 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000600227715 506859608 /nfs/dbraw/zinc/85/96/08/506859608.db2.gz FECUKNIZXMCROM-SFTDATJTSA-N 0 3 366.509 3.050 20 30 FGEDHN COC(=O)[C@@H](C)CN(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000604540942 506867705 /nfs/dbraw/zinc/86/77/05/506867705.db2.gz WEZBTPVWFYYROM-KRWDZBQOSA-N 0 3 352.434 3.248 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)NCC1(Sc2ccccc2)CCCC1 ZINC000609466178 506890663 /nfs/dbraw/zinc/89/06/63/506890663.db2.gz RHMKGKIMYQOQQF-HNNXBMFYSA-N 0 3 361.511 3.081 20 30 FGEDHN CC[C@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H]1CCCCO1 ZINC000594040712 506900774 /nfs/dbraw/zinc/90/07/74/506900774.db2.gz AZDMHZJCBAXUJJ-ICSRJNTNSA-N 0 3 357.498 3.487 20 30 FGEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000594042900 506902264 /nfs/dbraw/zinc/90/22/64/506902264.db2.gz FSVWPUUDCTXJAI-CYBMUJFWSA-N 0 3 356.438 3.136 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@H](CC(=O)OC(C)C)C(C)C)c(C#N)c1C ZINC000594045531 506903703 /nfs/dbraw/zinc/90/37/03/506903703.db2.gz ITHNBDSXSGVYDA-HNNXBMFYSA-N 0 3 365.499 3.131 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1C ZINC000590756342 506939856 /nfs/dbraw/zinc/93/98/56/506939856.db2.gz QTSHBSSCLLRNPO-UIFIKXQLSA-N 0 3 369.509 3.343 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)C[C@H]1C ZINC000597422747 506944438 /nfs/dbraw/zinc/94/44/38/506944438.db2.gz QEZZUGGYKNOCEH-HZPDHXFCSA-N 0 3 364.497 3.146 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCc2ccccc2CC1)C(C)C ZINC000604810017 506950916 /nfs/dbraw/zinc/95/09/16/506950916.db2.gz LSOCTANEGBMQAX-OAQYLSRUSA-N 0 3 355.526 3.495 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000613206117 506967280 /nfs/dbraw/zinc/96/72/80/506967280.db2.gz OTEXHJQACUUHIK-XLIONFOSSA-N 0 3 372.472 3.415 20 30 FGEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000609840311 507021033 /nfs/dbraw/zinc/02/10/33/507021033.db2.gz GFWTVTCCTPDCDS-CQSZACIVSA-N 0 3 357.454 3.358 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CN1Cc1ccccc1 ZINC000594227728 507023990 /nfs/dbraw/zinc/02/39/90/507023990.db2.gz DBYOZQBHNOWMGQ-IIBYNOLFSA-N 0 3 360.461 3.246 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CCN1Cc1ccccc1 ZINC000594242965 507036976 /nfs/dbraw/zinc/03/69/76/507036976.db2.gz GXAZRVMQNJJRGN-IIBYNOLFSA-N 0 3 360.461 3.246 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609920398 507050631 /nfs/dbraw/zinc/05/06/31/507050631.db2.gz JOJONJPKGYFILY-HXUWFJFHSA-N 0 3 354.498 3.210 20 30 FGEDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000613389720 507065188 /nfs/dbraw/zinc/06/51/88/507065188.db2.gz LQGSPZSHYKAFQF-DOZCWEBVSA-N 0 3 371.525 3.060 20 30 FGEDHN C[C@@H](CNC[C@H](O)COc1ccccc1C#N)Oc1cccc(Cl)c1 ZINC000600723347 507083578 /nfs/dbraw/zinc/08/35/78/507083578.db2.gz KVKPQPAEVWFZQE-YOEHRIQHSA-N 0 3 360.841 3.008 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccccc1N1CCCCC1 ZINC000600729548 507086554 /nfs/dbraw/zinc/08/65/54/507086554.db2.gz BCPMPCKAAUDBHO-HXUWFJFHSA-N 0 3 365.477 3.078 20 30 FGEDHN Cc1cc(C(F)(F)F)ccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600736265 507090364 /nfs/dbraw/zinc/09/03/64/507090364.db2.gz WZSUSWYQEJDJPB-KRWDZBQOSA-N 0 3 364.367 3.415 20 30 FGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000594430655 507129691 /nfs/dbraw/zinc/12/96/91/507129691.db2.gz AKTKEKJJUMRQNL-SWLSCSKDSA-N 0 3 357.376 3.216 20 30 FGEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1cccc(Br)c1 ZINC000594435688 507131499 /nfs/dbraw/zinc/13/14/99/507131499.db2.gz FZYDHBRSPRXFFN-HNNXBMFYSA-N 0 3 366.303 3.254 20 30 FGEDHN CC(C)(Cc1ccc(Br)cc1)NC(=O)[C@H](N)CCCCC#N ZINC000594437368 507132396 /nfs/dbraw/zinc/13/23/96/507132396.db2.gz LQFAHELKYXRVBR-OAHLLOKOSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000594438754 507133024 /nfs/dbraw/zinc/13/30/24/507133024.db2.gz LGRPARHUFXZRSK-SJLPKXTDSA-N 0 3 356.857 3.352 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)C[C@@H]1C ZINC000584119918 507163388 /nfs/dbraw/zinc/16/33/88/507163388.db2.gz PJEHECRWJVBORZ-GJZGRUSLSA-N 0 3 350.470 3.071 20 30 FGEDHN C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCC1(C#N)CCC1 ZINC000591323109 507201097 /nfs/dbraw/zinc/20/10/97/507201097.db2.gz LKCPQMXZEQUTFT-KRWDZBQOSA-N 0 3 355.482 3.363 20 30 FGEDHN C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCN(C2CC2)C1 ZINC000591406500 507237762 /nfs/dbraw/zinc/23/77/62/507237762.db2.gz KLAFRKYYVCSJKT-YWZLYKJASA-N 0 3 352.482 3.061 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000584261615 507241947 /nfs/dbraw/zinc/24/19/47/507241947.db2.gz NCFAATZJAUTIOD-JTHBVZDNSA-N 0 3 361.489 3.426 20 30 FGEDHN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)C(=O)NC1(C#N)CCCCC1 ZINC000594717159 507250488 /nfs/dbraw/zinc/25/04/88/507250488.db2.gz HUINVJSWRBKLIP-GVDBMIGSSA-N 0 3 361.530 3.433 20 30 FGEDHN N#CC1(c2ccc(CNC[C@@H]3CN(Cc4ccccc4)CCO3)cc2)CC1 ZINC000594919167 507313985 /nfs/dbraw/zinc/31/39/85/507313985.db2.gz PQDNRQTYTQKSHF-JOCHJYFZSA-N 0 3 361.489 3.232 20 30 FGEDHN N#CC1(c2ccc(CNCCNC(=O)CCCc3ccccc3)cc2)CC1 ZINC000594952478 507329187 /nfs/dbraw/zinc/32/91/87/507329187.db2.gz ZXFLZOALUPFMRK-UHFFFAOYSA-N 0 3 361.489 3.470 20 30 FGEDHN COc1cc(CNC[C@](C)(COCc2ccccc2)OC)ccc1C#N ZINC000594974958 507337444 /nfs/dbraw/zinc/33/74/44/507337444.db2.gz OTBRYRONJYUBIF-OAQYLSRUSA-N 0 3 354.450 3.278 20 30 FGEDHN Cc1nn(-c2ccncc2)cc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594985078 507341421 /nfs/dbraw/zinc/34/14/21/507341421.db2.gz VNEUQZQOZDIJBW-UHFFFAOYSA-N 0 3 373.460 3.243 20 30 FGEDHN C[C@H](CN1CCC(C)CC1)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000598262466 507349434 /nfs/dbraw/zinc/34/94/34/507349434.db2.gz KPLFGVPMPXIWHQ-GOSISDBHSA-N 0 3 357.498 3.344 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000591764044 507352720 /nfs/dbraw/zinc/35/27/20/507352720.db2.gz TWSRLNJRKHAGFT-MJGOQNOKSA-N 0 3 372.465 3.397 20 30 FGEDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614168489 507393767 /nfs/dbraw/zinc/39/37/67/507393767.db2.gz DWBCKPVEDQBVGT-OAQYLSRUSA-N 0 3 354.542 3.088 20 30 FGEDHN CC(C)(C#N)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000614175615 507394858 /nfs/dbraw/zinc/39/48/58/507394858.db2.gz ZZEKAWQCFSACSL-KRWDZBQOSA-N 0 3 365.437 3.477 20 30 FGEDHN CC1(C)CN(C(=O)[C@H](N)CCCCC#N)c2cc(Br)ccc21 ZINC000595259229 507442447 /nfs/dbraw/zinc/44/24/47/507442447.db2.gz ZNBCUOIGDDXQRD-CQSZACIVSA-N 0 3 364.287 3.485 20 30 FGEDHN Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000610987471 507468716 /nfs/dbraw/zinc/46/87/16/507468716.db2.gz DLTPDAOCCAKSJD-APWZRJJASA-N 0 3 371.506 3.267 20 30 FGEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000598536780 507475317 /nfs/dbraw/zinc/47/53/17/507475317.db2.gz WRWGPQMNTSESJP-VQTJNVASSA-N 0 3 369.509 3.176 20 30 FGEDHN C[C@@](CO)(Cc1ccccc1F)NC(=O)C(C#N)CCc1ccccc1 ZINC000601853882 507488969 /nfs/dbraw/zinc/48/89/69/507488969.db2.gz YSXVWKISWTUBNB-RXVVDRJESA-N 0 3 354.425 3.008 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1 ZINC000595464265 507511866 /nfs/dbraw/zinc/51/18/66/507511866.db2.gz HXSZASJVWSXXNY-UTKZUKDTSA-N 0 3 362.477 3.235 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592181921 507525664 /nfs/dbraw/zinc/52/56/64/507525664.db2.gz JJELCKLRQKQOHO-IAGOWNOFSA-N 0 3 373.472 3.352 20 30 FGEDHN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1(CO)CC=CC1 ZINC000592178057 507526632 /nfs/dbraw/zinc/52/66/32/507526632.db2.gz MCUCFJXQWXDTKY-SFHVURJKSA-N 0 3 361.873 3.093 20 30 FGEDHN CCCCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@@H]1CCc2ncsc2C1 ZINC000592187272 507530308 /nfs/dbraw/zinc/53/03/08/507530308.db2.gz ISACIHDDDQAHIP-JKSUJKDBSA-N 0 3 362.543 3.111 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000595542814 507552560 /nfs/dbraw/zinc/55/25/60/507552560.db2.gz OWNLGAULUCVWCS-YZGWKJHDSA-N 0 3 354.498 3.375 20 30 FGEDHN COc1cc(CNC[C@H](O)CC(C)(C)C#N)ccc1OCC(F)(F)F ZINC000598700094 507558204 /nfs/dbraw/zinc/55/82/04/507558204.db2.gz KVFHVTLWPBZZJN-CYBMUJFWSA-N 0 3 360.376 3.027 20 30 FGEDHN C[C@]1(CNC(=O)N2CCC[C@@H](CC#N)C2)CCCN1Cc1ccccc1 ZINC000595588265 507577908 /nfs/dbraw/zinc/57/79/08/507577908.db2.gz HMAYQYCQENJBLJ-PZJWPPBQSA-N 0 3 354.498 3.376 20 30 FGEDHN CC(C)(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(C#N)c1 ZINC000595633680 507603857 /nfs/dbraw/zinc/60/38/57/507603857.db2.gz VKKCHVJQBHAWNW-UHFFFAOYSA-N 0 3 369.490 3.024 20 30 FGEDHN C[C@@H](N[C@@H](C)Cn1cc(Br)ccc1=O)c1cccc(C#N)c1 ZINC000585726125 507606084 /nfs/dbraw/zinc/60/60/84/507606084.db2.gz VUFGQDDPCMIMCH-QWHCGFSZSA-N 0 3 360.255 3.222 20 30 FGEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1OCC(=O)NC ZINC000611379901 507651077 /nfs/dbraw/zinc/65/10/77/507651077.db2.gz KNUCYFDELNLXDU-BEFAXECRSA-N 0 3 351.450 3.485 20 30 FGEDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000611388897 507657421 /nfs/dbraw/zinc/65/74/21/507657421.db2.gz UHXCMGBXFMVXOE-CYBMUJFWSA-N 0 3 368.393 3.154 20 30 FGEDHN COc1ccccc1N1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611394615 507661514 /nfs/dbraw/zinc/66/15/14/507661514.db2.gz SWZPTALKPXUCLB-RBUKOAKNSA-N 0 3 361.445 3.339 20 30 FGEDHN COC(=O)C(C)(C)[C@@H](NCCOc1cccc(C#N)c1)c1ccccc1 ZINC000611405018 507665974 /nfs/dbraw/zinc/66/59/74/507665974.db2.gz FQRIHRXDXKSKRV-IBGZPJMESA-N 0 3 352.434 3.467 20 30 FGEDHN Cn1nc(CNC2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000614992959 507716448 /nfs/dbraw/zinc/71/64/48/507716448.db2.gz PUFXVCQNUGTTNR-UHFFFAOYSA-N 0 3 361.449 3.320 20 30 FGEDHN CCOC(=O)CC1(NCc2ccc(C#N)cc2C(F)(F)F)CCOCC1 ZINC000595876564 507723891 /nfs/dbraw/zinc/72/38/91/507723891.db2.gz LMUAVACKVIWVAC-UHFFFAOYSA-N 0 3 370.371 3.169 20 30 FGEDHN Cc1cc(C)n(-c2ccc(CN[C@@H](C)CC3(C#N)CCOCC3)cn2)n1 ZINC000602521882 507736813 /nfs/dbraw/zinc/73/68/13/507736813.db2.gz RNVLVBHYWIRLGG-INIZCTEOSA-N 0 3 353.470 3.073 20 30 FGEDHN C=CC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)CC1CCCCC1 ZINC000735419557 598756046 /nfs/dbraw/zinc/75/60/46/598756046.db2.gz VNMREZCXBTUDLW-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN C=CC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)CC1CCCCC1 ZINC000735419557 598756047 /nfs/dbraw/zinc/75/60/47/598756047.db2.gz VNMREZCXBTUDLW-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN C=CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)CC1CCCCC1 ZINC000735419557 598756049 /nfs/dbraw/zinc/75/60/49/598756049.db2.gz VNMREZCXBTUDLW-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN C=CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)CC1CCCCC1 ZINC000735419557 598756051 /nfs/dbraw/zinc/75/60/51/598756051.db2.gz VNMREZCXBTUDLW-UHFFFAOYSA-N 0 3 368.485 3.264 20 30 FGEDHN Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCC[C@@H]2[NH+]2CCCCC2)n1 ZINC000826350401 608534819 /nfs/dbraw/zinc/53/48/19/608534819.db2.gz UMBKVPSSKXZYDR-AWEZNQCLSA-N 0 3 374.880 3.112 20 30 FGEDHN Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCC[C@@H]2[NH+]2CCCCC2)n1 ZINC000826350401 608534821 /nfs/dbraw/zinc/53/48/21/608534821.db2.gz UMBKVPSSKXZYDR-AWEZNQCLSA-N 0 3 374.880 3.112 20 30 FGEDHN N#Cc1ccccc1/C=C/C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000029369158 695712409 /nfs/dbraw/zinc/71/24/09/695712409.db2.gz ORPHEDCVLPHQHP-BQYQJAHWSA-N 0 3 355.507 3.049 20 30 FGEDHN C[C@H](CSc1ccc(F)cc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000120391464 700653899 /nfs/dbraw/zinc/65/38/99/700653899.db2.gz NFAJUVMIPKRYGU-IUODEOHRSA-N 0 3 357.410 3.296 20 30 FGEDHN N#CC(C(=O)Cc1csc(-c2ccoc2)n1)C(=O)Nc1ccccc1 ZINC000121692950 700677978 /nfs/dbraw/zinc/67/79/78/700677978.db2.gz ZRVZGXGKYHPSJM-HNNXBMFYSA-N 0 3 351.387 3.293 20 30 FGEDHN N#CC(C(=O)CCc1ccccc1Br)C(=O)Nc1ccccn1 ZINC000125207062 700732182 /nfs/dbraw/zinc/73/21/82/700732182.db2.gz CZAXKNVOILYCHV-CYBMUJFWSA-N 0 3 372.222 3.124 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSc1ccc(C)cc1 ZINC000129844862 700792620 /nfs/dbraw/zinc/79/26/20/700792620.db2.gz ADNAHDPHZGWODF-OAHLLOKOSA-N 0 3 354.431 3.443 20 30 FGEDHN CC(C)(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 ZINC000130252938 700798617 /nfs/dbraw/zinc/79/86/17/700798617.db2.gz YYHWUHWYPDRRQB-SNVBAGLBSA-N 0 3 362.792 3.461 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC2CCCCC2)cc1Cl ZINC000130364225 700800697 /nfs/dbraw/zinc/80/06/97/700800697.db2.gz VDKDYCWJFWDWQT-CQSZACIVSA-N 0 3 364.829 3.345 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000132689290 700830162 /nfs/dbraw/zinc/83/01/62/700830162.db2.gz WBKAIGYEHGDYQE-JQWIXIFHSA-N 0 3 369.234 3.000 20 30 FGEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000132689920 700830221 /nfs/dbraw/zinc/83/02/21/700830221.db2.gz WBKAIGYEHGDYQE-ZYHUDNBSSA-N 0 3 369.234 3.000 20 30 FGEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000177601683 705630012 /nfs/dbraw/zinc/63/00/12/705630012.db2.gz FIIPKMVXTZNGAA-NSHDSACASA-N 0 3 364.810 3.380 20 30 FGEDHN O=C(NCCN[C@H]1CCc2c1ccc(Cl)c2Cl)C1N=CC=CC1=O ZINC000180879109 705761689 /nfs/dbraw/zinc/76/16/89/705761689.db2.gz LCPQCLUGKJIUFI-WPCFGXOUSA-N 0 3 366.248 3.097 20 30 FGEDHN C#CCOc1ccccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000188056587 712760720 /nfs/dbraw/zinc/76/07/20/712760720.db2.gz PTSNEZMSXOMNIZ-UHFFFAOYSA-N 0 3 357.479 3.356 20 30 FGEDHN FC(F)(F)c1nnc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)[n-]1 ZINC000262463393 713725865 /nfs/dbraw/zinc/72/58/65/713725865.db2.gz GAUPDYMFVXPLCZ-UHFFFAOYSA-N 0 3 352.364 3.278 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N2CC[C@@](F)(C#N)C2)c2cccs2)CC1 ZINC000615528487 714532971 /nfs/dbraw/zinc/53/29/71/714532971.db2.gz DKZMIBNGLGOECW-CRAIPNDOSA-N 0 3 364.490 3.168 20 30 FGEDHN COC(=O)[C@@H](C)Oc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619847289 714874993 /nfs/dbraw/zinc/87/49/93/714874993.db2.gz OIOPTNMSLUQHTD-CYBMUJFWSA-N 0 3 358.825 3.442 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](CCc2ccccc2)C(F)F)CC1 ZINC000623634936 715376091 /nfs/dbraw/zinc/37/60/91/715376091.db2.gz ITUMSUIWKVZGPL-QGZVFWFLSA-N 0 3 351.441 3.203 20 30 FGEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626039758 715833562 /nfs/dbraw/zinc/83/35/62/715833562.db2.gz NIRDOMWNUWKIHR-YDHLFZDLSA-N 0 3 351.288 3.318 20 30 FGEDHN C=CC[C@H]1CCCN(Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000668494013 721298737 /nfs/dbraw/zinc/29/87/37/721298737.db2.gz UDYOYRQLXQQNEW-ZDUSSCGKSA-N 0 3 352.862 3.001 20 30 FGEDHN N#Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899285 721507967 /nfs/dbraw/zinc/50/79/67/721507967.db2.gz KTDBLMZXNXDJGP-RDJZCZTQSA-N 0 3 372.831 3.088 20 30 FGEDHN Cc1cc(C#N)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164906401 721527841 /nfs/dbraw/zinc/52/78/41/721527841.db2.gz KYTKTBRCDZSIFK-AZUAARDMSA-N 0 3 366.440 3.051 20 30 FGEDHN C=CCOC[C@H]1CCC[C@]12CN(c1ncccc1CN1CCCC1)CCO2 ZINC001164980309 722169752 /nfs/dbraw/zinc/16/97/52/722169752.db2.gz XKVAZCURFUKSTG-IRLDBZIGSA-N 0 3 371.525 3.256 20 30 FGEDHN C=CCOCCNCc1cc(Br)cc(Br)c1N ZINC000681121520 722180695 /nfs/dbraw/zinc/18/06/95/722180695.db2.gz XVOLABWEJJOZLY-UHFFFAOYSA-N 0 3 364.081 3.086 20 30 FGEDHN CCSc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2OC)cn1 ZINC000727954783 722448866 /nfs/dbraw/zinc/44/88/66/722448866.db2.gz VGCULNJFXKXPTM-ZDUSSCGKSA-N 0 3 355.419 3.163 20 30 FGEDHN CC(C)C(=O)N1CCC[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417136 722468242 /nfs/dbraw/zinc/46/82/42/722468242.db2.gz LCCAIEHJMAGAJW-TZMCWYRMSA-N 0 3 359.426 3.259 20 30 FGEDHN CC(=O)N[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C1CCCC1 ZINC000730420355 722468306 /nfs/dbraw/zinc/46/83/06/722468306.db2.gz CHLUPYQREBUKCZ-CZUORRHYSA-N 0 3 359.426 3.307 20 30 FGEDHN CCCC(=O)N1CCC[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420563 722468367 /nfs/dbraw/zinc/46/83/67/722468367.db2.gz HSLGOOTYEXPCPM-TZMCWYRMSA-N 0 3 359.426 3.403 20 30 FGEDHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733997923 722503292 /nfs/dbraw/zinc/50/32/92/722503292.db2.gz WKEYNLLTJVBCKB-KBMXLJTQSA-N 0 3 357.479 3.098 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCC1=NNC(=S)Nc1cccnc1 ZINC000734363176 722506456 /nfs/dbraw/zinc/50/64/56/722506456.db2.gz WGAPGIIHSQKAFR-OAHLLOKOSA-N 0 3 353.495 3.266 20 30 FGEDHN Cn1nc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C1CC1 ZINC000744033049 722572939 /nfs/dbraw/zinc/57/29/39/722572939.db2.gz QPBZRRBCQAQUTM-NSHDSACASA-N 0 3 360.776 3.051 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000750684781 722777558 /nfs/dbraw/zinc/77/75/58/722777558.db2.gz UTFHXEPKXAACQH-CABZTGNLSA-N 0 3 365.220 3.178 20 30 FGEDHN N#CC(C(=O)CCOCC1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000751826193 722829316 /nfs/dbraw/zinc/82/93/16/722829316.db2.gz DVHIWLOYEHKFMM-LBPRGKRZSA-N 0 3 355.221 3.457 20 30 FGEDHN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000757318244 722975886 /nfs/dbraw/zinc/97/58/86/722975886.db2.gz UCTIJYOIJBMKDB-OBJOEFQTSA-N 0 3 365.524 3.390 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000790605572 723157544 /nfs/dbraw/zinc/15/75/44/723157544.db2.gz ACGVPSGFIAELBN-KRWDZBQOSA-N 0 3 350.384 3.144 20 30 FGEDHN N#CCCNC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000763603366 723354776 /nfs/dbraw/zinc/35/47/76/723354776.db2.gz IMBMTFQFKDJOGN-UHFFFAOYSA-N 0 3 353.388 3.484 20 30 FGEDHN C=CCOc1ccc(CN[C@@]2(CC(=O)OC)CCCOC2)cc1Cl ZINC000770679494 723718934 /nfs/dbraw/zinc/71/89/34/723718934.db2.gz PUBMPCOMKDKSEW-GOSISDBHSA-N 0 3 353.846 3.107 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)CCO1 ZINC000776514519 724153856 /nfs/dbraw/zinc/15/38/56/724153856.db2.gz FBBIDTCRSPYJIA-GYSYKLTISA-N 0 3 368.405 3.464 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccsc2)cc1Cl ZINC000800388144 724190059 /nfs/dbraw/zinc/19/00/59/724190059.db2.gz YVQTXEAONLMGDK-LBPRGKRZSA-N 0 3 364.810 3.136 20 30 FGEDHN C[C@H](C#N)OCCN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000801931253 724347240 /nfs/dbraw/zinc/34/72/40/724347240.db2.gz VNJIIRGHDZBATR-IKGGRYGDSA-N 0 3 351.491 3.169 20 30 FGEDHN C=C(Br)CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802040804 724354760 /nfs/dbraw/zinc/35/47/60/724354760.db2.gz LBWWCKKMTCDOOT-CYBMUJFWSA-N 0 3 360.683 3.151 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000784490971 724858108 /nfs/dbraw/zinc/85/81/08/724858108.db2.gz MZDWMRATEDPMNX-MRXNPFEDSA-N 0 3 362.857 3.223 20 30 FGEDHN CN1C(=O)CC[C@H]1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000784833516 724879688 /nfs/dbraw/zinc/87/96/88/724879688.db2.gz MSOLXCZRYBFOIJ-JSGCOSHPSA-N 0 3 359.838 3.261 20 30 FGEDHN CC1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC(C)(C)O1 ZINC000785524346 724919654 /nfs/dbraw/zinc/91/96/54/724919654.db2.gz YTAUIBICMYMEON-ZDUSSCGKSA-N 0 3 357.479 3.362 20 30 FGEDHN Cc1ccccc1OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786537080 724987504 /nfs/dbraw/zinc/98/75/04/724987504.db2.gz HOQNZCUNLBXTDL-MRXNPFEDSA-N 0 3 356.809 3.053 20 30 FGEDHN C=CCCCCCCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000808419188 725200081 /nfs/dbraw/zinc/20/00/81/725200081.db2.gz NPWZZIFOGBYRFD-HNNXBMFYSA-N 0 3 373.950 3.431 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810530176 725312906 /nfs/dbraw/zinc/31/29/06/725312906.db2.gz XOPVOYKSAAWGBZ-LLVKDONJSA-N 0 3 352.793 3.444 20 30 FGEDHN CC(C)N1C(=O)C[C@@H](NCCOCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000815102458 727038197 /nfs/dbraw/zinc/03/81/97/727038197.db2.gz PBXYWPXTJFZUSQ-SJLPKXTDSA-N 0 3 367.852 3.049 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 ZINC000818611761 727316821 /nfs/dbraw/zinc/31/68/21/727316821.db2.gz BHGDHFSYFDZNFP-UHFFFAOYSA-N 0 3 366.889 3.068 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000825325527 729378908 /nfs/dbraw/zinc/37/89/08/729378908.db2.gz DRAYEEMAZUCMBO-KDOFPFPSSA-N 0 3 359.857 3.095 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000828025660 729438701 /nfs/dbraw/zinc/43/87/01/729438701.db2.gz OYRCZVZUGOJZNL-QGZVFWFLSA-N 0 3 354.479 3.270 20 30 FGEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000831675240 729660192 /nfs/dbraw/zinc/66/01/92/729660192.db2.gz YBGRNIMBCUWMTB-CVEARBPZSA-N 0 3 350.846 3.454 20 30 FGEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H](CC)CO1 ZINC000844388689 730711432 /nfs/dbraw/zinc/71/14/32/730711432.db2.gz VINZYKIGGJETHV-RRFJBIMHSA-N 0 3 357.479 3.362 20 30 FGEDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCCC#N)C1 ZINC000844461552 730722137 /nfs/dbraw/zinc/72/21/37/730722137.db2.gz KLVIWMQCAWDSQO-IXDOHACOSA-N 0 3 351.491 3.217 20 30 FGEDHN C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010999 730918340 /nfs/dbraw/zinc/91/83/40/730918340.db2.gz PWKWKDWEXKESOJ-JKSUJKDBSA-N 0 3 351.491 3.074 20 30 FGEDHN C=CCN1CCC(Nc2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853289747 731691644 /nfs/dbraw/zinc/69/16/44/731691644.db2.gz PPFGDCUZKUUTKI-UHFFFAOYSA-N 0 3 370.682 3.436 20 30 FGEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000854068577 731790793 /nfs/dbraw/zinc/79/07/93/731790793.db2.gz CETVAMDTIWJSQL-INIZCTEOSA-N 0 3 355.404 3.190 20 30 FGEDHN COc1cc(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc(Br)c1[O-] ZINC000865849942 733281373 /nfs/dbraw/zinc/28/13/73/733281373.db2.gz YTBAKDUXGPYCRU-OAHLLOKOSA-N 0 3 373.250 3.292 20 30 FGEDHN C=CC(C)(C)CCCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000873151262 735726720 /nfs/dbraw/zinc/72/67/20/735726720.db2.gz FMIBWUNEARMKGK-CQSZACIVSA-N 0 3 373.950 3.287 20 30 FGEDHN CC(C)N1C(=O)CC[C@H]1C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000873498909 735770151 /nfs/dbraw/zinc/77/01/51/735770151.db2.gz UCBDSTLCVKOULR-ZBFHGGJFSA-N 0 3 353.447 3.386 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000876691068 736131926 /nfs/dbraw/zinc/13/19/26/736131926.db2.gz ZJMBCFRUJXNCQZ-KGLIPLIRSA-N 0 3 362.779 3.075 20 30 FGEDHN C#CC[C@H](CO)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000883123966 737527070 /nfs/dbraw/zinc/52/70/70/737527070.db2.gz QTDWYDXQJYGGNB-CYBMUJFWSA-N 0 3 351.269 3.046 20 30 FGEDHN O[C@@H](CNCc1ccc(OC(F)F)c(F)c1)C(F)(F)C(F)(F)F ZINC000883367172 737558991 /nfs/dbraw/zinc/55/89/91/737558991.db2.gz JPICBKREXMMOIK-VIFPVBQESA-N 0 3 353.209 3.075 20 30 FGEDHN CN(Cc1cccc(Cl)c1Cl)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884053343 737628742 /nfs/dbraw/zinc/62/87/42/737628742.db2.gz SUVDDFZDZBXDCQ-UIORMTCPSA-N 0 3 352.265 3.091 20 30 FGEDHN Cc1ccccc1-c1csc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)n1 ZINC000884072591 737631027 /nfs/dbraw/zinc/63/10/27/737631027.db2.gz IAWXIPRMNZJDHU-BIWSTMPVSA-N 0 3 352.463 3.196 20 30 FGEDHN N#CC1(C[C@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)CCC1 ZINC000886100713 739218300 /nfs/dbraw/zinc/21/83/00/739218300.db2.gz VVKSBHYHEWTDBS-AWEZNQCLSA-N 0 3 357.281 3.233 20 30 FGEDHN C#CCC1(NCC(=O)Nc2ccccc2SC(F)F)CCOCC1 ZINC000887127489 739331739 /nfs/dbraw/zinc/33/17/39/739331739.db2.gz QPSPFJQISLFAMT-UHFFFAOYSA-N 0 3 354.422 3.102 20 30 FGEDHN CCO/C=C\[C@@](O)(CNCc1ccc(C2(C#N)CC2)cc1)C(F)(F)F ZINC000895716472 742446424 /nfs/dbraw/zinc/44/64/24/742446424.db2.gz IHTKTNAQJOAROU-DOOKAGJSSA-N 0 3 354.372 3.175 20 30 FGEDHN C=CCC1(O)CCN(C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000895834808 742459390 /nfs/dbraw/zinc/45/93/90/742459390.db2.gz RLJCQEQKQIKFPZ-CQSZACIVSA-N 0 3 360.445 3.034 20 30 FGEDHN Cc1c(CN2CCC3(CC2)CC(=O)C=CO3)sc2nc(C)nc(C)c12 ZINC000897602407 742694214 /nfs/dbraw/zinc/69/42/14/742694214.db2.gz NKAPRCXIEXTXJU-UHFFFAOYSA-N 0 3 357.479 3.454 20 30 FGEDHN C#CCN(C(=S)Nc1ccc(OC(F)F)cc1)C1CCN(C)CC1 ZINC000899614028 742988614 /nfs/dbraw/zinc/98/86/14/742988614.db2.gz UJBRAWWSEZKDBS-UHFFFAOYSA-N 0 3 353.438 3.014 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000948385915 762327749 /nfs/dbraw/zinc/32/77/49/762327749.db2.gz RFEJGJUELZNSTE-XHSDSOJGSA-N 0 3 362.436 3.233 20 30 FGEDHN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000916883258 758151537 /nfs/dbraw/zinc/15/15/37/758151537.db2.gz HYLVYJAZVRDDEW-CZUORRHYSA-N 0 3 358.829 3.452 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSC(C)C ZINC000916900988 758152738 /nfs/dbraw/zinc/15/27/38/758152738.db2.gz VYOBPTDXUCDVEK-NSHDSACASA-N 0 3 354.859 3.446 20 30 FGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CSC(C)(C)C)cc1 ZINC000916941697 758156705 /nfs/dbraw/zinc/15/67/05/758156705.db2.gz BCEMYOBYTSHUNS-CQSZACIVSA-N 0 3 362.451 3.042 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CN(C)Cc1csc(C)c1 ZINC000960640200 762736701 /nfs/dbraw/zinc/73/67/01/762736701.db2.gz AZYKQHFPLFKSGX-OTWHNJEPSA-N 0 3 362.539 3.461 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](NCc2sccc2Cl)C(C)(C)C1 ZINC000996330374 765000377 /nfs/dbraw/zinc/00/03/77/765000377.db2.gz LFCVOBBXIAABPW-INWMFGNUSA-N 0 3 368.930 3.319 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2ccc(F)cc2Cl)C1 ZINC000999429208 765160236 /nfs/dbraw/zinc/16/02/36/765160236.db2.gz XVFDJTQQJJSOIR-IOTAOYMUSA-N 0 3 366.864 3.149 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001029788113 766153440 /nfs/dbraw/zinc/15/34/40/766153440.db2.gz MPGKMFYWJUNVGB-QOKNQOGYSA-N 0 3 357.523 3.336 20 30 FGEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001034754029 766248506 /nfs/dbraw/zinc/24/85/06/766248506.db2.gz OHJBTHGIMWACLF-YHUYYLMFSA-N 0 3 355.320 3.348 20 30 FGEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)s1 ZINC001034942797 766251423 /nfs/dbraw/zinc/25/14/23/766251423.db2.gz VAMASPIOFVLROG-YYAJDYIMSA-N 0 3 355.507 3.303 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CNCc1sccc1Cl ZINC001045043405 766504121 /nfs/dbraw/zinc/50/41/21/766504121.db2.gz HDIRHHINJSOSBM-LZWOXQAQSA-N 0 3 368.930 3.463 20 30 FGEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001046977066 766614989 /nfs/dbraw/zinc/61/49/89/766614989.db2.gz DVYDAILPUFXGKC-ARFHVFGLSA-N 0 3 366.477 3.257 20 30 FGEDHN Cn1cc(CN2CCC[C@H](c3ccncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000359910210 223136468 /nfs/dbraw/zinc/13/64/68/223136468.db2.gz ZTSZOAVQDPFEIG-SFHVURJKSA-N 0 3 358.449 3.128 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)c2ncc(C#N)cc2Cl)N(C)C)cc1 ZINC000570848717 505594625 /nfs/dbraw/zinc/59/46/25/505594625.db2.gz PNNPRKUHSZKTGF-MRXNPFEDSA-N 0 3 374.897 3.361 20 30 FGEDHN Cc1ccc2c(c1)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000573678020 505594872 /nfs/dbraw/zinc/59/48/72/505594872.db2.gz GWEFDEANFFKYPO-FQEVSTJZSA-N 0 3 354.475 3.308 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)cc1 ZINC000573737467 505607992 /nfs/dbraw/zinc/60/79/92/505607992.db2.gz QJSPMYXNSPDIBP-UFYCRDLUSA-N 0 3 373.460 3.175 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(Cl)c1F ZINC000568055514 505605449 /nfs/dbraw/zinc/60/54/49/505605449.db2.gz IMWZKZJRDPPCLV-UHFFFAOYSA-N 0 3 373.859 3.484 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000570921320 505612289 /nfs/dbraw/zinc/61/22/89/505612289.db2.gz WLAIOJKUTTXZBE-QFBILLFUSA-N 0 3 365.539 3.329 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)CC2 ZINC000573827833 505630374 /nfs/dbraw/zinc/63/03/74/505630374.db2.gz ULWQJKIGGSPBFU-OALUTQOASA-N 0 3 353.491 3.270 20 30 FGEDHN COc1ccc(C)cc1C1(CNCc2nc(C#N)cs2)CCOCC1 ZINC000579890331 505638776 /nfs/dbraw/zinc/63/87/76/505638776.db2.gz OUGXOUUCSCYUNQ-UHFFFAOYSA-N 0 3 357.479 3.170 20 30 FGEDHN N#CC(C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc2ccccc2[nH]1 ZINC000577143402 505672637 /nfs/dbraw/zinc/67/26/37/505672637.db2.gz CDCDEBGGNJMTPK-NSHDSACASA-N 0 3 360.295 3.389 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000047951133 493766137 /nfs/dbraw/zinc/76/61/37/493766137.db2.gz QDKKETMDZFATDC-GOSISDBHSA-N 0 3 353.491 3.236 20 30 FGEDHN C[C@@H](NCC1(c2ccccc2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000075732728 493774112 /nfs/dbraw/zinc/77/41/12/493774112.db2.gz DTJDSJJNIHLCMW-GOSISDBHSA-N 0 3 369.509 3.056 20 30 FGEDHN C[C@@H]1CCCN(C(=O)C2CCN(CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000048045863 493776399 /nfs/dbraw/zinc/77/63/99/493776399.db2.gz FBKUZXKFLSRARX-GOSISDBHSA-N 0 3 369.509 3.298 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCN(c3ncccc3F)C2)c(C(F)(F)F)c1 ZINC000571211090 505680531 /nfs/dbraw/zinc/68/05/31/505680531.db2.gz AAFTTWQFZVRRPY-AWEZNQCLSA-N 0 3 364.346 3.480 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)N(C)C1CC1 ZINC000057701478 493788123 /nfs/dbraw/zinc/78/81/23/493788123.db2.gz ZOIUIZRZYVRQBJ-MRXNPFEDSA-N 0 3 363.461 3.350 20 30 FGEDHN Cc1cccc(CN2CCC(NC(=O)NCc3cccc(C#N)c3)CC2)c1 ZINC000048800087 493846518 /nfs/dbraw/zinc/84/65/18/493846518.db2.gz TVLMSTPSAIIGPG-UHFFFAOYSA-N 0 3 362.477 3.331 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000076343006 493872049 /nfs/dbraw/zinc/87/20/49/493872049.db2.gz ZTXVPKLUUHJGAW-JOCHJYFZSA-N 0 3 369.509 3.421 20 30 FGEDHN CCN1CCN(c2ccc(C(=O)N[C@@](C)(C#N)C3CCCCC3)cc2)CC1 ZINC000081408483 493888500 /nfs/dbraw/zinc/88/85/00/493888500.db2.gz BDMGNROQQPXAIX-QFIPXVFZSA-N 0 3 368.525 3.421 20 30 FGEDHN Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000081729558 493948208 /nfs/dbraw/zinc/94/82/08/493948208.db2.gz XZBJRZQOHDFNNV-UXHICEINSA-N 0 3 362.477 3.166 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)nc(C)n1 ZINC000076822739 493975518 /nfs/dbraw/zinc/97/55/18/493975518.db2.gz UVVNUGHJAUXOIZ-KRWDZBQOSA-N 0 3 364.449 3.246 20 30 FGEDHN N#Cc1ccccc1N1CCCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000051852231 493991105 /nfs/dbraw/zinc/99/11/05/493991105.db2.gz MUSQZIWDKOMTQB-UHFFFAOYSA-N 0 3 374.488 3.050 20 30 FGEDHN N#Cc1ccccc1OCc1ccc(C(=O)NCCN2CCCCCC2)o1 ZINC000076944970 493994267 /nfs/dbraw/zinc/99/42/67/493994267.db2.gz VFFZCQJXDHPUMM-UHFFFAOYSA-N 0 3 367.449 3.336 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(F)cc(F)c1 ZINC000062380178 494010969 /nfs/dbraw/zinc/01/09/69/494010969.db2.gz XJKQRHBLRBFOQH-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1cccc(C#N)c1 ZINC000062485217 494013777 /nfs/dbraw/zinc/01/37/77/494013777.db2.gz LZPCQIAAXADTOW-UHFFFAOYSA-N 0 3 372.419 3.110 20 30 FGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000032768852 494015205 /nfs/dbraw/zinc/01/52/05/494015205.db2.gz JLXBXFPXFWDRJM-NQIIRXRSSA-N 0 3 352.434 3.144 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CNc1ccc(C#N)cc1 ZINC000077140466 494022332 /nfs/dbraw/zinc/02/23/32/494022332.db2.gz QJZYKNPHRAHUEJ-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCCN(Cc2ccccc2)CC1 ZINC000077248248 494042067 /nfs/dbraw/zinc/04/20/67/494042067.db2.gz OOMUHSUZUFGJCU-UHFFFAOYSA-N 0 3 365.477 3.154 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1OC1CC1 ZINC000574113170 505696516 /nfs/dbraw/zinc/69/65/16/505696516.db2.gz CXGNGFQANNOGHY-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000064026897 494102472 /nfs/dbraw/zinc/10/24/72/494102472.db2.gz NNJIBMBMZFOVFI-UHFFFAOYSA-N 0 3 363.461 3.451 20 30 FGEDHN N#CC(C(=O)c1cccc(C(N)=O)c1)c1nc2ccccc2n1C(F)F ZINC000041556910 494168351 /nfs/dbraw/zinc/16/83/51/494168351.db2.gz MNYKEGCTTZHZJO-LBPRGKRZSA-N 0 3 354.316 3.020 20 30 FGEDHN C=CCN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccccc1 ZINC000072560745 494202955 /nfs/dbraw/zinc/20/29/55/494202955.db2.gz AIGUXJKJHSXGNQ-UHFFFAOYSA-N 0 3 371.868 3.456 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000042846659 494247875 /nfs/dbraw/zinc/24/78/75/494247875.db2.gz GVAKYPRKCGMZTH-QGZVFWFLSA-N 0 3 350.466 3.393 20 30 FGEDHN CCc1ccccc1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930015 494257421 /nfs/dbraw/zinc/25/74/21/494257421.db2.gz IILAHKSEJVWNGG-UHFFFAOYSA-N 0 3 365.477 3.090 20 30 FGEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2ccc(Oc3ccccc3)o2)c1C#N ZINC000089675079 494342098 /nfs/dbraw/zinc/34/20/98/494342098.db2.gz RVMHLVSADNOGOM-UHFFFAOYSA-N 0 3 365.393 3.071 20 30 FGEDHN C=CCOc1ccc(C(=O)Nc2ccnn2C2CCN(CC)CC2)cc1 ZINC000066663309 494377867 /nfs/dbraw/zinc/37/78/67/494377867.db2.gz KHTKMDXIYDGLGJ-UHFFFAOYSA-N 0 3 354.454 3.357 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)CC1 ZINC000066686032 494384133 /nfs/dbraw/zinc/38/41/33/494384133.db2.gz QFXXPPYEYLTGQO-UHFFFAOYSA-N 0 3 372.513 3.295 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000073649458 494407904 /nfs/dbraw/zinc/40/79/04/494407904.db2.gz XXTOUKSTTYRJTE-IFMALSPDSA-N 0 3 350.462 3.445 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000021406897 494495184 /nfs/dbraw/zinc/49/51/84/494495184.db2.gz NISOWSCICIVHST-UHFFFAOYSA-N 0 3 371.488 3.452 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000074208272 494497602 /nfs/dbraw/zinc/49/76/02/494497602.db2.gz RFHLRGPYZDEPOI-IBGZPJMESA-N 0 3 370.541 3.138 20 30 FGEDHN CCc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000046945603 494593370 /nfs/dbraw/zinc/59/33/70/494593370.db2.gz UTZHSUXTLHOOBR-UHFFFAOYSA-N 0 3 370.522 3.456 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccccc1 ZINC000047010694 494616324 /nfs/dbraw/zinc/61/63/24/494616324.db2.gz AAGMGOPDQIVRFJ-UHFFFAOYSA-N 0 3 365.477 3.308 20 30 FGEDHN N#Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000115840799 494637646 /nfs/dbraw/zinc/63/76/46/494637646.db2.gz YBFYZASGJQMMMD-IBGZPJMESA-N 0 3 351.425 3.226 20 30 FGEDHN Cc1nc(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)ccc1C#N ZINC000092515826 494654753 /nfs/dbraw/zinc/65/47/53/494654753.db2.gz GHVDYXCPFADRGF-UHFFFAOYSA-N 0 3 363.465 3.035 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(F)cccc2N2CCCC2)CC1 ZINC000574264416 505733758 /nfs/dbraw/zinc/73/37/58/505733758.db2.gz RAYKOOHJPGYGFJ-UHFFFAOYSA-N 0 3 374.504 3.266 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(C2CCCC2)CC1 ZINC000580334811 505735347 /nfs/dbraw/zinc/73/53/47/505735347.db2.gz RPXBKHPHLCZOJK-UHFFFAOYSA-N 0 3 366.513 3.289 20 30 FGEDHN CC[C@H](CNC[C@@H](O)COc1ccc(C#N)cc1)Oc1cccc(C)c1 ZINC000577484958 505737536 /nfs/dbraw/zinc/73/75/36/505737536.db2.gz OCOLPKLHAAWFKS-RTBURBONSA-N 0 3 354.450 3.054 20 30 FGEDHN COc1ccc(CCC(=O)N2CCCN(CC(C)(C)CCC#N)CC2)cc1 ZINC000092709963 494724632 /nfs/dbraw/zinc/72/46/32/494724632.db2.gz YHVZWUJQEQYGFS-UHFFFAOYSA-N 0 3 371.525 3.492 20 30 FGEDHN CN(CCOc1cccc(Cl)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025697750 494768978 /nfs/dbraw/zinc/76/89/78/494768978.db2.gz BOUGZSKHJKCMSK-GOSISDBHSA-N 0 3 374.868 3.157 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN(C)Cc1ccccc1 ZINC000108769451 494782761 /nfs/dbraw/zinc/78/27/61/494782761.db2.gz MDUZJSYEGXUTAE-NRFANRHFSA-N 0 3 365.477 3.210 20 30 FGEDHN N#Cc1ccc2nc(NC[C@H]3C[C@H](O)CN3Cc3ccccc3)ccc2c1 ZINC000092940177 494791772 /nfs/dbraw/zinc/79/17/72/494791772.db2.gz XDIUJURMWLEKKM-UXHICEINSA-N 0 3 358.445 3.154 20 30 FGEDHN N#Cc1ccccc1OCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000075630967 494804156 /nfs/dbraw/zinc/80/41/56/494804156.db2.gz YJDSWUGMHLAYEO-FQEVSTJZSA-N 0 3 363.461 3.280 20 30 FGEDHN N#CCCN(Cc1ccc(OCCN2CCCC2)cc1)Cc1ccccn1 ZINC000093100732 494826369 /nfs/dbraw/zinc/82/63/69/494826369.db2.gz BIFRJEBEDRHLDC-UHFFFAOYSA-N 0 3 364.493 3.472 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000577531926 505746441 /nfs/dbraw/zinc/74/64/41/505746441.db2.gz AREWJJHPTZWNBZ-QRWLVFNGSA-N 0 3 351.425 3.019 20 30 FGEDHN CCN1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000116876490 494865345 /nfs/dbraw/zinc/86/53/45/494865345.db2.gz BAEDNEBJMKDAGC-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN C=CC[C@H](C)NC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000116946390 494874281 /nfs/dbraw/zinc/87/42/81/494874281.db2.gz GDAKIIHLRIKQLO-IBGZPJMESA-N 0 3 358.530 3.161 20 30 FGEDHN N#CC1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCCCC1 ZINC000127081997 494890694 /nfs/dbraw/zinc/89/06/94/494890694.db2.gz DXSADSCVSJWDHJ-UHFFFAOYSA-N 0 3 355.482 3.303 20 30 FGEDHN N#Cc1ccc(NCC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000109570359 494892138 /nfs/dbraw/zinc/89/21/38/494892138.db2.gz FVTKJSKPKLMZAS-KRWDZBQOSA-N 0 3 368.506 3.060 20 30 FGEDHN CCCn1nc(C)c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000122803191 495033670 /nfs/dbraw/zinc/03/36/70/495033670.db2.gz RNRVBWUCRVMVRW-UHFFFAOYSA-N 0 3 365.525 3.490 20 30 FGEDHN CCc1nn(C)c(CC)c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122845436 495039957 /nfs/dbraw/zinc/03/99/57/495039957.db2.gz UHHKPHQZSBVBRX-UHFFFAOYSA-N 0 3 365.525 3.124 20 30 FGEDHN N#Cc1c(NC(=O)CCN2[C@@H]3CC[C@H]2CC(O)C3)sc2c1CCCCC2 ZINC000111320726 495064600 /nfs/dbraw/zinc/06/46/00/495064600.db2.gz PNEMGDOWACSVQD-YIONKMFJSA-N 0 3 373.522 3.205 20 30 FGEDHN C=CCOc1c(Br)cc(CNCC(C)(C)O)cc1OCC ZINC000111385929 495071158 /nfs/dbraw/zinc/07/11/58/495071158.db2.gz WMSDOFHIBJAVRY-UHFFFAOYSA-N 0 3 358.276 3.273 20 30 FGEDHN COc1c(CNC2CCC(Oc3ccccc3C#N)CC2)c(C)nn1C ZINC000111408873 495071774 /nfs/dbraw/zinc/07/17/74/495071774.db2.gz AHEVSADDZDOMIR-UHFFFAOYSA-N 0 3 354.454 3.089 20 30 FGEDHN N#Cc1ccccc1N1CCCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000101544809 495074111 /nfs/dbraw/zinc/07/41/11/495074111.db2.gz SRADFDHRDUCFLW-UHFFFAOYSA-N 0 3 357.461 3.456 20 30 FGEDHN C=CCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000123129266 495084829 /nfs/dbraw/zinc/08/48/29/495084829.db2.gz YFEQLOZNQSXJPL-OAHLLOKOSA-N 0 3 352.862 3.023 20 30 FGEDHN N#Cc1ccc2ncc(CNCc3ccc(NC(=O)c4ccco4)cc3)n2c1 ZINC000123209753 495097237 /nfs/dbraw/zinc/09/72/37/495097237.db2.gz PFZFZGIKYCJBNT-UHFFFAOYSA-N 0 3 371.400 3.341 20 30 FGEDHN CC1(C)CN(c2cnc(C#N)cn2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000568719458 505760696 /nfs/dbraw/zinc/76/06/96/505760696.db2.gz CKRHPPHEYALCOT-NRFANRHFSA-N 0 3 361.493 3.475 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000119265229 495129858 /nfs/dbraw/zinc/12/98/58/495129858.db2.gz XJCLHASGCRRBHB-UHFFFAOYSA-N 0 3 365.477 3.437 20 30 FGEDHN CN(Cc1cccc(C#N)c1)CC1(CN(C)Cc2cccc(C#N)c2)COC1 ZINC000119307702 495138304 /nfs/dbraw/zinc/13/83/04/495138304.db2.gz SWBGSGPZFBWGTG-UHFFFAOYSA-N 0 3 374.488 3.010 20 30 FGEDHN COc1cc(C#N)cc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000571573021 505764420 /nfs/dbraw/zinc/76/44/20/505764420.db2.gz MSLZQOCLOQXVAN-NRFANRHFSA-N 0 3 352.434 3.237 20 30 FGEDHN Cc1cc(F)ccc1N1CCC[C@@H](NCc2cnc3ccc(C#N)cn23)C1 ZINC000123813140 495190546 /nfs/dbraw/zinc/19/05/46/495190546.db2.gz JYQWJMFJCUUSGU-GOSISDBHSA-N 0 3 363.440 3.412 20 30 FGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000112458546 495194881 /nfs/dbraw/zinc/19/48/81/495194881.db2.gz UWSWZZQSUPOMEP-INIZCTEOSA-N 0 3 366.465 3.098 20 30 FGEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000113351301 495298531 /nfs/dbraw/zinc/29/85/31/495298531.db2.gz TVRFVLQRZGWALQ-OAHLLOKOSA-N 0 3 351.454 3.378 20 30 FGEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000577684468 505775080 /nfs/dbraw/zinc/77/50/80/505775080.db2.gz HLPUCRTVSNWPJP-VLIAUNLRSA-N 0 3 369.490 3.147 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000120336782 495355356 /nfs/dbraw/zinc/35/53/56/495355356.db2.gz NQDLFKYDDCYTNG-RXVVDRJESA-N 0 3 371.525 3.494 20 30 FGEDHN C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCCCCC1 ZINC000114266708 495357927 /nfs/dbraw/zinc/35/79/27/495357927.db2.gz ZIHJYQVRZINVSG-KRWDZBQOSA-N 0 3 355.482 3.193 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1-c1nnc(C)o1)C(C)C ZINC000130319164 495373242 /nfs/dbraw/zinc/37/32/42/495373242.db2.gz IFDMEDGTFUDHJZ-IBGZPJMESA-N 0 3 368.481 3.473 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000120515064 495396195 /nfs/dbraw/zinc/39/61/95/495396195.db2.gz JYRHBIFMVARVPA-UHFFFAOYSA-N 0 3 372.856 3.474 20 30 FGEDHN Cc1nccn1CCCN(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130509265 495403388 /nfs/dbraw/zinc/40/33/88/495403388.db2.gz ZQVBTCPBVGZXHC-ZDUSSCGKSA-N 0 3 359.861 3.066 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C)CC1 ZINC000106036515 495406092 /nfs/dbraw/zinc/40/60/92/495406092.db2.gz KSLXKNJTEKAJBJ-UHFFFAOYSA-N 0 3 374.435 3.229 20 30 FGEDHN CC(C)Oc1cccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000120587236 495411704 /nfs/dbraw/zinc/41/17/04/495411704.db2.gz VJCBMUIKGWTBPO-IBGZPJMESA-N 0 3 354.450 3.217 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000106349458 495447520 /nfs/dbraw/zinc/44/75/20/495447520.db2.gz GUPDWZUAEAMOKP-UHFFFAOYSA-N 0 3 357.498 3.079 20 30 FGEDHN COc1ccc(CCCN(C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000125874656 495512018 /nfs/dbraw/zinc/51/20/18/495512018.db2.gz PGHSDRPGJWGIGR-OAQYLSRUSA-N 0 3 363.461 3.237 20 30 FGEDHN Cc1nc(SCC(=O)N2CCC[C@@H](N3CCCC3)C2)c(C#N)c(C)c1C ZINC000107600751 495529435 /nfs/dbraw/zinc/52/94/35/495529435.db2.gz ZJKCDXVMQOSJMJ-QGZVFWFLSA-N 0 3 372.538 3.057 20 30 FGEDHN C=CCN1CCC(NC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000185330839 495534908 /nfs/dbraw/zinc/53/49/08/495534908.db2.gz FULCVAJTXJWZJY-UHFFFAOYSA-N 0 3 365.315 3.457 20 30 FGEDHN Cc1nsc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1C#N ZINC000580565281 505787865 /nfs/dbraw/zinc/78/78/65/505787865.db2.gz LFSRBCRVZAOKFA-CZUORRHYSA-N 0 3 355.467 3.108 20 30 FGEDHN CCCCNC(=O)C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000179331265 495544897 /nfs/dbraw/zinc/54/48/97/495544897.db2.gz WXKYWSFYBMRWRU-UHFFFAOYSA-N 0 3 356.514 3.165 20 30 FGEDHN Cn1cc(C[C@H]2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)cn1 ZINC000154224461 495549840 /nfs/dbraw/zinc/54/98/40/495549840.db2.gz GUHBBLQHTZDMQK-MRXNPFEDSA-N 0 3 363.383 3.235 20 30 FGEDHN N#Cc1cccnc1N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185492046 495597508 /nfs/dbraw/zinc/59/75/08/495597508.db2.gz NBPKVEUQZKKFSB-UHFFFAOYSA-N 0 3 352.404 3.444 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCSCc1ccccc1C#N ZINC000176360580 495620037 /nfs/dbraw/zinc/62/00/37/495620037.db2.gz RWJIXMYXVJSAIK-MOPGFXCFSA-N 0 3 372.538 3.060 20 30 FGEDHN C=CCC[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccccc1 ZINC000185577620 495629333 /nfs/dbraw/zinc/62/93/33/495629333.db2.gz VWJJZJIYUXCXOR-FQEVSTJZSA-N 0 3 372.557 3.409 20 30 FGEDHN COC(=O)c1ccc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)c(C#N)n1 ZINC000571701642 505794032 /nfs/dbraw/zinc/79/40/32/505794032.db2.gz QBHUTLVIDGYIIR-FZKQIMNGSA-N 0 3 370.478 3.296 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc(C#N)cc1F ZINC000170935924 495658221 /nfs/dbraw/zinc/65/82/21/495658221.db2.gz BQHLMZBPEDQZKZ-UHFFFAOYSA-N 0 3 368.456 3.491 20 30 FGEDHN COc1ccccc1[C@H](CNCc1cnc2ccc(C#N)cn12)OC(C)C ZINC000185721690 495697206 /nfs/dbraw/zinc/69/72/06/495697206.db2.gz IDMIARQHHDUYFV-FQEVSTJZSA-N 0 3 364.449 3.470 20 30 FGEDHN CNC(=O)c1ccc(C)c(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182792725 495705346 /nfs/dbraw/zinc/70/53/46/495705346.db2.gz PNAGSTXBJMIDFT-UHFFFAOYSA-N 0 3 362.477 3.303 20 30 FGEDHN C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)N(C)Cc1ccccc1 ZINC000176617738 495722825 /nfs/dbraw/zinc/72/28/25/495722825.db2.gz WWKVMYWCHXRKTA-OAHLLOKOSA-N 0 3 354.429 3.017 20 30 FGEDHN CCCN(CCN(C)C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000151322941 495804726 /nfs/dbraw/zinc/80/47/26/495804726.db2.gz OPCBVGACZCTUID-UHFFFAOYSA-N 0 3 355.438 3.144 20 30 FGEDHN C=CCN1CCC(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000174200363 495860842 /nfs/dbraw/zinc/86/08/42/495860842.db2.gz XPGFOPVAYCRORK-CQSZACIVSA-N 0 3 358.511 3.124 20 30 FGEDHN C=CCn1c(C)cc(C(=O)CN2CCC(OCCN3CCCC3)CC2)c1C ZINC000174240756 495877850 /nfs/dbraw/zinc/87/78/50/495877850.db2.gz BVYNOLBJSDUWHC-UHFFFAOYSA-N 0 3 373.541 3.050 20 30 FGEDHN Cn1cc(CN2CC[C@@H](Oc3cccnc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180206344 495906533 /nfs/dbraw/zinc/90/65/33/495906533.db2.gz PXLYVRIVIZYUOL-HXUWFJFHSA-N 0 3 359.433 3.007 20 30 FGEDHN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160197512 495906854 /nfs/dbraw/zinc/90/68/54/495906854.db2.gz SANHAEIWIQTGIH-QAPCUYQASA-N 0 3 353.445 3.067 20 30 FGEDHN Cn1cc(CNC[C@H]2COC3(CCCCC3)O2)c(-c2ccc(C#N)cc2)n1 ZINC000180360319 495965763 /nfs/dbraw/zinc/96/57/63/495965763.db2.gz WJQGUYPAXVAIKC-IBGZPJMESA-N 0 3 366.465 3.124 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000171712247 496001380 /nfs/dbraw/zinc/00/13/80/496001380.db2.gz PVFCMXXNQIWXCG-CYBMUJFWSA-N 0 3 353.413 3.299 20 30 FGEDHN C=CCN1CCC(NC(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 ZINC000171716507 496003144 /nfs/dbraw/zinc/00/31/44/496003144.db2.gz GLOREIOEVWDDDE-UHFFFAOYSA-N 0 3 359.470 3.253 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000171716949 496004391 /nfs/dbraw/zinc/00/43/91/496004391.db2.gz PNNPLEQQZKBVCE-UHFFFAOYSA-N 0 3 362.271 3.311 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000171722698 496007433 /nfs/dbraw/zinc/00/74/33/496007433.db2.gz BCCOCWYQIFXNPN-UHFFFAOYSA-N 0 3 363.461 3.319 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183505515 496013278 /nfs/dbraw/zinc/01/32/78/496013278.db2.gz FABKCPUHLKEOCL-ZDUSSCGKSA-N 0 3 374.412 3.453 20 30 FGEDHN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000580683798 505813656 /nfs/dbraw/zinc/81/36/56/505813656.db2.gz SWUSIAGKSSICPS-IBGZPJMESA-N 0 3 364.497 3.146 20 30 FGEDHN COc1ccc([C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000186554726 496042769 /nfs/dbraw/zinc/04/27/69/496042769.db2.gz PIHJNKKCWXICTO-QGZVFWFLSA-N 0 3 370.409 3.198 20 30 FGEDHN C[C@H](CNC(=O)NCc1ccc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000171851205 496063556 /nfs/dbraw/zinc/06/35/56/496063556.db2.gz NSSBFPPMCSROFZ-OAHLLOKOSA-N 0 3 354.429 3.017 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)CC1 ZINC000171907815 496086654 /nfs/dbraw/zinc/08/66/54/496086654.db2.gz UBKZZOCYTYUWTJ-QGZVFWFLSA-N 0 3 374.529 3.345 20 30 FGEDHN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CCCC(C)(C)C#N ZINC000174809436 496116887 /nfs/dbraw/zinc/11/68/87/496116887.db2.gz WYOCNYHHZZQITH-KRWDZBQOSA-N 0 3 374.481 3.496 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000183811351 496124821 /nfs/dbraw/zinc/12/48/21/496124821.db2.gz FOZUYUNXCIITCZ-KRWDZBQOSA-N 0 3 373.378 3.468 20 30 FGEDHN COc1ccc([C@H](CCC(C)C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180866971 496178259 /nfs/dbraw/zinc/17/82/59/496178259.db2.gz YFPHSQZRMWWIRP-OQLSDQBISA-N 0 3 371.481 3.289 20 30 FGEDHN CC1CCC(N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 ZINC000172150432 496185144 /nfs/dbraw/zinc/18/51/44/496185144.db2.gz HPWOGYBLMNMROB-UHFFFAOYSA-N 0 3 358.461 3.103 20 30 FGEDHN CS(=O)(=O)Cc1ccccc1CNCc1cccc(OCCCC#N)c1 ZINC000174992612 496198090 /nfs/dbraw/zinc/19/80/90/496198090.db2.gz LGUYHBLFAPUTTD-UHFFFAOYSA-N 0 3 372.490 3.204 20 30 FGEDHN N#Cc1cccc(OCCCN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000156361856 496225155 /nfs/dbraw/zinc/22/51/55/496225155.db2.gz QZLUUDFPGADYIH-UHFFFAOYSA-N 0 3 361.449 3.249 20 30 FGEDHN CC(C)[C@H](CCO)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000161742465 496231229 /nfs/dbraw/zinc/23/12/29/496231229.db2.gz QEXCTVAAYWUNRW-CJNGLKHVSA-N 0 3 363.527 3.212 20 30 FGEDHN CN(C)[C@@H](CC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000571864019 505831794 /nfs/dbraw/zinc/83/17/94/505831794.db2.gz DJDVUKGSOQFQTN-IBGZPJMESA-N 0 3 362.477 3.158 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](CCO)C(C)C)c1C#N ZINC000161906834 496260180 /nfs/dbraw/zinc/26/01/80/496260180.db2.gz WRBTUASWUNKAPK-GOSISDBHSA-N 0 3 360.502 3.027 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000181115531 496275478 /nfs/dbraw/zinc/27/54/78/496275478.db2.gz GGFAQFVYWGTOSX-SFHVURJKSA-N 0 3 358.530 3.475 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178059351 496310096 /nfs/dbraw/zinc/31/00/96/496310096.db2.gz WEFDZZHTUOJFHI-GOSISDBHSA-N 0 3 363.461 3.079 20 30 FGEDHN CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)n[nH]1 ZINC000152967567 496310944 /nfs/dbraw/zinc/31/09/44/496310944.db2.gz PQQXPCYEGAUOLV-HNNXBMFYSA-N 0 3 370.416 3.411 20 30 FGEDHN CCc1nc(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)n[nH]1 ZINC000152967567 496310945 /nfs/dbraw/zinc/31/09/45/496310945.db2.gz PQQXPCYEGAUOLV-HNNXBMFYSA-N 0 3 370.416 3.411 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN2CCCN(C3CC3)CC2)ccc1Cl ZINC000172540454 496334715 /nfs/dbraw/zinc/33/47/15/496334715.db2.gz ZVKODNHYCKRYBE-UHFFFAOYSA-N 0 3 374.916 3.065 20 30 FGEDHN Cc1cc(NC(=O)C2(C#N)CC(C)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000578000205 505838301 /nfs/dbraw/zinc/83/83/01/505838301.db2.gz GATCYTPSEWBERD-UHFFFAOYSA-N 0 3 354.498 3.404 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000162641913 496388594 /nfs/dbraw/zinc/38/85/94/496388594.db2.gz RXVLBLCLIXQULZ-QGZVFWFLSA-N 0 3 355.482 3.202 20 30 FGEDHN Cc1ccc([C@H](CN[C@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)o1 ZINC000181423700 496389375 /nfs/dbraw/zinc/38/93/75/496389375.db2.gz DJSPXXBWQVQRKV-XLIONFOSSA-N 0 3 369.465 3.215 20 30 FGEDHN CCCN(CCN1CCCCCC1)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000571919003 505845990 /nfs/dbraw/zinc/84/59/90/505845990.db2.gz HJHDOHWGNPEJKH-UHFFFAOYSA-N 0 3 360.502 3.295 20 30 FGEDHN N#Cc1cccc(CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000578031801 505846091 /nfs/dbraw/zinc/84/60/91/505846091.db2.gz COHVECRSPQWVTN-FQEVSTJZSA-N 0 3 365.452 3.268 20 30 FGEDHN CC[C@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178628766 496522058 /nfs/dbraw/zinc/52/20/58/496522058.db2.gz IKBVVZGRAIDXRA-HOTGVXAUSA-N 0 3 372.513 3.086 20 30 FGEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000181775340 496539729 /nfs/dbraw/zinc/53/97/29/496539729.db2.gz DSCJKXBHKXRMPB-MRXNPFEDSA-N 0 3 356.491 3.288 20 30 FGEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000187752635 496557777 /nfs/dbraw/zinc/55/77/77/496557777.db2.gz SZAZUDWEKJMMCR-KNQAVFIVSA-N 0 3 370.541 3.045 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000187766393 496562972 /nfs/dbraw/zinc/56/29/72/496562972.db2.gz XVJFNJOSQFUJMD-NQIIRXRSSA-N 0 3 359.514 3.010 20 30 FGEDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1C#N ZINC000173208696 496594271 /nfs/dbraw/zinc/59/42/71/496594271.db2.gz ZUTZWXMASYNZGH-JKSUJKDBSA-N 0 3 359.433 3.422 20 30 FGEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000153911862 496621513 /nfs/dbraw/zinc/62/15/13/496621513.db2.gz LJKVXMUOZHIJGQ-INIZCTEOSA-N 0 3 369.415 3.431 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)n2c1 ZINC000181994529 496628457 /nfs/dbraw/zinc/62/84/57/496628457.db2.gz DVGJBJLYEZSVJS-CQSZACIVSA-N 0 3 369.831 3.367 20 30 FGEDHN NC(=O)C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000182081163 496662000 /nfs/dbraw/zinc/66/20/00/496662000.db2.gz MJKDXSSFILWSGL-KRWDZBQOSA-N 0 3 368.399 3.351 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000580886317 505860750 /nfs/dbraw/zinc/86/07/50/505860750.db2.gz IVYQYTMYKAEROT-HOCLYGCPSA-N 0 3 354.479 3.082 20 30 FGEDHN C=CCN1CCC(NC(=O)Cc2cccc(Br)c2C)CC1 ZINC000191366350 496739019 /nfs/dbraw/zinc/73/90/19/496739019.db2.gz PSHHCHPPBKOQES-UHFFFAOYSA-N 0 3 351.288 3.067 20 30 FGEDHN Cc1c(Cl)cnc(NCc2ccccc2CN2CC[C@H](O)C2)c1C#N ZINC000273283293 496763360 /nfs/dbraw/zinc/76/33/60/496763360.db2.gz DOIPQJYXBMPRSN-INIZCTEOSA-N 0 3 356.857 3.094 20 30 FGEDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000191476354 496776001 /nfs/dbraw/zinc/77/60/01/496776001.db2.gz XODJTPNCAAHOLV-INIZCTEOSA-N 0 3 353.470 3.056 20 30 FGEDHN C[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000194974109 496778766 /nfs/dbraw/zinc/77/87/66/496778766.db2.gz NAYKYMLJLWHJEZ-HUUCEWRRSA-N 0 3 357.479 3.220 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277666031 496847477 /nfs/dbraw/zinc/84/74/77/496847477.db2.gz MBCCNVKENUDNQK-KRWDZBQOSA-N 0 3 363.477 3.024 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191695316 496857509 /nfs/dbraw/zinc/85/75/09/496857509.db2.gz QBNLYJXJELWCFF-CYBMUJFWSA-N 0 3 371.403 3.418 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000264306531 496867567 /nfs/dbraw/zinc/86/75/67/496867567.db2.gz XJEMXMMMVLQRPB-UHFFFAOYSA-N 0 3 366.465 3.057 20 30 FGEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000264323415 496873065 /nfs/dbraw/zinc/87/30/65/496873065.db2.gz BJJAOOFLSOQTAK-UHFFFAOYSA-N 0 3 356.514 3.077 20 30 FGEDHN C=CCN1CCC(NC(=O)NCCc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000264386686 496888371 /nfs/dbraw/zinc/88/83/71/496888371.db2.gz VSLUYBVEYYXYGV-UHFFFAOYSA-N 0 3 368.481 3.142 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000264408830 496894136 /nfs/dbraw/zinc/89/41/36/496894136.db2.gz SSMJYVSNMBUFFX-LJQANCHMSA-N 0 3 373.497 3.021 20 30 FGEDHN N#Cc1cccc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)n1 ZINC000574874005 505872784 /nfs/dbraw/zinc/87/27/84/505872784.db2.gz CXTXKGQTLWPBHM-UHFFFAOYSA-N 0 3 363.465 3.126 20 30 FGEDHN CN(C[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1)C(=O)OC(C)(C)C ZINC000264567149 496931520 /nfs/dbraw/zinc/93/15/20/496931520.db2.gz PZLYLEBTXGNCLJ-QGZVFWFLSA-N 0 3 359.470 3.278 20 30 FGEDHN C=C(C)CN1CCC(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)CC1 ZINC000264835497 496995554 /nfs/dbraw/zinc/99/55/54/496995554.db2.gz FAAVFHDISMOUAG-UHFFFAOYSA-N 0 3 356.514 3.406 20 30 FGEDHN CN1CCN(C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)c2ccccc2)CC1 ZINC000580982231 505882691 /nfs/dbraw/zinc/88/26/91/505882691.db2.gz SKKAUBMLJWALDC-XZOQPEGZSA-N 0 3 360.505 3.124 20 30 FGEDHN C=C(C)[C@H](CC(=O)N1CCC(N2CCc3ccccc3C2)CC1)OCC ZINC000270137914 497065538 /nfs/dbraw/zinc/06/55/38/497065538.db2.gz ZLHHUKMWEZSZKL-NRFANRHFSA-N 0 3 356.510 3.407 20 30 FGEDHN CC[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000278371369 497091656 /nfs/dbraw/zinc/09/16/56/497091656.db2.gz CEOYPKZREROOIH-FQEVSTJZSA-N 0 3 369.490 3.339 20 30 FGEDHN N#CC1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCCCC1 ZINC000265749316 497174943 /nfs/dbraw/zinc/17/49/43/497174943.db2.gz IVIUPRNAJPBDJL-UHFFFAOYSA-N 0 3 373.472 3.259 20 30 FGEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000574950879 505889624 /nfs/dbraw/zinc/88/96/24/505889624.db2.gz SOAFVXLTIRGCPW-MAUKXSAKSA-N 0 3 370.497 3.103 20 30 FGEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278824869 497233357 /nfs/dbraw/zinc/23/33/57/497233357.db2.gz STKZXXLFYGJXJO-NHCUHLMSSA-N 0 3 363.461 3.409 20 30 FGEDHN C=CCC[C@@H](C(=O)Nc1ccc(=O)n(CCN(C)C)c1)c1ccccc1 ZINC000275081229 497233684 /nfs/dbraw/zinc/23/36/84/497233684.db2.gz YBWOWMKDJJDNOZ-LJQANCHMSA-N 0 3 353.466 3.098 20 30 FGEDHN C=CCOCCCC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000266267840 497291122 /nfs/dbraw/zinc/29/11/22/497291122.db2.gz GMJIYNDNYKVTAB-UHFFFAOYSA-N 0 3 360.498 3.006 20 30 FGEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000278990232 497293214 /nfs/dbraw/zinc/29/32/14/497293214.db2.gz BDAOBNDTXKKVBG-NQIIRXRSSA-N 0 3 367.497 3.494 20 30 FGEDHN CC(C)N1CCC(N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279003657 497299065 /nfs/dbraw/zinc/29/90/65/497299065.db2.gz MCQPLEDUVJHPSD-UHFFFAOYSA-N 0 3 352.438 3.158 20 30 FGEDHN N#CCCn1cc(CNC[C@@H]2COC3(CCCC3)O2)c(-c2ccccc2)n1 ZINC000271384102 497335018 /nfs/dbraw/zinc/33/50/18/497335018.db2.gz DXMDGHLKUNCGOU-LJQANCHMSA-N 0 3 366.465 3.239 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000569301866 505900916 /nfs/dbraw/zinc/90/09/16/505900916.db2.gz MRDMAOGHDMZKDG-NJYVYQBISA-N 0 3 366.509 3.485 20 30 FGEDHN C#CCOc1ccccc1CN[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000271460542 497354348 /nfs/dbraw/zinc/35/43/48/497354348.db2.gz JVZZMSLZIPPJKD-SFHVURJKSA-N 0 3 350.462 3.386 20 30 FGEDHN CC1(C)CCCc2cc(C#N)c(N3CCC(CN4CCOCC4)CC3)nc21 ZINC000569304713 505902024 /nfs/dbraw/zinc/90/20/24/505902024.db2.gz GNOVCTKJHHMHTM-UHFFFAOYSA-N 0 3 368.525 3.116 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C)nc1-c1ccoc1)C(C)C ZINC000569305457 505902213 /nfs/dbraw/zinc/90/22/13/505902213.db2.gz PSVNRQDOWQHZJB-SFHVURJKSA-N 0 3 356.470 3.109 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(OC3CCCC3)nc2)cc1 ZINC000279287040 497393982 /nfs/dbraw/zinc/39/39/82/497393982.db2.gz KTPZBESOBUYVJD-LJQANCHMSA-N 0 3 374.444 3.273 20 30 FGEDHN N#CCc1ccccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000572159936 505904014 /nfs/dbraw/zinc/90/40/14/505904014.db2.gz JTHCGFRLKRYRHB-UHFFFAOYSA-N 0 3 362.477 3.294 20 30 FGEDHN CN(CCOc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279386231 497424365 /nfs/dbraw/zinc/42/43/65/497424365.db2.gz KVZRUKZKKUSPLW-UHFFFAOYSA-N 0 3 361.449 3.370 20 30 FGEDHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)nc1 ZINC000266922861 497446145 /nfs/dbraw/zinc/44/61/45/497446145.db2.gz MQXUINQIRWPZSA-SFHVURJKSA-N 0 3 364.449 3.143 20 30 FGEDHN N#Cc1cc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000193757781 497470008 /nfs/dbraw/zinc/47/00/08/497470008.db2.gz HMLBSCCHUXREJC-MRXNPFEDSA-N 0 3 352.413 3.341 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cccc(CC#N)c3)CC2)C[C@@H](C)O1 ZINC000267370559 497535873 /nfs/dbraw/zinc/53/58/73/497535873.db2.gz FTIXLMQRRLARMR-QZTJIDSGSA-N 0 3 369.509 3.104 20 30 FGEDHN CC(C)CO[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000190610963 497545251 /nfs/dbraw/zinc/54/52/51/497545251.db2.gz NPWZZCPSXAGONV-VAMGGRTRSA-N 0 3 369.509 3.088 20 30 FGEDHN CC(=O)c1cccc(OC[C@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000569352189 505914950 /nfs/dbraw/zinc/91/49/50/505914950.db2.gz JLKBCCWLEFJSJX-KNQAVFIVSA-N 0 3 364.445 3.168 20 30 FGEDHN CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1 ZINC000572215523 505915965 /nfs/dbraw/zinc/91/59/65/505915965.db2.gz CNQJEKKMHDBEMM-UHFFFAOYSA-N 0 3 352.486 3.318 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)C[C@](C)(O)CC)CC1 ZINC000190727642 497587488 /nfs/dbraw/zinc/58/74/88/497587488.db2.gz LVKGGLRRYZPPDO-JOCHJYFZSA-N 0 3 373.541 3.400 20 30 FGEDHN COc1ccccc1[C@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246160929 497641936 /nfs/dbraw/zinc/64/19/36/497641936.db2.gz ADZVEXKPNDMKER-YLJYHZDGSA-N 0 3 352.434 3.144 20 30 FGEDHN COCC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000272517332 497649322 /nfs/dbraw/zinc/64/93/22/497649322.db2.gz HIIVHNKJJJKFPY-FQEVSTJZSA-N 0 3 353.466 3.483 20 30 FGEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000280185497 497674017 /nfs/dbraw/zinc/67/40/17/497674017.db2.gz DDJHXFRBVBARCP-IEBWSBKVSA-N 0 3 367.836 3.398 20 30 FGEDHN COCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000280188101 497674977 /nfs/dbraw/zinc/67/49/77/497674977.db2.gz YPRHEVYXLMTIDX-LJQANCHMSA-N 0 3 353.466 3.344 20 30 FGEDHN C#CCNC(=O)c1cccc(-c2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000276949855 497695796 /nfs/dbraw/zinc/69/57/96/497695796.db2.gz QQEDHLAIJNCZBE-ZNMIVQPWSA-N 0 3 352.438 3.033 20 30 FGEDHN CN(Cc1ccc(F)c(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000268262955 497715064 /nfs/dbraw/zinc/71/50/64/497715064.db2.gz XXLPWNSIEAPKBF-UHFFFAOYSA-N 0 3 351.425 3.434 20 30 FGEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000280313435 497716352 /nfs/dbraw/zinc/71/63/52/497716352.db2.gz GGGLUCSNAGCIPI-MJGOQNOKSA-N 0 3 367.836 3.398 20 30 FGEDHN Cc1noc(Cl)c1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000299504138 497827083 /nfs/dbraw/zinc/82/70/83/497827083.db2.gz LJNGLFBXSFHBDO-UHFFFAOYSA-N 0 3 374.872 3.031 20 30 FGEDHN CCCN1CCC(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 ZINC000329635728 497852574 /nfs/dbraw/zinc/85/25/74/497852574.db2.gz XTMFPGJZJRLDJC-UHFFFAOYSA-N 0 3 371.437 3.292 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@H]2CCCc3occc32)c(OC)c1 ZINC000575174760 505936809 /nfs/dbraw/zinc/93/68/09/505936809.db2.gz RTCQRAKDKUUNHC-AEFFLSMTSA-N 0 3 357.450 3.424 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCCc2ccc(Cl)cc2)c1 ZINC000575174545 505937167 /nfs/dbraw/zinc/93/71/67/505937167.db2.gz JCDDRQDMTMZEJA-UHFFFAOYSA-N 0 3 362.882 3.208 20 30 FGEDHN CC[C@@H](C)NC(=O)c1cccc(CNC(=N)Nc2cc(F)ccc2F)c1 ZINC000288651857 497858862 /nfs/dbraw/zinc/85/88/62/497858862.db2.gz FHSDISYWUYURIJ-GFCCVEGCSA-N 0 3 360.408 3.420 20 30 FGEDHN C[C@]1(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCO[C@@H]1C1CC1 ZINC000329754614 497889694 /nfs/dbraw/zinc/88/96/94/497889694.db2.gz KXQNWAIKAPASFK-SBHAEUEKSA-N 0 3 357.498 3.112 20 30 FGEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000296011515 497890218 /nfs/dbraw/zinc/89/02/18/497890218.db2.gz RBTAQMUJNJDDMF-LJQANCHMSA-N 0 3 367.497 3.028 20 30 FGEDHN COCc1cccc2sc(=NC(=O)N(C)C[C@@H]3CCCN(C)C3)[nH]c21 ZINC000329760423 497892291 /nfs/dbraw/zinc/89/22/91/497892291.db2.gz QDNQKALBGZXGHF-CYBMUJFWSA-N 0 3 362.499 3.262 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccoc1C(F)(F)F ZINC000292180267 497911458 /nfs/dbraw/zinc/91/14/58/497911458.db2.gz ZHHLGUHULPKSBU-UHFFFAOYSA-N 0 3 365.355 3.374 20 30 FGEDHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000329825877 497915766 /nfs/dbraw/zinc/91/57/66/497915766.db2.gz IMMHMBRXKJUSBK-QZTJIDSGSA-N 0 3 350.503 3.060 20 30 FGEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000280843041 497920947 /nfs/dbraw/zinc/92/09/47/497920947.db2.gz YRCZVGAXQUUMFR-SJORKVTESA-N 0 3 360.454 3.199 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc2cnn(C)c2c1)C(C)C ZINC000581284729 505951476 /nfs/dbraw/zinc/95/14/76/505951476.db2.gz YLCBFYLQTPUMNT-FQEVSTJZSA-N 0 3 369.513 3.071 20 30 FGEDHN C[C@]1(CNC(=O)c2cc3n(n2)CCCO3)CCCN1Cc1ccccc1 ZINC000329902002 497944992 /nfs/dbraw/zinc/94/49/92/497944992.db2.gz HJAHUUKONMGZEV-HXUWFJFHSA-N 0 3 354.454 3.025 20 30 FGEDHN CC[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCO1 ZINC000569550780 505962238 /nfs/dbraw/zinc/96/22/38/505962238.db2.gz VMLNRZYQJDJPEZ-CQSZACIVSA-N 0 3 361.511 3.328 20 30 FGEDHN CC(C(=O)NC[C@H]1CCCc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000330045060 498001694 /nfs/dbraw/zinc/00/16/94/498001694.db2.gz HYQGYAYQNWEXPZ-GDBMZVCRSA-N 0 3 365.495 3.045 20 30 FGEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1snnc1C1CC1 ZINC000330113105 498025662 /nfs/dbraw/zinc/02/56/62/498025662.db2.gz CMYTYADGKURCKU-UHFFFAOYSA-N 0 3 358.467 3.009 20 30 FGEDHN O=C(CCN1CCN2C(=O)NC(=O)[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000330138751 498035533 /nfs/dbraw/zinc/03/55/33/498035533.db2.gz VTCIKLKJTLAQEV-GFCCVEGCSA-N 0 3 371.224 3.048 20 30 FGEDHN CC(C(=O)NC1(c2cccc(Cl)c2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330159866 498045271 /nfs/dbraw/zinc/04/52/71/498045271.db2.gz RIHKRVITHGFZGI-GFCCVEGCSA-N 0 3 371.886 3.268 20 30 FGEDHN N#CC1(CCCN[C@@H](CO)c2ccccc2OC(F)(F)F)CCOCC1 ZINC000281185936 498048733 /nfs/dbraw/zinc/04/87/33/498048733.db2.gz BHNHZFNPFJCRSE-HNNXBMFYSA-N 0 3 372.387 3.309 20 30 FGEDHN O=C(NCc1ccccc1)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330227186 498068706 /nfs/dbraw/zinc/06/87/06/498068706.db2.gz UVGRSLVOPDXNRY-LJQANCHMSA-N 0 3 355.482 3.009 20 30 FGEDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H](O)C1CCCCC1 ZINC000330249149 498078372 /nfs/dbraw/zinc/07/83/72/498078372.db2.gz GNOUKUNLRBHHEC-UXHICEINSA-N 0 3 360.498 3.175 20 30 FGEDHN C[C@H](CNC(=O)N[C@@H]1CCOC2(CCCCC2)C1)N1CCC[C@@H](C)C1 ZINC000330270067 498088518 /nfs/dbraw/zinc/08/85/18/498088518.db2.gz SUODDUMBWSVDPP-KZNAEPCWSA-N 0 3 351.535 3.492 20 30 FGEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 ZINC000330332179 498108015 /nfs/dbraw/zinc/10/80/15/498108015.db2.gz ORHHYDJDILDEGB-WBVHZDCISA-N 0 3 368.481 3.444 20 30 FGEDHN CC(C)C[C@](C)(C#N)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000330473379 498138116 /nfs/dbraw/zinc/13/81/16/498138116.db2.gz BNBOBVCBLLKMKC-OAQYLSRUSA-N 0 3 356.514 3.275 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000289503131 498170882 /nfs/dbraw/zinc/17/08/82/498170882.db2.gz LAMZTALRVUHASV-YOEHRIQHSA-N 0 3 361.511 3.160 20 30 FGEDHN CC(C)[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000572546474 505994684 /nfs/dbraw/zinc/99/46/84/505994684.db2.gz NFUQPJGAGRALKX-HXUWFJFHSA-N 0 3 356.491 3.361 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000285787345 498200456 /nfs/dbraw/zinc/20/04/56/498200456.db2.gz ZDUMVLSDAYYFSU-UHFFFAOYSA-N 0 3 371.868 3.125 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000296812575 498206803 /nfs/dbraw/zinc/20/68/03/498206803.db2.gz VBMQBAAMAHAHEX-MRXNPFEDSA-N 0 3 359.539 3.319 20 30 FGEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2sccc2C#N)C1 ZINC000364927613 498214444 /nfs/dbraw/zinc/21/44/44/498214444.db2.gz AIEKPRYOTXVCHO-UHFFFAOYSA-N 0 3 355.463 3.001 20 30 FGEDHN C=CCc1cc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)cc(OC)c1O ZINC000359976783 498231268 /nfs/dbraw/zinc/23/12/68/498231268.db2.gz VIIWUDGVWPWSII-MOPGFXCFSA-N 0 3 358.482 3.105 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000365013972 498254486 /nfs/dbraw/zinc/25/44/86/498254486.db2.gz CUKGFPCJEPABNK-UHFFFAOYSA-N 0 3 357.845 3.074 20 30 FGEDHN Cc1cc(NC(=O)N(CCN(C)C)C2CCCC2)c(C#N)cc1N(C)C ZINC000331249729 498285198 /nfs/dbraw/zinc/28/51/98/498285198.db2.gz YTFDJSAINZTZQA-UHFFFAOYSA-N 0 3 357.502 3.271 20 30 FGEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000331295895 498294326 /nfs/dbraw/zinc/29/43/26/498294326.db2.gz AELKIUMPLSQBIQ-LLVKDONJSA-N 0 3 364.437 3.286 20 30 FGEDHN CC(C)[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000293206807 498305580 /nfs/dbraw/zinc/30/55/80/498305580.db2.gz RAWBZFNLARPPPS-MRXNPFEDSA-N 0 3 361.511 3.184 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281887949 498306227 /nfs/dbraw/zinc/30/62/27/498306227.db2.gz FOCKBXIHDBVOBF-TWUVWWFLSA-N 0 3 365.477 3.029 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000365172343 498333832 /nfs/dbraw/zinc/33/38/32/498333832.db2.gz VDAQHAWHLXJACU-IBGZPJMESA-N 0 3 370.541 3.243 20 30 FGEDHN COC[C@@]1(CN[C@@H](C)c2ccc(OCC#N)cc2)OCCc2ccccc21 ZINC000289899611 498344632 /nfs/dbraw/zinc/34/46/32/498344632.db2.gz TVAAEWBXJGIXHG-HTAPYJJXSA-N 0 3 366.461 3.354 20 30 FGEDHN N#CC1(CCCN2CCCC[C@@H]2CNC(=O)c2ccccc2)CCOCC1 ZINC000281985351 498345183 /nfs/dbraw/zinc/34/51/83/498345183.db2.gz MHJHGVHUSRCNPA-HXUWFJFHSA-N 0 3 369.509 3.371 20 30 FGEDHN CC1(C#N)CCN(C(=O)NCC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000361110035 498347139 /nfs/dbraw/zinc/34/71/39/498347139.db2.gz UZUFTFUDSZMNLS-UHFFFAOYSA-N 0 3 372.488 3.373 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](c1cccs1)C(C)(C)CO ZINC000289993139 498386151 /nfs/dbraw/zinc/38/61/51/498386151.db2.gz YNZBKDJFPMJIEN-SFHVURJKSA-N 0 3 360.479 3.357 20 30 FGEDHN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000569857819 506032817 /nfs/dbraw/zinc/03/28/17/506032817.db2.gz KZGLBVKDEDIDKB-ROUUACIJSA-N 0 3 369.513 3.270 20 30 FGEDHN N#C[C@@]1(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)CCc2ccccc2C1 ZINC000575933647 506036033 /nfs/dbraw/zinc/03/60/33/506036033.db2.gz RIRIJZGQESLFNK-JTHBVZDNSA-N 0 3 359.473 3.076 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000365489879 498494637 /nfs/dbraw/zinc/49/46/37/498494637.db2.gz GHWHJNCHQVJHGN-UYAOXDASSA-N 0 3 365.481 3.397 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)N(C)C[C@H]3C)sc2C1 ZINC000331920126 498500108 /nfs/dbraw/zinc/50/01/08/498500108.db2.gz IMEBKEAUMOOLJD-QLFBSQMISA-N 0 3 374.554 3.098 20 30 FGEDHN COc1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1C#N ZINC000282438348 498512524 /nfs/dbraw/zinc/51/25/24/498512524.db2.gz FUEJTVSYPQQSDM-SFHVURJKSA-N 0 3 350.466 3.479 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000297617964 498513678 /nfs/dbraw/zinc/51/36/78/498513678.db2.gz HBMIARSRSVQDEK-SFGWALBWSA-N 0 3 351.494 3.487 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cc(C(F)(F)F)ccn2)cc1 ZINC000293887166 498522183 /nfs/dbraw/zinc/52/21/83/498522183.db2.gz JAZNMEQKKGRQNX-HNNXBMFYSA-N 0 3 372.350 3.013 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000297666715 498530476 /nfs/dbraw/zinc/53/04/76/498530476.db2.gz CXAFHXZCYCZODG-UHFFFAOYSA-N 0 3 362.271 3.005 20 30 FGEDHN C/C=C/c1ccc(OC[C@H](O)CNCc2cccc(C#N)c2)c(OC)c1 ZINC000575981237 506048771 /nfs/dbraw/zinc/04/87/71/506048771.db2.gz CKUZTWJLGWOICT-MEDHRJKHSA-N 0 3 352.434 3.129 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000569925663 506049530 /nfs/dbraw/zinc/04/95/30/506049530.db2.gz QAIHBXSHMQYGIR-CXAGYDPISA-N 0 3 355.467 3.219 20 30 FGEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000286951163 498566199 /nfs/dbraw/zinc/56/61/99/498566199.db2.gz JJTFBTRDBJGTGP-TZMCWYRMSA-N 0 3 364.396 3.250 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNc2c(C#N)cccc2C#N)CC1 ZINC000302815656 498585719 /nfs/dbraw/zinc/58/57/19/498585719.db2.gz BOWDQHOCSGQVJL-UHFFFAOYSA-N 0 3 359.477 3.180 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(Br)c2)CC1 ZINC000294107426 498591607 /nfs/dbraw/zinc/59/16/07/498591607.db2.gz DBTVMIOJNBOSOW-UHFFFAOYSA-N 0 3 353.264 3.006 20 30 FGEDHN N#Cc1csc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000365741846 498620739 /nfs/dbraw/zinc/62/07/39/498620739.db2.gz IFORZEXGDCEPBA-ZWKOTPCHSA-N 0 3 351.475 3.214 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000290652388 498633573 /nfs/dbraw/zinc/63/35/73/498633573.db2.gz KEYGZCZCNZKUGE-FQEVSTJZSA-N 0 3 372.490 3.066 20 30 FGEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000282758793 498642643 /nfs/dbraw/zinc/64/26/43/498642643.db2.gz BJMNIXMDYOUKEE-YPVJZLTNSA-N 0 3 359.473 3.441 20 30 FGEDHN N#C[C@H]1CC[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000578982085 506067115 /nfs/dbraw/zinc/06/71/15/506067115.db2.gz ZOWZVYCHNFYHPN-CYZMBNFOSA-N 0 3 373.678 3.124 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000578986235 506068393 /nfs/dbraw/zinc/06/83/93/506068393.db2.gz QPYSGGLPBFLTPQ-DOTOQJQBSA-N 0 3 371.872 3.415 20 30 FGEDHN COc1ccc([C@@H](CNCc2ccc(C#N)cc2F)N(C)C)cc1OC ZINC000298067320 498655585 /nfs/dbraw/zinc/65/55/85/498655585.db2.gz AXRFIELFMVNEFL-GOSISDBHSA-N 0 3 357.429 3.107 20 30 FGEDHN C[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C#N)cc1Cl ZINC000366008343 498729576 /nfs/dbraw/zinc/72/95/76/498729576.db2.gz KAFOFGGEBQXPKF-HIFRSBDPSA-N 0 3 368.868 3.240 20 30 FGEDHN C=CCOCCCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000363279359 498742918 /nfs/dbraw/zinc/74/29/18/498742918.db2.gz YYYZACMEQMJJOA-QFBILLFUSA-N 0 3 350.890 3.432 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000294627850 498753574 /nfs/dbraw/zinc/75/35/74/498753574.db2.gz OBNOAXZMFFMXSK-OAHLLOKOSA-N 0 3 362.271 3.021 20 30 FGEDHN C=CCN1CC[C@H](N[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1=O ZINC000576196945 506098854 /nfs/dbraw/zinc/09/88/54/506098854.db2.gz OIDCTNYHVJLYPQ-LEWJYISDSA-N 0 3 350.462 3.356 20 30 FGEDHN CCN1CCN(c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)CC1 ZINC000295005020 498877320 /nfs/dbraw/zinc/87/73/20/498877320.db2.gz OOYBBYWNJHKHAG-NRFANRHFSA-N 0 3 352.482 3.241 20 30 FGEDHN CN1CCC[C@]2(CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)C1 ZINC000328721391 498915417 /nfs/dbraw/zinc/91/54/17/498915417.db2.gz WUZPWGDPQZHSAD-QFIPXVFZSA-N 0 3 363.509 3.406 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328761862 498930021 /nfs/dbraw/zinc/93/00/21/498930021.db2.gz YRXQJDNQGXNCSO-NJAFHUGGSA-N 0 3 370.497 3.367 20 30 FGEDHN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)C12CCCN1CCC2 ZINC000328784780 498938147 /nfs/dbraw/zinc/93/81/47/498938147.db2.gz OAAARQKMXWTQJB-HNNXBMFYSA-N 0 3 361.873 3.420 20 30 FGEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000329120680 499048382 /nfs/dbraw/zinc/04/83/82/499048382.db2.gz KGLUERLLLXONLE-RMJJICAUSA-N 0 3 351.535 3.180 20 30 FGEDHN C[C@H](C(=O)NC1CCCC1)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329135584 499052576 /nfs/dbraw/zinc/05/25/76/499052576.db2.gz QOYDTZGWCXPSDE-JTDSTZFVSA-N 0 3 361.534 3.022 20 30 FGEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000329273254 499088714 /nfs/dbraw/zinc/08/87/14/499088714.db2.gz IBIKZKVHOGGVQO-WBVHZDCISA-N 0 3 350.507 3.138 20 30 FGEDHN Cc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cnc1N1CCCC[C@H]1C ZINC000329335450 499102736 /nfs/dbraw/zinc/10/27/36/499102736.db2.gz LGAGZVAUJUZXHM-ZIFCJYIRSA-N 0 3 371.529 3.340 20 30 FGEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000329350550 499106172 /nfs/dbraw/zinc/10/61/72/499106172.db2.gz DHKIWZRXYMVYMV-YJBOKZPZSA-N 0 3 371.481 3.149 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc2n(n1)CCO2 ZINC000329442223 499122346 /nfs/dbraw/zinc/12/23/46/499122346.db2.gz BOZYAWKVRVPUCH-SFHVURJKSA-N 0 3 368.481 3.053 20 30 FGEDHN CN(CC(=O)NC1CCOCC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000329470347 499126264 /nfs/dbraw/zinc/12/62/64/499126264.db2.gz YDBPDRIWXLXKJU-MSOLQXFVSA-N 0 3 350.434 3.113 20 30 FGEDHN Cc1sc2ncn(CCC(=O)N[C@H](C)C3=CCN(C)CC3)c(=O)c2c1C ZINC000329482951 499127532 /nfs/dbraw/zinc/12/75/32/499127532.db2.gz DYUOIGSMVBBGQH-CYBMUJFWSA-N 0 3 374.510 3.072 20 30 FGEDHN CN(C(=O)c1ccc(NCc2cccc(C#N)c2)cc1)[C@H]1CCCN(C)C1 ZINC000367067664 499143223 /nfs/dbraw/zinc/14/32/23/499143223.db2.gz OILRKYGVTDDWEI-NRFANRHFSA-N 0 3 362.477 3.337 20 30 FGEDHN C#CCC1(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CCCCC1 ZINC000372697095 499162178 /nfs/dbraw/zinc/16/21/78/499162178.db2.gz RRNMSZXZZKTPOU-RTBURBONSA-N 0 3 360.542 3.308 20 30 FGEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000367221941 499163896 /nfs/dbraw/zinc/16/38/96/499163896.db2.gz VKFIRAZPIVWNEL-INIZCTEOSA-N 0 3 364.449 3.223 20 30 FGEDHN C=CCC[C@H](NC(=O)N1CCCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000370427213 499219909 /nfs/dbraw/zinc/21/99/09/499219909.db2.gz CKBIPJFFPJUJLO-IBGZPJMESA-N 0 3 359.514 3.182 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000370483977 499224673 /nfs/dbraw/zinc/22/46/73/499224673.db2.gz MQYROIULQPRCKO-JOCHJYFZSA-N 0 3 366.424 3.428 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000368406782 499292926 /nfs/dbraw/zinc/29/29/26/499292926.db2.gz HKBRQKMTAOKFAE-JOCHJYFZSA-N 0 3 361.445 3.408 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)[C@H]1OCCc2sccc21 ZINC000368629661 499315485 /nfs/dbraw/zinc/31/54/85/499315485.db2.gz AYNRFGPCGKYRJH-BDJLRTHQSA-N 0 3 361.492 3.302 20 30 FGEDHN C=CC[C@@H](C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000368739431 499326925 /nfs/dbraw/zinc/32/69/25/499326925.db2.gz IBNJHUCKPSGLNP-OAQYLSRUSA-N 0 3 369.553 3.222 20 30 FGEDHN Cn1cc(CN2CCCC[C@@H]2Cn2cccn2)c(-c2ccc(C#N)cc2)n1 ZINC000371528501 499338603 /nfs/dbraw/zinc/33/86/03/499338603.db2.gz MEXYTLFKEAJOGQ-HXUWFJFHSA-N 0 3 360.465 3.210 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000371623716 499348408 /nfs/dbraw/zinc/34/84/08/499348408.db2.gz DLYSBVGUOKYYLQ-MRXNPFEDSA-N 0 3 373.460 3.019 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000369081250 499363758 /nfs/dbraw/zinc/36/37/58/499363758.db2.gz NYUAZCPACMZZIM-UHFFFAOYSA-N 0 3 374.504 3.086 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000369104908 499365949 /nfs/dbraw/zinc/36/59/49/499365949.db2.gz NASRGXHLTVPPJD-JOCHJYFZSA-N 0 3 361.489 3.249 20 30 FGEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000369161322 499372876 /nfs/dbraw/zinc/37/28/76/499372876.db2.gz DXOZCWNLXGBYSE-HXUWFJFHSA-N 0 3 373.460 3.007 20 30 FGEDHN N#CCC[C@H](NC(=O)c1cnn(CCN2CCCCC2)c1)c1ccccc1 ZINC000372129955 499401677 /nfs/dbraw/zinc/40/16/77/499401677.db2.gz DKYAPHQTBUTOSE-FQEVSTJZSA-N 0 3 365.481 3.144 20 30 FGEDHN C#CCCCC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000373788698 499488001 /nfs/dbraw/zinc/48/80/01/499488001.db2.gz TVFKBKKGZAMOQF-IBGZPJMESA-N 0 3 350.466 3.381 20 30 FGEDHN Cc1cc(NC(=O)C(C)(C)C#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000378195578 499489320 /nfs/dbraw/zinc/48/93/20/499489320.db2.gz CMNQNUWCXWNISF-KRWDZBQOSA-N 0 3 351.454 3.127 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378379669 499509498 /nfs/dbraw/zinc/50/94/98/499509498.db2.gz SQNZLWFCASLVJS-RTBURBONSA-N 0 3 371.481 3.082 20 30 FGEDHN Cc1nc(CO[C@H]2CCN(CCCOc3cccc(C#N)c3)C2)cs1 ZINC000375395295 499513624 /nfs/dbraw/zinc/51/36/24/499513624.db2.gz RLXYIMIXVFNRMD-IBGZPJMESA-N 0 3 357.479 3.383 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2O1 ZINC000378470606 499521117 /nfs/dbraw/zinc/52/11/17/499521117.db2.gz CLMJQUIBHMUEEW-GOSISDBHSA-N 0 3 361.445 3.211 20 30 FGEDHN C[C@@H](N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(C#N)s1 ZINC000378470879 499521322 /nfs/dbraw/zinc/52/13/22/499521322.db2.gz IIQNDXAURFQEOC-TZMCWYRMSA-N 0 3 357.483 3.195 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000375922108 499568705 /nfs/dbraw/zinc/56/87/05/499568705.db2.gz UDSIYBMYHAFHRL-PMACEKPBSA-N 0 3 351.450 3.048 20 30 FGEDHN CCN([C@H](C)c1ccc(C#N)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000409449896 499597537 /nfs/dbraw/zinc/59/75/37/499597537.db2.gz AABMBAIZMWCYKD-CZUORRHYSA-N 0 3 353.388 3.494 20 30 FGEDHN COc1ccc([C@@H](CCC#N)NC[C@@H](CC(C)C)N2CCOCC2)cc1 ZINC000582175193 506151724 /nfs/dbraw/zinc/15/17/24/506151724.db2.gz SZICBQINTSKXHX-TZIWHRDSSA-N 0 3 359.514 3.377 20 30 FGEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCCN(c3ccncn3)C2)cc1 ZINC000376463410 499610497 /nfs/dbraw/zinc/61/04/97/499610497.db2.gz MHZBJMIWQYODJD-HKUYNNGSSA-N 0 3 351.454 3.089 20 30 FGEDHN N#CCCC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000582178031 506152479 /nfs/dbraw/zinc/15/24/79/506152479.db2.gz HLZDRFRLVPXEHV-UHFFFAOYSA-N 0 3 354.498 3.160 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ncc(C#N)cc1Cl ZINC000410547315 499667169 /nfs/dbraw/zinc/66/71/69/499667169.db2.gz OMEVRGUUKDJRKG-KDOFPFPSSA-N 0 3 368.868 3.247 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2COc3cccc(Cl)c32)cc1 ZINC000377510537 499698780 /nfs/dbraw/zinc/69/87/80/499698780.db2.gz YOEUKUSFZAVFFQ-ZBFHGGJFSA-N 0 3 351.793 3.144 20 30 FGEDHN C=CCN(Cc1cnc([C@H](C)O)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377550592 499703747 /nfs/dbraw/zinc/70/37/47/499703747.db2.gz PTJFQAVXGXFILA-FUHWJXTLSA-N 0 3 357.523 3.459 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000377755352 499729000 /nfs/dbraw/zinc/72/90/00/499729000.db2.gz FVKLIPDEPACWSE-DYVFJYSZSA-N 0 3 373.478 3.169 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@H](CCO)c2ccccc2)cc1Cl ZINC000411440940 499740942 /nfs/dbraw/zinc/74/09/42/499740942.db2.gz CPQAHWZWOOAAKN-GOSISDBHSA-N 0 3 357.841 3.254 20 30 FGEDHN CC(C)(NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000411763480 499787591 /nfs/dbraw/zinc/78/75/91/499787591.db2.gz YUCAQVBSGOCYID-UHFFFAOYSA-N 0 3 352.394 3.320 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@]34CCOC4)sc2C1 ZINC000411764185 499788036 /nfs/dbraw/zinc/78/80/36/499788036.db2.gz DRCCRRFXUKINMU-JLTOFOAXSA-N 0 3 373.522 3.328 20 30 FGEDHN CO[C@@](C)([C@H](C)NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000411939349 499804817 /nfs/dbraw/zinc/80/48/17/499804817.db2.gz FKUDIGOYFMCQET-UWJYYQICSA-N 0 3 357.498 3.343 20 30 FGEDHN COC(=O)[C@@]1(C)CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000414556758 499808585 /nfs/dbraw/zinc/80/85/85/499808585.db2.gz KPNCCBAHFNNWRL-NRFANRHFSA-N 0 3 366.465 3.239 20 30 FGEDHN C[C@@](Cc1ccccc1)(NCC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000412097850 499822904 /nfs/dbraw/zinc/82/29/04/499822904.db2.gz PMRVFWCENFJFQT-QHCPKHFHSA-N 0 3 374.488 3.390 20 30 FGEDHN CN1CCC[C@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000570418780 506163818 /nfs/dbraw/zinc/16/38/18/506163818.db2.gz STVZCKWEVZMOFO-PMACEKPBSA-N 0 3 360.461 3.224 20 30 FGEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000415578608 499903876 /nfs/dbraw/zinc/90/38/76/499903876.db2.gz PHWBCKHFKILSPW-DLBZAZTESA-N 0 3 351.454 3.073 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000416091613 499947271 /nfs/dbraw/zinc/94/72/71/499947271.db2.gz AJMKCWJIGHTPHX-CTNGQTDRSA-N 0 3 354.413 3.306 20 30 FGEDHN C[C@@H]1CN(CCCNc2cc(Br)c(C#N)cc2F)CCCO1 ZINC000576480500 506169259 /nfs/dbraw/zinc/16/92/59/506169259.db2.gz XCVJOGGEJRKGTL-GFCCVEGCSA-N 0 3 370.266 3.373 20 30 FGEDHN COC1(C(F)(F)F)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000416269668 500002310 /nfs/dbraw/zinc/00/23/10/500002310.db2.gz QALKLHMHJIXSHW-HNNXBMFYSA-N 0 3 354.372 3.329 20 30 FGEDHN COC1(C(F)(F)F)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000416269669 500002395 /nfs/dbraw/zinc/00/23/95/500002395.db2.gz QALKLHMHJIXSHW-OAHLLOKOSA-N 0 3 354.372 3.329 20 30 FGEDHN CCN1CCN(Cc2ccc(NCc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421318024 500016051 /nfs/dbraw/zinc/01/60/51/500016051.db2.gz BJKYNQNAARRDDB-UHFFFAOYSA-N 0 3 352.457 3.447 20 30 FGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000429180821 500019912 /nfs/dbraw/zinc/01/99/12/500019912.db2.gz LAJBXKHNNBGSCG-DJJJIMSYSA-N 0 3 355.463 3.240 20 30 FGEDHN C=CCOc1ccc(C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)cc1 ZINC000416341014 500020559 /nfs/dbraw/zinc/02/05/59/500020559.db2.gz LQOJALMIFYAJCX-UHFFFAOYSA-N 0 3 370.449 3.453 20 30 FGEDHN COc1cc(CN2CC[C@H](NCc3ccc(C#N)c(F)c3)C2)cc(OC)c1 ZINC000421344590 500021632 /nfs/dbraw/zinc/02/16/32/500021632.db2.gz UJGCQRGIUYLSNP-SFHVURJKSA-N 0 3 369.440 3.079 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429239713 500031270 /nfs/dbraw/zinc/03/12/70/500031270.db2.gz HJMZMHPYCXGSFT-HNNXBMFYSA-N 0 3 354.475 3.366 20 30 FGEDHN N#Cc1ccc(CNC[C@@H]2CSCCN2Cc2ccccc2)cc1F ZINC000421382419 500034000 /nfs/dbraw/zinc/03/40/00/500034000.db2.gz JBRLWMHFAYESJM-LJQANCHMSA-N 0 3 355.482 3.405 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC000416699943 500090815 /nfs/dbraw/zinc/09/08/15/500090815.db2.gz XYNWDYADPCQSSB-SFHVURJKSA-N 0 3 363.452 3.332 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000425420722 500099957 /nfs/dbraw/zinc/09/99/57/500099957.db2.gz SUMXPVZKNBXBSG-SXLOBPIMSA-N 0 3 354.498 3.451 20 30 FGEDHN COc1ccc(COC[C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425539293 500138045 /nfs/dbraw/zinc/13/80/45/500138045.db2.gz TZCGWYXHUKOUKH-OXJNMPFZSA-N 0 3 354.450 3.137 20 30 FGEDHN CN(C)CCOc1cc(-c2noc(/C=C/c3cccc(C#N)c3)n2)ccn1 ZINC000570492871 506180089 /nfs/dbraw/zinc/18/00/89/506180089.db2.gz DLYXIKDOKUNWRU-VOTSOKGWSA-N 0 3 361.405 3.114 20 30 FGEDHN N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000421965163 500186427 /nfs/dbraw/zinc/18/64/27/500186427.db2.gz JKBZIBXJOKWPHK-GOSISDBHSA-N 0 3 363.436 3.499 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)NCc1ccc(C#N)s1 ZINC000422218247 500236422 /nfs/dbraw/zinc/23/64/22/500236422.db2.gz MIKMDTHCDKLSIR-UHFFFAOYSA-N 0 3 369.494 3.073 20 30 FGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418648545 500300663 /nfs/dbraw/zinc/30/06/63/500300663.db2.gz ZPFQVDTXIFMCJT-NRFANRHFSA-N 0 3 365.477 3.280 20 30 FGEDHN N#CCC1(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000431139023 500340285 /nfs/dbraw/zinc/34/02/85/500340285.db2.gz NIHAYCVGCZHSCB-GOSISDBHSA-N 0 3 365.399 3.251 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1(C#N)CCC1 ZINC000419630679 500386221 /nfs/dbraw/zinc/38/62/21/500386221.db2.gz UGZOQZPMHYUBGD-LJQANCHMSA-N 0 3 354.498 3.234 20 30 FGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000582353129 506194187 /nfs/dbraw/zinc/19/41/87/506194187.db2.gz PUYNNFZYXVCOOI-WMLDXEAASA-N 0 3 361.511 3.018 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000424063071 500445335 /nfs/dbraw/zinc/44/53/35/500445335.db2.gz MAQTWOJZDMRBHW-CQSZACIVSA-N 0 3 366.252 3.198 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000424071382 500447693 /nfs/dbraw/zinc/44/76/93/500447693.db2.gz BHDAGKALJZVPAL-QGZVFWFLSA-N 0 3 351.454 3.490 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000424096132 500452544 /nfs/dbraw/zinc/45/25/44/500452544.db2.gz XRJUMWDICDLPNI-HUUCEWRRSA-N 0 3 350.260 3.134 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000424134345 500458576 /nfs/dbraw/zinc/45/85/76/500458576.db2.gz HWIMXEUQZUMIME-HUUCEWRRSA-N 0 3 374.243 3.054 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000424172124 500462997 /nfs/dbraw/zinc/46/29/97/500462997.db2.gz MYLFVHWKDASQGW-VNQPRFMTSA-N 0 3 353.388 3.479 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000424528407 500513464 /nfs/dbraw/zinc/51/34/64/500513464.db2.gz GLYNWDWPCGQBKK-HSALFYBXSA-N 0 3 356.510 3.385 20 30 FGEDHN COc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)cc1OCCCC#N ZINC000428564060 500527763 /nfs/dbraw/zinc/52/77/63/500527763.db2.gz IETYVAUQQSGCAG-QGZVFWFLSA-N 0 3 352.434 3.340 20 30 FGEDHN CC(C)c1ccc(C[C@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000576630929 506202171 /nfs/dbraw/zinc/20/21/71/506202171.db2.gz VSEWOKXBHSPVJT-INIZCTEOSA-N 0 3 371.506 3.071 20 30 FGEDHN COC(=O)[C@]1(c2ccccc2)CCN(CCCOc2cccc(C#N)c2)C1 ZINC000428781868 500555980 /nfs/dbraw/zinc/55/59/80/500555980.db2.gz SAYDWHFVQIMZJV-JOCHJYFZSA-N 0 3 364.445 3.144 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(F)(F)[C@H](C)C2)c(OC)c1 ZINC000573487478 506203145 /nfs/dbraw/zinc/20/31/45/506203145.db2.gz AHFLNMOVRKWJTD-ZBFHGGJFSA-N 0 3 355.425 3.141 20 30 FGEDHN N#Cc1cnn2cc(CNCC[C@@H](c3ccccc3)C(F)(F)F)cnc12 ZINC000576636741 506203266 /nfs/dbraw/zinc/20/32/66/506203266.db2.gz GXJZEQNIQAURPZ-INIZCTEOSA-N 0 3 359.355 3.427 20 30 FGEDHN CS(=O)(=O)c1cccc(OCCN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433011872 500606164 /nfs/dbraw/zinc/60/61/64/500606164.db2.gz QGJCTPDRZWZHHZ-HXUWFJFHSA-N 0 3 372.490 3.494 20 30 FGEDHN N#CCCC[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000433012081 500606584 /nfs/dbraw/zinc/60/65/84/500606584.db2.gz RICKBQDCXBFPPV-UFYCRDLUSA-N 0 3 355.482 3.181 20 30 FGEDHN CCN1CCN([C@@H](C)CNc2c(C#N)cnc3ccc(C(C)C)cc32)CC1 ZINC000447675023 500642875 /nfs/dbraw/zinc/64/28/75/500642875.db2.gz JOLSKZHUJLQZAD-KRWDZBQOSA-N 0 3 365.525 3.090 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000433224801 500650485 /nfs/dbraw/zinc/65/04/85/500650485.db2.gz DBRJPIKBOSXGIU-FQEVSTJZSA-N 0 3 367.493 3.010 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000437543780 500658031 /nfs/dbraw/zinc/65/80/31/500658031.db2.gz DNPFFVGIPFDVKC-KRWDZBQOSA-N 0 3 357.479 3.059 20 30 FGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433308590 500668427 /nfs/dbraw/zinc/66/84/27/500668427.db2.gz ZEGWKMMCCUJAKZ-FQEVSTJZSA-N 0 3 367.468 3.488 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000433319280 500671223 /nfs/dbraw/zinc/67/12/23/500671223.db2.gz QSCALDIIWMFLPU-OAQYLSRUSA-N 0 3 363.461 3.380 20 30 FGEDHN COc1cc(CN(C[C@@H](O)COc2ccccc2)C(C)C)ccc1C#N ZINC000443066700 500673194 /nfs/dbraw/zinc/67/31/94/500673194.db2.gz RYVAMSARFYPRLS-LJQANCHMSA-N 0 3 354.450 3.217 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@](CO)(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000447888488 500685548 /nfs/dbraw/zinc/68/55/48/500685548.db2.gz KVJLYRNYNGMUQJ-ZWDAVXSWSA-N 0 3 369.509 3.221 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)NCCCN2CCCO[C@H](C)C2)c1 ZINC000433496922 500704765 /nfs/dbraw/zinc/70/47/65/500704765.db2.gz NDBSIUXNLLMPKV-QGZVFWFLSA-N 0 3 361.486 3.264 20 30 FGEDHN CN(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1ccc(F)cc1 ZINC000443512859 500732701 /nfs/dbraw/zinc/73/27/01/500732701.db2.gz VVAWMHJLDLTRLW-OAHLLOKOSA-N 0 3 352.335 3.248 20 30 FGEDHN CCN1CCN(Cc2ccc(CNCc3ccc(C#N)c(C)c3)cc2)CC1 ZINC000443965924 500784784 /nfs/dbraw/zinc/78/47/84/500784784.db2.gz MXRSSDSNWWGVQK-UHFFFAOYSA-N 0 3 362.521 3.294 20 30 FGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c(F)c1 ZINC000443985508 500787308 /nfs/dbraw/zinc/78/73/08/500787308.db2.gz HJLZRGOCMMGZIC-ZDUSSCGKSA-N 0 3 352.331 3.055 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000434059177 500789068 /nfs/dbraw/zinc/78/90/68/500789068.db2.gz NHDVLAAXRHZNIM-UHFFFAOYSA-N 0 3 358.417 3.065 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000602568673 506219226 /nfs/dbraw/zinc/21/92/26/506219226.db2.gz LKPHLXXQZGCNHM-HNNXBMFYSA-N 0 3 350.825 3.030 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 ZINC000448913023 500867486 /nfs/dbraw/zinc/86/74/86/500867486.db2.gz RSYIJCPVZILYJC-SIKLNZKXSA-N 0 3 369.509 3.286 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cnc(C)nc1C1CC1)C(C)C ZINC000439422029 500895248 /nfs/dbraw/zinc/89/52/48/500895248.db2.gz OUMWTWXEHGHNPX-GOSISDBHSA-N 0 3 357.502 3.483 20 30 FGEDHN C=CC[C@@H]1N(CC(=O)NCc2cccc(OCCOC)c2)CCCC1(C)C ZINC000444783122 500899149 /nfs/dbraw/zinc/89/91/49/500899149.db2.gz JUVWQFFXQBMZKO-FQEVSTJZSA-N 0 3 374.525 3.395 20 30 FGEDHN CN(CCC(=O)OC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435124646 500935754 /nfs/dbraw/zinc/93/57/54/500935754.db2.gz RJZIMNPNKGIVOD-UHFFFAOYSA-N 0 3 369.469 3.022 20 30 FGEDHN CS[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@@H]1N1CCCC1 ZINC000445608806 501010511 /nfs/dbraw/zinc/01/05/11/501010511.db2.gz DXEMHNAKJAOXFP-JKSUJKDBSA-N 0 3 366.328 3.337 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000435739285 501020762 /nfs/dbraw/zinc/02/07/62/501020762.db2.gz GDDHATVEMGCLRK-SJKOYZFVSA-N 0 3 350.825 3.131 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000449548727 501030769 /nfs/dbraw/zinc/03/07/69/501030769.db2.gz QBDPMXXFYQZDKH-MOPGFXCFSA-N 0 3 354.450 3.492 20 30 FGEDHN COc1cc(CN[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000440631758 501031434 /nfs/dbraw/zinc/03/14/34/501031434.db2.gz AWLFRWBPIYGGAR-QUCCMNQESA-N 0 3 357.404 3.380 20 30 FGEDHN CN(CCN(C)C1CC1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440639157 501032636 /nfs/dbraw/zinc/03/26/36/501032636.db2.gz NPLSPPHPBQCXIU-UHFFFAOYSA-N 0 3 359.271 3.399 20 30 FGEDHN C=CCC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000449659301 501052570 /nfs/dbraw/zinc/05/25/70/501052570.db2.gz VRBFVDNVLONBBO-FQEVSTJZSA-N 0 3 355.482 3.010 20 30 FGEDHN Cn1cc(CCN[C@H](C(N)=O)c2ccc(C#N)cc2)c2ccc(Cl)cc21 ZINC000435994226 501055252 /nfs/dbraw/zinc/05/52/52/501055252.db2.gz JVBGHXYCHFEJAV-IBGZPJMESA-N 0 3 366.852 3.062 20 30 FGEDHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449675530 501058924 /nfs/dbraw/zinc/05/89/24/501058924.db2.gz AIGPNBAOFUCUEN-JTSKRJEESA-N 0 3 366.461 3.109 20 30 FGEDHN COCCN(C)CC[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000611624249 506232764 /nfs/dbraw/zinc/23/27/64/506232764.db2.gz YQKRCHTXHCYSLR-FQEVSTJZSA-N 0 3 372.513 3.031 20 30 FGEDHN Cn1cc(CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1C#N ZINC000449751691 501075288 /nfs/dbraw/zinc/07/52/88/501075288.db2.gz AHJYJJGAOYBKHI-ZWKOTPCHSA-N 0 3 362.399 3.017 20 30 FGEDHN C[C@H]1Cc2cccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2O1 ZINC000449754213 501076494 /nfs/dbraw/zinc/07/64/94/501076494.db2.gz LEZGMKGMRATYAH-INIZCTEOSA-N 0 3 363.461 3.086 20 30 FGEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000441270763 501111760 /nfs/dbraw/zinc/11/17/60/501111760.db2.gz UYZKWSPIYXHYQU-ZOBUZTSGSA-N 0 3 361.511 3.424 20 30 FGEDHN Cn1c(C#N)ccc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000450024137 501157236 /nfs/dbraw/zinc/15/72/36/501157236.db2.gz PJOSQISCJUQCQA-JOCHJYFZSA-N 0 3 362.477 3.025 20 30 FGEDHN N#Cc1cccc(CN[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000602638038 506240339 /nfs/dbraw/zinc/24/03/39/506240339.db2.gz BGTJTJITLGHFOL-INIZCTEOSA-N 0 3 357.255 3.084 20 30 FGEDHN CS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1C(F)(F)F ZINC000447089000 501204027 /nfs/dbraw/zinc/20/40/27/501204027.db2.gz UMWNCIAIDLOTLE-WCQYABFASA-N 0 3 360.401 3.281 20 30 FGEDHN N#Cc1cccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000602638040 506240968 /nfs/dbraw/zinc/24/09/68/506240968.db2.gz BGTJTJITLGHFOL-MRXNPFEDSA-N 0 3 357.255 3.084 20 30 FGEDHN CN(C)[C@H](CNc1ncc(Br)cc1C#N)c1cccs1 ZINC000450214960 501211952 /nfs/dbraw/zinc/21/19/52/501211952.db2.gz JMFLDPFJZSSANH-GFCCVEGCSA-N 0 3 351.273 3.492 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN2CCC(F)(c3ccccn3)CC2)c1 ZINC000450929997 501231319 /nfs/dbraw/zinc/23/13/19/501231319.db2.gz LGNZKYNCPBOLMU-UHFFFAOYSA-N 0 3 352.413 3.243 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451018027 501239446 /nfs/dbraw/zinc/23/94/46/501239446.db2.gz LKCPNKWGLMZUNS-INIZCTEOSA-N 0 3 359.861 3.115 20 30 FGEDHN COc1cc(CN2CCC[C@@H](O)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000451461742 501297554 /nfs/dbraw/zinc/29/75/54/501297554.db2.gz STLUYFJSIZSHSC-OXJNMPFZSA-N 0 3 366.461 3.491 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000451471296 501300174 /nfs/dbraw/zinc/30/01/74/501300174.db2.gz PFHZYWSAQMFGBK-TWKYDXJASA-N 0 3 373.522 3.280 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000451597980 501333347 /nfs/dbraw/zinc/33/33/47/501333347.db2.gz JMAKVNGECSXBBR-SVFBPWRDSA-N 0 3 370.880 3.479 20 30 FGEDHN C=CCn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453444460 501333365 /nfs/dbraw/zinc/33/33/65/501333365.db2.gz RXLCBJVVCIJDQH-WIXQSORDSA-N 0 3 373.545 3.190 20 30 FGEDHN CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](CO)C(C)C ZINC000451602377 501334675 /nfs/dbraw/zinc/33/46/75/501334675.db2.gz VLFLKXHOXMLIQU-MAUKXSAKSA-N 0 3 351.878 3.029 20 30 FGEDHN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000453471174 501341212 /nfs/dbraw/zinc/34/12/12/501341212.db2.gz SKWAWKOTBQDBLX-GOSISDBHSA-N 0 3 359.518 3.160 20 30 FGEDHN CN(CCCNC(=O)Nc1cnc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000455746124 501377885 /nfs/dbraw/zinc/37/78/85/501377885.db2.gz BIAJABLYPDALPX-UHFFFAOYSA-N 0 3 357.845 3.250 20 30 FGEDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000451841543 501384087 /nfs/dbraw/zinc/38/40/87/501384087.db2.gz LUDNWFLKWDUBNB-UXHICEINSA-N 0 3 370.541 3.355 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CN1Cc1ccccc1 ZINC000455778007 501384140 /nfs/dbraw/zinc/38/41/40/501384140.db2.gz GFWIMOYXYXMCQI-XJKSGUPXSA-N 0 3 369.856 3.391 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455793131 501387492 /nfs/dbraw/zinc/38/74/92/501387492.db2.gz RPMWHFZEUYCGMN-SCLBCKFNSA-N 0 3 369.856 3.249 20 30 FGEDHN Cc1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1OCCN(C)C ZINC000458204350 501392211 /nfs/dbraw/zinc/39/22/11/501392211.db2.gz WWOKGLWCRGHFFI-UHFFFAOYSA-N 0 3 358.829 3.108 20 30 FGEDHN N#CC(C(=O)c1ccnn1CC(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000453796659 501401399 /nfs/dbraw/zinc/40/13/99/501401399.db2.gz XZRLQEOASYGLQB-VIFPVBQESA-N 0 3 362.233 3.349 20 30 FGEDHN CCO[C@@H]1COC[C@H]1NCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451950414 501406367 /nfs/dbraw/zinc/40/63/67/501406367.db2.gz ZZFZQEPKLAGNNY-NHCUHLMSSA-N 0 3 350.462 3.280 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2CCCC[C@H]2OCC)cc1 ZINC000452035113 501422330 /nfs/dbraw/zinc/42/23/30/501422330.db2.gz WGFJJNXRTGUAPB-WOJBJXKFSA-N 0 3 373.497 3.269 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCCCC#N)CC1 ZINC000455950639 501424014 /nfs/dbraw/zinc/42/40/14/501424014.db2.gz XXGKNTZBMXPAEA-UHFFFAOYSA-N 0 3 350.850 3.238 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](COC)CC1 ZINC000452104164 501436029 /nfs/dbraw/zinc/43/60/29/501436029.db2.gz NBJIGKXPJHWOPB-IAGOWNOFSA-N 0 3 350.528 3.400 20 30 FGEDHN CC[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000454243325 501490457 /nfs/dbraw/zinc/49/04/57/501490457.db2.gz FFPFVQYVNHFAJG-VDGAXYAQSA-N 0 3 354.498 3.205 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)N(C)C)cc1 ZINC000458767173 501527091 /nfs/dbraw/zinc/52/70/91/501527091.db2.gz UNJMTSSRACNWNF-QRFRQXIXSA-N 0 3 372.513 3.458 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)NCC#Cc1cccc(F)c1 ZINC000458767558 501527206 /nfs/dbraw/zinc/52/72/06/501527206.db2.gz MCLOFZCHTSFYJV-UHFFFAOYSA-N 0 3 359.470 3.012 20 30 FGEDHN CC(C)n1cc(C2=CCCN([C@H](C)CC3(C#N)CCOCC3)CC2)nn1 ZINC000602677227 506258563 /nfs/dbraw/zinc/25/85/63/506258563.db2.gz WFGVDWYHWBETCH-QGZVFWFLSA-N 0 3 357.502 3.437 20 30 FGEDHN C=CCC1(CNC(=O)NCC(C)(C)N2CCC(OC)CC2)CCCC1 ZINC000454486241 501557342 /nfs/dbraw/zinc/55/73/42/501557342.db2.gz SFQBPVWQBMCLQK-UHFFFAOYSA-N 0 3 351.535 3.312 20 30 FGEDHN C=C[C@](C)(CC)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453033933 501605770 /nfs/dbraw/zinc/60/57/70/501605770.db2.gz UJOXMBPKSCWPGA-OAQYLSRUSA-N 0 3 357.498 3.328 20 30 FGEDHN CC(C)(CC#N)CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000459259143 501620497 /nfs/dbraw/zinc/62/04/97/501620497.db2.gz NJJRWUWIRUZXHX-UHFFFAOYSA-N 0 3 356.514 3.276 20 30 FGEDHN CC1(C)CCCN1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000457069453 501644371 /nfs/dbraw/zinc/64/43/71/501644371.db2.gz FXDRSNJGICQJDW-UHFFFAOYSA-N 0 3 367.449 3.334 20 30 FGEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000457082152 501647031 /nfs/dbraw/zinc/64/70/31/501647031.db2.gz DQJHCWQRQSPTLJ-QGZVFWFLSA-N 0 3 352.482 3.500 20 30 FGEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@@H](C)CCCc2cccnc2)c(C#N)c1C ZINC000459638727 501691526 /nfs/dbraw/zinc/69/15/26/501691526.db2.gz JHKCSVNLGQTEHX-DZGCQCFKSA-N 0 3 354.454 3.491 20 30 FGEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)CCCc2cccnc2)c(C#N)c1C ZINC000459638727 501691527 /nfs/dbraw/zinc/69/15/27/501691527.db2.gz JHKCSVNLGQTEHX-DZGCQCFKSA-N 0 3 354.454 3.491 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000457505502 501712679 /nfs/dbraw/zinc/71/26/79/501712679.db2.gz OFVMBIIGWWXFHL-VXKWHMMOSA-N 0 3 368.521 3.407 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CCCCCC2)cc1 ZINC000455257122 501717336 /nfs/dbraw/zinc/71/73/36/501717336.db2.gz PNXIDWVKGLPJGA-CQSZACIVSA-N 0 3 363.483 3.464 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1)C(C)C ZINC000460126252 501732698 /nfs/dbraw/zinc/73/26/98/501732698.db2.gz VIRKWMSQHZWTDF-QYZOEREBSA-N 0 3 363.546 3.284 20 30 FGEDHN CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN(C)C1 ZINC000592830140 506269749 /nfs/dbraw/zinc/26/97/49/506269749.db2.gz CHGKBEJUFSUILD-GOSISDBHSA-N 0 3 364.449 3.302 20 30 FGEDHN O=C(CN1CCC[C@@H]1C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000477628722 501743008 /nfs/dbraw/zinc/74/30/08/501743008.db2.gz VRAMBRHRUMCSAX-GOSISDBHSA-N 0 3 364.411 3.438 20 30 FGEDHN COC(=O)[C@@H](C)[C@@H](NCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000477635386 501745009 /nfs/dbraw/zinc/74/50/09/501745009.db2.gz LNRHVTUTGFUMDO-OXJNMPFZSA-N 0 3 352.434 3.467 20 30 FGEDHN COC(=O)[C@@H](C)[C@H](NCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000477635385 501745450 /nfs/dbraw/zinc/74/54/50/501745450.db2.gz LNRHVTUTGFUMDO-JXFKEZNVSA-N 0 3 352.434 3.467 20 30 FGEDHN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000588340024 506272484 /nfs/dbraw/zinc/27/24/84/506272484.db2.gz ZCMJGYUYCXLVOX-IFXJQAMLSA-N 0 3 354.429 3.188 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)n1Cc1ccncc1 ZINC000460368518 501805591 /nfs/dbraw/zinc/80/55/91/501805591.db2.gz AFBMBLVZLFNNQU-IBGZPJMESA-N 0 3 359.433 3.445 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccnc2OC2CCCC2)cc1 ZINC000470820548 501817238 /nfs/dbraw/zinc/81/72/38/501817238.db2.gz KBUXCBLXKUSWIM-IBGZPJMESA-N 0 3 374.444 3.273 20 30 FGEDHN C=CCNC(=O)c1ccc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000470873692 501838846 /nfs/dbraw/zinc/83/88/46/501838846.db2.gz PFVYLAHAADYDLF-HXUWFJFHSA-N 0 3 364.493 3.098 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCNC(=O)c1ccccc1F ZINC000481675681 501846418 /nfs/dbraw/zinc/84/64/18/501846418.db2.gz YIIKSPGPBNQOOC-HXUWFJFHSA-N 0 3 351.425 3.484 20 30 FGEDHN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470972238 501877677 /nfs/dbraw/zinc/87/76/77/501877677.db2.gz RNVBLOYLRKXVCH-ZNLUXHQJSA-N 0 3 359.429 3.096 20 30 FGEDHN CCCCO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000470986135 501883894 /nfs/dbraw/zinc/88/38/94/501883894.db2.gz SSZKWWAAVYMADY-GUDVDZBRSA-N 0 3 353.466 3.341 20 30 FGEDHN C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460780411 501918976 /nfs/dbraw/zinc/91/89/76/501918976.db2.gz RFTUFTSCELRSQA-GOSISDBHSA-N 0 3 369.488 3.257 20 30 FGEDHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000588374306 506281832 /nfs/dbraw/zinc/28/18/32/506281832.db2.gz GOTNVQMTQXNEPY-IFXJQAMLSA-N 0 3 354.429 3.360 20 30 FGEDHN CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000485796540 501940752 /nfs/dbraw/zinc/94/07/52/501940752.db2.gz ZUZRGLSQTQBNIT-UHFFFAOYSA-N 0 3 351.450 3.030 20 30 FGEDHN C[C@H](COc1ccccc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000471300735 501983691 /nfs/dbraw/zinc/98/36/91/501983691.db2.gz LNOGEYYWGKEWFL-GOSISDBHSA-N 0 3 365.477 3.164 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccnc(C#N)c1 ZINC000474962477 502005324 /nfs/dbraw/zinc/00/53/24/502005324.db2.gz UJPRKHWDQDINQC-FQEVSTJZSA-N 0 3 362.477 3.156 20 30 FGEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1cccc(C#N)c1)N(C)C ZINC000478534905 502011723 /nfs/dbraw/zinc/01/17/23/502011723.db2.gz BJKUJQJONXYRMM-OXJNMPFZSA-N 0 3 350.466 3.357 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)[C@@H]1OC ZINC000482499382 502089102 /nfs/dbraw/zinc/08/91/02/502089102.db2.gz NVJLWQAJEJHNDD-VSKRKVRLSA-N 0 3 366.461 3.419 20 30 FGEDHN Cc1nn(C)c(N2CCN(CC3CCC(C(F)(F)F)CC3)CC2)c1C#N ZINC000471814993 502144709 /nfs/dbraw/zinc/14/47/09/502144709.db2.gz GQYYASGXDKBION-UHFFFAOYSA-N 0 3 369.435 3.091 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475386819 502156299 /nfs/dbraw/zinc/15/62/99/502156299.db2.gz CERWHEJYWQWMQY-LJQANCHMSA-N 0 3 365.477 3.331 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1cccc(C#N)c1 ZINC000486563211 502191476 /nfs/dbraw/zinc/19/14/76/502191476.db2.gz NLGBZZMWUVKGLN-INIZCTEOSA-N 0 3 363.461 3.257 20 30 FGEDHN COc1ccc(CN(CCO)[C@@H]2CCCSC2)cc1OCCCC#N ZINC000475512049 502198131 /nfs/dbraw/zinc/19/81/31/502198131.db2.gz VAMRYIDQAIEURJ-QGZVFWFLSA-N 0 3 364.511 3.068 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468876909 502215066 /nfs/dbraw/zinc/21/50/66/502215066.db2.gz GMVBDPHHTFDTQN-CABCVRRESA-N 0 3 352.438 3.063 20 30 FGEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475597666 502223782 /nfs/dbraw/zinc/22/37/82/502223782.db2.gz WYGJSNBEQYDUMY-ZDUSSCGKSA-N 0 3 369.918 3.000 20 30 FGEDHN C[C@H](C(=O)NC1CCN(CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000461903224 502229570 /nfs/dbraw/zinc/22/95/70/502229570.db2.gz MGCHEMPCFCDDOW-SFHVURJKSA-N 0 3 361.489 3.485 20 30 FGEDHN Cc1nc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(Cl)cc1C#N ZINC000461955995 502251804 /nfs/dbraw/zinc/25/18/04/502251804.db2.gz JIQXZWNQGQHLAL-YJBOKZPZSA-N 0 3 355.873 3.439 20 30 FGEDHN C[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(-n2cccn2)c1 ZINC000465413179 502254895 /nfs/dbraw/zinc/25/48/95/502254895.db2.gz RSFXTGKXRHYPDE-IERDGZPVSA-N 0 3 371.444 3.200 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCC1 ZINC000469123917 502306725 /nfs/dbraw/zinc/30/67/25/502306725.db2.gz WXRBZMBQCSBMDY-QWHCGFSZSA-N 0 3 369.387 3.229 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cc(F)c(F)cc1F)C(C)C ZINC000486935664 502309780 /nfs/dbraw/zinc/30/97/80/502309780.db2.gz LTFMMNNBKBCLOA-GOSISDBHSA-N 0 3 354.416 3.461 20 30 FGEDHN Cc1csc2ncc(C(=O)C(C#N)c3nccc4ccccc43)c(=O)n12 ZINC000483221336 502317777 /nfs/dbraw/zinc/31/77/77/502317777.db2.gz ZGOKULYTBVUZQR-AWEZNQCLSA-N 0 3 360.398 3.103 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000462272539 502376303 /nfs/dbraw/zinc/37/63/03/502376303.db2.gz PFVREYTUKODKPB-AUUYWEPGSA-N 0 3 352.413 3.339 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000479818745 502387458 /nfs/dbraw/zinc/38/74/58/502387458.db2.gz RKINPURJXXOBFN-SFHVURJKSA-N 0 3 361.534 3.426 20 30 FGEDHN COc1ccccc1C[C@@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000476264828 502435871 /nfs/dbraw/zinc/43/58/71/502435871.db2.gz UKNDZCBKHXFQNB-PMACEKPBSA-N 0 3 366.461 3.014 20 30 FGEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476363894 502469675 /nfs/dbraw/zinc/46/96/75/502469675.db2.gz IKGZVUFVWGUOEU-FQEVSTJZSA-N 0 3 365.477 3.370 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000483765609 502486406 /nfs/dbraw/zinc/48/64/06/502486406.db2.gz RLTPYGDDGKDSBV-QZTJIDSGSA-N 0 3 351.535 3.310 20 30 FGEDHN CCO[C@@H]1C[C@H](NCCOc2ccc(C#N)cc2)[C@H]1Oc1ccccc1 ZINC000480172107 502490741 /nfs/dbraw/zinc/49/07/41/502490741.db2.gz MGKKRXOHMKFENH-PWRODBHTSA-N 0 3 352.434 3.152 20 30 FGEDHN Cc1nc2sccn2c1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000469700245 502506995 /nfs/dbraw/zinc/50/69/95/502506995.db2.gz IYHBEVSSLXDCTA-INIZCTEOSA-N 0 3 352.463 3.435 20 30 FGEDHN CC(C)N1CC[C@H](NCc2cc(C#N)n(C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000480270234 502520823 /nfs/dbraw/zinc/52/08/23/502520823.db2.gz YLEZUUZIUACENG-VQTJNVASSA-N 0 3 358.436 3.489 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000480294491 502527955 /nfs/dbraw/zinc/52/79/55/502527955.db2.gz NXVXSXFSDRNHHZ-FQEVSTJZSA-N 0 3 362.473 3.312 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc3nc(C(F)(F)F)cn3c2)nc(C)n1 ZINC000473487523 502608388 /nfs/dbraw/zinc/60/83/88/502608388.db2.gz ARXIEJFNKXWXCQ-LBPRGKRZSA-N 0 3 359.311 3.250 20 30 FGEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000473496152 502610532 /nfs/dbraw/zinc/61/05/32/502610532.db2.gz MMCPADGSYHLHBH-SIKLNZKXSA-N 0 3 356.510 3.482 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000588746273 506324932 /nfs/dbraw/zinc/32/49/32/506324932.db2.gz BGBBWJGRHRIORV-SLFFLAALSA-N 0 3 354.498 3.342 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCC[C@H](O)C1 ZINC000488220106 502662292 /nfs/dbraw/zinc/66/22/92/502662292.db2.gz UFECEBUESPHREL-SJORKVTESA-N 0 3 364.559 3.136 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2nc3ncccc3cc2C#N)C1 ZINC000596257881 506330489 /nfs/dbraw/zinc/33/04/89/506330489.db2.gz SJQMJSCMICLADC-QGZVFWFLSA-N 0 3 357.461 3.460 20 30 FGEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000485046759 502809999 /nfs/dbraw/zinc/80/99/99/502809999.db2.gz CLWWMRZABYIGLX-SFHVURJKSA-N 0 3 365.433 3.049 20 30 FGEDHN C=CCCc1ccccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000505004464 502838587 /nfs/dbraw/zinc/83/85/87/502838587.db2.gz CVVJSBPAOBNJTH-NQIIRXRSSA-N 0 3 370.541 3.295 20 30 FGEDHN Cn1cc(C2=CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000602885253 506337410 /nfs/dbraw/zinc/33/74/10/506337410.db2.gz DOWAXLAZZNEAQN-UHFFFAOYSA-N 0 3 369.856 3.063 20 30 FGEDHN CCCN(CCN1CCCCC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000513143583 502863177 /nfs/dbraw/zinc/86/31/77/502863177.db2.gz FCDXNXKPFKFERR-UHFFFAOYSA-N 0 3 362.905 3.348 20 30 FGEDHN C[C@@]1(CNC(=O)N2CCC(C)(C#N)CC2)CCCN1Cc1ccccc1 ZINC000489051225 502869213 /nfs/dbraw/zinc/86/92/13/502869213.db2.gz JCBKARWIGPZGJG-NRFANRHFSA-N 0 3 354.498 3.376 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](c3ccc4cccnc4n3)C2)cc1 ZINC000602890255 506339510 /nfs/dbraw/zinc/33/95/10/506339510.db2.gz ZKFMLBTXMIWNIX-SFHVURJKSA-N 0 3 371.444 3.320 20 30 FGEDHN CC[C@H](CNC(=O)NCC#Cc1ccccc1)N1CCc2ccccc2C1 ZINC000501386753 502998554 /nfs/dbraw/zinc/99/85/54/502998554.db2.gz JDTYQUVWWRTXKY-JOCHJYFZSA-N 0 3 361.489 3.174 20 30 FGEDHN C=CCOc1cccc(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000509947972 503017217 /nfs/dbraw/zinc/01/72/17/503017217.db2.gz GNXMPZSCKLRRPI-IBGZPJMESA-N 0 3 366.461 3.021 20 30 FGEDHN CN(C)Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506011137 503029194 /nfs/dbraw/zinc/02/91/94/503029194.db2.gz YMHCNETZDBTNTB-UHFFFAOYSA-N 0 3 351.425 3.107 20 30 FGEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513862738 503037937 /nfs/dbraw/zinc/03/79/37/503037937.db2.gz YXMHSOXMXKMTPV-ASTDHERZSA-N 0 3 359.857 3.086 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000489969015 503077850 /nfs/dbraw/zinc/07/78/50/503077850.db2.gz CHVVUIXCVKBYBT-WOJBJXKFSA-N 0 3 357.498 3.074 20 30 FGEDHN Cc1cccc2ncc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)n21 ZINC000506249127 503078275 /nfs/dbraw/zinc/07/82/75/503078275.db2.gz QSAGDJOERHPONN-UHFFFAOYSA-N 0 3 359.477 3.222 20 30 FGEDHN CCC[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CCN1CCOC ZINC000501796468 503081595 /nfs/dbraw/zinc/08/15/95/503081595.db2.gz UQEDMADUOURZNS-QGZVFWFLSA-N 0 3 367.440 3.092 20 30 FGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCc3ccccc3C2)CC1 ZINC000593037176 506351926 /nfs/dbraw/zinc/35/19/26/506351926.db2.gz OOAMSXHKUAEBQI-KRWDZBQOSA-N 0 3 351.494 3.208 20 30 FGEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000506501239 503127241 /nfs/dbraw/zinc/12/72/41/503127241.db2.gz UZTFICKXDAQJOP-SFHVURJKSA-N 0 3 365.481 3.047 20 30 FGEDHN N#Cc1cccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490206756 503131013 /nfs/dbraw/zinc/13/10/13/503131013.db2.gz XEHNBMQXEKYGTB-UHFFFAOYSA-N 0 3 364.405 3.460 20 30 FGEDHN CC[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N(CC)CC ZINC000506523772 503131192 /nfs/dbraw/zinc/13/11/92/503131192.db2.gz HKINNCYYXMFAIK-CABCVRRESA-N 0 3 352.276 3.250 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CCC(=O)CC1 ZINC000502398103 503192885 /nfs/dbraw/zinc/19/28/85/503192885.db2.gz BHHJUKFZSGYVCK-UHFFFAOYSA-N 0 3 362.543 3.344 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000510993300 503231567 /nfs/dbraw/zinc/23/15/67/503231567.db2.gz WEKTYRVINZBCMP-UHFFFAOYSA-N 0 3 370.497 3.057 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@@H]2CCCOC2)c1 ZINC000502617174 503239389 /nfs/dbraw/zinc/23/93/89/503239389.db2.gz PBUNIPXNGPMOBJ-CEXWTWQISA-N 0 3 357.498 3.343 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1 ZINC000491070413 503269062 /nfs/dbraw/zinc/26/90/62/503269062.db2.gz SWVUEHXPGAUHOI-KRWDZBQOSA-N 0 3 357.498 3.267 20 30 FGEDHN Cc1cc(C(=O)Nc2cccc(CN(C)C)c2)nn1-c1cccc(C#N)c1 ZINC000502782681 503270411 /nfs/dbraw/zinc/27/04/11/503270411.db2.gz TZZVZLHTSSRJFU-UHFFFAOYSA-N 0 3 359.433 3.366 20 30 FGEDHN C[C@@H]1C[C@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CCO1 ZINC000491205356 503286636 /nfs/dbraw/zinc/28/66/36/503286636.db2.gz NFKMUVQUDDMFGA-IAGOWNOFSA-N 0 3 350.466 3.044 20 30 FGEDHN C[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507443370 503300004 /nfs/dbraw/zinc/30/00/04/503300004.db2.gz MMOZABRSDGIIHM-MGPUTAFESA-N 0 3 351.425 3.414 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cc(C)nc2OC2CCC2)CC1 ZINC000515265949 503305043 /nfs/dbraw/zinc/30/50/43/503305043.db2.gz LNWYISPVKWRJKI-UHFFFAOYSA-N 0 3 357.498 3.400 20 30 FGEDHN Cc1cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000502947843 503312931 /nfs/dbraw/zinc/31/29/31/503312931.db2.gz HFXBNBVRMFPJBX-RDJZCZTQSA-N 0 3 365.481 3.045 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000515328290 503315420 /nfs/dbraw/zinc/31/54/20/503315420.db2.gz QVOSUGAZFLAJRE-RDTXWAMCSA-N 0 3 352.413 3.482 20 30 FGEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000499314959 503378013 /nfs/dbraw/zinc/37/80/13/503378013.db2.gz WBZIPCGEZCEXAF-WMZOPIPTSA-N 0 3 359.518 3.177 20 30 FGEDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000503515638 503425744 /nfs/dbraw/zinc/42/57/44/503425744.db2.gz GYCLYHDJLGQPDM-OWYVNGRQSA-N 0 3 357.788 3.289 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000512038113 503440629 /nfs/dbraw/zinc/44/06/29/503440629.db2.gz IKTDRUDKGGJUIM-WSTZPKSXSA-N 0 3 374.525 3.334 20 30 FGEDHN C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508470244 503500130 /nfs/dbraw/zinc/50/01/30/503500130.db2.gz BVZMEZZBMXQKBB-UHFFFAOYSA-N 0 3 368.529 3.393 20 30 FGEDHN CN1C(=O)C[C@H](NCCOc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000494205849 503502811 /nfs/dbraw/zinc/50/28/11/503502811.db2.gz SPHJOWJYZCQKAW-PXNSSMCTSA-N 0 3 369.852 3.152 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000504020294 503511320 /nfs/dbraw/zinc/51/13/20/503511320.db2.gz KWMNKVKPSXPGNQ-IRXDYDNUSA-N 0 3 357.498 3.123 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCC2(CC#N)CC2)N(C)C)cc1 ZINC000504140544 503529322 /nfs/dbraw/zinc/52/93/22/503529322.db2.gz LNIGLIWOIMCYEL-GOSISDBHSA-N 0 3 358.486 3.070 20 30 FGEDHN CN(C)C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000516803197 503590139 /nfs/dbraw/zinc/59/01/39/503590139.db2.gz LGALLLJJQIGPHL-IBGZPJMESA-N 0 3 351.425 3.414 20 30 FGEDHN C[C@H](NCCCN1c2ccccc2OCC1=O)c1ccc(C#N)cc1F ZINC000512661393 503606552 /nfs/dbraw/zinc/60/65/52/503606552.db2.gz RYIWBAZHYLNUKK-AWEZNQCLSA-N 0 3 353.397 3.164 20 30 FGEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546225900 503678429 /nfs/dbraw/zinc/67/84/29/503678429.db2.gz ZOLSNMGHCURRPL-OAQYLSRUSA-N 0 3 362.477 3.093 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC000536745801 503708455 /nfs/dbraw/zinc/70/84/55/503708455.db2.gz KPRLOXFYLDRHPA-QRVBRYPASA-N 0 3 351.535 3.188 20 30 FGEDHN C=CCN(CCOc1cccc(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529236 503764569 /nfs/dbraw/zinc/76/45/69/503764569.db2.gz OQSISTLXYXQBML-MRXNPFEDSA-N 0 3 367.428 3.429 20 30 FGEDHN CC(C)CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(C)C ZINC000533236300 503771675 /nfs/dbraw/zinc/77/16/75/503771675.db2.gz GPXGOAIWNMIIAV-UHFFFAOYSA-N 0 3 353.470 3.296 20 30 FGEDHN C=CCC[C@H](NCC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000540458996 503776900 /nfs/dbraw/zinc/77/69/00/503776900.db2.gz UAPRPVAIMKPGBD-PMACEKPBSA-N 0 3 350.462 3.403 20 30 FGEDHN C[C@@H]1CN(CCCNCc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000517629767 503790034 /nfs/dbraw/zinc/79/00/34/503790034.db2.gz BWRRCXARYFZYMZ-ZIAGYGMSSA-N 0 3 355.404 3.166 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C1)CC2 ZINC000517631146 503791268 /nfs/dbraw/zinc/79/12/68/503791268.db2.gz LXNGOGCUBBBVBY-ZHHKINOHSA-N 0 3 357.457 3.292 20 30 FGEDHN CN1CCN(CCCNCc2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000533312210 503803607 /nfs/dbraw/zinc/80/36/07/503803607.db2.gz DGUHWIVNXDNZDQ-QFIPXVFZSA-N 0 3 366.484 3.166 20 30 FGEDHN CCN(CCC#N)C(=O)CN[C@@H](COc1c(C)cccc1C)C(C)(C)C ZINC000540524396 503805497 /nfs/dbraw/zinc/80/54/97/503805497.db2.gz GCKHTDSIUANZJN-SFHVURJKSA-N 0 3 359.514 3.449 20 30 FGEDHN CC(C)OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000533338660 503811076 /nfs/dbraw/zinc/81/10/76/503811076.db2.gz HRYDRAJTRQSHQC-UHFFFAOYSA-N 0 3 361.511 3.326 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H]3COCC[C@@H]32)sc2c1CCCC2 ZINC000533346145 503813587 /nfs/dbraw/zinc/81/35/87/503813587.db2.gz MTLDLTPENQOMFK-PBHICJAKSA-N 0 3 373.522 3.328 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCc2c[nH]c3ccccc23)cc1 ZINC000517732346 503819668 /nfs/dbraw/zinc/81/96/68/503819668.db2.gz CFJCNKLZEWFDLS-UHFFFAOYSA-N 0 3 367.474 3.036 20 30 FGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000533445471 503848882 /nfs/dbraw/zinc/84/88/82/503848882.db2.gz RAZBVIRLLGODAJ-JLMIFGBASA-N 0 3 361.530 3.198 20 30 FGEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000533483856 503861925 /nfs/dbraw/zinc/86/19/25/503861925.db2.gz RMIWDEBERNFYCQ-INIZCTEOSA-N 0 3 371.481 3.331 20 30 FGEDHN C[C@@H](NCCNc1ccc(-c2ccccc2)nn1)c1ccc(C#N)c(F)c1 ZINC000540707472 503862765 /nfs/dbraw/zinc/86/27/65/503862765.db2.gz CPCCMBNFMDNWRX-OAHLLOKOSA-N 0 3 361.424 3.339 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCC2CCc3ccccc3CC2)c1 ZINC000530236294 503885886 /nfs/dbraw/zinc/88/58/86/503885886.db2.gz QWXDDGOIFTVJOO-UHFFFAOYSA-N 0 3 368.502 3.117 20 30 FGEDHN C=CCOc1ccccc1CNC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000518248603 503935965 /nfs/dbraw/zinc/93/59/65/503935965.db2.gz SILIVHYNNFJTMK-LJQANCHMSA-N 0 3 371.550 3.391 20 30 FGEDHN C=CCOc1ccc(CNCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000518276732 503942248 /nfs/dbraw/zinc/94/22/48/503942248.db2.gz LXORQNMDYYJSHQ-UHFFFAOYSA-N 0 3 366.461 3.014 20 30 FGEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000533762032 503944129 /nfs/dbraw/zinc/94/41/29/503944129.db2.gz SJJUUZJLTIDZLN-GOSISDBHSA-N 0 3 352.482 3.010 20 30 FGEDHN C=CCc1cc(CN[C@@]2(COC)COc3ccccc3C2)cc(OC)c1O ZINC000527801750 503950813 /nfs/dbraw/zinc/95/08/13/503950813.db2.gz WMMWQXWDOJZAMY-QFIPXVFZSA-N 0 3 369.461 3.239 20 30 FGEDHN C=CCOc1ccc(CNC[C@H]2c3ccccc3C(=O)N2C)cc1OC ZINC000527811471 503956196 /nfs/dbraw/zinc/95/61/96/503956196.db2.gz ZXLUGRXTWDAHRC-SFHVURJKSA-N 0 3 352.434 3.177 20 30 FGEDHN COc1ccc(C[C@@H](C)CN2CCN(c3cc(C#N)ccn3)CC2)cc1F ZINC000547016243 503957022 /nfs/dbraw/zinc/95/70/22/503957022.db2.gz LDJPFOUAGPDJKO-MRXNPFEDSA-N 0 3 368.456 3.102 20 30 FGEDHN COCCOc1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527813660 503957169 /nfs/dbraw/zinc/95/71/69/503957169.db2.gz ZGPJIGLBCWBOIG-UHFFFAOYSA-N 0 3 366.461 3.379 20 30 FGEDHN COC(=O)COc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000544008746 503970086 /nfs/dbraw/zinc/97/00/86/503970086.db2.gz OTVPRMQCJDJCKP-UHFFFAOYSA-N 0 3 362.429 3.399 20 30 FGEDHN N#Cc1cccc(OCCCCC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000518388341 503971125 /nfs/dbraw/zinc/97/11/25/503971125.db2.gz WSPWIYXNEULNOG-UHFFFAOYSA-N 0 3 355.482 3.194 20 30 FGEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000530525270 503997366 /nfs/dbraw/zinc/99/73/66/503997366.db2.gz OGBHJWFBOQDRFK-RBUKOAKNSA-N 0 3 366.427 3.290 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000541112406 504011801 /nfs/dbraw/zinc/01/18/01/504011801.db2.gz QXXOBMUEXUYYRB-GOSISDBHSA-N 0 3 365.562 3.160 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528032839 504047012 /nfs/dbraw/zinc/04/70/12/504047012.db2.gz LQQHEXDUDVLEGW-SFHVURJKSA-N 0 3 357.498 3.042 20 30 FGEDHN CCN(C(=O)Cc1ccc(C#N)nc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000528126287 504083163 /nfs/dbraw/zinc/08/31/63/504083163.db2.gz GNTGXJDGHLWMQM-LAUBAEHRSA-N 0 3 362.477 3.180 20 30 FGEDHN CC(C)(C#N)c1ccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000530811580 504093658 /nfs/dbraw/zinc/09/36/58/504093658.db2.gz WYLKSWMVTLKYCY-QFIPXVFZSA-N 0 3 363.461 3.063 20 30 FGEDHN C=CCCC[C@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000538094785 504131558 /nfs/dbraw/zinc/13/15/58/504131558.db2.gz MPPGICRLQZOANH-INIZCTEOSA-N 0 3 354.491 3.267 20 30 FGEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000538257497 504179268 /nfs/dbraw/zinc/17/92/68/504179268.db2.gz DWWZBEKUCTZZNA-MJGOQNOKSA-N 0 3 365.477 3.429 20 30 FGEDHN COc1cccc(C[C@@H]2CCCN2C[C@@H](O)COc2ccccc2C#N)c1 ZINC000528351023 504181749 /nfs/dbraw/zinc/18/17/49/504181749.db2.gz GOJMMQSXUDPSJW-VQTJNVASSA-N 0 3 366.461 3.014 20 30 FGEDHN COc1ccc(CNc2cccc(CN3CCC(O)CC3)c2)cc1C#N ZINC000531111154 504193509 /nfs/dbraw/zinc/19/35/09/504193509.db2.gz VYIPWNTVUIYEPM-UHFFFAOYSA-N 0 3 351.450 3.136 20 30 FGEDHN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000538386952 504229126 /nfs/dbraw/zinc/22/91/26/504229126.db2.gz GKKZNVRCQOKKAO-AVRWGWEMSA-N 0 3 354.475 3.155 20 30 FGEDHN COC(=O)c1coc(CNC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000541756790 504243956 /nfs/dbraw/zinc/24/39/56/504243956.db2.gz ZXNBAIBGXOPVNI-UHFFFAOYSA-N 0 3 354.406 3.418 20 30 FGEDHN C[C@@H](NCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538502002 504265826 /nfs/dbraw/zinc/26/58/26/504265826.db2.gz QVAMLLIKXGTCRF-GOSISDBHSA-N 0 3 366.484 3.166 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)s1 ZINC000531390919 504290913 /nfs/dbraw/zinc/29/09/13/504290913.db2.gz LGDBAQXAOQXQKJ-MRXNPFEDSA-N 0 3 354.479 3.141 20 30 FGEDHN C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528712900 504345045 /nfs/dbraw/zinc/34/50/45/504345045.db2.gz GDWDDOZAACFDRN-UHFFFAOYSA-N 0 3 351.450 3.431 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000545294664 504432631 /nfs/dbraw/zinc/43/26/31/504432631.db2.gz OCLCUWDMAOYHIS-UHFFFAOYSA-N 0 3 364.449 3.137 20 30 FGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000528921823 504450763 /nfs/dbraw/zinc/45/07/63/504450763.db2.gz WCHISPYCNBUVBO-CWLKWCNXSA-N 0 3 356.853 3.383 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528922438 504451452 /nfs/dbraw/zinc/45/14/52/504451452.db2.gz YSODIBONKAAZOW-KGLIPLIRSA-N 0 3 358.438 3.326 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NCC#Cc2ccccc2)N2CCCC2)cc1 ZINC000520299520 504459560 /nfs/dbraw/zinc/45/95/60/504459560.db2.gz DBTGAKZXHAHPSZ-QFIPXVFZSA-N 0 3 361.489 3.483 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1[C@H]1CCOC1 ZINC000528999683 504489447 /nfs/dbraw/zinc/48/94/47/504489447.db2.gz NSLUAJIBNKENRS-DOTOQJQBSA-N 0 3 360.417 3.500 20 30 FGEDHN C[C@](C#N)(NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21)C1CC1 ZINC000548603608 504492304 /nfs/dbraw/zinc/49/23/04/504492304.db2.gz ZCAHJBDAZSKPKD-XWSHUIEDSA-N 0 3 351.494 3.453 20 30 FGEDHN N#CC(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nnc2n1CCCCC2 ZINC000535755437 504532290 /nfs/dbraw/zinc/53/22/90/504532290.db2.gz BRLRAZXKHZRQST-QZTJIDSGSA-N 0 3 364.449 3.389 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)OCC ZINC000535910070 504580781 /nfs/dbraw/zinc/58/07/81/504580781.db2.gz KSCSJCMNPJSSMO-UXHICEINSA-N 0 3 360.498 3.320 20 30 FGEDHN COCc1ccc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1C#N ZINC000529207589 504583208 /nfs/dbraw/zinc/58/32/08/504583208.db2.gz VDSZJERXCOZWBH-HNNXBMFYSA-N 0 3 356.470 3.043 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000521058282 504639051 /nfs/dbraw/zinc/63/90/51/504639051.db2.gz GAAIMCSVTSHJPT-KDOFPFPSSA-N 0 3 352.413 3.482 20 30 FGEDHN COc1ccc2c(c1)CCCN(CCC(=O)Nc1sccc1C#N)C2 ZINC000532537398 504685425 /nfs/dbraw/zinc/68/54/25/504685425.db2.gz IFGSPJNVLLAHJL-UHFFFAOYSA-N 0 3 355.463 3.405 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000539790390 504688072 /nfs/dbraw/zinc/68/80/72/504688072.db2.gz SEJQFFJTYBEQJH-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc(OC)c1O ZINC000529675190 504758334 /nfs/dbraw/zinc/75/83/34/504758334.db2.gz LQSPXBAKNRODEJ-UHFFFAOYSA-N 0 3 368.433 3.077 20 30 FGEDHN C=CCOCCN[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000559247819 504807805 /nfs/dbraw/zinc/80/78/05/504807805.db2.gz JDUCWXFDRJVLNV-GHTZIAJQSA-N 0 3 357.425 3.369 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)C(CC)CC)CC1 ZINC000556197515 504817873 /nfs/dbraw/zinc/81/78/73/504817873.db2.gz IWSWJBMBQOGQIC-FQEVSTJZSA-N 0 3 371.525 3.047 20 30 FGEDHN N#Cc1ccnc(Nc2ccc(CCN3CCSCC3)cc2)c1Cl ZINC000553329052 504885316 /nfs/dbraw/zinc/88/53/16/504885316.db2.gz SSJSMNMOBKTNJL-UHFFFAOYSA-N 0 3 358.898 3.363 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000553478796 504926212 /nfs/dbraw/zinc/92/62/12/504926212.db2.gz UEOATGCZFOOPBQ-LTCOOKNTSA-N 0 3 361.461 3.110 20 30 FGEDHN CCCN(C)[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553580935 504955018 /nfs/dbraw/zinc/95/50/18/504955018.db2.gz WNTGLCYFYBJNNX-MRXNPFEDSA-N 0 3 373.844 3.432 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C#N)s2)C1 ZINC000562931822 504991184 /nfs/dbraw/zinc/99/11/84/504991184.db2.gz SWXDDFMMNPEKRY-ZBFHGGJFSA-N 0 3 354.479 3.254 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C#N)s2)C1 ZINC000562931820 504991626 /nfs/dbraw/zinc/99/16/26/504991626.db2.gz SWXDDFMMNPEKRY-GOEBONIOSA-N 0 3 354.479 3.254 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cnn(CC(F)(F)F)c3)CC2)cc1 ZINC000556860478 504997994 /nfs/dbraw/zinc/99/79/94/504997994.db2.gz HDVOAWWIZXCPKT-UHFFFAOYSA-N 0 3 363.387 3.076 20 30 FGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000553865526 505028996 /nfs/dbraw/zinc/02/89/96/505028996.db2.gz PHOMSQCQRLYSMU-FQEVSTJZSA-N 0 3 358.869 3.264 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cnccc2C#N)N(C)C)cc1 ZINC000554081873 505083488 /nfs/dbraw/zinc/08/34/88/505083488.db2.gz PHOSSIFEXKHCDZ-HXUWFJFHSA-N 0 3 350.466 3.184 20 30 FGEDHN COC(=O)CC1(NCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000563255606 505088994 /nfs/dbraw/zinc/08/89/94/505088994.db2.gz MQWOTBOWSPCLRG-UHFFFAOYSA-N 0 3 350.418 3.323 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000560509833 505108989 /nfs/dbraw/zinc/10/89/89/505108989.db2.gz JVXVAWKXVCDTEJ-KRWDZBQOSA-N 0 3 364.367 3.301 20 30 FGEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000550830873 505110656 /nfs/dbraw/zinc/11/06/56/505110656.db2.gz JPZAXMKAVLLUON-HNAYVOBHSA-N 0 3 357.479 3.420 20 30 FGEDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000566219984 505115428 /nfs/dbraw/zinc/11/54/28/505115428.db2.gz HFKZLGGCUUTRFF-OAHLLOKOSA-N 0 3 365.433 3.046 20 30 FGEDHN CCOC(=O)CC(C)(C)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000554210518 505116720 /nfs/dbraw/zinc/11/67/20/505116720.db2.gz BFZDEWZJZGYYQI-UHFFFAOYSA-N 0 3 357.498 3.045 20 30 FGEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000560540360 505119881 /nfs/dbraw/zinc/11/98/81/505119881.db2.gz QXOHRMNZANXDKH-CEWLAPEOSA-N 0 3 363.461 3.438 20 30 FGEDHN N#Cc1cnn2cc(CNC[C@@H](Cc3ccccc3)C(F)(F)F)cnc12 ZINC000566243039 505121374 /nfs/dbraw/zinc/12/13/74/505121374.db2.gz RIXYZWUYMCCOQA-MRXNPFEDSA-N 0 3 359.355 3.112 20 30 FGEDHN N#Cc1cc(F)cc(C2(C(=O)N3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000560579350 505132492 /nfs/dbraw/zinc/13/24/92/505132492.db2.gz HTVPNOPCXIQASU-UHFFFAOYSA-N 0 3 355.457 3.206 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(C#N)cc1OC)c1ccco1 ZINC000554299461 505138887 /nfs/dbraw/zinc/13/88/87/505138887.db2.gz WQHLBEIMLXYFRD-BBRMVZONSA-N 0 3 356.426 3.411 20 30 FGEDHN C=CCn1c(C2CC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000566326876 505144614 /nfs/dbraw/zinc/14/46/14/505144614.db2.gz IJQXBXOOUWHANF-QGZVFWFLSA-N 0 3 351.498 3.442 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2c[nH]nc2C)CC1)C(C)C ZINC000554497640 505188763 /nfs/dbraw/zinc/18/87/63/505188763.db2.gz FSJFGTJQMABGNH-FQEVSTJZSA-N 0 3 373.545 3.306 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000557653798 505194679 /nfs/dbraw/zinc/19/46/79/505194679.db2.gz VMBSNTPYXYKNEO-CMKODMSKSA-N 0 3 371.525 3.017 20 30 FGEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000557789191 505231944 /nfs/dbraw/zinc/23/19/44/505231944.db2.gz UNHXZKSPSKXTBI-ZWKOTPCHSA-N 0 3 371.525 3.189 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C(=O)OC)cc1Br ZINC000551583734 505260879 /nfs/dbraw/zinc/26/08/79/505260879.db2.gz RSKWDVXPMMEUIM-GOEBONIOSA-N 0 3 368.271 3.307 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc(C#N)cn2C)N(C)C)cc1 ZINC000557983057 505277975 /nfs/dbraw/zinc/27/79/75/505277975.db2.gz ANLKWJAHAHQGEB-HXUWFJFHSA-N 0 3 352.482 3.128 20 30 FGEDHN CCN1CCN(c2cccc(Nc3ccc(C#N)c([N+](=O)[O-])c3)c2)CC1 ZINC000555135912 505360399 /nfs/dbraw/zinc/36/03/99/505360399.db2.gz QLKVYQBRDFGKFB-UHFFFAOYSA-N 0 3 351.410 3.352 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(C2CCCC2)CC1 ZINC000555238317 505387882 /nfs/dbraw/zinc/38/78/82/505387882.db2.gz MIWOWFFZESONGA-UHFFFAOYSA-N 0 3 369.513 3.297 20 30 FGEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccc(Br)c(C)c2)C1=O ZINC000558476139 505402710 /nfs/dbraw/zinc/40/27/10/505402710.db2.gz PIRHTKUYBIBQBE-OAHLLOKOSA-N 0 3 351.288 3.369 20 30 FGEDHN CC(C)[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000564442177 505420842 /nfs/dbraw/zinc/42/08/42/505420842.db2.gz BLVQLMHHPKWTFV-SJORKVTESA-N 0 3 357.420 3.198 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000552214846 505431204 /nfs/dbraw/zinc/43/12/04/505431204.db2.gz OQEYJSPBJXIRIY-PXNSSMCTSA-N 0 3 370.424 3.135 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1N1CCOCC1 ZINC000555585430 505464043 /nfs/dbraw/zinc/46/40/43/505464043.db2.gz FSUHAHDEFJWIQP-KXBFYZLASA-N 0 3 350.890 3.247 20 30 FGEDHN C[C@H](OCCCNCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000558718058 505472933 /nfs/dbraw/zinc/47/29/33/505472933.db2.gz GVURUJKTWMBZGI-KRWDZBQOSA-N 0 3 372.490 3.089 20 30 FGEDHN C=CCNC(=O)CN[C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564741498 505508146 /nfs/dbraw/zinc/50/81/46/505508146.db2.gz PZPHZUONLRYVJA-AEFFLSMTSA-N 0 3 367.896 3.285 20 30 FGEDHN CN(Cc1ccccn1)[C@@H]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000564877083 505547196 /nfs/dbraw/zinc/54/71/96/505547196.db2.gz PPFGQPPVNKNWDA-LJQANCHMSA-N 0 3 361.493 3.328 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000558998567 505548535 /nfs/dbraw/zinc/54/85/35/505548535.db2.gz SGOBULXTLOIBGQ-GOSISDBHSA-N 0 3 357.502 3.009 20 30 FGEDHN N#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000564891143 505551035 /nfs/dbraw/zinc/55/10/35/505551035.db2.gz GAAZRBHHPJIMMP-MRXNPFEDSA-N 0 3 367.371 3.140 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)OC)sc2C)CC1 ZINC000603033326 506389702 /nfs/dbraw/zinc/38/97/02/506389702.db2.gz QMTNJVZZNIOPCA-UHFFFAOYSA-N 0 3 351.472 3.005 20 30 FGEDHN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)CC2(C#N)CCOCC2)s1 ZINC000599299225 506402868 /nfs/dbraw/zinc/40/28/68/506402868.db2.gz IGYSIGUSFPKNCR-CABCVRRESA-N 0 3 351.516 3.078 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CC[C@]3(CC3(F)F)C2)sc2c1CCC2 ZINC000593116843 506403391 /nfs/dbraw/zinc/40/33/91/506403391.db2.gz JCNVOFQYXZUNPK-INIZCTEOSA-N 0 3 351.422 3.168 20 30 FGEDHN N#Cc1c(NCC2CCN(Cc3ccncc3)CC2)cccc1-n1cccn1 ZINC000596436318 506404002 /nfs/dbraw/zinc/40/40/02/506404002.db2.gz LGSZRIUOBJRLCR-UHFFFAOYSA-N 0 3 372.476 3.463 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N3CCC[C@H](CC#N)C3)c(C)c2)CC1 ZINC000596447729 506408875 /nfs/dbraw/zinc/40/88/75/506408875.db2.gz QZFRURCWTIOFQN-GOSISDBHSA-N 0 3 369.513 3.295 20 30 FGEDHN N#CC1(C[C@@H](O)CN2CCC(=Cc3ccccc3F)CC2)CCOCC1 ZINC000599315151 506409071 /nfs/dbraw/zinc/40/90/71/506409071.db2.gz JYLFBWIOLWBLGM-LJQANCHMSA-N 0 3 358.457 3.376 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C(F)F)CCCC2)cc1 ZINC000589007364 506410305 /nfs/dbraw/zinc/41/03/05/506410305.db2.gz OQGOMBTXVMNJSY-NSHDSACASA-N 0 3 371.409 3.072 20 30 FGEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000599347674 506420628 /nfs/dbraw/zinc/42/06/28/506420628.db2.gz HUVTVKATJHYGIY-BBRMVZONSA-N 0 3 362.376 3.250 20 30 FGEDHN C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000599345647 506421349 /nfs/dbraw/zinc/42/13/49/506421349.db2.gz TUKVBSSOXXMPHS-XJKSGUPXSA-N 0 3 356.388 3.427 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@](C)(C#N)C2)CCN1Cc1ccccc1 ZINC000612135350 506455544 /nfs/dbraw/zinc/45/55/44/506455544.db2.gz FIIBMAMPKMDYSJ-SLYNCCJLSA-N 0 3 354.498 3.375 20 30 FGEDHN COc1ccc(Cl)cc1C(C)(C)NC[C@@H](O)COc1ccccc1C#N ZINC000599440551 506457540 /nfs/dbraw/zinc/45/75/40/506457540.db2.gz VGJOHORFTLKOEF-MRXNPFEDSA-N 0 3 374.868 3.485 20 30 FGEDHN N#Cc1ccc(Br)c(Cn2cc(CNC3CCCCC3)nn2)c1 ZINC000603240894 506463501 /nfs/dbraw/zinc/46/35/01/506463501.db2.gz HBTJLNWAXIJYDM-UHFFFAOYSA-N 0 3 374.286 3.383 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000589194542 506476768 /nfs/dbraw/zinc/47/67/68/506476768.db2.gz NKLCUGGRNAHOJH-UHFFFAOYSA-N 0 3 356.401 3.169 20 30 FGEDHN C[C@@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)Oc1cccc(Cl)c1 ZINC000582900592 506479970 /nfs/dbraw/zinc/47/99/70/506479970.db2.gz QTDOWASSAFHQNS-MAUKXSAKSA-N 0 3 374.868 3.203 20 30 FGEDHN CC1(C)Cc2n[nH]cc2CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000596598139 506482803 /nfs/dbraw/zinc/48/28/03/506482803.db2.gz CEIMWICXWSSVBO-UHFFFAOYSA-N 0 3 371.872 3.348 20 30 FGEDHN CN(CCCCN1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000603417673 506507791 /nfs/dbraw/zinc/50/77/91/506507791.db2.gz PEAVQDSAYTZKDM-UHFFFAOYSA-N 0 3 369.918 3.098 20 30 FGEDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000593281160 506510041 /nfs/dbraw/zinc/51/00/41/506510041.db2.gz OSENQPJYWIUJQJ-UHFFFAOYSA-N 0 3 363.527 3.031 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)C(C)C ZINC000593306063 506528771 /nfs/dbraw/zinc/52/87/71/506528771.db2.gz WJDLBZDCCZWBEB-HXUWFJFHSA-N 0 3 352.482 3.282 20 30 FGEDHN CN(C)C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000599626400 506536597 /nfs/dbraw/zinc/53/65/97/506536597.db2.gz FROJWUROSBCZGA-BBRMVZONSA-N 0 3 356.297 3.240 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1cccs1 ZINC000612373733 506548752 /nfs/dbraw/zinc/54/87/52/506548752.db2.gz ZPMGFKVIQKKBKF-SUMDDJOVSA-N 0 3 360.527 3.466 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000599657746 506557868 /nfs/dbraw/zinc/55/78/68/506557868.db2.gz LLZLMMUQLMFOFD-DYESRHJHSA-N 0 3 358.530 3.013 20 30 FGEDHN N#Cc1ccc(CN2CCC(CN3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000589495005 506569240 /nfs/dbraw/zinc/56/92/40/506569240.db2.gz MQPDDKHKWMMZCL-UHFFFAOYSA-N 0 3 367.415 3.121 20 30 FGEDHN CCN1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000603692827 506597352 /nfs/dbraw/zinc/59/73/52/506597352.db2.gz OKQRXMUECUWJAH-UHFFFAOYSA-N 0 3 365.437 3.351 20 30 FGEDHN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000589634263 506613557 /nfs/dbraw/zinc/61/35/57/506613557.db2.gz CNCOYYHTFCNWPS-QFBILLFUSA-N 0 3 368.477 3.268 20 30 FGEDHN CN(C)C1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCCCC1 ZINC000603957406 506671553 /nfs/dbraw/zinc/67/15/53/506671553.db2.gz APBUUFIBBIPZCS-UHFFFAOYSA-N 0 3 369.918 3.145 20 30 FGEDHN CC[C@H](C#N)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593542210 506677956 /nfs/dbraw/zinc/67/79/56/506677956.db2.gz WBPLSTCAFGNKFN-QZTJIDSGSA-N 0 3 351.454 3.127 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC(CC#N)C2)CC1 ZINC000596929835 506683320 /nfs/dbraw/zinc/68/33/20/506683320.db2.gz ZMKRTGNGVTXQQH-UHFFFAOYSA-N 0 3 362.861 3.190 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccnc2C(=O)OC(C)(C)C)CC1 ZINC000596984688 506711832 /nfs/dbraw/zinc/71/18/32/506711832.db2.gz DWONBFRPRBEGTK-UHFFFAOYSA-N 0 3 374.485 3.199 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000590118866 506740990 /nfs/dbraw/zinc/74/09/90/506740990.db2.gz SKUJEQLGPCIUQI-NHCUHLMSSA-N 0 3 350.462 3.372 20 30 FGEDHN CN(Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000600178659 506824665 /nfs/dbraw/zinc/82/46/65/506824665.db2.gz OFBCRXRJGXURAJ-HXUWFJFHSA-N 0 3 363.461 3.190 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC1(c2noc(C(F)F)n2)CCC1 ZINC000590441176 506824864 /nfs/dbraw/zinc/82/48/64/506824864.db2.gz VGVCVMSLLVLQOP-CYBMUJFWSA-N 0 3 360.364 3.275 20 30 FGEDHN N#Cc1ccccc1OCCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000604416013 506825610 /nfs/dbraw/zinc/82/56/10/506825610.db2.gz UCCRZDGUIJUDEM-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(F)(c3ccccc3F)C2)cc1 ZINC000590445930 506826423 /nfs/dbraw/zinc/82/64/23/506826423.db2.gz WNFKYQXNAFYFNM-MRXNPFEDSA-N 0 3 351.356 3.087 20 30 FGEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000583568023 506854439 /nfs/dbraw/zinc/85/44/39/506854439.db2.gz UJOHJVWJUFVVAW-MJGOQNOKSA-N 0 3 372.375 3.280 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1F ZINC000597245601 506857843 /nfs/dbraw/zinc/85/78/43/506857843.db2.gz JZHZOSSFONKGNA-MRXNPFEDSA-N 0 3 355.388 3.231 20 30 FGEDHN CCC(C)(C)N1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000594020263 506887016 /nfs/dbraw/zinc/88/70/16/506887016.db2.gz FNZDVAXLJGTYOF-UHFFFAOYSA-N 0 3 351.498 3.265 20 30 FGEDHN N#Cc1nccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000583723544 506936106 /nfs/dbraw/zinc/93/61/06/506936106.db2.gz WJTUSSOFMNLMOU-UHFFFAOYSA-N 0 3 361.371 3.079 20 30 FGEDHN CC[C@H](C#N)N(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000594093724 506936166 /nfs/dbraw/zinc/93/61/66/506936166.db2.gz FALWRQGHRRPGLQ-NVXWUHKLSA-N 0 3 353.388 3.202 20 30 FGEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)C[C@@H]1C ZINC000597422748 506944267 /nfs/dbraw/zinc/94/42/67/506944267.db2.gz QEZZUGGYKNOCEH-JKSUJKDBSA-N 0 3 364.497 3.146 20 30 FGEDHN CN(C(=O)Nc1cccc(C#N)n1)c1ccc(OCCN2CCCC2)cc1 ZINC000594130855 506962522 /nfs/dbraw/zinc/96/25/22/506962522.db2.gz LHVDTFDHRJHWIB-UHFFFAOYSA-N 0 3 365.437 3.096 20 30 FGEDHN N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCN(C4CC4)C3)c2)c1 ZINC000609660723 506964852 /nfs/dbraw/zinc/96/48/52/506964852.db2.gz OWDOMQJCWRTADS-IBGZPJMESA-N 0 3 361.445 3.104 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594248063 507041211 /nfs/dbraw/zinc/04/12/11/507041211.db2.gz JKSAGBGBKXVZEW-UFYCRDLUSA-N 0 3 352.482 3.252 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000597655088 507047747 /nfs/dbraw/zinc/04/77/47/507047747.db2.gz ZJXACBQLPZTIBF-DJJJIMSYSA-N 0 3 355.388 3.229 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000597655090 507047846 /nfs/dbraw/zinc/04/78/46/507047846.db2.gz ZJXACBQLPZTIBF-YJYMSZOUSA-N 0 3 355.388 3.229 20 30 FGEDHN CC[C@H](CNC[C@H](O)COc1ccccc1C#N)Oc1cccc(C)c1 ZINC000600725455 507084404 /nfs/dbraw/zinc/08/44/04/507084404.db2.gz CAFLMZLIYNAWKQ-RBUKOAKNSA-N 0 3 354.450 3.054 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC[C@H](O)COc1ccccc1C#N ZINC000600727507 507085736 /nfs/dbraw/zinc/08/57/36/507085736.db2.gz WTARSVVMFTZYRJ-WNYOCNMUSA-N 0 3 374.868 3.317 20 30 FGEDHN CCN1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000610133196 507111660 /nfs/dbraw/zinc/11/16/60/507111660.db2.gz LUOPDUAOOCLFSH-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000594428980 507127349 /nfs/dbraw/zinc/12/73/49/507127349.db2.gz PYEMYPMPNCQOCY-OAHLLOKOSA-N 0 3 364.421 3.362 20 30 FGEDHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H](N)CCCCC#N ZINC000594430939 507129021 /nfs/dbraw/zinc/12/90/21/507129021.db2.gz DKYBUYHOKMQRNC-LJQANCHMSA-N 0 3 367.497 3.167 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000594435024 507131267 /nfs/dbraw/zinc/13/12/67/507131267.db2.gz YWQMOYREBNVLNZ-VQTJNVASSA-N 0 3 351.450 3.334 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000594432746 507131819 /nfs/dbraw/zinc/13/18/19/507131819.db2.gz BBFMJQFEZDONLF-HNNXBMFYSA-N 0 3 363.824 3.074 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000594441046 507135269 /nfs/dbraw/zinc/13/52/69/507135269.db2.gz LPHFZICEHICWDF-GOSISDBHSA-N 0 3 351.454 3.236 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000594441221 507135353 /nfs/dbraw/zinc/13/53/53/507135353.db2.gz OYXMBOOJLGRSTI-PXNSSMCTSA-N 0 3 361.449 3.180 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000594441221 507135361 /nfs/dbraw/zinc/13/53/61/507135361.db2.gz OYXMBOOJLGRSTI-PXNSSMCTSA-N 0 3 361.449 3.180 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)[C@@H](N)CCCCC#N)c2cccs2)CC1 ZINC000594446840 507136531 /nfs/dbraw/zinc/13/65/31/507136531.db2.gz XSTMSLHMEVTCHO-IRXDYDNUSA-N 0 3 362.543 3.049 20 30 FGEDHN CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H](N)CCCCC#N ZINC000594446039 507137416 /nfs/dbraw/zinc/13/74/16/507137416.db2.gz OYJMMPNZCKMDSS-ZBFHGGJFSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000594446097 507137737 /nfs/dbraw/zinc/13/77/37/507137737.db2.gz PKELFCYQMAXOEM-BBRMVZONSA-N 0 3 370.280 3.384 20 30 FGEDHN C[C@H]1CN(c2ccc(CNCc3ccc(C(C)(C)C#N)cc3)cn2)CCO1 ZINC000594494888 507154064 /nfs/dbraw/zinc/15/40/64/507154064.db2.gz KFJRLYOPJAQVTR-KRWDZBQOSA-N 0 3 364.493 3.398 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1C#N ZINC000597922550 507176701 /nfs/dbraw/zinc/17/67/01/507176701.db2.gz FZKUWWZYAITWEB-CYBMUJFWSA-N 0 3 358.511 3.155 20 30 FGEDHN CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCN(CC)C1 ZINC000598040138 507229549 /nfs/dbraw/zinc/22/95/49/507229549.db2.gz CZEDPHTWDZUBKQ-QGZVFWFLSA-N 0 3 367.449 3.287 20 30 FGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433403 507237677 /nfs/dbraw/zinc/23/76/77/507237677.db2.gz IJOKYHZJNVVGJK-FXAWDEMLSA-N 0 3 362.477 3.092 20 30 FGEDHN N#CC1(CC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000598063651 507239022 /nfs/dbraw/zinc/23/90/22/507239022.db2.gz DKNFUWMSKIVQAB-UHFFFAOYSA-N 0 3 354.498 3.274 20 30 FGEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000598064517 507239419 /nfs/dbraw/zinc/23/94/19/507239419.db2.gz PQHMRYBVDBXNIN-FCHUYYIVSA-N 0 3 374.488 3.085 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000598195674 507307240 /nfs/dbraw/zinc/30/72/40/507307240.db2.gz QTLANQBDFYNVTG-QGZVFWFLSA-N 0 3 369.415 3.225 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccnc(N3CCSCC3)c1)CC2 ZINC000601302654 507328919 /nfs/dbraw/zinc/32/89/19/507328919.db2.gz URGATABCKVBUNO-LJQANCHMSA-N 0 3 350.491 3.284 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000584406163 507329013 /nfs/dbraw/zinc/32/90/13/507329013.db2.gz SSYCTLXBHCEYCK-MJGOQNOKSA-N 0 3 372.465 3.397 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cccnc3N3CCCC3)CC2)cc1 ZINC000594956533 507330752 /nfs/dbraw/zinc/33/07/52/507330752.db2.gz JSVFQIIQPAUEOD-UHFFFAOYSA-N 0 3 361.493 3.312 20 30 FGEDHN CCC[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000591733578 507342615 /nfs/dbraw/zinc/34/26/15/507342615.db2.gz KPQROLOWKWSGAZ-IBGZPJMESA-N 0 3 356.491 3.333 20 30 FGEDHN C[C@@H](NC[C@H]1CN(C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104667 507394441 /nfs/dbraw/zinc/39/44/41/507394441.db2.gz AXGCVLQNPDIHFI-UTKZUKDTSA-N 0 3 366.484 3.164 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1OC ZINC000584547552 507404544 /nfs/dbraw/zinc/40/45/44/507404544.db2.gz HHBSCUKKFODJRU-SOLBZPMBSA-N 0 3 358.482 3.062 20 30 FGEDHN N#Cc1cnc2c(Cl)cccc2c1NC1CCN([C@H]2CCOC2)CC1 ZINC000591924103 507411861 /nfs/dbraw/zinc/41/18/61/507411861.db2.gz IZTPKYGAHQJHDF-HNNXBMFYSA-N 0 3 356.857 3.425 20 30 FGEDHN N#Cc1ccc(CCN2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000595359838 507471291 /nfs/dbraw/zinc/47/12/91/507471291.db2.gz UVINBGPHEJUOBM-UHFFFAOYSA-N 0 3 354.498 3.197 20 30 FGEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000598536779 507475571 /nfs/dbraw/zinc/47/55/71/507475571.db2.gz WRWGPQMNTSESJP-UXHICEINSA-N 0 3 369.509 3.176 20 30 FGEDHN CCN(CC)[C@H](CNC(=O)N1CC[C@](C)(C#N)C1)c1cccc(OC)c1 ZINC000595438207 507497985 /nfs/dbraw/zinc/49/79/85/507497985.db2.gz CVENPAUWBACMGE-UYAOXDASSA-N 0 3 358.486 3.023 20 30 FGEDHN C[C@H](O)[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000584783444 507503084 /nfs/dbraw/zinc/50/30/84/507503084.db2.gz FWKBJVWLNGDUAT-BTYIYWSLSA-N 0 3 353.441 3.378 20 30 FGEDHN N#CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000595475551 507519395 /nfs/dbraw/zinc/51/93/95/507519395.db2.gz KJYPAXITRBZXET-UXHICEINSA-N 0 3 354.498 3.234 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NCCc2ccc(C#N)cc2)N(C)C)cc1 ZINC000595493191 507528433 /nfs/dbraw/zinc/52/84/33/507528433.db2.gz DOZIGEUIJPFZCV-FQEVSTJZSA-N 0 3 350.466 3.011 20 30 FGEDHN N#CCCN1CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000611175210 507547647 /nfs/dbraw/zinc/54/76/47/507547647.db2.gz VJQLMBFNDAMHTL-UHFFFAOYSA-N 0 3 355.404 3.396 20 30 FGEDHN CCN1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)C1 ZINC000595535699 507548529 /nfs/dbraw/zinc/54/85/29/507548529.db2.gz JGCBCDICSKPCSE-IAGOWNOFSA-N 0 3 374.554 3.293 20 30 FGEDHN N#Cc1c(NC(=O)CCN2CC[C@H](C(F)F)C2)sc2c1CCCC2 ZINC000611179974 507550346 /nfs/dbraw/zinc/55/03/46/507550346.db2.gz OZCQYYSCHJGCJC-NSHDSACASA-N 0 3 353.438 3.414 20 30 FGEDHN N#Cc1ccc(CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000595557402 507559085 /nfs/dbraw/zinc/55/90/85/507559085.db2.gz IEOYNNUCTLSJJL-XZOQPEGZSA-N 0 3 361.489 3.076 20 30 FGEDHN Cc1ccccc1CN1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000611254031 507581731 /nfs/dbraw/zinc/58/17/31/507581731.db2.gz GXLMEYUYHZGALX-UHFFFAOYSA-N 0 3 359.477 3.222 20 30 FGEDHN CC(C)C[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000611251484 507581841 /nfs/dbraw/zinc/58/18/41/507581841.db2.gz USPLVEJVGDJVOD-AEFFLSMTSA-N 0 3 367.415 3.495 20 30 FGEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000595612183 507590404 /nfs/dbraw/zinc/59/04/04/507590404.db2.gz SQJVMKSKGFPDQF-ZDUSSCGKSA-N 0 3 350.260 3.403 20 30 FGEDHN COCCc1ccc(OC[C@H](O)CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000595632867 507603408 /nfs/dbraw/zinc/60/34/08/507603408.db2.gz IKBJRVXSRPYHIE-HXUWFJFHSA-N 0 3 368.477 3.012 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000592354802 507615618 /nfs/dbraw/zinc/61/56/18/507615618.db2.gz CFWFXJSFGIPGFX-UYAOXDASSA-N 0 3 359.539 3.439 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000586756923 507660166 /nfs/dbraw/zinc/66/01/66/507660166.db2.gz NPVLHEIFKFKALH-GOSISDBHSA-N 0 3 365.452 3.268 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](CC2CC2)c2ccccc2)cc1 ZINC000611395694 507660324 /nfs/dbraw/zinc/66/03/24/507660324.db2.gz PDYHGYQYRMBAIE-HXUWFJFHSA-N 0 3 354.475 3.463 20 30 FGEDHN N#CC1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000595747893 507663212 /nfs/dbraw/zinc/66/32/12/507663212.db2.gz OIAAYGDNNYZYBT-UHFFFAOYSA-N 0 3 369.513 3.067 20 30 FGEDHN Cc1oc(NC(=O)CN[C@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C#N)c1C ZINC000595777784 507680706 /nfs/dbraw/zinc/68/07/06/507680706.db2.gz JYUPUIBURNHIJB-HOTGVXAUSA-N 0 3 359.470 3.423 20 30 FGEDHN CN(Cc1cnc2c(C#N)cnn2c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000592498792 507681268 /nfs/dbraw/zinc/68/12/68/507681268.db2.gz GEXMGSKJJXVDBX-UYAOXDASSA-N 0 3 361.449 3.201 20 30 FGEDHN CS[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(F)c32)C[C@H]1N1CCCC1 ZINC000614977702 507712212 /nfs/dbraw/zinc/71/22/12/507712212.db2.gz CRZPGMGZEVRQBH-HZPDHXFCSA-N 0 3 374.460 3.401 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000595980847 507754289 /nfs/dbraw/zinc/75/42/89/507754289.db2.gz LOOADOKTOFABAX-INIZCTEOSA-N 0 3 365.412 3.490 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825322649 607516281 /nfs/dbraw/zinc/51/62/81/607516281.db2.gz HOFJAEUCNUOZMU-UHFFFAOYSA-N 0 3 362.437 3.159 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2CCCCO2)cc1Cl ZINC000111945301 700551774 /nfs/dbraw/zinc/55/17/74/700551774.db2.gz PZCHECMUFPLNIV-KGLIPLIRSA-N 0 3 364.829 3.345 20 30 FGEDHN N#CC(C(=O)CCCn1ccc2cc(Cl)ccc21)C(=O)N1CCCC1 ZINC000127658773 700764563 /nfs/dbraw/zinc/76/45/63/700764563.db2.gz DCWAFMLEJFQZKY-INIZCTEOSA-N 0 3 357.841 3.406 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC2CCCCC2)cc1Cl ZINC000130364014 700800671 /nfs/dbraw/zinc/80/06/71/700800671.db2.gz VDKDYCWJFWDWQT-AWEZNQCLSA-N 0 3 364.829 3.345 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCS[C@H]2COCC[C@@H]21 ZINC000131147863 700811128 /nfs/dbraw/zinc/81/11/28/700811128.db2.gz RQTATHMOPXDUIF-IRXDYDNUSA-N 0 3 361.536 3.478 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccc(Br)cc1 ZINC000155601748 705084646 /nfs/dbraw/zinc/08/46/46/705084646.db2.gz DVWCVDWJXLHMGZ-ABAIWWIYSA-N 0 3 363.255 3.320 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](CC)C(=O)N2CCOCC2)cc1 ZINC000165194388 705337971 /nfs/dbraw/zinc/33/79/71/705337971.db2.gz HLSLTXLSPSUJKI-CRAIPNDOSA-N 0 3 366.889 3.106 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000177302964 705616608 /nfs/dbraw/zinc/61/66/08/705616608.db2.gz ZTAWWSSZEXPRCL-CYBMUJFWSA-N 0 3 354.372 3.108 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000177302954 705616974 /nfs/dbraw/zinc/61/69/74/705616974.db2.gz ZTAWWSSZEXPRCL-ZDUSSCGKSA-N 0 3 354.372 3.108 20 30 FGEDHN COC[C@@]1(CNCc2ccc(C#N)s2)CCCN1C(=O)OC(C)(C)C ZINC000310708276 713800643 /nfs/dbraw/zinc/80/06/43/713800643.db2.gz ZQEHMDRWPMTCLP-SFHVURJKSA-N 0 3 365.499 3.125 20 30 FGEDHN C=CCN(CCc1ccccc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000521685899 714141934 /nfs/dbraw/zinc/14/19/34/714141934.db2.gz IXIDVZBQIDMVPI-UHFFFAOYSA-N 0 3 358.507 3.168 20 30 FGEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000619755908 714867401 /nfs/dbraw/zinc/86/74/01/714867401.db2.gz YGINMKIJYRFWRX-LBPRGKRZSA-N 0 3 363.870 3.434 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635530820 717176650 /nfs/dbraw/zinc/17/66/50/717176650.db2.gz KJZWISHMWNNXFE-UHFFFAOYSA-N 0 3 360.260 3.485 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640930983 717834377 /nfs/dbraw/zinc/83/43/77/717834377.db2.gz XCNZDDJFZAFSCN-XJKSGUPXSA-N 0 3 361.515 3.161 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646920811 718321990 /nfs/dbraw/zinc/32/19/90/718321990.db2.gz VKDAABHGSULFBT-DOMZBBRYSA-N 0 3 354.372 3.046 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000783536308 724762693 /nfs/dbraw/zinc/76/26/93/724762693.db2.gz KRHREZGGZLRABF-RYUDHWBXSA-N 0 3 366.310 3.340 20 30 FGEDHN N#C[C@H](c1ccc(N2CCN(C3CCCC3)CC2)nn1)c1ccccc1F ZINC001165028178 721857579 /nfs/dbraw/zinc/85/75/79/721857579.db2.gz KDOBHHUDIHGIJT-SFHVURJKSA-N 0 3 365.456 3.336 20 30 FGEDHN C#CC[C@@H](COC)NCc1ccc(Br)c(Br)c1 ZINC000716933355 722417116 /nfs/dbraw/zinc/41/71/16/722417116.db2.gz HPFRGKNDYLLELZ-NSHDSACASA-N 0 3 361.077 3.340 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CCSCC2)cc1Cl ZINC000733054153 722491754 /nfs/dbraw/zinc/49/17/54/722491754.db2.gz YWLOGDQCAPJTDM-LBPRGKRZSA-N 0 3 352.843 3.139 20 30 FGEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000740886526 722539166 /nfs/dbraw/zinc/53/91/66/722539166.db2.gz SNSYHQJHCFMPBZ-OAHLLOKOSA-N 0 3 357.479 3.362 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)Nc1ccc(F)cc1 ZINC000743827663 722571651 /nfs/dbraw/zinc/57/16/51/722571651.db2.gz MQKDZEXKIFVFBH-UHFFFAOYSA-N 0 3 356.470 3.458 20 30 FGEDHN CN1CCC(NC(=S)N(Cc2ccccc2C#N)C2CCCC2)CC1 ZINC000747705724 722657418 /nfs/dbraw/zinc/65/74/18/722657418.db2.gz IKCWTMUJVLEEKU-UHFFFAOYSA-N 0 3 356.539 3.272 20 30 FGEDHN C[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000755199083 722951246 /nfs/dbraw/zinc/95/12/46/722951246.db2.gz JEUYWEJEHKXLRI-UKRRQHHQSA-N 0 3 352.463 3.051 20 30 FGEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000764762838 723443465 /nfs/dbraw/zinc/44/34/65/723443465.db2.gz UOBMBKSJRKHHSY-DCGLDWPTSA-N 0 3 366.389 3.075 20 30 FGEDHN C[C@@H]1CCSCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000794570021 723531942 /nfs/dbraw/zinc/53/19/42/723531942.db2.gz COFMARPZUDPRJM-HIFRSBDPSA-N 0 3 352.463 3.051 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000765796814 723541859 /nfs/dbraw/zinc/54/18/59/723541859.db2.gz LVVZUCNQXYJZEZ-KRWDZBQOSA-N 0 3 350.384 3.190 20 30 FGEDHN N#CC(C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1 ZINC000766846695 723595496 /nfs/dbraw/zinc/59/54/96/723595496.db2.gz PUCAWSNOMCTTRE-HNNXBMFYSA-N 0 3 352.356 3.406 20 30 FGEDHN CC(C)C[C@@](C)(NCC(=O)NCCC#N)c1cccc(Br)c1 ZINC000796513923 723641097 /nfs/dbraw/zinc/64/10/97/723641097.db2.gz WXXJTJYXYAGDLA-QGZVFWFLSA-N 0 3 366.303 3.330 20 30 FGEDHN C#CCNC(=O)CN[C@](C)(CC(C)C)c1cccc(Br)c1 ZINC000796513195 723641102 /nfs/dbraw/zinc/64/11/02/723641102.db2.gz QLKUFBINXHMWDN-QGZVFWFLSA-N 0 3 351.288 3.049 20 30 FGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2sc3nccn3c2C)cc1 ZINC000769246925 723680626 /nfs/dbraw/zinc/68/06/26/723680626.db2.gz STDXSGVJVCPGCI-CQSZACIVSA-N 0 3 352.419 3.228 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)[C@H]1CCSC1 ZINC000773983289 723845777 /nfs/dbraw/zinc/84/57/77/723845777.db2.gz WZGLVKBIGZPOCC-GJZGRUSLSA-N 0 3 357.504 3.424 20 30 FGEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800409485 724193300 /nfs/dbraw/zinc/19/33/00/724193300.db2.gz MVJVHWQSSYIOBX-TZMCWYRMSA-N 0 3 354.784 3.491 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800410796 724193348 /nfs/dbraw/zinc/19/33/48/724193348.db2.gz ZNAJALXRJYOUGB-GXFFZTMASA-N 0 3 356.319 3.115 20 30 FGEDHN Cc1sc(NC(=O)CN[C@H]2CCc3ccccc3OC2)c(C#N)c1C ZINC000801576370 724316067 /nfs/dbraw/zinc/31/60/67/724316067.db2.gz ZMJPTLZKHWTEAX-HNNXBMFYSA-N 0 3 355.463 3.159 20 30 FGEDHN COc1cc(OC)c(OC)cc1CN(CCO[C@@H](C)C#N)C(C)(C)C ZINC000801928232 724347163 /nfs/dbraw/zinc/34/71/63/724347163.db2.gz NPPBAHWRSRVFPH-AWEZNQCLSA-N 0 3 350.459 3.242 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802043255 724354812 /nfs/dbraw/zinc/35/48/12/724354812.db2.gz VGRSLOFELJAEMZ-GUBZILKMSA-N 0 3 356.756 3.206 20 30 FGEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)NCc1ccc(F)c(F)c1 ZINC000802212805 724364841 /nfs/dbraw/zinc/36/48/41/724364841.db2.gz DJDCFIXBAHBUNU-LLVKDONJSA-N 0 3 368.792 3.247 20 30 FGEDHN CCO[C@H](CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)C(C)C ZINC000786525912 724986301 /nfs/dbraw/zinc/98/63/01/724986301.db2.gz CIFBPKYIPMBTHQ-NVXWUHKLSA-N 0 3 350.846 3.116 20 30 FGEDHN Cc1noc(C)c1[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533359 724987051 /nfs/dbraw/zinc/98/70/51/724987051.db2.gz DDFOPDDKWGQZMY-ZUZCIYMTSA-N 0 3 359.813 3.074 20 30 FGEDHN CC(C)OCC(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000787054140 725015199 /nfs/dbraw/zinc/01/51/99/725015199.db2.gz SNLCLXQTIOODGS-ZWNOBZJWSA-N 0 3 357.237 3.304 20 30 FGEDHN COc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnc1Br ZINC000788350770 725059554 /nfs/dbraw/zinc/05/95/54/725059554.db2.gz ZZZHGMIIALSXJH-SNVBAGLBSA-N 0 3 371.194 3.219 20 30 FGEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc([S@@](C)=O)cc3)nc21 ZINC000805884473 725102163 /nfs/dbraw/zinc/10/21/63/725102163.db2.gz PUAYCTWXVFWNHB-ODCWNRFASA-N 0 3 351.431 3.028 20 30 FGEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Br)c1 ZINC000813061175 726834433 /nfs/dbraw/zinc/83/44/33/726834433.db2.gz TVJCVADAEBARAF-XHDPSFHLSA-N 0 3 363.255 3.320 20 30 FGEDHN C=CCC(F)(F)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCCN1CC ZINC000815875342 727103100 /nfs/dbraw/zinc/10/31/00/727103100.db2.gz RTQPOPGBFBEZCE-INIZCTEOSA-N 0 3 352.425 3.417 20 30 FGEDHN C#CCN(C)CCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000818602950 727316332 /nfs/dbraw/zinc/31/63/32/727316332.db2.gz KFSKQIOSQUVOKM-UHFFFAOYSA-N 0 3 357.281 3.224 20 30 FGEDHN C=CCS(=O)(=O)CCN[C@H]1CCCCc2ccc(Br)cc21 ZINC000834759844 729832255 /nfs/dbraw/zinc/83/22/55/729832255.db2.gz GEKVGJDBRKMGST-INIZCTEOSA-N 0 3 372.328 3.407 20 30 FGEDHN C#CCN(C)CCCNC(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 ZINC000836488183 729957554 /nfs/dbraw/zinc/95/75/54/729957554.db2.gz NDMLIDYDTRXCQO-UHFFFAOYSA-N 0 3 355.404 3.192 20 30 FGEDHN CC(=NNC(=S)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000841607774 730259831 /nfs/dbraw/zinc/25/98/31/730259831.db2.gz IUXHCDUNIMTXOG-INIZCTEOSA-N 0 3 366.481 3.146 20 30 FGEDHN CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(=O)NCc1cccs1 ZINC000842748848 730538966 /nfs/dbraw/zinc/53/89/66/730538966.db2.gz SQWJYUURTSSRGZ-KSSFIOAISA-N 0 3 357.479 3.224 20 30 FGEDHN N#CCOc1cc(F)ccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844426132 730716180 /nfs/dbraw/zinc/71/61/80/730716180.db2.gz HGQMFDUWYQUWDL-RYUDHWBXSA-N 0 3 360.307 3.414 20 30 FGEDHN CCn1ccc(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000845442084 730850427 /nfs/dbraw/zinc/85/04/27/730850427.db2.gz KGFRBFYOJGBELW-LBPRGKRZSA-N 0 3 365.220 3.100 20 30 FGEDHN N#CC1(COC(=O)C2CCSCC2)CCN(Cc2ccccc2)CC1 ZINC000847748551 731087051 /nfs/dbraw/zinc/08/70/51/731087051.db2.gz CTRJFUGBUUVCEO-UHFFFAOYSA-N 0 3 358.507 3.479 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000850761701 731386210 /nfs/dbraw/zinc/38/62/10/731386210.db2.gz QJIOZQYIKSBXFW-MFKMUULPSA-N 0 3 355.221 3.317 20 30 FGEDHN CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852733206 731627735 /nfs/dbraw/zinc/62/77/35/731627735.db2.gz XOQFVXDSHDIZKR-IPMKNSEASA-N 0 3 365.905 3.042 20 30 FGEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000854071114 731791183 /nfs/dbraw/zinc/79/11/83/731791183.db2.gz XQBHTMLMTLGAHZ-INIZCTEOSA-N 0 3 355.404 3.190 20 30 FGEDHN C=C(Cl)C[C@H]1NC(=O)N(C[C@H](c2ccc(SC)cc2)N(C)C)C1=O ZINC000865309760 733178644 /nfs/dbraw/zinc/17/86/44/733178644.db2.gz NTIKJLHMBJPMGO-HUUCEWRRSA-N 0 3 367.902 3.074 20 30 FGEDHN C#CCN1CCC(C(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)CC1 ZINC000870011046 733800268 /nfs/dbraw/zinc/80/02/68/733800268.db2.gz IPXIAZJFNJWKRW-UHFFFAOYSA-N 0 3 359.857 3.178 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1C[C@@H](OC)C1 ZINC000871643150 733955377 /nfs/dbraw/zinc/95/53/77/733955377.db2.gz WZVFRYQQJNMOJW-IYBDPMFKSA-N 0 3 350.532 3.010 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000876582614 736116580 /nfs/dbraw/zinc/11/65/80/736116580.db2.gz UYPURWBKZYECPF-INIZCTEOSA-N 0 3 363.889 3.276 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000876586242 736117271 /nfs/dbraw/zinc/11/72/71/736117271.db2.gz HCZRHYLXXIXUDL-LBPRGKRZSA-N 0 3 362.804 3.115 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000876590503 736117890 /nfs/dbraw/zinc/11/78/90/736117890.db2.gz WDZWVEIOHHNXMX-IOASZLSFSA-N 0 3 363.889 3.213 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(I)ccc1C ZINC000876942842 736165924 /nfs/dbraw/zinc/16/59/24/736165924.db2.gz GZCQUSKQWALHTQ-JTQLQIEISA-N 0 3 364.614 3.008 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877574287 736686991 /nfs/dbraw/zinc/68/69/91/736686991.db2.gz DWVMYBRSPMUMLN-DOMZBBRYSA-N 0 3 364.877 3.390 20 30 FGEDHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884099173 737632714 /nfs/dbraw/zinc/63/27/14/737632714.db2.gz GUROSQQQROWVQN-TXKKKEFDSA-N 0 3 366.292 3.481 20 30 FGEDHN Cc1cc(-c2csc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)n2)c(C)o1 ZINC000884099720 737633419 /nfs/dbraw/zinc/63/34/19/737633419.db2.gz XLOHPTJXHDZZAT-XYEKJYRLSA-N 0 3 356.451 3.098 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)NC1(c3ccc(Cl)cc3)CCCC1)C2 ZINC000884118089 737634965 /nfs/dbraw/zinc/63/49/65/737634965.db2.gz UJBRJDKTJQTZMA-NLGTXKQRSA-N 0 3 357.885 3.365 20 30 FGEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)C2 ZINC000884125661 737636061 /nfs/dbraw/zinc/63/60/61/737636061.db2.gz DWBGMWNHEJOTNQ-WXNRQPJFSA-N 0 3 357.885 3.437 20 30 FGEDHN C#CCN(C(=O)[C@H](C)c1ccc(Br)cc1)C1CCN(C)CC1 ZINC000886578598 739271905 /nfs/dbraw/zinc/27/19/05/739271905.db2.gz DFMOUBLOFXGXAX-CQSZACIVSA-N 0 3 363.299 3.109 20 30 FGEDHN C#Cc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000897614636 742695640 /nfs/dbraw/zinc/69/56/40/742695640.db2.gz YKGPSTFOKNWIJG-UHFFFAOYSA-N 0 3 350.384 3.203 20 30 FGEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2nc(C#N)cs2)C[C@@H]1C(F)(F)F ZINC000897625901 742697398 /nfs/dbraw/zinc/69/73/98/742697398.db2.gz JUPFNJLRQCHCKL-WCQGTBRESA-N 0 3 361.389 3.015 20 30 FGEDHN C[C@H](NC[C@H](CO)Cc1ccc(Br)cc1)c1cc(C#N)ccn1 ZINC000902972386 743794597 /nfs/dbraw/zinc/79/45/97/743794597.db2.gz DRYFSHYYLARUDM-XJKSGUPXSA-N 0 3 374.282 3.218 20 30 FGEDHN C[C@H](NC[C@@H]1CSCCN1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902972132 743794805 /nfs/dbraw/zinc/79/48/05/743794805.db2.gz ABKONHJWQDHBEB-QFBILLFUSA-N 0 3 352.507 3.221 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCSCC1 ZINC000904595533 743963831 /nfs/dbraw/zinc/96/38/31/743963831.db2.gz 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758154033 /nfs/dbraw/zinc/15/40/33/758154033.db2.gz BNUAUQQUXACQQY-KGLIPLIRSA-N 0 3 358.829 3.452 20 30 FGEDHN C[C@H]1c2cccn2CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917060745 758172959 /nfs/dbraw/zinc/17/29/59/758172959.db2.gz DUGAMCGKNCYFMO-UONOGXRCSA-N 0 3 350.447 3.351 20 30 FGEDHN C#CCN(C(=O)N[C@H](C)c1ccc(F)cc1Cl)C1CCN(C)CC1 ZINC000919403897 758431394 /nfs/dbraw/zinc/43/13/94/758431394.db2.gz FGRLHQGQSBBPTB-CYBMUJFWSA-N 0 3 351.853 3.279 20 30 FGEDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000922238319 758877721 /nfs/dbraw/zinc/87/77/21/758877721.db2.gz BWEXGGAYPBEHQF-MNVSYLFESA-N 0 3 355.301 3.100 20 30 FGEDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 ZINC000924806754 759396137 /nfs/dbraw/zinc/39/61/37/759396137.db2.gz QOIFLHZXHIQPRB-HNNXBMFYSA-N 0 3 351.516 3.135 20 30 FGEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1 ZINC000961414464 762748257 /nfs/dbraw/zinc/74/82/57/762748257.db2.gz JYHIKZPJNYYKCJ-BPQIPLTHSA-N 0 3 354.922 3.257 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC000968717229 762841272 /nfs/dbraw/zinc/84/12/72/762841272.db2.gz SDSAIQXDZYIQQX-YUELXQCFSA-N 0 3 354.903 3.073 20 30 FGEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C[C@]2(C)C1 ZINC000982308404 763581325 /nfs/dbraw/zinc/58/13/25/763581325.db2.gz XKUNTAWMSFZUEV-ATLSCFEFSA-N 0 3 356.432 3.159 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@]2(C)CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC000982573915 763586730 /nfs/dbraw/zinc/58/67/30/763586730.db2.gz HLYSTPSIHGYIIW-BWPNAZKDSA-N 0 3 360.523 3.010 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001000233731 765207138 /nfs/dbraw/zinc/20/71/38/765207138.db2.gz WKMZIRRZXRZKTM-JZXOWHBKSA-N 0 3 366.864 3.151 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCc2ccccc2Cl)CC1 ZINC001003652879 765391667 /nfs/dbraw/zinc/39/16/67/765391667.db2.gz QTSGOGIQGYUKRS-MJGOQNOKSA-N 0 3 362.901 3.054 20 30 FGEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001017167914 765832253 /nfs/dbraw/zinc/83/22/53/765832253.db2.gz ITAGKFUJPXEFJX-JXXFODFXSA-N 0 3 357.523 3.480 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNCc2c(F)cccc2Cl)C1 ZINC001027075696 766087686 /nfs/dbraw/zinc/08/76/86/766087686.db2.gz YUCAPOABACTXKI-LBTNJELSSA-N 0 3 366.864 3.008 20 30 FGEDHN CN(Cc1ccc(C#N)s1)CC1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001029978666 766159264 /nfs/dbraw/zinc/15/92/64/766159264.db2.gz LTAFNAWPMRGIPP-OXQOHEQNSA-N 0 3 357.523 3.480 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001045973460 766578755 /nfs/dbraw/zinc/57/87/55/766578755.db2.gz QXMQFAQWQJZSAX-WXPMVHIXSA-N 0 3 366.933 3.425 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001045970934 766578841 /nfs/dbraw/zinc/57/88/41/766578841.db2.gz OJRVXBHGADYOMB-WMQMGCBPSA-N 0 3 352.906 3.035 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001050694218 766853632 /nfs/dbraw/zinc/85/36/32/766853632.db2.gz PGHAUBGCMPQFHG-BZSNNMDCSA-N 0 3 352.494 3.030 20 30 FGEDHN COC(=O)c1ccc(NC[C@]2(C)CCCN2Cc2ccccc2)c(C#N)n1 ZINC000570827367 505589878 /nfs/dbraw/zinc/58/98/78/505589878.db2.gz RNAKNPZMHLRFQM-NRFANRHFSA-N 0 3 364.449 3.206 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCSc3ccccc32)cc1 ZINC000580049758 505670462 /nfs/dbraw/zinc/67/04/62/505670462.db2.gz JQUIQEWZORIFCL-APWZRJJASA-N 0 3 354.475 3.319 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CNC[C@H]2SCCc3ccccc32)cc1 ZINC000568381895 505681066 /nfs/dbraw/zinc/68/10/66/505681066.db2.gz DAEKZBMQTULOFV-WIYYLYMNSA-N 0 3 368.502 3.113 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(F)cc1 ZINC000068310281 493794067 /nfs/dbraw/zinc/79/40/67/493794067.db2.gz CZUZXSMNCYUVSU-UHFFFAOYSA-N 0 3 369.440 3.057 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081124932 493835601 /nfs/dbraw/zinc/83/56/01/493835601.db2.gz XHLNQEGOMFSCBG-FXAWDEMLSA-N 0 3 363.461 3.058 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081125185 493837411 /nfs/dbraw/zinc/83/74/11/493837411.db2.gz YROPZSHBEZBXMA-FXAWDEMLSA-N 0 3 363.461 3.058 20 30 FGEDHN Cc1ccc(C#N)cc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000058452443 493856086 /nfs/dbraw/zinc/85/60/86/493856086.db2.gz UCQAYLDXEWIGLH-UHFFFAOYSA-N 0 3 358.511 3.350 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc([N+](=O)[O-])cc3)C2)c(F)c1 ZINC000068991629 493903541 /nfs/dbraw/zinc/90/35/41/493903541.db2.gz DSUPUQDAXZZTQP-INIZCTEOSA-N 0 3 354.385 3.364 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNCCOC[C@@H]3CCOC3)c2)c1 ZINC000068995172 493904798 /nfs/dbraw/zinc/90/47/98/493904798.db2.gz PHAMFJWJQAJULT-OAQYLSRUSA-N 0 3 366.461 3.280 20 30 FGEDHN C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000031123562 493926436 /nfs/dbraw/zinc/92/64/36/493926436.db2.gz ZIRQJUQQAYNHPM-KRWDZBQOSA-N 0 3 362.477 3.367 20 30 FGEDHN C[C@@H](Cc1ccsc1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000052584241 494043040 /nfs/dbraw/zinc/04/30/40/494043040.db2.gz MRLXYHHFYXOYQE-INIZCTEOSA-N 0 3 370.522 3.324 20 30 FGEDHN O=C(NCC#Cc1ccccc1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000063464309 494057594 /nfs/dbraw/zinc/05/75/94/494057594.db2.gz BSSINKNNXCAWNY-QFIPXVFZSA-N 0 3 361.489 3.250 20 30 FGEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C(C)C)C1CCC1 ZINC000077357970 494066759 /nfs/dbraw/zinc/06/67/59/494066759.db2.gz BGJIYOHYOWPYHU-UHFFFAOYSA-N 0 3 360.502 3.215 20 30 FGEDHN COc1cc(CN2C[C@@H](O)C(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000574123794 505698545 /nfs/dbraw/zinc/69/85/45/505698545.db2.gz UJOMQGXTRIZJQY-OAQYLSRUSA-N 0 3 366.461 3.349 20 30 FGEDHN CCn1cnnc1CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000085325832 494115734 /nfs/dbraw/zinc/11/57/34/494115734.db2.gz POXMSGMLFLORRZ-UHFFFAOYSA-N 0 3 361.449 3.081 20 30 FGEDHN C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2CN2CCC[C@@H]2CO)c1 ZINC000085582290 494132972 /nfs/dbraw/zinc/13/29/72/494132972.db2.gz QIIFCYOXDPAAOY-RTBURBONSA-N 0 3 373.497 3.095 20 30 FGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000077744042 494164070 /nfs/dbraw/zinc/16/40/70/494164070.db2.gz GZFYYWGRBCOYAR-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)N(C)C)cc1 ZINC000065411947 494194647 /nfs/dbraw/zinc/19/46/47/494194647.db2.gz YKJLFGKEACXYTH-IBGZPJMESA-N 0 3 352.438 3.322 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(C)c2ccccc12 ZINC000065931065 494257450 /nfs/dbraw/zinc/25/74/50/494257450.db2.gz MJPNBUQLXBYZAU-UHFFFAOYSA-N 0 3 360.461 3.254 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000055052216 494295208 /nfs/dbraw/zinc/29/52/08/494295208.db2.gz BRBKYRFPNKFPIV-UHFFFAOYSA-N 0 3 364.449 3.223 20 30 FGEDHN CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CCN(C)CC1 ZINC000055158981 494307862 /nfs/dbraw/zinc/30/78/62/494307862.db2.gz NYVFHXLUQBOCLK-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000073649457 494407872 /nfs/dbraw/zinc/40/78/72/494407872.db2.gz XXTOUKSTTYRJTE-RBBKRZOGSA-N 0 3 350.462 3.445 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000066875335 494431178 /nfs/dbraw/zinc/43/11/78/494431178.db2.gz WXRPAIWORCDNLL-UHFFFAOYSA-N 0 3 355.482 3.098 20 30 FGEDHN CN(C)C(=O)C(C)(C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905929 494436373 /nfs/dbraw/zinc/43/63/73/494436373.db2.gz PVLYMKOYLXEZNX-UHFFFAOYSA-N 0 3 351.450 3.094 20 30 FGEDHN Cc1cc2c(ncnc2N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000090111381 494442710 /nfs/dbraw/zinc/44/27/10/494442710.db2.gz STAARCBOKCSLJO-UHFFFAOYSA-N 0 3 351.479 3.440 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000079556022 494480692 /nfs/dbraw/zinc/48/06/92/494480692.db2.gz YYEKOYNBRKTHNF-XLIONFOSSA-N 0 3 363.461 3.106 20 30 FGEDHN CN1CCN(c2cccc(Cl)c2CNCc2ccc(C#N)s2)CC1 ZINC000577428171 505724768 /nfs/dbraw/zinc/72/47/68/505724768.db2.gz SRDGEZWHXXGUCS-UHFFFAOYSA-N 0 3 360.914 3.315 20 30 FGEDHN C=CCN(C)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000121132050 494610529 /nfs/dbraw/zinc/61/05/29/494610529.db2.gz CMHXIJGTCCKVLD-UHFFFAOYSA-N 0 3 367.449 3.394 20 30 FGEDHN CCc1nc(COc2ccc(C([O-])=C(C#N)c3nc(C)cs3)cc2)no1 ZINC000115901062 494660618 /nfs/dbraw/zinc/66/06/18/494660618.db2.gz GUNCIHHVTGEODC-AWEZNQCLSA-N 0 3 368.418 3.466 20 30 FGEDHN CCc1nc(COc2ccc(C(=O)C(C#N)c3nc(C)cs3)cc2)no1 ZINC000115901062 494660634 /nfs/dbraw/zinc/66/06/34/494660634.db2.gz GUNCIHHVTGEODC-AWEZNQCLSA-N 0 3 368.418 3.466 20 30 FGEDHN CCN(C[C@H](O)COc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000067966455 494712878 /nfs/dbraw/zinc/71/28/78/494712878.db2.gz FPKIMRALMCZVTB-YJBOKZPZSA-N 0 3 368.433 3.110 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047671758 494756606 /nfs/dbraw/zinc/75/66/06/494756606.db2.gz DFAZBKRLPAHETG-UHFFFAOYSA-N 0 3 367.409 3.062 20 30 FGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1C1CC1 ZINC000026037045 494796750 /nfs/dbraw/zinc/79/67/50/494796750.db2.gz KZBGNWBHOYOZHJ-LBPRGKRZSA-N 0 3 359.480 3.075 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000121781724 494858790 /nfs/dbraw/zinc/85/87/90/494858790.db2.gz CDEPVRXWHGGSCP-ZDUSSCGKSA-N 0 3 356.388 3.342 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000126955139 494868984 /nfs/dbraw/zinc/86/89/84/494868984.db2.gz XFFMAXMOFOAUQH-MOPGFXCFSA-N 0 3 350.418 3.200 20 30 FGEDHN Cc1ccccc1O[C@H]1CCCC[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000574324037 505747742 /nfs/dbraw/zinc/74/77/42/505747742.db2.gz QUAKLAGUEOOOIL-ICSRJNTNSA-N 0 3 361.449 3.389 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H](N(C)C)C2)c1C#N ZINC000109811384 494920053 /nfs/dbraw/zinc/92/00/53/494920053.db2.gz NYIUVMWCSJTBMQ-SFHVURJKSA-N 0 3 371.529 3.056 20 30 FGEDHN Cc1cc(NC(=O)N2CCCC23CCN(C)CC3)c(C#N)cc1N(C)C ZINC000580411723 505753952 /nfs/dbraw/zinc/75/39/52/505753952.db2.gz GDBKFXMTXIYMSX-UHFFFAOYSA-N 0 3 355.486 3.025 20 30 FGEDHN CC(C)N1CCN(c2cccc(NC(=O)c3sccc3C#N)c2)CC1 ZINC000122590513 494999863 /nfs/dbraw/zinc/99/98/63/494999863.db2.gz ALLDHNQCRBDGHW-UHFFFAOYSA-N 0 3 354.479 3.402 20 30 FGEDHN C[C@@H](CCNCc1cccc(OCc2cccc(C#N)c2)c1)[S@@](C)=O ZINC000133707865 495049507 /nfs/dbraw/zinc/04/95/07/495049507.db2.gz QMSWTHIWDQEGBV-LMKMVOKYSA-N 0 3 356.491 3.384 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000128541629 495113584 /nfs/dbraw/zinc/11/35/84/495113584.db2.gz NPNBNZXIPSTIHI-HDICACEKSA-N 0 3 369.509 3.218 20 30 FGEDHN N#CCCCOc1cccc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000134551895 495166888 /nfs/dbraw/zinc/16/68/88/495166888.db2.gz LZTKUYNTHIYDLK-IBGZPJMESA-N 0 3 355.482 3.250 20 30 FGEDHN CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 ZINC000574408397 505766120 /nfs/dbraw/zinc/76/61/20/505766120.db2.gz GPCSDRDFHYHMQG-UHFFFAOYSA-N 0 3 350.470 3.072 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000112526586 495201087 /nfs/dbraw/zinc/20/10/87/495201087.db2.gz VQINIUMHDHRZRB-SJORKVTESA-N 0 3 366.465 3.072 20 30 FGEDHN CC(C)Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C)cnc21 ZINC000119753855 495234005 /nfs/dbraw/zinc/23/40/05/495234005.db2.gz WWEVMEPOKHZTAJ-MRXNPFEDSA-N 0 3 372.432 3.464 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000112905842 495255200 /nfs/dbraw/zinc/25/52/00/495255200.db2.gz UYACPEIUVIPNLU-ZDUSSCGKSA-N 0 3 354.853 3.403 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1COc1ccccc1 ZINC000112984297 495262558 /nfs/dbraw/zinc/26/25/58/495262558.db2.gz YOCNHDMEKRQFSI-INIZCTEOSA-N 0 3 355.463 3.492 20 30 FGEDHN COC(=O)c1ccc(CNCCc2cccc(C#N)c2)c(Br)c1 ZINC000568787179 505776937 /nfs/dbraw/zinc/77/69/37/505776937.db2.gz KNRWVRPBHVJYOX-UHFFFAOYSA-N 0 3 373.250 3.440 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000106038845 495406546 /nfs/dbraw/zinc/40/65/46/495406546.db2.gz GMPQHQLFDVOBSI-UHFFFAOYSA-N 0 3 370.472 3.399 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000106039820 495406980 /nfs/dbraw/zinc/40/69/80/495406980.db2.gz BPTUIXLLIVTKHL-UHFFFAOYSA-N 0 3 351.288 3.148 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3F)c2C)CC1 ZINC000106039041 495407199 /nfs/dbraw/zinc/40/71/99/495407199.db2.gz PHXZSWDZNOHQPQ-UHFFFAOYSA-N 0 3 356.445 3.090 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(OC3CCCC3)c2)CC1 ZINC000106259883 495439909 /nfs/dbraw/zinc/43/99/09/495439909.db2.gz ALZHSTGQTASVFL-UHFFFAOYSA-N 0 3 372.513 3.243 20 30 FGEDHN CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CCN(C)CC1 ZINC000115314734 495489474 /nfs/dbraw/zinc/48/94/74/495489474.db2.gz RXBGUZOLKMPCET-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN Cc1nc(SCC(=O)N[C@H]2CCN(C3CCCC3)C2)c(C#N)c(C)c1C ZINC000106789745 495496768 /nfs/dbraw/zinc/49/67/68/495496768.db2.gz IJNDQADAVXDIDK-INIZCTEOSA-N 0 3 372.538 3.104 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106790341 495497422 /nfs/dbraw/zinc/49/74/22/495497422.db2.gz NLYPSLDJYZQEMM-PXNSSMCTSA-N 0 3 355.482 3.095 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000141743795 495509954 /nfs/dbraw/zinc/50/99/54/495509954.db2.gz MVKWJEZSYHIREQ-HNNXBMFYSA-N 0 3 374.916 3.489 20 30 FGEDHN CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)[N-]CCSC)cc1 ZINC000131256709 495513274 /nfs/dbraw/zinc/51/32/74/495513274.db2.gz PSFKIMCBOBVWRE-UHFFFAOYSA-O 0 3 359.540 3.428 20 30 FGEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000107375216 495526465 /nfs/dbraw/zinc/52/64/65/495526465.db2.gz HTGBGXBDDTYFBD-UHFFFAOYSA-N 0 3 365.481 3.478 20 30 FGEDHN C=CCSCCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000145367134 495555266 /nfs/dbraw/zinc/55/52/66/495555266.db2.gz VAFLJBDRAACTJM-UHFFFAOYSA-N 0 3 353.557 3.179 20 30 FGEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000574511836 505789007 /nfs/dbraw/zinc/78/90/07/505789007.db2.gz AENGYNJFMBERRS-CABCVRRESA-N 0 3 361.287 3.309 20 30 FGEDHN CC(C)c1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000170682413 495562225 /nfs/dbraw/zinc/56/22/25/495562225.db2.gz GOPXUPJFLHMRFP-UHFFFAOYSA-N 0 3 356.495 3.342 20 30 FGEDHN C[C@H]1CCN(C(=O)COc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000173529758 495576633 /nfs/dbraw/zinc/57/66/33/495576633.db2.gz JVLYOABNCKANGZ-SFHVURJKSA-N 0 3 363.461 3.060 20 30 FGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000176394219 495633863 /nfs/dbraw/zinc/63/38/63/495633863.db2.gz MXJWHSZJSKBLLG-CALCHBBNSA-N 0 3 370.497 3.301 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000159115847 495662926 /nfs/dbraw/zinc/66/29/26/495662926.db2.gz UKDGUNHRKBLGRO-AVGNSLFASA-N 0 3 371.403 3.187 20 30 FGEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179649908 495676166 /nfs/dbraw/zinc/67/61/66/495676166.db2.gz LVRFNLCRXOWKDW-AWEZNQCLSA-N 0 3 367.424 3.206 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C#N)[nH]1 ZINC000159293086 495703159 /nfs/dbraw/zinc/70/31/59/495703159.db2.gz QZVWUFNYZHWBQN-IBGZPJMESA-N 0 3 350.466 3.089 20 30 FGEDHN N#Cc1cccc(C(=O)NC[C@H]2CCCCN2C2CC2)c1Br ZINC000580619766 505799122 /nfs/dbraw/zinc/79/91/22/505799122.db2.gz RSRXKPYBQKZJSM-CQSZACIVSA-N 0 3 362.271 3.067 20 30 FGEDHN C#CCOc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000179753406 495719631 /nfs/dbraw/zinc/71/96/31/495719631.db2.gz LVAHESCYYMLDPT-UHFFFAOYSA-N 0 3 354.494 3.313 20 30 FGEDHN C=CC[C@@H](CO)NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000182910789 495753589 /nfs/dbraw/zinc/75/35/89/495753589.db2.gz XWPRSIAYDOAKNS-FQEVSTJZSA-N 0 3 367.493 3.151 20 30 FGEDHN C[C@@H]1C[C@@H]1[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(Cl)cc1 ZINC000180032152 495831769 /nfs/dbraw/zinc/83/17/69/495831769.db2.gz OLVXARAXMBZPBV-DKSSEZFCSA-N 0 3 358.873 3.283 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NCCCN2CCc3ccccc3C2)c(F)c1 ZINC000155231588 495884258 /nfs/dbraw/zinc/88/42/58/495884258.db2.gz ULLCIQCAMRWFQP-UHFFFAOYSA-N 0 3 355.388 3.015 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000155280470 495902643 /nfs/dbraw/zinc/90/26/43/495902643.db2.gz YTLWNADSZAOZEB-RTRPANQVSA-N 0 3 360.461 3.308 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151717289 495927053 /nfs/dbraw/zinc/92/70/53/495927053.db2.gz BWADYBDWYRDDFL-IRXDYDNUSA-N 0 3 356.422 3.127 20 30 FGEDHN N#Cc1ccc(CNCCCN2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000174368463 495930076 /nfs/dbraw/zinc/93/00/76/495930076.db2.gz JGGNYBSQMVFCMQ-UHFFFAOYSA-N 0 3 358.873 3.107 20 30 FGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)cc1OC ZINC000155402701 495946911 /nfs/dbraw/zinc/94/69/11/495946911.db2.gz TXCRNLSHYJTRGA-MOPGFXCFSA-N 0 3 352.434 3.446 20 30 FGEDHN Cc1ccc(-c2n[nH]cc2CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000568947558 505814324 /nfs/dbraw/zinc/81/43/24/505814324.db2.gz WOSFPYNOZXQACU-IBGZPJMESA-N 0 3 359.433 3.305 20 30 FGEDHN C[C@@H](C[C@H](O)c1ccco1)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351202 495962504 /nfs/dbraw/zinc/96/25/04/495962504.db2.gz OTOVBNJNEWSAGV-KSSFIOAISA-N 0 3 350.422 3.154 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000571785588 505814994 /nfs/dbraw/zinc/81/49/94/505814994.db2.gz WUBYMOYXROPPDT-HRAATJIYSA-N 0 3 365.452 3.267 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000171712218 496000872 /nfs/dbraw/zinc/00/08/72/496000872.db2.gz ZIUVCYMMJYTDJG-ZDUSSCGKSA-N 0 3 353.413 3.299 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(OCCc3ccccc3)CC2)CC1 ZINC000171740495 496016087 /nfs/dbraw/zinc/01/60/87/496016087.db2.gz CPQLUEDWGIINIR-UHFFFAOYSA-N 0 3 371.525 3.070 20 30 FGEDHN CN(C)CCN(Cc1ccco1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160685173 496019794 /nfs/dbraw/zinc/01/97/94/496019794.db2.gz KYFBMFVWGHZZBU-IBGZPJMESA-N 0 3 354.454 3.398 20 30 FGEDHN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1 ZINC000177391439 496044547 /nfs/dbraw/zinc/04/45/47/496044547.db2.gz WBQDFLNQRPRUTB-LSDHHAIUSA-N 0 3 357.479 3.220 20 30 FGEDHN C[C@@]1(CNc2nccc(C#N)c2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000160800093 496044672 /nfs/dbraw/zinc/04/46/72/496044672.db2.gz XHBXHAIBUGNSAR-IBGZPJMESA-N 0 3 351.410 3.328 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN(C)CC2CCOCC2)ccc1Cl ZINC000155740797 496053389 /nfs/dbraw/zinc/05/33/89/496053389.db2.gz OJNSKQPUUKIUMD-UHFFFAOYSA-N 0 3 363.889 3.254 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000183669353 496070218 /nfs/dbraw/zinc/07/02/18/496070218.db2.gz ISWMXIBSKZTART-RHSMWYFYSA-N 0 3 363.527 3.264 20 30 FGEDHN COc1cc(N2CCN(CCCC(C)(C)C#N)CC2)cc(OC)c1OC ZINC000183699162 496085571 /nfs/dbraw/zinc/08/55/71/496085571.db2.gz CDEAFOUBYTXDMK-UHFFFAOYSA-N 0 3 361.486 3.164 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC2CCOCC2)c1 ZINC000155911674 496104469 /nfs/dbraw/zinc/10/44/69/496104469.db2.gz QVNFMGNAWBDVCS-GOSISDBHSA-N 0 3 357.498 3.297 20 30 FGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H]2CCCC[C@@H]2C1 ZINC000177567175 496114975 /nfs/dbraw/zinc/11/49/75/496114975.db2.gz KFYSMBUDIZQMEW-RCCFBDPRSA-N 0 3 355.482 3.452 20 30 FGEDHN CCOc1ccc(OC[C@@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000577948374 505825593 /nfs/dbraw/zinc/82/55/93/505825593.db2.gz ZHBHITFPIZRNQC-AVRDEDQJSA-N 0 3 366.461 3.364 20 30 FGEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180930278 496205122 /nfs/dbraw/zinc/20/51/22/496205122.db2.gz PHUBMCBCHVAJMI-QGZVFWFLSA-N 0 3 361.449 3.055 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)C(C)C ZINC000186913252 496207481 /nfs/dbraw/zinc/20/74/81/496207481.db2.gz OIGHNFDQALNEFJ-FQEVSTJZSA-N 0 3 351.494 3.405 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000180954396 496217437 /nfs/dbraw/zinc/21/74/37/496217437.db2.gz LXLKSHRITYMPQP-QGZVFWFLSA-N 0 3 357.498 3.472 20 30 FGEDHN CC(C)[C@H](CCO)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000161742209 496231515 /nfs/dbraw/zinc/23/15/15/496231515.db2.gz QEXCTVAAYWUNRW-BBRMVZONSA-N 0 3 363.527 3.212 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)CC1 ZINC000172425417 496293510 /nfs/dbraw/zinc/29/35/10/496293510.db2.gz JPEDNXDEJOAAHU-UHFFFAOYSA-N 0 3 357.433 3.092 20 30 FGEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000580791304 505839640 /nfs/dbraw/zinc/83/96/40/505839640.db2.gz JJQLOWHEGIZKJC-UHFFFAOYSA-N 0 3 363.387 3.244 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000172470115 496308586 /nfs/dbraw/zinc/30/85/86/496308586.db2.gz DSQWIIRLOYRFLA-UHFFFAOYSA-N 0 3 370.497 3.085 20 30 FGEDHN C=C(C)CS(=O)(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000184348262 496345103 /nfs/dbraw/zinc/34/51/03/496345103.db2.gz ZVZUCNLCSJDPEN-UHFFFAOYSA-N 0 3 358.507 3.411 20 30 FGEDHN C[C@H]1[C@H](NC(=O)NCc2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000578003630 505839265 /nfs/dbraw/zinc/83/92/65/505839265.db2.gz NZWHJIPDBICPHY-KBXCAEBGSA-N 0 3 354.479 3.082 20 30 FGEDHN NC(=NOCc1nccn1C(F)F)c1cccc(CN2CCCCC2)c1 ZINC000157108713 496407338 /nfs/dbraw/zinc/40/73/38/496407338.db2.gz AOOIGYOGZMWKPO-UHFFFAOYSA-N 0 3 363.412 3.101 20 30 FGEDHN C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000578017458 505842562 /nfs/dbraw/zinc/84/25/62/505842562.db2.gz ACDCJJAQYCTVFH-SFHVURJKSA-N 0 3 367.497 3.024 20 30 FGEDHN CN(C)CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000181501460 496422054 /nfs/dbraw/zinc/42/20/54/496422054.db2.gz STTLKOMOPUSNQN-UHFFFAOYSA-N 0 3 352.438 3.015 20 30 FGEDHN C[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181543364 496439181 /nfs/dbraw/zinc/43/91/81/496439181.db2.gz MHGLJSSXSITRSW-QGZVFWFLSA-N 0 3 372.490 3.245 20 30 FGEDHN COc1cc(C)c(CN(C)CCOc2ccc(C#N)cc2OC)cc1OC ZINC000157349371 496460104 /nfs/dbraw/zinc/46/01/04/496460104.db2.gz MALPQKVJEQQWDP-UHFFFAOYSA-N 0 3 370.449 3.403 20 30 FGEDHN C[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cccc(C#N)c1 ZINC000181592836 496461085 /nfs/dbraw/zinc/46/10/85/496461085.db2.gz BUBLISRSIRBHIH-IERDGZPVSA-N 0 3 353.441 3.421 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2cc(Br)ccc2C)CC1 ZINC000187554230 496487499 /nfs/dbraw/zinc/48/74/99/496487499.db2.gz FHXRLGZLDBLKHJ-UHFFFAOYSA-N 0 3 366.303 3.207 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1C#N ZINC000153567189 496500598 /nfs/dbraw/zinc/50/05/98/496500598.db2.gz JBXHUDPTSIHYHF-UHFFFAOYSA-N 0 3 371.481 3.319 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178825275 496585252 /nfs/dbraw/zinc/58/52/52/496585252.db2.gz PZKTZPKMSNUQHK-FQEVSTJZSA-N 0 3 361.489 3.379 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(-n2cccn2)c1 ZINC000173208683 496594168 /nfs/dbraw/zinc/59/41/68/496594168.db2.gz ZUTZWXMASYNZGH-CVEARBPZSA-N 0 3 359.433 3.422 20 30 FGEDHN Cc1cc(C)n2c(CNCCSCc3ccccc3C#N)cnc2n1 ZINC000178876206 496602879 /nfs/dbraw/zinc/60/28/79/496602879.db2.gz TTYOPCUHZJVTNC-UHFFFAOYSA-N 0 3 351.479 3.241 20 30 FGEDHN CCN(CC)[C@H](CNc1ncncc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000580889700 505861891 /nfs/dbraw/zinc/86/18/91/505861891.db2.gz PGSMCLGRNQMICM-MRXNPFEDSA-N 0 3 363.387 3.284 20 30 FGEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1C ZINC000176070390 496670430 /nfs/dbraw/zinc/67/04/30/496670430.db2.gz BIFBHTNZMYDCJK-WCQYABFASA-N 0 3 352.385 3.106 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)c2ccccc2OCC#N)CCN1Cc1ccccc1 ZINC000176120736 496692721 /nfs/dbraw/zinc/69/27/21/496692721.db2.gz GKTXDYFMHPUQIL-HKUYNNGSSA-N 0 3 363.461 3.372 20 30 FGEDHN C=CCOc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2CN)cc1 ZINC000580891499 505862139 /nfs/dbraw/zinc/86/21/39/505862139.db2.gz NXFLOEPFKMVHHP-FQEVSTJZSA-N 0 3 351.450 3.019 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(CC(F)(F)F)nc1C)C(C)C ZINC000268706808 496764017 /nfs/dbraw/zinc/76/40/17/496764017.db2.gz SODQVQPQHMOPHY-INIZCTEOSA-N 0 3 372.435 3.182 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCOC)[C@H](C)c2ccccc2)CC1 ZINC000264410220 496895052 /nfs/dbraw/zinc/89/50/52/496895052.db2.gz STLQBVYKYPUZJT-GOSISDBHSA-N 0 3 359.514 3.446 20 30 FGEDHN CN1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)[C@H]1c1ccccc1 ZINC000247987455 496939763 /nfs/dbraw/zinc/93/97/63/496939763.db2.gz ILQTWLVMFHKRDH-RTBURBONSA-N 0 3 351.475 3.477 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCSCc1ccccc1C#N ZINC000195635975 496955303 /nfs/dbraw/zinc/95/53/03/496955303.db2.gz SCCANVLBAWZAAS-SJORKVTESA-N 0 3 374.554 3.211 20 30 FGEDHN COc1ccc(CN(C)C2CCN(C(=O)c3ccccc3)CC2)cc1C#N ZINC000269731555 496995742 /nfs/dbraw/zinc/99/57/42/496995742.db2.gz XXNUSOFFOOUUOT-UHFFFAOYSA-N 0 3 363.461 3.303 20 30 FGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1COc2ccccc21 ZINC000248569966 497042502 /nfs/dbraw/zinc/04/25/02/497042502.db2.gz FUURJVWAFOPZDO-FORLLKFCSA-N 0 3 369.509 3.460 20 30 FGEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274275244 497058015 /nfs/dbraw/zinc/05/80/15/497058015.db2.gz SKFJZTHHZVJHPX-AWEZNQCLSA-N 0 3 351.410 3.499 20 30 FGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000248741225 497095000 /nfs/dbraw/zinc/09/50/00/497095000.db2.gz AAZDXWVUSQQDJD-KBMXLJTQSA-N 0 3 365.399 3.478 20 30 FGEDHN N#Cc1cc2c(nc1NCc1ccccc1CN1CCC(O)CC1)CCC2 ZINC000266200663 497278419 /nfs/dbraw/zinc/27/84/19/497278419.db2.gz DGEQENCGKPELDJ-UHFFFAOYSA-N 0 3 362.477 3.011 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(C)nc1-c1ccoc1)C(C)C ZINC000569305456 505902245 /nfs/dbraw/zinc/90/22/45/505902245.db2.gz PSVNRQDOWQHZJB-GOSISDBHSA-N 0 3 356.470 3.109 20 30 FGEDHN N#Cc1c(F)cccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000190223895 497405278 /nfs/dbraw/zinc/40/52/78/497405278.db2.gz HVKOYBPISGYNAK-UHFFFAOYSA-N 0 3 367.424 3.154 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccco1 ZINC000279438328 497438794 /nfs/dbraw/zinc/43/87/94/497438794.db2.gz FBUBXBXQBKLOMJ-OALUTQOASA-N 0 3 364.449 3.033 20 30 FGEDHN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000271827301 497462006 /nfs/dbraw/zinc/46/20/06/497462006.db2.gz DGYUGKIWIZABAD-QGZVFWFLSA-N 0 3 362.477 3.078 20 30 FGEDHN N#Cc1cc(F)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000193836537 497496869 /nfs/dbraw/zinc/49/68/69/497496869.db2.gz JLIOQTNRDJFLLB-OAHLLOKOSA-N 0 3 355.388 3.088 20 30 FGEDHN N=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1cc(F)ccc1F ZINC000262277813 497533251 /nfs/dbraw/zinc/53/32/51/497533251.db2.gz JZZGIBZFNYUZEQ-UHFFFAOYSA-N 0 3 358.392 3.014 20 30 FGEDHN Cc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)nn1CCC#N ZINC000272107603 497538155 /nfs/dbraw/zinc/53/81/55/497538155.db2.gz PTOHHOYRMBVOFW-SFHVURJKSA-N 0 3 366.469 3.064 20 30 FGEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC2 ZINC000190613917 497546740 /nfs/dbraw/zinc/54/67/40/497546740.db2.gz DHDDBIIKQZVMPA-KSFYIVLOSA-N 0 3 359.473 3.499 20 30 FGEDHN CCN(Cc1ccc2c(c1)OCO2)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279833605 497557823 /nfs/dbraw/zinc/55/78/23/497557823.db2.gz ZEHCIANQDWVTKI-SFHVURJKSA-N 0 3 361.401 3.018 20 30 FGEDHN Cc1cc(C(=O)C(C(=S)[N-]C[C@@H]2CCCO2)[n+]2ccccc2)ccc1F ZINC000267483770 497564976 /nfs/dbraw/zinc/56/49/76/497564976.db2.gz UUJVADXTJXSEOD-INIZCTEOSA-O 0 3 373.473 3.129 20 30 FGEDHN C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(C#N)s1 ZINC000245909794 497568417 /nfs/dbraw/zinc/56/84/17/497568417.db2.gz MIHJNUTZECCTNU-VDZJLULYSA-N 0 3 355.507 3.153 20 30 FGEDHN COCCOc1ccccc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000267579412 497582576 /nfs/dbraw/zinc/58/25/76/497582576.db2.gz FWMSNWHZSPVUPA-UHFFFAOYSA-N 0 3 365.477 3.342 20 30 FGEDHN CN1CCc2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2C1=O ZINC000272294210 497588764 /nfs/dbraw/zinc/58/87/64/497588764.db2.gz SJRDLUNJBJEQTK-UHFFFAOYSA-N 0 3 374.488 3.263 20 30 FGEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000279958157 497601756 /nfs/dbraw/zinc/60/17/56/497601756.db2.gz PLTNDOGPRPCZJV-CALCHBBNSA-N 0 3 357.498 3.107 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC000272425143 497624846 /nfs/dbraw/zinc/62/48/46/497624846.db2.gz DTQWFXFZQRYNHG-MJGOQNOKSA-N 0 3 354.498 3.375 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)CC1 ZINC000276687931 497628806 /nfs/dbraw/zinc/62/88/06/497628806.db2.gz DZFJXOMLJYMKTK-UHFFFAOYSA-N 0 3 370.884 3.372 20 30 FGEDHN CC(C)(CNC(=O)N1CCC(C)(C#N)CC1)N1CCc2ccccc2C1 ZINC000272461472 497635076 /nfs/dbraw/zinc/63/50/76/497635076.db2.gz VHWOFKQOGAWKGY-UHFFFAOYSA-N 0 3 354.498 3.159 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1(F)CCOCC1 ZINC000569379946 505921532 /nfs/dbraw/zinc/92/15/32/505921532.db2.gz WZJYSCSTPMTACX-UHFFFAOYSA-N 0 3 368.522 3.103 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194425225 497663160 /nfs/dbraw/zinc/66/31/60/497663160.db2.gz ZWBRSWKNIYLUBF-SFHVURJKSA-N 0 3 365.905 3.367 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000272572244 497666130 /nfs/dbraw/zinc/66/61/30/497666130.db2.gz QTTKZPQJOVOEIT-UHFFFAOYSA-N 0 3 358.873 3.214 20 30 FGEDHN Cc1nc2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)ccc2o1 ZINC000280334825 497723239 /nfs/dbraw/zinc/72/32/39/497723239.db2.gz HMPUFRQRXDLOKS-UHFFFAOYSA-N 0 3 362.433 3.212 20 30 FGEDHN CCN1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421434 497729672 /nfs/dbraw/zinc/72/96/72/497729672.db2.gz BWDWOXFRABQCFO-FXAWDEMLSA-N 0 3 366.509 3.400 20 30 FGEDHN Cc1ccc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000280408439 497743666 /nfs/dbraw/zinc/74/36/66/497743666.db2.gz LGQXKPZOQDCQAH-KDOFPFPSSA-N 0 3 362.389 3.335 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)CCc1nnc(C2CCCC2)o1)C(C)C ZINC000268480468 497761346 /nfs/dbraw/zinc/76/13/46/497761346.db2.gz JJQFLHYHDMFURT-GOSISDBHSA-N 0 3 374.529 3.475 20 30 FGEDHN Cn1cc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C#N ZINC000191299485 497773473 /nfs/dbraw/zinc/77/34/73/497773473.db2.gz CTAJHQACWOYRCA-INIZCTEOSA-N 0 3 365.412 3.465 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(NC(=O)OC)c2C)CC1 ZINC000280605351 497822915 /nfs/dbraw/zinc/82/29/15/497822915.db2.gz FHMTWFCIHMNDDS-UHFFFAOYSA-N 0 3 360.458 3.335 20 30 FGEDHN C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000295894130 497844794 /nfs/dbraw/zinc/84/47/94/497844794.db2.gz HZQVKPWCNGYWQI-MOPGFXCFSA-N 0 3 367.497 3.026 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000280701840 497864019 /nfs/dbraw/zinc/86/40/19/497864019.db2.gz GVKZJMQZDYDWOP-UHFFFAOYSA-N 0 3 352.438 3.242 20 30 FGEDHN Cc1cccc(NC(=O)NC(=O)CN2C[C@@H]3CCCCN3C[C@H]2C)c1C ZINC000329678218 497865897 /nfs/dbraw/zinc/86/58/97/497865897.db2.gz WXKKCCYRYSKZLS-WBVHZDCISA-N 0 3 358.486 3.364 20 30 FGEDHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329680555 497867727 /nfs/dbraw/zinc/86/77/27/497867727.db2.gz RKZUSRKUVNSSJN-HCXYKTFWSA-N 0 3 371.529 3.303 20 30 FGEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000329701506 497874845 /nfs/dbraw/zinc/87/48/45/497874845.db2.gz HKIFPQMKUCTJMB-YLJYHZDGSA-N 0 3 371.525 3.459 20 30 FGEDHN CN1CCC2(CC1)C[C@H](NC(=O)[C@@H]1C[C@]13CCOC3)c1ccccc1O2 ZINC000329740074 497885841 /nfs/dbraw/zinc/88/58/41/497885841.db2.gz NWXCYCXYNKFNSE-ZWOKBUDYSA-N 0 3 356.466 3.358 20 30 FGEDHN C[C@@H]1CC[C@H](C)N(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000329771394 497896129 /nfs/dbraw/zinc/89/61/29/497896129.db2.gz JUKPZPIEGORBOW-KGLIPLIRSA-N 0 3 361.442 3.470 20 30 FGEDHN CC(C)c1nnc(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)s1 ZINC000329856947 497929810 /nfs/dbraw/zinc/92/98/10/497929810.db2.gz YSRZZXOVURWEQL-UHFFFAOYSA-N 0 3 365.547 3.272 20 30 FGEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000329928124 497956731 /nfs/dbraw/zinc/95/67/31/497956731.db2.gz MEMHKHLITSQPOX-AWEZNQCLSA-N 0 3 359.861 3.242 20 30 FGEDHN CN(CC(=O)NC(=O)NC1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000329941963 497962933 /nfs/dbraw/zinc/96/29/33/497962933.db2.gz CNJXRISYAABREU-IBGZPJMESA-N 0 3 372.513 3.396 20 30 FGEDHN COc1ccccc1C(=O)C(C(=S)[N-]C1CCC1)[n+]1cccc(C)c1 ZINC000292334667 497974577 /nfs/dbraw/zinc/97/45/77/497974577.db2.gz OAASHYVACYAELJ-UHFFFAOYSA-O 0 3 355.483 3.372 20 30 FGEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1CCC2(CCCCC2)O1 ZINC000330056932 498007406 /nfs/dbraw/zinc/00/74/06/498007406.db2.gz WQCFDTGJERNUGF-ZWKOTPCHSA-N 0 3 360.502 3.452 20 30 FGEDHN CN(C)CCNC(=O)c1cccc(CNc2ccc(C#N)c(Cl)c2)c1 ZINC000301225915 498007713 /nfs/dbraw/zinc/00/77/13/498007713.db2.gz BRIZGLYXXNRWOF-UHFFFAOYSA-N 0 3 356.857 3.115 20 30 FGEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330068142 498009403 /nfs/dbraw/zinc/00/94/03/498009403.db2.gz GDPNZMNXUMXUSC-MUIFIZLQSA-N 0 3 359.532 3.386 20 30 FGEDHN C#CCNC(=O)c1ccc(NC2CCN([C@H](C)c3ccccc3)CC2)nc1 ZINC000301312690 498051884 /nfs/dbraw/zinc/05/18/84/498051884.db2.gz JDHFOVAMYPIPOS-QGZVFWFLSA-N 0 3 362.477 3.082 20 30 FGEDHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000301324078 498057428 /nfs/dbraw/zinc/05/74/28/498057428.db2.gz XAPVRYYADJSHOK-KSSFIOAISA-N 0 3 351.410 3.184 20 30 FGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000296539998 498086505 /nfs/dbraw/zinc/08/65/05/498086505.db2.gz QWUFXWWCSRGIKX-INIZCTEOSA-N 0 3 372.490 3.311 20 30 FGEDHN CC[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1C[C@@H](C)O ZINC000301402265 498094096 /nfs/dbraw/zinc/09/40/96/498094096.db2.gz JKJSOQGJJRGTJS-CJNGLKHVSA-N 0 3 358.873 3.041 20 30 FGEDHN O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000330299040 498097529 /nfs/dbraw/zinc/09/75/29/498097529.db2.gz LZZKDVXYKZNHKZ-HKUYNNGSSA-N 0 3 361.530 3.389 20 30 FGEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(Br)cc1F ZINC000285576295 498134598 /nfs/dbraw/zinc/13/45/98/498134598.db2.gz IFQNANLJUZAITH-LLVKDONJSA-N 0 3 356.239 3.001 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@H](C)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000292757921 498136650 /nfs/dbraw/zinc/13/66/50/498136650.db2.gz BRGHWIWCPIJNQA-KRWDZBQOSA-N 0 3 360.473 3.096 20 30 FGEDHN Cn1cc(CN2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1C#N ZINC000364829815 498163813 /nfs/dbraw/zinc/16/38/13/498163813.db2.gz GOFLOBMXNDPQCJ-JQHSSLGASA-N 0 3 358.486 3.022 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000281492426 498169629 /nfs/dbraw/zinc/16/96/29/498169629.db2.gz HTEYVNNXNZCPCX-TZIWHRDSSA-N 0 3 358.445 3.344 20 30 FGEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000330710445 498178599 /nfs/dbraw/zinc/17/85/99/498178599.db2.gz PFSAUTNSRQNRSM-GFCCVEGCSA-N 0 3 374.407 3.230 20 30 FGEDHN CSC[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000292892315 498187088 /nfs/dbraw/zinc/18/70/88/498187088.db2.gz ZBPHCKQORAHMGT-MRXNPFEDSA-N 0 3 355.511 3.434 20 30 FGEDHN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330910853 498216752 /nfs/dbraw/zinc/21/67/52/498216752.db2.gz PWHHNJIBTSOEDX-YQVWRLOYSA-N 0 3 359.514 3.313 20 30 FGEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000330983157 498230126 /nfs/dbraw/zinc/23/01/26/498230126.db2.gz KFZVFPJNLDKLRF-YJYMSZOUSA-N 0 3 363.889 3.317 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000581495857 506001455 /nfs/dbraw/zinc/00/14/55/506001455.db2.gz TXFUSGGXWZTMGS-FUHIMQAGSA-N 0 3 363.461 3.105 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285987411 498260004 /nfs/dbraw/zinc/26/00/04/498260004.db2.gz XNMWHOPEPVGPFB-SJBKTWHCSA-N 0 3 354.494 3.092 20 30 FGEDHN Cc1sc(NC(=O)CN[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c(C#N)c1C ZINC000331188256 498272184 /nfs/dbraw/zinc/27/21/84/498272184.db2.gz JNDOBIOPZAMIOE-BUXKBTBVSA-N 0 3 363.527 3.342 20 30 FGEDHN Cc1cc(C)c(Br)c(C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000331343742 498306408 /nfs/dbraw/zinc/30/64/08/498306408.db2.gz ULYIWUWUEXUYCU-AWEZNQCLSA-N 0 3 369.303 3.217 20 30 FGEDHN COc1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1C#N ZINC000282006138 498353343 /nfs/dbraw/zinc/35/33/43/498353343.db2.gz JEIRVVWIHAHVAQ-QGZVFWFLSA-N 0 3 350.466 3.479 20 30 FGEDHN CC1(C)CN(c2cc(C#N)ncn2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000581589082 506022514 /nfs/dbraw/zinc/02/25/14/506022514.db2.gz FBAODJWSTGDFNW-OAQYLSRUSA-N 0 3 361.493 3.475 20 30 FGEDHN CCN(CCCC1(C#N)CCOCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000282076661 498378707 /nfs/dbraw/zinc/37/87/07/498378707.db2.gz UAOCRYWPYUYUNV-LJQANCHMSA-N 0 3 355.482 3.214 20 30 FGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331657367 498411040 /nfs/dbraw/zinc/41/10/40/498411040.db2.gz XSEDXSJWONUPDJ-KRUJCJHPSA-N 0 3 355.482 3.147 20 30 FGEDHN CN1CCC(Oc2ccc(CNc3nc4ccccn4c3C#N)cc2)CC1 ZINC000286533649 498427862 /nfs/dbraw/zinc/42/78/62/498427862.db2.gz SJFHKVOEAPWPHL-UHFFFAOYSA-N 0 3 361.449 3.291 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2c3ccccc3CC23CCOCC3)CCCCC1 ZINC000290104370 498430386 /nfs/dbraw/zinc/43/03/86/498430386.db2.gz IYXFCRAPQLZUJO-HXUWFJFHSA-N 0 3 367.493 3.013 20 30 FGEDHN N#CC(CCN1CC[C@@H](n2cncn2)C1)(c1ccccc1)c1ccccc1 ZINC000365636771 498571547 /nfs/dbraw/zinc/57/15/47/498571547.db2.gz SIHNTIDXMPBSFX-OAQYLSRUSA-N 0 3 357.461 3.425 20 30 FGEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000287006329 498588495 /nfs/dbraw/zinc/58/84/95/498588495.db2.gz LTYURPIWWMSJNQ-INIZCTEOSA-N 0 3 366.465 3.403 20 30 FGEDHN COC[C@H](C)OC[C@@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000365713958 498611135 /nfs/dbraw/zinc/61/11/35/498611135.db2.gz UNYGHYHZMGDLJG-JKSBSHDWSA-N 0 3 368.477 3.288 20 30 FGEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000282758780 498643201 /nfs/dbraw/zinc/64/32/01/498643201.db2.gz BJMNIXMDYOUKEE-IRNNPGBSSA-N 0 3 359.473 3.441 20 30 FGEDHN CN(C)C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000282799546 498659144 /nfs/dbraw/zinc/65/91/44/498659144.db2.gz GXKOPIBENTVIAM-LJQANCHMSA-N 0 3 371.868 3.204 20 30 FGEDHN Cc1cc(C)cc([C@@H](O)CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000282991832 498737889 /nfs/dbraw/zinc/73/78/89/498737889.db2.gz MYXWVLUREMJCLL-NRFANRHFSA-N 0 3 360.461 3.399 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccc(C)cc3C)C2)CC1 ZINC000363281914 498743980 /nfs/dbraw/zinc/74/39/80/498743980.db2.gz FCQVHJILYRWIFT-FQEVSTJZSA-N 0 3 357.498 3.037 20 30 FGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 ZINC000294746233 498792007 /nfs/dbraw/zinc/79/20/07/498792007.db2.gz VOXNJDUSPQEIAA-URKNILKWSA-N 0 3 365.458 3.121 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000294884256 498837094 /nfs/dbraw/zinc/83/70/94/498837094.db2.gz ZQXPNDLPMNAMHY-LLVKDONJSA-N 0 3 373.806 3.276 20 30 FGEDHN CS(=O)(=O)CC1CCC(NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000294926142 498851634 /nfs/dbraw/zinc/85/16/34/498851634.db2.gz XGQVVOBSAOXHRQ-UHFFFAOYSA-N 0 3 373.440 3.250 20 30 FGEDHN CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000294935937 498854168 /nfs/dbraw/zinc/85/41/68/498854168.db2.gz BYJNYIACMAPNNB-RDJZCZTQSA-N 0 3 352.438 3.221 20 30 FGEDHN C#CCCN1CCC(NC(=O)Cc2csc(-c3cccc(C)c3)n2)CC1 ZINC000363554172 498875539 /nfs/dbraw/zinc/87/55/39/498875539.db2.gz CACNNFQAOGTJLB-UHFFFAOYSA-N 0 3 367.518 3.265 20 30 FGEDHN O=C(CN[C@H]1CCC(=O)NC12CCC2)Nc1ccc2c(c1)OCCCO2 ZINC000328688765 498902964 /nfs/dbraw/zinc/90/29/64/498902964.db2.gz HTTLPAXYLGGGIV-INIZCTEOSA-N 0 3 359.426 3.067 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccc(OC3CCCC3)cc2)cc1 ZINC000581997917 506109515 /nfs/dbraw/zinc/10/95/15/506109515.db2.gz KHDIMNGXVMRPTR-IBGZPJMESA-N 0 3 366.461 3.409 20 30 FGEDHN C#CCN1CCC(C(=O)NC23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)CC1 ZINC000363690684 498946194 /nfs/dbraw/zinc/94/61/94/498946194.db2.gz QGDCYZNJTCQLDT-MYMYQCDVSA-N 0 3 368.443 3.349 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@H](C2CCOCC2)C1 ZINC000328830081 498953029 /nfs/dbraw/zinc/95/30/29/498953029.db2.gz KJIWXFNEEWIMFO-PVAVHDDUSA-N 0 3 351.491 3.184 20 30 FGEDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)N(C)C1 ZINC000328952023 498997402 /nfs/dbraw/zinc/99/74/02/498997402.db2.gz CTUPMZXGKSPDCQ-YQQAZPJKSA-N 0 3 363.502 3.166 20 30 FGEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000328958327 498998866 /nfs/dbraw/zinc/99/88/66/498998866.db2.gz JRWWUVOMKXXWGB-QLFBSQMISA-N 0 3 369.387 3.155 20 30 FGEDHN N#CCOc1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000291710431 499043882 /nfs/dbraw/zinc/04/38/82/499043882.db2.gz INUQRVYXSGYHDT-QFIPXVFZSA-N 0 3 350.462 3.406 20 30 FGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291784630 499066729 /nfs/dbraw/zinc/06/67/29/499066729.db2.gz XVMJHWBZZPQEPO-DDUZABMNSA-N 0 3 350.374 3.220 20 30 FGEDHN CCCCOc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000284288146 499083349 /nfs/dbraw/zinc/08/33/49/499083349.db2.gz KCMCTEUOPDQOSZ-MVZUJROASA-N 0 3 357.454 3.043 20 30 FGEDHN C[C@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1=CCN(C)CC1 ZINC000329321858 499098731 /nfs/dbraw/zinc/09/87/31/499098731.db2.gz UNGWESCXGWQVAQ-SUMWQHHRSA-N 0 3 361.873 3.300 20 30 FGEDHN Cc1cc(NC(=O)N2CCN3CCC[C@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329369452 499110262 /nfs/dbraw/zinc/11/02/62/499110262.db2.gz IHJPXMDVVCIJIL-AEFFLSMTSA-N 0 3 357.502 3.094 20 30 FGEDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@H]1C1CCOCC1 ZINC000329446776 499122676 /nfs/dbraw/zinc/12/26/76/499122676.db2.gz MBFDJSRTQNZAKV-PVAVHDDUSA-N 0 3 351.491 3.327 20 30 FGEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000329506425 499128465 /nfs/dbraw/zinc/12/84/65/499128465.db2.gz LNEXASBDFBNCFL-DLBZAZTESA-N 0 3 371.460 3.230 20 30 FGEDHN C[C@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCCOC1 ZINC000329514670 499128751 /nfs/dbraw/zinc/12/87/51/499128751.db2.gz OFPICJBRHNWRFK-DLBZAZTESA-N 0 3 369.575 3.057 20 30 FGEDHN C[C@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CCCOC1 ZINC000329514671 499128768 /nfs/dbraw/zinc/12/87/68/499128768.db2.gz OFPICJBRHNWRFK-IRXDYDNUSA-N 0 3 369.575 3.057 20 30 FGEDHN CN1CCC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H]1c1cccs1 ZINC000329522366 499129053 /nfs/dbraw/zinc/12/90/53/499129053.db2.gz PJKLMAXAAUFKKZ-MISMHTLLSA-N 0 3 364.511 3.139 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](c2ccncn2)C1)C(C)C ZINC000367258575 499169365 /nfs/dbraw/zinc/16/93/65/499169365.db2.gz QYTJYYTWWJRIHW-ICSRJNTNSA-N 0 3 371.529 3.064 20 30 FGEDHN C=CCN(Cc1nc([C@@H](C)OC)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000370037425 499169592 /nfs/dbraw/zinc/16/95/92/499169592.db2.gz NGIFDKMMQJLLKJ-AEFFLSMTSA-N 0 3 356.470 3.040 20 30 FGEDHN N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000367310784 499178742 /nfs/dbraw/zinc/17/87/42/499178742.db2.gz VLYQFOYQYJKRCR-RTBURBONSA-N 0 3 359.433 3.214 20 30 FGEDHN N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000367310784 499178743 /nfs/dbraw/zinc/17/87/43/499178743.db2.gz VLYQFOYQYJKRCR-RTBURBONSA-N 0 3 359.433 3.214 20 30 FGEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000367310784 499178746 /nfs/dbraw/zinc/17/87/46/499178746.db2.gz VLYQFOYQYJKRCR-RTBURBONSA-N 0 3 359.433 3.214 20 30 FGEDHN COCc1nccc([C@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000367418271 499196795 /nfs/dbraw/zinc/19/67/95/499196795.db2.gz GUWXYOSZEUIUFT-AEFFLSMTSA-N 0 3 366.465 3.293 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H](c2ccccn2)C2CCCC2)cc1 ZINC000367646240 499220933 /nfs/dbraw/zinc/22/09/33/499220933.db2.gz QIBFZTVWJKINDJ-WIYYLYMNSA-N 0 3 351.450 3.214 20 30 FGEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(c2cccnn2)CC1 ZINC000370443009 499221235 /nfs/dbraw/zinc/22/12/35/499221235.db2.gz YTXHRHSXQMRYDA-UHFFFAOYSA-N 0 3 374.410 3.448 20 30 FGEDHN Cc1cc(C(=O)NC2CCN(Cc3ccccc3C(C)(C)C#N)CC2)no1 ZINC000370734735 499249493 /nfs/dbraw/zinc/24/94/93/499249493.db2.gz KXRWNPWRSPXSHH-UHFFFAOYSA-N 0 3 366.465 3.179 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000573197476 506141255 /nfs/dbraw/zinc/14/12/55/506141255.db2.gz ARQLEDSOBDBEPK-XZJROXQQSA-N 0 3 357.281 3.494 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000368172180 499271013 /nfs/dbraw/zinc/27/10/13/499271013.db2.gz ZJZHKSUNTGCKQZ-REWPJTCUSA-N 0 3 371.440 3.237 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368805061 499334519 /nfs/dbraw/zinc/33/45/19/499334519.db2.gz KOFNBAURJZTXPB-HNNXBMFYSA-N 0 3 369.490 3.168 20 30 FGEDHN C=CCN(C(=O)NCc1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368925324 499347274 /nfs/dbraw/zinc/34/72/74/499347274.db2.gz RFMRNFXQXHHOHZ-FQEVSTJZSA-N 0 3 350.466 3.054 20 30 FGEDHN CC(C)[C@H](C(=O)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1)N(C)C ZINC000371985285 499386957 /nfs/dbraw/zinc/38/69/57/499386957.db2.gz FFRBFPDOGJGNRT-CXAGYDPISA-N 0 3 356.495 3.445 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCC3(CCOCC3)CC2)cc1 ZINC000369378156 499397719 /nfs/dbraw/zinc/39/77/19/499397719.db2.gz DYFINQHTQFDZNL-GOSISDBHSA-N 0 3 351.450 3.096 20 30 FGEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1ccccc1 ZINC000372291129 499417157 /nfs/dbraw/zinc/41/71/57/499417157.db2.gz GKKIWZIGRIFLBV-RMVXJAJNSA-N 0 3 356.510 3.352 20 30 FGEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(F)c(C#N)c1Cl ZINC000369635185 499429252 /nfs/dbraw/zinc/42/92/52/499429252.db2.gz CCTDSZYMNMJBQA-ZDUSSCGKSA-N 0 3 351.853 3.036 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1OCCCC#N ZINC000369683711 499436139 /nfs/dbraw/zinc/43/61/39/499436139.db2.gz OEWSTVFDRIALAH-SFHVURJKSA-N 0 3 368.481 3.491 20 30 FGEDHN Cn1cc(CN[C@@H]2CN(C)Cc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000373197037 499456810 /nfs/dbraw/zinc/45/68/10/499456810.db2.gz CNJCEMFDZNMPLA-OAQYLSRUSA-N 0 3 357.461 3.235 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373419956 499468817 /nfs/dbraw/zinc/46/88/17/499468817.db2.gz XHFGCHAIXBJMAT-BHUNQDJPSA-N 0 3 374.447 3.279 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000375447498 499520317 /nfs/dbraw/zinc/52/03/17/499520317.db2.gz HXBGFTZIHWRRND-GRVMKYMCSA-N 0 3 355.482 3.291 20 30 FGEDHN N#CC1(NC(=O)CN[C@H](c2ccccc2)C2CCOCC2)CCCCC1 ZINC000378466699 499520735 /nfs/dbraw/zinc/52/07/35/499520735.db2.gz MCPXJNQCZDOZCR-HXUWFJFHSA-N 0 3 355.482 3.087 20 30 FGEDHN COc1cc(C#N)ccc1CN[C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000375516180 499527555 /nfs/dbraw/zinc/52/75/55/499527555.db2.gz YMRBOCQDNXIBBF-LIRRHRJNSA-N 0 3 370.522 3.332 20 30 FGEDHN CC1(C#N)CCN(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)CC1 ZINC000378592788 499535435 /nfs/dbraw/zinc/53/54/35/499535435.db2.gz CRAGCYINOGHTCE-IBGZPJMESA-N 0 3 354.498 3.029 20 30 FGEDHN CC(C)N1CCN(CCCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000375594678 499536157 /nfs/dbraw/zinc/53/61/57/499536157.db2.gz BPZUMNFEABHFPK-VXKWHMMOSA-N 0 3 354.542 3.174 20 30 FGEDHN Cc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1C#N ZINC000378613587 499537842 /nfs/dbraw/zinc/53/78/42/499537842.db2.gz ZVXGVCGZRNZADS-UXHICEINSA-N 0 3 360.461 3.141 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000375665516 499543051 /nfs/dbraw/zinc/54/30/51/499543051.db2.gz MYMNHLBQKQYJTF-UXHICEINSA-N 0 3 366.461 3.044 20 30 FGEDHN N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000380685859 499544251 /nfs/dbraw/zinc/54/42/51/499544251.db2.gz KVXJPJXCQQAACA-OALUTQOASA-N 0 3 362.433 3.425 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCCN(c3ccncn3)C2)cc1 ZINC000376463414 499610393 /nfs/dbraw/zinc/61/03/93/499610393.db2.gz MHZBJMIWQYODJD-IEBWSBKVSA-N 0 3 351.454 3.089 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409721355 499617744 /nfs/dbraw/zinc/61/77/44/499617744.db2.gz PTGZIHSHCCZAOM-UHFFFAOYSA-N 0 3 373.382 3.412 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC23CCC(CC2)C3)cc1 ZINC000376625240 499624161 /nfs/dbraw/zinc/62/41/61/499624161.db2.gz AHKADZRHMWVFCE-VNSJNIRKSA-N 0 3 361.467 3.074 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC23CCCCC3)cc1 ZINC000376631806 499624782 /nfs/dbraw/zinc/62/47/82/499624782.db2.gz XQWNFIYPSBOVOE-AWEZNQCLSA-N 0 3 361.467 3.313 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)OCC ZINC000376972115 499650577 /nfs/dbraw/zinc/65/05/77/499650577.db2.gz PCBTUFFKAMBMEP-UYSNPLJNSA-N 0 3 362.436 3.279 20 30 FGEDHN Cn1ncc(C(=O)N(CCCN2CCCC2)c2ccc(Cl)cc2)c1C#N ZINC000411096493 499697799 /nfs/dbraw/zinc/69/77/99/499697799.db2.gz ADEBAKHTIGHQKX-UHFFFAOYSA-N 0 3 371.872 3.078 20 30 FGEDHN Cn1cc(CN2CCC(c3ccncn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000411828365 499795384 /nfs/dbraw/zinc/79/53/84/499795384.db2.gz OZVOBCFCFVFPBZ-UHFFFAOYSA-N 0 3 358.449 3.128 20 30 FGEDHN C=CCC[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)OCC ZINC000412390816 499851140 /nfs/dbraw/zinc/85/11/40/499851140.db2.gz BPRDLYHMGKZJHA-LJQANCHMSA-N 0 3 358.482 3.300 20 30 FGEDHN CCO[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000413176466 499922957 /nfs/dbraw/zinc/92/29/57/499922957.db2.gz KWOKYMLBAKUCGW-NRFANRHFSA-N 0 3 365.477 3.226 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879091 499923832 /nfs/dbraw/zinc/92/38/32/499923832.db2.gz AKYWWHIULBUSJE-UHFFFAOYSA-N 0 3 366.421 3.461 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000416091617 499947546 /nfs/dbraw/zinc/94/75/46/499947546.db2.gz AJMKCWJIGHTPHX-PZJWPPBQSA-N 0 3 354.413 3.306 20 30 FGEDHN N#C[C@@H](NC(=O)CCN1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000416150523 499959756 /nfs/dbraw/zinc/95/97/56/499959756.db2.gz KKTJSPCKFRXXLT-LJQANCHMSA-N 0 3 353.853 3.469 20 30 FGEDHN CN(C)C1(CN(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)CCC1 ZINC000428941868 499964794 /nfs/dbraw/zinc/96/47/94/499964794.db2.gz LABCMGOWWKOZQW-UHFFFAOYSA-N 0 3 365.481 3.020 20 30 FGEDHN C[C@@H]1CN(Cc2cccc(CNCc3ccc(C#N)c(F)c3)c2)CCO1 ZINC000421319904 500016349 /nfs/dbraw/zinc/01/63/49/500016349.db2.gz BFGKHURSIZLFDL-MRXNPFEDSA-N 0 3 353.441 3.208 20 30 FGEDHN N#Cc1c2c(cnc1N1C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C1)CCC2 ZINC000425266033 500060524 /nfs/dbraw/zinc/06/05/24/500060524.db2.gz GRONBHKCMMYKHE-PMACEKPBSA-N 0 3 358.489 3.400 20 30 FGEDHN CC(C)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000417421150 500068961 /nfs/dbraw/zinc/06/89/61/500068961.db2.gz LNUUELBYJLIBQH-INIZCTEOSA-N 0 3 370.419 3.218 20 30 FGEDHN C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N1CCCC[C@H]1C ZINC000416678225 500083603 /nfs/dbraw/zinc/08/36/03/500083603.db2.gz GGPCTPSGFZMGJL-JXXFODFXSA-N 0 3 354.498 3.498 20 30 FGEDHN C[C@@H](C#N)CN(C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000429496467 500088322 /nfs/dbraw/zinc/08/83/22/500088322.db2.gz YBDOZFBNFBLHRI-QFBILLFUSA-N 0 3 356.514 3.260 20 30 FGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416692977 500089011 /nfs/dbraw/zinc/08/90/11/500089011.db2.gz SIKGHVCOGLEIGC-GUXCAODWSA-N 0 3 354.498 3.355 20 30 FGEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429521483 500092894 /nfs/dbraw/zinc/09/28/94/500092894.db2.gz RANACMWXQBIVSV-HZPDHXFCSA-N 0 3 361.511 3.374 20 30 FGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(C)cc1Br ZINC000429728770 500133243 /nfs/dbraw/zinc/13/32/43/500133243.db2.gz XUXLBVLTEVIGGR-UHFFFAOYSA-N 0 3 368.319 3.136 20 30 FGEDHN C=C(CNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1)c1ccccc1 ZINC000417684550 500148468 /nfs/dbraw/zinc/14/84/68/500148468.db2.gz NXTSWJZVJICRQV-UHFFFAOYSA-N 0 3 369.465 3.471 20 30 FGEDHN CCN(CC)[C@@H](CNC(=O)NCC1(CC#N)CC1)c1cccc(OC)c1 ZINC000430193462 500206833 /nfs/dbraw/zinc/20/68/33/500206833.db2.gz ROFVFIGKBQGXCQ-SFHVURJKSA-N 0 3 358.486 3.071 20 30 FGEDHN C[C@H]1CCCCN1Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000570504512 506182748 /nfs/dbraw/zinc/18/27/48/506182748.db2.gz HZHLHKOOZSERRS-HNNXBMFYSA-N 0 3 373.478 3.004 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)[C@@H](CC)CO)CC1 ZINC000430377843 500233070 /nfs/dbraw/zinc/23/30/70/500233070.db2.gz PBHCWTABXBBXDY-FQEVSTJZSA-N 0 3 359.514 3.010 20 30 FGEDHN C[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000430407741 500236674 /nfs/dbraw/zinc/23/66/74/500236674.db2.gz XQFCDNQPGAACLH-MTNREXPMSA-N 0 3 361.489 3.498 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)NCC2(CC#N)CC2)c2ccccc2)CC1 ZINC000430430904 500239240 /nfs/dbraw/zinc/23/92/40/500239240.db2.gz MFTBAKXMIWWCJA-IBGZPJMESA-N 0 3 354.498 3.453 20 30 FGEDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCc2ccc(C#N)c(F)c2)cc1 ZINC000418269622 500258167 /nfs/dbraw/zinc/25/81/67/500258167.db2.gz SVJCYPIXYYCINE-IBGZPJMESA-N 0 3 354.429 3.320 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426591602 500292546 /nfs/dbraw/zinc/29/25/46/500292546.db2.gz SAQCNPMAAUDGOK-QGZVFWFLSA-N 0 3 364.440 3.209 20 30 FGEDHN CN(C(=O)CNc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000426876236 500331928 /nfs/dbraw/zinc/33/19/28/500331928.db2.gz RXBCNGBWLYEJLA-NRFANRHFSA-N 0 3 362.477 3.093 20 30 FGEDHN C=CCOc1ccc(Br)cc1N[C@@H](C)C[C@H]1COCCN1 ZINC000423173389 500351401 /nfs/dbraw/zinc/35/14/01/500351401.db2.gz YIUNOVGDGWROQD-JSGCOSHPSA-N 0 3 355.276 3.193 20 30 FGEDHN Cc1ncccc1OC[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000419403947 500362651 /nfs/dbraw/zinc/36/26/51/500362651.db2.gz SEVNQGVSWZKZNJ-INIZCTEOSA-N 0 3 370.478 3.195 20 30 FGEDHN C=C[C@](C)(O)CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000431851139 500433893 /nfs/dbraw/zinc/43/38/93/500433893.db2.gz ZQCWKNVKSOHKBX-NRFANRHFSA-N 0 3 356.510 3.361 20 30 FGEDHN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H](N)CCCC#N ZINC000424083521 500449629 /nfs/dbraw/zinc/44/96/29/500449629.db2.gz CWVZJAAETOKYRU-OAHLLOKOSA-N 0 3 352.276 3.207 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000424084615 500450263 /nfs/dbraw/zinc/45/02/63/500450263.db2.gz CBEVWJJPDNQSKI-SNVBAGLBSA-N 0 3 372.372 3.197 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000424092439 500451707 /nfs/dbraw/zinc/45/17/07/500451707.db2.gz PBFAFJJVLYFTHI-CVEARBPZSA-N 0 3 364.287 3.428 20 30 FGEDHN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424094244 500451855 /nfs/dbraw/zinc/45/18/55/500451855.db2.gz LHCYIVFUFWWJEK-INIZCTEOSA-N 0 3 353.470 3.438 20 30 FGEDHN CCOc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc2)cc1 ZINC000424098307 500452856 /nfs/dbraw/zinc/45/28/56/500452856.db2.gz SPYYFNSTFJTHQB-VQTJNVASSA-N 0 3 351.450 3.312 20 30 FGEDHN C=CCn1c(C2CCC2)nnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424113222 500455838 /nfs/dbraw/zinc/45/58/38/500455838.db2.gz MNEXQAYVNMZONC-VQTJNVASSA-N 0 3 363.509 3.442 20 30 FGEDHN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424114533 500455918 /nfs/dbraw/zinc/45/59/18/500455918.db2.gz RJEHBWBRTSVHIQ-NRFANRHFSA-N 0 3 365.477 3.288 20 30 FGEDHN Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)[C@@H](N)CCCC#N)n2)c1 ZINC000424149481 500460570 /nfs/dbraw/zinc/46/05/70/500460570.db2.gz WMEBLHDRYPTURQ-FUHWJXTLSA-N 0 3 351.454 3.070 20 30 FGEDHN C=CCC(C)(C)CNC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000432078608 500464807 /nfs/dbraw/zinc/46/48/07/500464807.db2.gz IQOGUSZUFYGAPP-UHFFFAOYSA-N 0 3 372.557 3.226 20 30 FGEDHN C[C@@H](CNC(=O)NCc1ccc(CC#N)cc1)N(C)Cc1ccccc1 ZINC000573481231 506201886 /nfs/dbraw/zinc/20/18/86/506201886.db2.gz OHDLBGIKMADZKK-KRWDZBQOSA-N 0 3 350.466 3.072 20 30 FGEDHN CN1CCN(c2ccc(C(F)(F)F)cc2CN[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781565 500625305 /nfs/dbraw/zinc/62/53/05/500625305.db2.gz MYEYMJZWWUVJAG-RHSMWYFYSA-N 0 3 366.431 3.239 20 30 FGEDHN COC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCCO1 ZINC000433187495 500641635 /nfs/dbraw/zinc/64/16/35/500641635.db2.gz AHCZXBNMRRCJMO-YADHBBJMSA-N 0 3 366.461 3.421 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000442899861 500643890 /nfs/dbraw/zinc/64/38/90/500643890.db2.gz LVIRLHKSPJNPLG-CEXWTWQISA-N 0 3 371.525 3.209 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(-c4cc[nH]n4)o3)C2)c(F)c1 ZINC000433311834 500669344 /nfs/dbraw/zinc/66/93/44/500669344.db2.gz OARXBVSITFDMBR-OAHLLOKOSA-N 0 3 365.412 3.439 20 30 FGEDHN Cc1nc(C2(NC(=O)C(C#N)CCc3ccccc3)CCCCC2)no1 ZINC000433313728 500670029 /nfs/dbraw/zinc/67/00/29/500670029.db2.gz WRRMYJSMYVEZOS-QGZVFWFLSA-N 0 3 352.438 3.426 20 30 FGEDHN COc1cc(OC)c(OC)cc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433344988 500677414 /nfs/dbraw/zinc/67/74/14/500677414.db2.gz VQXMEYZXDSLIOR-MRXNPFEDSA-N 0 3 368.433 3.101 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433371010 500683066 /nfs/dbraw/zinc/68/30/66/500683066.db2.gz KDLPCKBQEVUGQJ-QIJUGHKUSA-N 0 3 361.489 3.396 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000437743914 500688851 /nfs/dbraw/zinc/68/88/51/500688851.db2.gz JGTNVFDYKFVPPA-WMLDXEAASA-N 0 3 367.415 3.300 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)CC1 ZINC000433624221 500723025 /nfs/dbraw/zinc/72/30/25/500723025.db2.gz GQDBDOGOFHZLJD-OAHLLOKOSA-N 0 3 359.367 3.221 20 30 FGEDHN C[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)N1CCc2ccccc2C1 ZINC000443515462 500733165 /nfs/dbraw/zinc/73/31/65/500733165.db2.gz CQOISCWAZGWBOH-CYBMUJFWSA-N 0 3 360.383 3.253 20 30 FGEDHN CN(CCC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ccncc1 ZINC000570709653 506214844 /nfs/dbraw/zinc/21/48/44/506214844.db2.gz BWPWTLYBBZIKRT-INIZCTEOSA-N 0 3 373.254 3.051 20 30 FGEDHN CC1CCN(CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438643846 500810798 /nfs/dbraw/zinc/81/07/98/500810798.db2.gz VBAJIABQYXCDRP-UHFFFAOYSA-N 0 3 354.376 3.430 20 30 FGEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000448737394 500819148 /nfs/dbraw/zinc/81/91/48/500819148.db2.gz MEKQGCDLURYXFE-HXUWFJFHSA-N 0 3 364.493 3.398 20 30 FGEDHN C=CCOc1ccccc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444458391 500850320 /nfs/dbraw/zinc/85/03/20/500850320.db2.gz DMSGCFUWDHCIQJ-UHFFFAOYSA-N 0 3 366.461 3.460 20 30 FGEDHN C[C@@H](NCc1cccc(C#N)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000602574041 506221715 /nfs/dbraw/zinc/22/17/15/506221715.db2.gz FMOOLZOZPZGXEL-IERDGZPVSA-N 0 3 351.450 3.368 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000444778265 500898121 /nfs/dbraw/zinc/89/81/21/500898121.db2.gz VOWHFSCULOHLGC-UHFFFAOYSA-N 0 3 350.462 3.254 20 30 FGEDHN COc1nc(C)cc(C)c1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000598913356 506223186 /nfs/dbraw/zinc/22/31/86/506223186.db2.gz REAYMOOFZMSVFB-SFHVURJKSA-N 0 3 351.450 3.438 20 30 FGEDHN C=CC[C@@H]1N(CC(=O)NCC(=O)Nc2ccccc2CC)CCCC1(C)C ZINC000444781277 500899098 /nfs/dbraw/zinc/89/90/98/500899098.db2.gz GQEMOCHVVHKODD-IBGZPJMESA-N 0 3 371.525 3.370 20 30 FGEDHN N#Cc1cccc(C2(C(=O)NCC3(N4CCSCC4)CCCC3)CC2)c1 ZINC000435050349 500927467 /nfs/dbraw/zinc/92/74/67/500927467.db2.gz SBDXPUORTLRDFU-UHFFFAOYSA-N 0 3 369.534 3.068 20 30 FGEDHN CCN1CC[C@@H](NCc2cccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000602601085 506228206 /nfs/dbraw/zinc/22/82/06/506228206.db2.gz QOYBLKZEPAMICT-IEBWSBKVSA-N 0 3 360.383 3.296 20 30 FGEDHN C=CCOc1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC000449407468 500996110 /nfs/dbraw/zinc/99/61/10/500996110.db2.gz DECVMYQULGCXEQ-QGZVFWFLSA-N 0 3 360.498 3.374 20 30 FGEDHN CO[C@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000449636849 501047267 /nfs/dbraw/zinc/04/72/67/501047267.db2.gz XIEWGYJUWROYHC-OALUTQOASA-N 0 3 350.466 3.348 20 30 FGEDHN CN(C)Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)ccc1F ZINC000435926581 501047511 /nfs/dbraw/zinc/04/75/11/501047511.db2.gz JWQPGPXLZOOBNV-SFHVURJKSA-N 0 3 353.441 3.276 20 30 FGEDHN Cc1c(Br)cccc1C[C@H](CO)CNCc1ccc(C#N)o1 ZINC000449679345 501060317 /nfs/dbraw/zinc/06/03/17/501060317.db2.gz DLDWPUYMJIWHNF-ZDUSSCGKSA-N 0 3 363.255 3.163 20 30 FGEDHN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000449735050 501071045 /nfs/dbraw/zinc/07/10/45/501071045.db2.gz FUCYZSOJTBPJQR-CYBMUJFWSA-N 0 3 371.412 3.221 20 30 FGEDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)oc1C ZINC000436143701 501077695 /nfs/dbraw/zinc/07/76/95/501077695.db2.gz KODDCUIBYJEOMY-KRWDZBQOSA-N 0 3 367.449 3.292 20 30 FGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000436717758 501195428 /nfs/dbraw/zinc/19/54/28/501195428.db2.gz CWDNMXVQIMEENA-APWZRJJASA-N 0 3 363.461 3.235 20 30 FGEDHN C=C(C)CN1CCC(Nc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450320633 501232918 /nfs/dbraw/zinc/23/29/18/501232918.db2.gz WLZSDYGOLBZTFY-UHFFFAOYSA-N 0 3 356.426 3.026 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1)C(C)C ZINC000457752627 501301217 /nfs/dbraw/zinc/30/12/17/501301217.db2.gz PUNGRAGQTQYVDI-SBHAEUEKSA-N 0 3 361.530 3.038 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@](CO)(C(C)C)C1)C(C)C ZINC000457751829 501301224 /nfs/dbraw/zinc/30/12/24/501301224.db2.gz PKELJLWHWWUJNW-TZIWHRDSSA-N 0 3 365.562 3.125 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C(C)C ZINC000457763012 501303763 /nfs/dbraw/zinc/30/37/63/501303763.db2.gz YUYSHSCCGKMMKH-NMLBUPMWSA-N 0 3 363.546 3.020 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H]2C[C@@](C)(OC)C2(C)C)cc1 ZINC000451488162 501304854 /nfs/dbraw/zinc/30/48/54/501304854.db2.gz MAAQFYBCPXPBPW-WIYYLYMNSA-N 0 3 373.497 3.125 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(C)C ZINC000451504009 501308238 /nfs/dbraw/zinc/30/82/38/501308238.db2.gz QOKXHOBXHNCWGA-QZTJIDSGSA-N 0 3 372.513 3.433 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451507269 501308564 /nfs/dbraw/zinc/30/85/64/501308564.db2.gz VOGJRQHVWFSVIH-KYNGSXCRSA-N 0 3 358.507 3.450 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000457829338 501318239 /nfs/dbraw/zinc/31/82/39/501318239.db2.gz ZFOFTUGJPBEDCJ-CEXWTWQISA-N 0 3 362.539 3.499 20 30 FGEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)c(I)c1 ZINC000453355573 501319297 /nfs/dbraw/zinc/31/92/97/501319297.db2.gz MLAUFGZWIHEVOM-JQWIXIFHSA-N 0 3 363.214 3.408 20 30 FGEDHN C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000453436468 501331875 /nfs/dbraw/zinc/33/18/75/501331875.db2.gz IHKCDKMVZVJOLE-CTWPCTMYSA-N 0 3 373.545 3.406 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c1C ZINC000451594758 501332942 /nfs/dbraw/zinc/33/29/42/501332942.db2.gz DSDVARCZBDSCMP-UGKGYDQZSA-N 0 3 373.541 3.429 20 30 FGEDHN OC[C@@H]([C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CC1)C1CC1 ZINC000451604196 501335316 /nfs/dbraw/zinc/33/53/16/501335316.db2.gz KFKNUFYWXLDWBF-QZTJIDSGSA-N 0 3 353.384 3.323 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000451682645 501349888 /nfs/dbraw/zinc/34/98/88/501349888.db2.gz RZDOOUGHYBPWDE-RTWAWAEBSA-N 0 3 368.477 3.130 20 30 FGEDHN C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451699210 501354074 /nfs/dbraw/zinc/35/40/74/501354074.db2.gz UNUDEWXLVVBTBO-WJBHACNQSA-N 0 3 359.473 3.321 20 30 FGEDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000451727365 501361476 /nfs/dbraw/zinc/36/14/76/501361476.db2.gz ZCPMSWIFQMYMSD-OAHLLOKOSA-N 0 3 374.554 3.243 20 30 FGEDHN N#Cc1ncc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1Cl ZINC000455774475 501383515 /nfs/dbraw/zinc/38/35/15/501383515.db2.gz CJYMRKDVIMCLDI-UHFFFAOYSA-N 0 3 361.877 3.336 20 30 FGEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000451888017 501393132 /nfs/dbraw/zinc/39/31/32/501393132.db2.gz HKVGVFYVOFWQDY-DYESRHJHSA-N 0 3 364.578 3.262 20 30 FGEDHN CN(C)CCN(Cc1ccsc1)C(=O)CSc1ccc(C#N)cc1 ZINC000458207699 501393335 /nfs/dbraw/zinc/39/33/35/501393335.db2.gz WDXFCHGZKPSHMH-UHFFFAOYSA-N 0 3 359.520 3.302 20 30 FGEDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000452034915 501421562 /nfs/dbraw/zinc/42/15/62/501421562.db2.gz MFYJDYAKDJDAER-YQVWRLOYSA-N 0 3 373.497 3.268 20 30 FGEDHN C[C@@H](C#N)CN(C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455950704 501424166 /nfs/dbraw/zinc/42/41/66/501424166.db2.gz YLCHONXUNLTZKF-ZDUSSCGKSA-N 0 3 364.877 3.436 20 30 FGEDHN CS[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000456002091 501435679 /nfs/dbraw/zinc/43/56/79/501435679.db2.gz HEANVQHBOXBONE-OALUTQOASA-N 0 3 371.550 3.165 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000458751206 501522335 /nfs/dbraw/zinc/52/23/35/501522335.db2.gz BXAOGKWRNLNVEW-GUYCJALGSA-N 0 3 358.417 3.219 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000458756970 501523556 /nfs/dbraw/zinc/52/35/56/501523556.db2.gz FCBUMJSVHVMCPQ-AUUYWEPGSA-N 0 3 354.429 3.188 20 30 FGEDHN CCCN(CCN1CCCCCC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459101930 501594330 /nfs/dbraw/zinc/59/43/30/501594330.db2.gz AEJYKTIEPFTTNC-UHFFFAOYSA-N 0 3 360.477 3.495 20 30 FGEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459114847 501596915 /nfs/dbraw/zinc/59/69/15/501596915.db2.gz IPBDTWTUJWDKCU-UHFFFAOYSA-N 0 3 360.477 3.351 20 30 FGEDHN Cc1cc(NC(=O)CNC2CCC(C#N)CC2)ccc1Br ZINC000602692848 506264337 /nfs/dbraw/zinc/26/43/37/506264337.db2.gz CQUQPCAKYTWMAW-UHFFFAOYSA-N 0 3 350.260 3.368 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459511552 501666844 /nfs/dbraw/zinc/66/68/44/501666844.db2.gz MFGUUTMOZAIBDN-QGZVFWFLSA-N 0 3 364.449 3.420 20 30 FGEDHN N#Cc1ccccc1CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000598992989 506266882 /nfs/dbraw/zinc/26/68/82/506266882.db2.gz GZWJQAJEFCZNBC-LJQANCHMSA-N 0 3 371.278 3.330 20 30 FGEDHN C=C(C)[C@H](NCCc1nnnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000481595933 501826898 /nfs/dbraw/zinc/82/68/98/501826898.db2.gz UZEAQWXJRNADOV-IBGZPJMESA-N 0 3 355.392 3.390 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470872338 501836641 /nfs/dbraw/zinc/83/66/41/501836641.db2.gz JCASICLTNKPGOZ-IBGZPJMESA-N 0 3 374.400 3.364 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](C(F)(F)F)[C@H]2C)c(OC)c1 ZINC000470946200 501864285 /nfs/dbraw/zinc/86/42/85/501864285.db2.gz FEIIURXLNCDRIJ-BMFZPTHFSA-N 0 3 373.415 3.436 20 30 FGEDHN CSc1ccc(F)cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470973616 501878665 /nfs/dbraw/zinc/87/86/65/501878665.db2.gz FRSKIDKUFJMOBD-HNNXBMFYSA-N 0 3 353.422 3.418 20 30 FGEDHN CC(=O)NCc1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464409854 501981160 /nfs/dbraw/zinc/98/11/60/501981160.db2.gz IAYOTGGJZLRFOX-HNNXBMFYSA-N 0 3 361.323 3.227 20 30 FGEDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccco1 ZINC000461028044 501993272 /nfs/dbraw/zinc/99/32/72/501993272.db2.gz XPEIHLIOGHEKTR-YOEHRIQHSA-N 0 3 370.453 3.088 20 30 FGEDHN N#Cc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1F ZINC000464645359 502053064 /nfs/dbraw/zinc/05/30/64/502053064.db2.gz UUMODKBUQYWGME-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000478859306 502105765 /nfs/dbraw/zinc/10/57/65/502105765.db2.gz RRHDUKOOTYDXCS-FOPRYUNUSA-N 0 3 355.388 3.459 20 30 FGEDHN C=CCNC(=O)c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)nc1 ZINC000461441098 502115672 /nfs/dbraw/zinc/11/56/72/502115672.db2.gz AYUNTBGPWNMQTJ-IBGZPJMESA-N 0 3 350.466 3.246 20 30 FGEDHN Cc1cccc2[nH]cc(CCNC(=O)C(C#N)Cc3ccc(C#N)cc3)c21 ZINC000472028489 502203650 /nfs/dbraw/zinc/20/36/50/502203650.db2.gz GLKLVLMKFCYDLP-LJQANCHMSA-N 0 3 356.429 3.389 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000588671282 506299465 /nfs/dbraw/zinc/29/94/65/506299465.db2.gz IJOOBLOAHOSXTB-UWJYYQICSA-N 0 3 362.477 3.063 20 30 FGEDHN CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[C@H]2C#N)c2ccccc2)CC1 ZINC000461940228 502245215 /nfs/dbraw/zinc/24/52/15/502245215.db2.gz FRINRRUKBFNACW-XUVXKRRUSA-N 0 3 354.498 3.451 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2nccnc2cc1F)C(C)C ZINC000472148477 502247809 /nfs/dbraw/zinc/24/78/09/502247809.db2.gz AODKQTVMRLIEGJ-IBGZPJMESA-N 0 3 356.445 3.197 20 30 FGEDHN COc1ccc(C2(CN[C@H](C)C(=O)NC3(C#N)CCC3)CCCCC2)cc1 ZINC000468980875 502251363 /nfs/dbraw/zinc/25/13/63/502251363.db2.gz MRIUUTNWTONXDN-QGZVFWFLSA-N 0 3 369.509 3.438 20 30 FGEDHN CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C ZINC000465401109 502251455 /nfs/dbraw/zinc/25/14/55/502251455.db2.gz DGOHQCILTDYFBY-SGJUXQJHSA-N 0 3 361.511 3.229 20 30 FGEDHN C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000462027114 502279432 /nfs/dbraw/zinc/27/94/32/502279432.db2.gz WKOHDGCBTFXELI-KZNAEPCWSA-N 0 3 369.509 3.010 20 30 FGEDHN COC1CCN(C(C)(C)CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475790060 502293607 /nfs/dbraw/zinc/29/36/07/502293607.db2.gz FEIHPQLWPMOHCS-GOSISDBHSA-N 0 3 357.498 3.080 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)C(C)C ZINC000465549377 502303039 /nfs/dbraw/zinc/30/30/39/502303039.db2.gz VUDWBVWLETVUCA-LJQANCHMSA-N 0 3 358.461 3.195 20 30 FGEDHN COc1cnccc1N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000483212083 502315193 /nfs/dbraw/zinc/31/51/93/502315193.db2.gz QGTVGZVOXZIKIK-UHFFFAOYSA-N 0 3 350.466 3.214 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000487165787 502378166 /nfs/dbraw/zinc/37/81/66/502378166.db2.gz XKXUYXGHCLIUOQ-HNNXBMFYSA-N 0 3 359.367 3.379 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@]2(C)c2ccccc2OC)CC1 ZINC000465858035 502404714 /nfs/dbraw/zinc/40/47/14/502404714.db2.gz IEHODNVLGHQUKC-TZIWHRDSSA-N 0 3 357.498 3.065 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000462403313 502423564 /nfs/dbraw/zinc/42/35/64/502423564.db2.gz QMSIDYLQPJJADP-FOIQADDNSA-N 0 3 351.450 3.089 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 ZINC000483603649 502441784 /nfs/dbraw/zinc/44/17/84/502441784.db2.gz TVOZXSCLTAYWPT-UONOGXRCSA-N 0 3 363.483 3.272 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cccnc2OCc2ccccc2F)CC1 ZINC000480142199 502482756 /nfs/dbraw/zinc/48/27/56/502482756.db2.gz FBDACOQECPNCKY-UHFFFAOYSA-N 0 3 369.440 3.180 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CCNC2 ZINC000582594363 506316446 /nfs/dbraw/zinc/31/64/46/506316446.db2.gz NUBQQSPTMAFBEE-UHFFFAOYSA-N 0 3 366.421 3.461 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000469692558 502504621 /nfs/dbraw/zinc/50/46/21/502504621.db2.gz WGVWNSSETDNWEZ-WOJBJXKFSA-N 0 3 358.482 3.105 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@H](C2CCC2)C1)C(C)C ZINC000487829641 502540890 /nfs/dbraw/zinc/54/08/90/502540890.db2.gz DNSKXJNVPKSEQM-UXHICEINSA-N 0 3 363.546 3.143 20 30 FGEDHN C=CCc1cc(CNc2cccc(CN3CC[C@@H](O)C3)c2)cc(OC)c1O ZINC000462859917 502601711 /nfs/dbraw/zinc/60/17/11/502601711.db2.gz MXBHMHBCHFOPFL-HXUWFJFHSA-N 0 3 368.477 3.308 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCn3c(cc4ccccc43)C2)cc1 ZINC000462857518 502602543 /nfs/dbraw/zinc/60/25/43/502602543.db2.gz XPOMDYSEBSARQU-LJQANCHMSA-N 0 3 354.413 3.238 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000588746277 506324886 /nfs/dbraw/zinc/32/48/86/506324886.db2.gz BGBBWJGRHRIORV-ZCNNSNEGSA-N 0 3 354.498 3.342 20 30 FGEDHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(C#N)c(C)c1)CC2 ZINC000488188966 502651737 /nfs/dbraw/zinc/65/17/37/502651737.db2.gz XKWWTNMEFAKUFD-UHFFFAOYSA-N 0 3 366.461 3.493 20 30 FGEDHN C=CCN(CC(=O)NCc1ccc(OC)c(OC)c1)CC1CCCCC1 ZINC000484489208 502653210 /nfs/dbraw/zinc/65/32/10/502653210.db2.gz NBHLALOGFHJACW-UHFFFAOYSA-N 0 3 360.498 3.388 20 30 FGEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1OC ZINC000463042203 502673578 /nfs/dbraw/zinc/67/35/78/502673578.db2.gz IVYLNDSRFVNLON-MRXNPFEDSA-N 0 3 370.424 3.294 20 30 FGEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484648209 502695908 /nfs/dbraw/zinc/69/59/08/502695908.db2.gz CXPZXSOWBHQEJB-HOJAQTOUSA-N 0 3 357.498 3.283 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1=Cc2cccc(OC)c2OC1)C(C)C ZINC000496016117 502869773 /nfs/dbraw/zinc/86/97/73/502869773.db2.gz YWAUWZGRYZLRDO-IBGZPJMESA-N 0 3 370.493 3.286 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 ZINC000509954337 503018062 /nfs/dbraw/zinc/01/80/62/503018062.db2.gz BAVPMYPVPGIFMQ-IBGZPJMESA-N 0 3 366.461 3.021 20 30 FGEDHN O=C(NCC#Cc1ccccc1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506101312 503048174 /nfs/dbraw/zinc/04/81/74/503048174.db2.gz OQDKUSIUNXEDLV-HXUWFJFHSA-N 0 3 368.427 3.312 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000506216131 503071077 /nfs/dbraw/zinc/07/10/77/503071077.db2.gz AIAONHWXOJDSBT-UHFFFAOYSA-N 0 3 365.452 3.329 20 30 FGEDHN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000602919137 506352959 /nfs/dbraw/zinc/35/29/59/506352959.db2.gz XFRVJQZTILKLLK-UIFIKXQLSA-N 0 3 363.461 3.442 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1)N(C)C ZINC000510528582 503135307 /nfs/dbraw/zinc/13/53/07/503135307.db2.gz XQSXASHMVRSJJF-FIKGOQFSSA-N 0 3 365.477 3.442 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1cc(C#N)ccc1F)N(C)C ZINC000498403194 503179416 /nfs/dbraw/zinc/17/94/16/503179416.db2.gz HXBMJFZUKCQLKJ-FOIQADDNSA-N 0 3 368.456 3.496 20 30 FGEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000506929576 503196498 /nfs/dbraw/zinc/19/64/98/503196498.db2.gz RTMMPSZKTMGESA-RDTXWAMCSA-N 0 3 361.438 3.021 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](c2cc(C)ccn2)C1 ZINC000582674890 506359724 /nfs/dbraw/zinc/35/97/24/506359724.db2.gz RJPUHMIIEMJJKH-WOJBJXKFSA-N 0 3 352.478 3.348 20 30 FGEDHN C=CCCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511256921 503289037 /nfs/dbraw/zinc/28/90/37/503289037.db2.gz CCWQUWHIHXSUQO-LEWJYISDSA-N 0 3 370.518 3.150 20 30 FGEDHN Cc1nc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ccc1C#N ZINC000502867786 503293649 /nfs/dbraw/zinc/29/36/49/503293649.db2.gz FCSWZHKNMWBJHZ-UHFFFAOYSA-N 0 3 363.465 3.044 20 30 FGEDHN CCC1(N2CCOCC2)CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000599183389 506363584 /nfs/dbraw/zinc/36/35/84/506363584.db2.gz LSVBBURJQGVCSM-UHFFFAOYSA-N 0 3 350.466 3.188 20 30 FGEDHN CCN(CCC#N)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000492109296 503349970 /nfs/dbraw/zinc/34/99/70/503349970.db2.gz LZAYJRJTJUNBDJ-KRWDZBQOSA-N 0 3 353.388 3.203 20 30 FGEDHN CCN(CCC#N)C(=O)CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511608388 503354793 /nfs/dbraw/zinc/35/47/93/503354793.db2.gz BYKUHRDRLKTQBM-QGZVFWFLSA-N 0 3 369.387 3.388 20 30 FGEDHN CCOc1cccc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000507749516 503360326 /nfs/dbraw/zinc/36/03/26/503360326.db2.gz SSOKRLUDVQKBTO-UHFFFAOYSA-N 0 3 352.438 3.227 20 30 FGEDHN N#Cc1cccc(OCCN[C@@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000503220838 503370749 /nfs/dbraw/zinc/37/07/49/503370749.db2.gz ZFXHIPNUXKWPEV-NRFANRHFSA-N 0 3 359.429 3.130 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000503408372 503403243 /nfs/dbraw/zinc/40/32/43/503403243.db2.gz SRCBRWLWDDCPGA-WMZOPIPTSA-N 0 3 373.497 3.474 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@H](c2ccccc2)C1)C(C)C ZINC000503435230 503408590 /nfs/dbraw/zinc/40/85/90/503408590.db2.gz AGDAYUCEKHVXOZ-RTWAWAEBSA-N 0 3 371.525 3.468 20 30 FGEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000503601348 503444518 /nfs/dbraw/zinc/44/45/18/503444518.db2.gz MBXMVLOJQTUTKC-BJLQDIEVSA-N 0 3 366.465 3.183 20 30 FGEDHN CCC[C@@]1(NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCOC1 ZINC000512275970 503506263 /nfs/dbraw/zinc/50/62/63/503506263.db2.gz HWIVTISWMCJSDA-HNAYVOBHSA-N 0 3 361.511 3.426 20 30 FGEDHN CN1C(=O)C[C@@H](NCc2ccc(CC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494236446 503509084 /nfs/dbraw/zinc/50/90/84/503509084.db2.gz DDEZKDYXOYJVLL-QUCCMNQESA-N 0 3 355.388 3.092 20 30 FGEDHN CN1C(=O)C[C@H](NCc2ccc(CC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494236445 503509462 /nfs/dbraw/zinc/50/94/62/503509462.db2.gz DDEZKDYXOYJVLL-ICSRJNTNSA-N 0 3 355.388 3.092 20 30 FGEDHN C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000504016558 503510803 /nfs/dbraw/zinc/51/08/03/503510803.db2.gz AYAOPGKPJJEEAV-KRWDZBQOSA-N 0 3 371.525 3.370 20 30 FGEDHN COC(=O)[C@@H]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508622044 503531217 /nfs/dbraw/zinc/53/12/17/503531217.db2.gz VVGGSQRWHBZTHO-LJQANCHMSA-N 0 3 350.418 3.132 20 30 FGEDHN N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000508690570 503543872 /nfs/dbraw/zinc/54/38/72/503543872.db2.gz RZULKPGNRWDWTB-LJQANCHMSA-N 0 3 365.452 3.411 20 30 FGEDHN C[C@@H]1C[C@@H]1c1noc(CC2CCN(CCOc3ccccc3C#N)CC2)n1 ZINC000593077623 506379609 /nfs/dbraw/zinc/37/96/09/506379609.db2.gz NILQYLIJWPUCAZ-QAPCUYQASA-N 0 3 366.465 3.398 20 30 FGEDHN Cc1ccc(C#N)c(NC2CCN(CCOc3ccc(F)cc3)CC2)n1 ZINC000500297854 503598313 /nfs/dbraw/zinc/59/83/13/503598313.db2.gz WZOYIXSOZPWSRD-UHFFFAOYSA-N 0 3 354.429 3.356 20 30 FGEDHN CCc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(C#N)cc3F)C2)ncn1 ZINC000512665939 503607011 /nfs/dbraw/zinc/60/70/11/503607011.db2.gz IEAPBYDGHXCIBT-RHSMWYFYSA-N 0 3 353.445 3.369 20 30 FGEDHN C[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C#N)cc1F ZINC000512671196 503609055 /nfs/dbraw/zinc/60/90/55/503609055.db2.gz DSUHYBYHJLAUIW-KRWDZBQOSA-N 0 3 366.484 3.296 20 30 FGEDHN COc1cc(CN(C)C2(CO)CC2)ccc1OCc1cccc(C#N)c1 ZINC000512829941 503641272 /nfs/dbraw/zinc/64/12/72/503641272.db2.gz YAXHCLBATDBUPL-UHFFFAOYSA-N 0 3 352.434 3.103 20 30 FGEDHN N#CCCC1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000517134941 503652270 /nfs/dbraw/zinc/65/22/70/503652270.db2.gz VZVWTHPNAZFWJF-MRXNPFEDSA-N 0 3 367.287 3.205 20 30 FGEDHN C[C@@H](CNC[C@H](O)COc1ccc(CC#N)cc1)Oc1ccc(Cl)cc1 ZINC000517127924 503674564 /nfs/dbraw/zinc/67/45/64/503674564.db2.gz RNQHKHYANMPGPE-YJBOKZPZSA-N 0 3 374.868 3.203 20 30 FGEDHN Cc1c(Cl)cnc(N(CCN(C)C)Cc2ccc(C#N)cc2)c1C#N ZINC000543205708 503678629 /nfs/dbraw/zinc/67/86/29/503678629.db2.gz GXPDYHUDXPSAIW-UHFFFAOYSA-N 0 3 353.857 3.355 20 30 FGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2c(F)cccc2Cl)c(F)c1 ZINC000532987177 503690455 /nfs/dbraw/zinc/69/04/55/503690455.db2.gz WFJAWLZRUBVRCX-CYBMUJFWSA-N 0 3 350.796 3.431 20 30 FGEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000527128360 503690685 /nfs/dbraw/zinc/69/06/85/503690685.db2.gz HXVCXFNPZPGZRJ-CVEARBPZSA-N 0 3 365.399 3.494 20 30 FGEDHN N#Cc1ccsc1NC(=O)CCNC1(c2ccccc2)CCOCC1 ZINC000533061271 503717644 /nfs/dbraw/zinc/71/76/44/503717644.db2.gz KFCYDYWISZUKHW-UHFFFAOYSA-N 0 3 355.463 3.244 20 30 FGEDHN C=CCN(Cc1ccccc1)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000517421969 503742335 /nfs/dbraw/zinc/74/23/35/503742335.db2.gz FSBJZWRPUAMQAX-UHFFFAOYSA-N 0 3 359.514 3.274 20 30 FGEDHN CCN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000517622068 503787351 /nfs/dbraw/zinc/78/73/51/503787351.db2.gz MUDZQYMBQBLPAH-VQIMIIECSA-N 0 3 354.450 3.390 20 30 FGEDHN CCCC(=O)Nc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000527446815 503791088 /nfs/dbraw/zinc/79/10/88/503791088.db2.gz JBGWIRJJMDAADG-LJQANCHMSA-N 0 3 374.444 3.296 20 30 FGEDHN C=CCc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)cc(OC)c1OC ZINC000530029606 503804371 /nfs/dbraw/zinc/80/43/71/503804371.db2.gz OBQOZAMHGJGSEZ-GOSISDBHSA-N 0 3 358.482 3.179 20 30 FGEDHN N#Cc1ccc(CNC2CCN(C(=O)NC3CCCCC3)CC2)c(F)c1 ZINC000533446168 503848973 /nfs/dbraw/zinc/84/89/73/503848973.db2.gz MZGURBXJVCLEAD-UHFFFAOYSA-N 0 3 358.461 3.294 20 30 FGEDHN CN1CC=C(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000537245517 503855722 /nfs/dbraw/zinc/85/57/22/503855722.db2.gz YTAYBHSAVOYLHU-UHFFFAOYSA-N 0 3 361.445 3.129 20 30 FGEDHN C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000540701237 503859899 /nfs/dbraw/zinc/85/98/99/503859899.db2.gz CNBDOJQNBDRATH-HNAYVOBHSA-N 0 3 372.513 3.398 20 30 FGEDHN CCOc1ccc(N(CCC#N)C(=O)CCN(C)c2ccncc2)cc1 ZINC000543713770 503862715 /nfs/dbraw/zinc/86/27/15/503862715.db2.gz WLOYFKBMVKSMKQ-UHFFFAOYSA-N 0 3 352.438 3.253 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000530232163 503884445 /nfs/dbraw/zinc/88/44/45/503884445.db2.gz ODXBWBGLIIMWFA-AEFFLSMTSA-N 0 3 372.852 3.455 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000530232165 503885087 /nfs/dbraw/zinc/88/50/87/503885087.db2.gz ODXBWBGLIIMWFA-SJLPKXTDSA-N 0 3 372.852 3.455 20 30 FGEDHN N#CCC1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000543777299 503888483 /nfs/dbraw/zinc/88/84/83/503888483.db2.gz TXEFIPSJJOQKKN-QGZVFWFLSA-N 0 3 360.527 3.295 20 30 FGEDHN Cc1nc(SCC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000518052539 503899246 /nfs/dbraw/zinc/89/92/46/503899246.db2.gz OTCIRDDCQKFCQI-UONOGXRCSA-N 0 3 374.554 3.207 20 30 FGEDHN COc1cc(C[C@H](CO)CN[C@@H](C)c2ccc(C#N)c(F)c2)cc(OC)c1 ZINC000537408332 503905532 /nfs/dbraw/zinc/90/55/32/503905532.db2.gz VFBWTJFRJKKKTD-HOCLYGCPSA-N 0 3 372.440 3.216 20 30 FGEDHN C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1=CCN(C)CC1 ZINC000540968085 503959526 /nfs/dbraw/zinc/95/95/26/503959526.db2.gz GCXZOBDNNFOAQJ-HNNXBMFYSA-N 0 3 362.433 3.126 20 30 FGEDHN CN(CCN1CCN(c2ccc(C#N)c(Cl)c2)CC1)Cc1ccccc1 ZINC000518364480 503963125 /nfs/dbraw/zinc/96/31/25/503963125.db2.gz BJSIQVBDILZKBX-UHFFFAOYSA-N 0 3 368.912 3.466 20 30 FGEDHN COc1ccc([C@H](CNC(=O)Cc2cccc(C#N)c2)N2CCCC2)cc1 ZINC000530670152 504047577 /nfs/dbraw/zinc/04/75/77/504047577.db2.gz GVEXHTAVHGKBTJ-NRFANRHFSA-N 0 3 363.461 3.063 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CN1Cc1ccccc1 ZINC000518889949 504087148 /nfs/dbraw/zinc/08/71/48/504087148.db2.gz MDKCSMSXHQUIEX-NNZWXOEDSA-N 0 3 354.498 3.279 20 30 FGEDHN C=CCc1cc(C(=O)Nc2cccc3c2CCNC3)cc(OC)c1OC ZINC000518962810 504104280 /nfs/dbraw/zinc/10/42/80/504104280.db2.gz LKAXOWXYJPRWGF-UHFFFAOYSA-N 0 3 352.434 3.330 20 30 FGEDHN C=C(C)[C@@H](CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)OCC ZINC000534418887 504136698 /nfs/dbraw/zinc/13/66/98/504136698.db2.gz GTLJCHKBKSJXHI-GOSISDBHSA-N 0 3 366.546 3.288 20 30 FGEDHN C=C(C)[C@H](CC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1)OCC ZINC000534421096 504137129 /nfs/dbraw/zinc/13/71/29/504137129.db2.gz IMFJXUXNLHUSAN-ICSRJNTNSA-N 0 3 374.525 3.374 20 30 FGEDHN C=C(C)[C@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)OCC ZINC000534419901 504137266 /nfs/dbraw/zinc/13/72/66/504137266.db2.gz ZAOSNEWYOQMMNM-KRWDZBQOSA-N 0 3 354.560 3.226 20 30 FGEDHN CC(=O)c1ccc2c(c1)CCN(CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000534478332 504152921 /nfs/dbraw/zinc/15/29/21/504152921.db2.gz UAFCCEJRRLULPY-UHFFFAOYSA-N 0 3 361.445 3.190 20 30 FGEDHN CC[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)N(CC)CC ZINC000531057617 504175117 /nfs/dbraw/zinc/17/51/17/504175117.db2.gz WYPPBJCPQWTCLS-ACBHZAAOSA-N 0 3 357.498 3.485 20 30 FGEDHN C=CCCOCCNC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000534579223 504180734 /nfs/dbraw/zinc/18/07/34/504180734.db2.gz GXMKKKDEPWJRAM-AZUAARDMSA-N 0 3 359.514 3.446 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000528353008 504183314 /nfs/dbraw/zinc/18/33/14/504183314.db2.gz BWXFFVXDMXJXNA-WOJBJXKFSA-N 0 3 354.425 3.144 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](Cc1ccccc1)c1cccs1 ZINC000541594494 504191526 /nfs/dbraw/zinc/19/15/26/504191526.db2.gz DLBOMGOOTJSGQE-SFHVURJKSA-N 0 3 366.490 3.277 20 30 FGEDHN C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000544688448 504218883 /nfs/dbraw/zinc/21/88/83/504218883.db2.gz SKTKCFGCMPBFDX-HLIPFELVSA-N 0 3 356.514 3.456 20 30 FGEDHN C[C@H](CC[S@](C)=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000538425863 504243625 /nfs/dbraw/zinc/24/36/25/504243625.db2.gz HJXICYXSJSJHSQ-CPJLOUKISA-N 0 3 356.491 3.384 20 30 FGEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000528487746 504244118 /nfs/dbraw/zinc/24/41/18/504244118.db2.gz LDLVVFHFAVVIOX-NVXWUHKLSA-N 0 3 368.399 3.352 20 30 FGEDHN CO[C@H](Cc1ccc(F)cc1)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000528492110 504246538 /nfs/dbraw/zinc/24/65/38/504246538.db2.gz JYDRJKKILJRPJL-LJQANCHMSA-N 0 3 353.441 3.336 20 30 FGEDHN COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCCO ZINC000538508638 504267564 /nfs/dbraw/zinc/26/75/64/504267564.db2.gz WGBUUNPCGLEMCQ-KBPBESRZSA-N 0 3 358.413 3.489 20 30 FGEDHN N#Cc1ccc(CN[C@]2(CO)COc3ccccc3C2)c(C(F)(F)F)c1 ZINC000528643466 504308889 /nfs/dbraw/zinc/30/88/89/504308889.db2.gz FXMWFDBKGXZZSG-GOSISDBHSA-N 0 3 362.351 3.033 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3F)CC2)cc1 ZINC000531528293 504334823 /nfs/dbraw/zinc/33/48/23/504334823.db2.gz HXQJVAWBNWUNDZ-HXUWFJFHSA-N 0 3 368.452 3.392 20 30 FGEDHN N#Cc1ccc(CN2CCC(NC3(C(=O)Nc4ccccc4)CC3)CC2)cc1 ZINC000548308947 504394189 /nfs/dbraw/zinc/39/41/89/504394189.db2.gz KNRZGYARIFBBNS-UHFFFAOYSA-N 0 3 374.488 3.284 20 30 FGEDHN CC(C)(O)CN(Cc1cc(C#N)ccc1Br)C1CCOCC1 ZINC000520312400 504463368 /nfs/dbraw/zinc/46/33/68/504463368.db2.gz LTMNFKGIVZPTAQ-UHFFFAOYSA-N 0 3 367.287 3.073 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528996659 504488592 /nfs/dbraw/zinc/48/85/92/504488592.db2.gz RNHVYTFGAZJYJA-ZNMIVQPWSA-N 0 3 360.385 3.155 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000539254398 504514008 /nfs/dbraw/zinc/51/40/08/504514008.db2.gz PWPPHUONUUWTHS-WIEQDCTASA-N 0 3 370.497 3.129 20 30 FGEDHN C=CCC[C@H](NCCN1C(=O)CCC1=O)c1ccc(C(F)(F)F)cc1 ZINC000539332122 504532382 /nfs/dbraw/zinc/53/23/82/504532382.db2.gz OJAIYJIXQLFXTC-HNNXBMFYSA-N 0 3 354.372 3.451 20 30 FGEDHN C=C(C)[C@H](CC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)OCC ZINC000535910743 504580204 /nfs/dbraw/zinc/58/02/04/504580204.db2.gz OCMUSWLNONDTEH-PMACEKPBSA-N 0 3 360.498 3.320 20 30 FGEDHN CC(C#N)C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000539588523 504617580 /nfs/dbraw/zinc/61/75/80/504617580.db2.gz QFAZWYDDKYIABG-SSDOTTSWSA-N 0 3 366.042 3.411 20 30 FGEDHN C[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000539602766 504622619 /nfs/dbraw/zinc/62/26/19/504622619.db2.gz PZPUVPRJXCTHDE-MRXNPFEDSA-N 0 3 353.441 3.380 20 30 FGEDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(C#N)c(F)c3)cn2)CC1 ZINC000539608589 504625076 /nfs/dbraw/zinc/62/50/76/504625076.db2.gz SYBRRWXOUBAYOL-INIZCTEOSA-N 0 3 367.472 3.085 20 30 FGEDHN C[C@H](C#N)CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000542876726 504643833 /nfs/dbraw/zinc/64/38/33/504643833.db2.gz FJSQNUQMTHBMAD-LJQANCHMSA-N 0 3 364.493 3.490 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1c1ccnn1C)C(C)C ZINC000539713468 504662434 /nfs/dbraw/zinc/66/24/34/504662434.db2.gz ZNQXTEZIPYFSSL-WOJBJXKFSA-N 0 3 373.545 3.355 20 30 FGEDHN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000549096206 504684561 /nfs/dbraw/zinc/68/45/61/504684561.db2.gz HKIUQZNCUMSEKE-UHFFFAOYSA-N 0 3 364.497 3.291 20 30 FGEDHN CCO[C@H]1COCC[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000546058849 504693655 /nfs/dbraw/zinc/69/36/55/504693655.db2.gz CTQKHMLDLVZDRX-VXKWHMMOSA-N 0 3 366.461 3.421 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(C2CC2)s1 ZINC000521468487 504743030 /nfs/dbraw/zinc/74/30/30/504743030.db2.gz VJPGENAIPITVFA-UHFFFAOYSA-N 0 3 354.479 3.096 20 30 FGEDHN COc1cccc([C@@H]2CN(Cc3cnc4c(C#N)cnn4c3)CC2(C)C)c1 ZINC000529638931 504750554 /nfs/dbraw/zinc/75/05/54/504750554.db2.gz HMUREUONEXNAPG-IBGZPJMESA-N 0 3 361.449 3.235 20 30 FGEDHN N#Cc1ccccc1OCCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549402536 504810588 /nfs/dbraw/zinc/81/05/88/504810588.db2.gz RYRYBHLSBLIXKT-UHFFFAOYSA-N 0 3 359.433 3.182 20 30 FGEDHN C=CCOc1ccc(CNC(=O)c2ccccc2OCCN(C)C)cc1 ZINC000553052325 504814503 /nfs/dbraw/zinc/81/45/03/504814503.db2.gz PDSCCUYZFZLDEI-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN N#Cc1ccc(CN2CCC(NCc3nnc(C4CC4)s3)CC2)cc1 ZINC000562735951 504927614 /nfs/dbraw/zinc/92/76/14/504927614.db2.gz YIKJEFHHNYBIJF-UHFFFAOYSA-N 0 3 353.495 3.041 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cn1)CCC2 ZINC000556662083 504932113 /nfs/dbraw/zinc/93/21/13/504932113.db2.gz OOQNKHMZMQKGMA-UHFFFAOYSA-N 0 3 363.465 3.038 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2sccc2C#N)N(C)C)cc1 ZINC000553671566 504979202 /nfs/dbraw/zinc/97/92/02/504979202.db2.gz RKYUBOCWHCITAX-QGZVFWFLSA-N 0 3 357.479 3.440 20 30 FGEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000565806337 504992122 /nfs/dbraw/zinc/99/21/22/504992122.db2.gz GPOINRSUMDOFAA-RDJZCZTQSA-N 0 3 356.388 3.233 20 30 FGEDHN N#Cc1ccc(OCCN2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000560197015 505016670 /nfs/dbraw/zinc/01/66/70/505016670.db2.gz QMAVXBGABGCOPF-UHFFFAOYSA-N 0 3 357.404 3.428 20 30 FGEDHN C=CCOc1ccc(CNC(=O)Nc2ccc3c(c2F)CCNC3)cc1 ZINC000566057083 505067888 /nfs/dbraw/zinc/06/78/88/505067888.db2.gz JXJWWLUBPAEEQO-UHFFFAOYSA-N 0 3 355.413 3.358 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccccc2C(F)(F)F)cc1 ZINC000566106674 505083045 /nfs/dbraw/zinc/08/30/45/505083045.db2.gz WUDBTFNOOCUBFR-INIZCTEOSA-N 0 3 364.367 3.301 20 30 FGEDHN N#Cc1cnn2cc(CNC[C@H](Cc3ccccc3)C(F)(F)F)cnc12 ZINC000566243038 505121335 /nfs/dbraw/zinc/12/13/35/505121335.db2.gz RIXYZWUYMCCOQA-INIZCTEOSA-N 0 3 359.355 3.112 20 30 FGEDHN CC(C#N)C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000557448745 505137022 /nfs/dbraw/zinc/13/70/22/505137022.db2.gz NARZGAVTCMBENY-WIYYLYMNSA-N 0 3 362.477 3.234 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)[C@H](C(F)(F)F)C1 ZINC000551325702 505202282 /nfs/dbraw/zinc/20/22/82/505202282.db2.gz LJGPXWKNXSFJKQ-HUUCEWRRSA-N 0 3 364.371 3.277 20 30 FGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000554589433 505215020 /nfs/dbraw/zinc/21/50/20/505215020.db2.gz RMAPCZLLGYMIKN-NRFANRHFSA-N 0 3 363.461 3.063 20 30 FGEDHN N#Cc1cscc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000551545073 505249732 /nfs/dbraw/zinc/24/97/32/505249732.db2.gz KVFCIKHPKGKJTE-UHFFFAOYSA-N 0 3 355.463 3.076 20 30 FGEDHN C=CCOc1c(Br)cc(CN[C@@H](C)CN(C)C)cc1OC ZINC000554727176 505250179 /nfs/dbraw/zinc/25/01/79/505250179.db2.gz WVKSDJVBMGVHHF-LBPRGKRZSA-N 0 3 357.292 3.062 20 30 FGEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000561225884 505285944 /nfs/dbraw/zinc/28/59/44/505285944.db2.gz TYUIYSWFEYVKRE-FQEVSTJZSA-N 0 3 360.498 3.474 20 30 FGEDHN C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)N1[C@H](C)CC[C@H]1C ZINC000561306575 505310056 /nfs/dbraw/zinc/31/00/56/505310056.db2.gz DVNYKEJBUFLIKY-BZUAXINKSA-N 0 3 373.472 3.328 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCC1 ZINC000555077261 505342869 /nfs/dbraw/zinc/34/28/69/505342869.db2.gz MEEYUEIPFUHPFQ-MRXNPFEDSA-N 0 3 351.372 3.309 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000552034407 505376958 /nfs/dbraw/zinc/37/69/58/505376958.db2.gz SUKIWWQFIGTTCL-KSSFIOAISA-N 0 3 358.825 3.065 20 30 FGEDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000558447421 505392807 /nfs/dbraw/zinc/39/28/07/505392807.db2.gz MWXGJASETRXREB-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCN(CC2CC2)CC1 ZINC000555271265 505395973 /nfs/dbraw/zinc/39/59/73/505395973.db2.gz ZXZMWVXUYPMHKZ-UHFFFAOYSA-N 0 3 357.527 3.423 20 30 FGEDHN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C[C@H](O)CN(C)C1CC1 ZINC000558460109 505396321 /nfs/dbraw/zinc/39/63/21/505396321.db2.gz YHFVXAFHGVLHML-OAQYLSRUSA-N 0 3 367.468 3.468 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000564403880 505410212 /nfs/dbraw/zinc/41/02/12/505410212.db2.gz TXUVRNVISNWYLZ-HMXCVIKNSA-N 0 3 357.494 3.188 20 30 FGEDHN C[C@H]1C[C@H]1N1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000561762045 505429999 /nfs/dbraw/zinc/42/99/99/505429999.db2.gz JHDJVPWQYKICFU-BBTUJRGHSA-N 0 3 369.509 3.296 20 30 FGEDHN C[C@H](N[C@H]1CCCC12CCOCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000558629005 505444875 /nfs/dbraw/zinc/44/48/75/505444875.db2.gz GSAPOYMUAMQUGI-GUYCJALGSA-N 0 3 373.522 3.374 20 30 FGEDHN COc1cc(Br)ccc1CCCNC[C@H](C#N)CCC#N ZINC000564607675 505468126 /nfs/dbraw/zinc/46/81/26/505468126.db2.gz YGDATVGKHBZOKF-ZDUSSCGKSA-N 0 3 350.260 3.423 20 30 FGEDHN Cc1oc(NC(=O)CN(CCN2CCCCCC2)C2CCC2)c(C#N)c1C ZINC000561919051 505468547 /nfs/dbraw/zinc/46/85/47/505468547.db2.gz UHFSUJGDYYSYBO-UHFFFAOYSA-N 0 3 372.513 3.437 20 30 FGEDHN Cc1ccc([C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 ZINC000558718525 505472994 /nfs/dbraw/zinc/47/29/94/505472994.db2.gz WCMDVIWSGCWAKE-HXUWFJFHSA-N 0 3 354.475 3.381 20 30 FGEDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000564652880 505483216 /nfs/dbraw/zinc/48/32/16/505483216.db2.gz QAYINSWGYFNATK-SMDDNHRTSA-N 0 3 368.359 3.015 20 30 FGEDHN N#CC(CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000567602719 505511689 /nfs/dbraw/zinc/51/16/89/505511689.db2.gz NWBCISFROHBFNU-NYVOZVTQSA-N 0 3 373.500 3.472 20 30 FGEDHN COc1cccc([C@@H](CNC(=O)NCC(C)(C)CCC#N)N2CCCC2)c1 ZINC000562203404 505539157 /nfs/dbraw/zinc/53/91/57/505539157.db2.gz AAXUTSFBFKGRMT-LJQANCHMSA-N 0 3 372.513 3.461 20 30 FGEDHN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@@H](O)CC2(C#N)CCOCC2)C2CC2)o1 ZINC000599252771 506386271 /nfs/dbraw/zinc/38/62/71/506386271.db2.gz RUNHIYXQMXLVNZ-AYBZRNKSSA-N 0 3 358.482 3.439 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCN1CCCCC1 ZINC000593112976 506400504 /nfs/dbraw/zinc/40/05/04/506400504.db2.gz UCURTMUCZKCNJP-KRWDZBQOSA-N 0 3 374.554 3.437 20 30 FGEDHN C[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593115900 506401570 /nfs/dbraw/zinc/40/15/70/506401570.db2.gz NEUKYKSPNUMQCW-HNAYVOBHSA-N 0 3 354.425 3.099 20 30 FGEDHN C[C@@H]1SCCN(C[C@H](O)COc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000599303980 506405498 /nfs/dbraw/zinc/40/54/98/506405498.db2.gz NZFOEHYGFZQFJD-LRQRDZAKSA-N 0 3 368.502 3.477 20 30 FGEDHN N#Cc1cc(NCC2CCN(Cc3ccncc3)CC2)c2ccccc2n1 ZINC000596441096 506405724 /nfs/dbraw/zinc/40/57/24/506405724.db2.gz NBYJLLKVTVVCCP-UHFFFAOYSA-N 0 3 357.461 3.247 20 30 FGEDHN COc1ccc([C@@H](NC[C@H](O)COc2ccccc2C#N)C2CC2)cc1 ZINC000599354894 506425239 /nfs/dbraw/zinc/42/52/39/506425239.db2.gz SIFUJVNPRCDQOW-RXVVDRJESA-N 0 3 352.434 3.047 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C#N)c2)CCN1Cc1ccccc1 ZINC000603128561 506430808 /nfs/dbraw/zinc/43/08/08/506430808.db2.gz JPXGLTJYDBAHIC-JXFKEZNVSA-N 0 3 363.465 3.470 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612134945 506454255 /nfs/dbraw/zinc/45/42/55/506454255.db2.gz KTLMUGLCBNXAEF-SLYNCCJLSA-N 0 3 354.498 3.232 20 30 FGEDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C#N)C2)N(C)C)cc1 ZINC000596600160 506482820 /nfs/dbraw/zinc/48/28/20/506482820.db2.gz BIPATNJGVGRSGY-ICSRJNTNSA-N 0 3 358.486 3.022 20 30 FGEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCc1ccc(C#N)cc1)N(C)C ZINC000596599759 506482930 /nfs/dbraw/zinc/48/29/30/506482930.db2.gz YMZKHXJCLWUVMB-DYESRHJHSA-N 0 3 364.493 3.400 20 30 FGEDHN COC(=O)c1cnc(C2CCN(CCc3ccc(C#N)cc3)CC2)s1 ZINC000599556520 506499445 /nfs/dbraw/zinc/49/94/45/506499445.db2.gz KXOHEUUOKSXOQE-UHFFFAOYSA-N 0 3 355.463 3.223 20 30 FGEDHN CC(C)CN(CC(C)C)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632894 506541975 /nfs/dbraw/zinc/54/19/75/506541975.db2.gz QOUVABAIDUNBCU-UHFFFAOYSA-N 0 3 371.525 3.294 20 30 FGEDHN CCN(Cc1ccc(CN(C)C)cc1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000599662095 506564147 /nfs/dbraw/zinc/56/41/47/506564147.db2.gz YGIROEYALSMKFA-OAQYLSRUSA-N 0 3 365.477 3.356 20 30 FGEDHN COc1ccc(CN(C)C)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000603589965 506567627 /nfs/dbraw/zinc/56/76/27/506567627.db2.gz VOJZAXDITONUPF-AWEZNQCLSA-N 0 3 353.422 3.034 20 30 FGEDHN N#CCc1cccc2c1CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000599677831 506574180 /nfs/dbraw/zinc/57/41/80/506574180.db2.gz PCFXYYSDYAAKMV-UHFFFAOYSA-N 0 3 364.405 3.048 20 30 FGEDHN N#Cc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000589521142 506577828 /nfs/dbraw/zinc/57/78/28/506577828.db2.gz FGDMUXNGNSBCIV-IAGOWNOFSA-N 0 3 368.399 3.377 20 30 FGEDHN COc1ccc([C@H](NCCC(=O)Nc2sccc2C#N)C2CC2)cn1 ZINC000599694569 506586279 /nfs/dbraw/zinc/58/62/79/506586279.db2.gz APFNZPBPPOMNKR-QGZVFWFLSA-N 0 3 356.451 3.093 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C2CC2)C2CC2)cc1 ZINC000596877789 506651308 /nfs/dbraw/zinc/65/13/08/506651308.db2.gz VKNYXYRIGBKEHH-LBPRGKRZSA-N 0 3 361.467 3.073 20 30 FGEDHN C=CCOc1ccc(CNCCNc2ccc(-c3ccccc3)nn2)cc1 ZINC000589842587 506662601 /nfs/dbraw/zinc/66/26/01/506662601.db2.gz WDLGIJDSHOSUNG-UHFFFAOYSA-N 0 3 360.461 3.332 20 30 FGEDHN N#Cc1cccc(CN2CCC(Nc3cc(C#N)nc4ccccc43)CC2)c1 ZINC000593515634 506664955 /nfs/dbraw/zinc/66/49/55/506664955.db2.gz PDQXVTXYOTZLHL-UHFFFAOYSA-N 0 3 367.456 3.477 20 30 FGEDHN N#Cc1ccc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1F ZINC000596911271 506673088 /nfs/dbraw/zinc/67/30/88/506673088.db2.gz OCBJWGXUKYAHES-UHFFFAOYSA-N 0 3 367.428 3.126 20 30 FGEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000596911589 506673165 /nfs/dbraw/zinc/67/31/65/506673165.db2.gz ZGPHOVXLBVLLDO-INIZCTEOSA-N 0 3 365.437 3.351 20 30 FGEDHN C[C@H](CO)C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000593676956 506725341 /nfs/dbraw/zinc/72/53/41/506725341.db2.gz RAFQPCFEYPPGCP-QGZVFWFLSA-N 0 3 352.482 3.304 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000593693377 506734350 /nfs/dbraw/zinc/73/43/50/506734350.db2.gz WUUOFJFQRBGMAQ-UHFFFAOYSA-N 0 3 368.412 3.360 20 30 FGEDHN C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)N1CCC(C)CC1 ZINC000609082202 506771655 /nfs/dbraw/zinc/77/16/55/506771655.db2.gz FMHMZDFKYBANMV-CYBMUJFWSA-N 0 3 366.412 3.402 20 30 FGEDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[C@@H]2C1 ZINC000590443650 506824400 /nfs/dbraw/zinc/82/44/00/506824400.db2.gz KBXFURDVSCETNB-GHTZIAJQSA-N 0 3 361.445 3.321 20 30 FGEDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000609316971 506848858 /nfs/dbraw/zinc/84/88/58/506848858.db2.gz GUSNRSPRMNNJSI-RHSMWYFYSA-N 0 3 359.495 3.259 20 30 FGEDHN N#Cc1ccc2ncc(CN[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)n2c1 ZINC000597238958 506853787 /nfs/dbraw/zinc/85/37/87/506853787.db2.gz ONOPOTRAHIQADM-WOJBJXKFSA-N 0 3 373.460 3.037 20 30 FGEDHN CN(C)CCOc1cccc(NC(=O)N2Cc3ccc(C#N)cc3C2)c1 ZINC000594064796 506917421 /nfs/dbraw/zinc/91/74/21/506917421.db2.gz JMSQVNUMOMNQEF-UHFFFAOYSA-N 0 3 350.422 3.046 20 30 FGEDHN Cc1cc(NC(=O)[C@@H](C)CC#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000597412681 506938850 /nfs/dbraw/zinc/93/88/50/506938850.db2.gz GTJAVOLRCFWEAF-YJBOKZPZSA-N 0 3 351.454 3.127 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@H]1c1ccco1)C(C)C ZINC000604914366 506986474 /nfs/dbraw/zinc/98/64/74/506986474.db2.gz GZOZEPQLJLAUAO-ROUUACIJSA-N 0 3 361.486 3.061 20 30 FGEDHN C=C[C@@](C)(O)C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000613248324 506993752 /nfs/dbraw/zinc/99/37/52/506993752.db2.gz GAPKWDUBVQNMRC-PZJWPPBQSA-N 0 3 360.498 3.342 20 30 FGEDHN C=CCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000583840798 507002912 /nfs/dbraw/zinc/00/29/12/507002912.db2.gz OYOBBEQEWQVFOQ-FQEVSTJZSA-N 0 3 374.492 3.237 20 30 FGEDHN CC[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)N1CCc2ccccc2C1 ZINC000594208665 507010061 /nfs/dbraw/zinc/01/00/61/507010061.db2.gz HXQFAWROFYBSBN-QFIPXVFZSA-N 0 3 374.488 3.420 20 30 FGEDHN C[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCCC[C@H]1C ZINC000594209866 507011244 /nfs/dbraw/zinc/01/12/44/507011244.db2.gz XJDQTFPKVNKBBN-IAGOWNOFSA-N 0 3 354.498 3.500 20 30 FGEDHN N#Cc1ccc2c(c1)CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C2 ZINC000594217209 507017376 /nfs/dbraw/zinc/01/73/76/507017376.db2.gz SHRWKQRZYXQAJF-GOSISDBHSA-N 0 3 366.490 3.482 20 30 FGEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000613302210 507019738 /nfs/dbraw/zinc/01/97/38/507019738.db2.gz UYEMNNHASQSTTJ-GOSISDBHSA-N 0 3 364.449 3.305 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594221076 507020307 /nfs/dbraw/zinc/02/03/07/507020307.db2.gz KVDDLDPHJVRTKW-UHFFFAOYSA-N 0 3 352.482 3.277 20 30 FGEDHN C[C@@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCC(C)CC1 ZINC000594226262 507022628 /nfs/dbraw/zinc/02/26/28/507022628.db2.gz JNBLFZMLNHCBPI-KRWDZBQOSA-N 0 3 354.498 3.357 20 30 FGEDHN CC(C)OCc1ccccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600717115 507080348 /nfs/dbraw/zinc/08/03/48/507080348.db2.gz INSNUPGRXOHXFH-FQEVSTJZSA-N 0 3 354.450 3.013 20 30 FGEDHN CC(C)c1ccccc1OCCNC[C@H](O)COc1ccccc1C#N ZINC000600725839 507085434 /nfs/dbraw/zinc/08/54/34/507085434.db2.gz KKFASUAFUXIVIO-SFHVURJKSA-N 0 3 354.450 3.090 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000610101797 507101257 /nfs/dbraw/zinc/10/12/57/507101257.db2.gz CWZMJJZTRRALFB-YRWFTTLQSA-N 0 3 356.514 3.456 20 30 FGEDHN N#CCc1cccc2c1CCN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C2 ZINC000600781555 507117865 /nfs/dbraw/zinc/11/78/65/507117865.db2.gz FPBWSAQEXNATET-QFIPXVFZSA-N 0 3 359.473 3.302 20 30 FGEDHN N#CCc1cccc2c1CCN(C(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC000600789270 507122788 /nfs/dbraw/zinc/12/27/88/507122788.db2.gz UEOVQVIGPKCQRG-NRFANRHFSA-N 0 3 351.494 3.434 20 30 FGEDHN Cc1nc(-c2ccc(CCNC(=O)[C@@H](N)CCCCC#N)s2)cs1 ZINC000594429533 507126931 /nfs/dbraw/zinc/12/69/31/507126931.db2.gz REGJUCXUPJSOAW-AWEZNQCLSA-N 0 3 362.524 3.250 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000594428539 507127833 /nfs/dbraw/zinc/12/78/33/507127833.db2.gz MQZVETSFHGGZHB-RBUKOAKNSA-N 0 3 369.440 3.473 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000594429850 507128854 /nfs/dbraw/zinc/12/88/54/507128854.db2.gz XFAGBYJTZNORCQ-FQEVSTJZSA-N 0 3 351.450 3.293 20 30 FGEDHN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594430001 507129332 /nfs/dbraw/zinc/12/93/32/507129332.db2.gz YSZVIRAGIBHXTM-QAPCUYQASA-N 0 3 373.501 3.149 20 30 FGEDHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594436267 507130628 /nfs/dbraw/zinc/13/06/28/507130628.db2.gz CLVAZPBTNCULRV-DOTOQJQBSA-N 0 3 362.905 3.002 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000594439230 507132457 /nfs/dbraw/zinc/13/24/57/507132457.db2.gz OUDDUYMSHQQPPM-CVEARBPZSA-N 0 3 351.397 3.193 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000594439327 507133588 /nfs/dbraw/zinc/13/35/88/507133588.db2.gz PZKBWQPDOVGXRE-LBPRGKRZSA-N 0 3 367.331 3.105 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000594438379 507133778 /nfs/dbraw/zinc/13/37/78/507133778.db2.gz MZXRHMWYAWIGSL-SFHVURJKSA-N 0 3 371.481 3.488 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000594441817 507134927 /nfs/dbraw/zinc/13/49/27/507134927.db2.gz XEOGCPHPUVJWOZ-KRWDZBQOSA-N 0 3 356.401 3.040 20 30 FGEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000594441954 507135635 /nfs/dbraw/zinc/13/56/35/507135635.db2.gz ZAFVWFIAHRXRSW-OXJNMPFZSA-N 0 3 366.465 3.249 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)[C@H](N)CCCCC#N)c2cccs2)CC1 ZINC000594446841 507137353 /nfs/dbraw/zinc/13/73/53/507137353.db2.gz XSTMSLHMEVTCHO-SJORKVTESA-N 0 3 362.543 3.049 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594450400 507138422 /nfs/dbraw/zinc/13/84/22/507138422.db2.gz KUKRMQSRPLHUBI-AWEZNQCLSA-N 0 3 355.360 3.102 20 30 FGEDHN CC[C@H](c1nnc(NC(=O)[C@@H](N)CCCCC#N)s1)c1ccccc1 ZINC000594469349 507146617 /nfs/dbraw/zinc/14/66/17/507146617.db2.gz VHJMANGKENRGBZ-GJZGRUSLSA-N 0 3 357.483 3.430 20 30 FGEDHN CN(Cc1ccc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2c1)C1CC1 ZINC000598031016 507226096 /nfs/dbraw/zinc/22/60/96/507226096.db2.gz WDRGYAYCSDSPSH-UHFFFAOYSA-N 0 3 351.435 3.343 20 30 FGEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000610478249 507254658 /nfs/dbraw/zinc/25/46/58/507254658.db2.gz URCDHMGINPXFHI-UHFFFAOYSA-N 0 3 368.485 3.006 20 30 FGEDHN Cc1ccc(C(=O)NCCNCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594915586 507314036 /nfs/dbraw/zinc/31/40/36/507314036.db2.gz VEHBEPSZVSXAMS-UHFFFAOYSA-N 0 3 351.425 3.209 20 30 FGEDHN Cn1nc(C(F)(F)F)cc1CNCCSCc1ccccc1C#N ZINC000594915523 507314084 /nfs/dbraw/zinc/31/40/84/507314084.db2.gz AANREXUNTHRXJL-UHFFFAOYSA-N 0 3 354.401 3.334 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601263180 507314691 /nfs/dbraw/zinc/31/46/91/507314691.db2.gz FJHNTCPLPPPDLG-LJQANCHMSA-N 0 3 351.494 3.441 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1Br ZINC000591622960 507316587 /nfs/dbraw/zinc/31/65/87/507316587.db2.gz BSOLOPNLUGIOCB-GJZGRUSLSA-N 0 3 350.260 3.134 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](NCc3ccc(C4(C#N)CC4)cc3)C2=O)cc1 ZINC000594937247 507320878 /nfs/dbraw/zinc/32/08/78/507320878.db2.gz GSWQUHNWTAIYIO-OAQYLSRUSA-N 0 3 359.473 3.441 20 30 FGEDHN C=CCOc1ccccc1CNC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000591717986 507337703 /nfs/dbraw/zinc/33/77/03/507337703.db2.gz BRWWVNUECAQGCS-UHFFFAOYSA-N 0 3 356.388 3.284 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000598300378 507364520 /nfs/dbraw/zinc/36/45/20/507364520.db2.gz FXFNMGLTBAFOCM-WOJBJXKFSA-N 0 3 351.450 3.048 20 30 FGEDHN CCCN1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000598344056 507385473 /nfs/dbraw/zinc/38/54/73/507385473.db2.gz ZAKQWGGWRHJWOV-FQEVSTJZSA-N 0 3 363.461 3.351 20 30 FGEDHN Cc1[nH]c2ncnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)c2c1C ZINC000591894996 507399849 /nfs/dbraw/zinc/39/98/49/507399849.db2.gz YYXUSTNLGXYUSM-UHFFFAOYSA-N 0 3 360.465 3.159 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000601621639 507406237 /nfs/dbraw/zinc/40/62/37/507406237.db2.gz PMOSWYPZABDWSI-GOSISDBHSA-N 0 3 351.450 3.468 20 30 FGEDHN N#Cc1ccc(CCN2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000595343622 507465222 /nfs/dbraw/zinc/46/52/22/507465222.db2.gz JMUQSWGWLVLDBL-UHFFFAOYSA-N 0 3 361.489 3.268 20 30 FGEDHN CCCN(Cc1ccnc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000610993015 507471245 /nfs/dbraw/zinc/47/12/45/507471245.db2.gz AECKGHLMXDGOIN-UHFFFAOYSA-N 0 3 362.477 3.470 20 30 FGEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154114 507510677 /nfs/dbraw/zinc/51/06/77/507510677.db2.gz PJCVFHHAIKOIPD-RBBKRZOGSA-N 0 3 370.541 3.026 20 30 FGEDHN CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000595471387 507515127 /nfs/dbraw/zinc/51/51/27/507515127.db2.gz ACXMCTVEQONYCO-SFHVURJKSA-N 0 3 368.525 3.223 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000598613511 507517579 /nfs/dbraw/zinc/51/75/79/507517579.db2.gz INXMDZPKGVEZKW-GJZGRUSLSA-N 0 3 352.276 3.186 20 30 FGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000598611334 507518358 /nfs/dbraw/zinc/51/83/58/507518358.db2.gz MNABCRSBEJHUNX-BXUZGUMPSA-N 0 3 364.795 3.283 20 30 FGEDHN CCCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCc2ncsc2C1 ZINC000592189462 507531619 /nfs/dbraw/zinc/53/16/19/507531619.db2.gz VKIDQLIYIPPFBD-MRXNPFEDSA-N 0 3 374.554 3.445 20 30 FGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595582066 507573733 /nfs/dbraw/zinc/57/37/33/507573733.db2.gz DXFHIBWLVAKXJU-PMACEKPBSA-N 0 3 356.514 3.478 20 30 FGEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595633288 507604172 /nfs/dbraw/zinc/60/41/72/507604172.db2.gz OUHXSHVKDSKLDF-UNEWFSDZSA-N 0 3 356.388 3.233 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000592354800 507614708 /nfs/dbraw/zinc/61/47/08/507614708.db2.gz CFWFXJSFGIPGFX-QUCCMNQESA-N 0 3 359.539 3.439 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000611394560 507660478 /nfs/dbraw/zinc/66/04/78/507660478.db2.gz PZZSJUWHTVLWPA-HOTGVXAUSA-N 0 3 351.372 3.079 20 30 FGEDHN Cc1oc(NC(=O)CN[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C#N)c1C ZINC000595777783 507680656 /nfs/dbraw/zinc/68/06/56/507680656.db2.gz JYUPUIBURNHIJB-CVEARBPZSA-N 0 3 359.470 3.423 20 30 FGEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000592504842 507684591 /nfs/dbraw/zinc/68/45/91/507684591.db2.gz AFKGLXGMJDONBX-SJKOYZFVSA-N 0 3 355.829 3.120 20 30 FGEDHN CN(C[C@@H](O)COc1ccc(CC#N)cc1)CC1(c2ccccc2)CC1 ZINC000614917399 507694508 /nfs/dbraw/zinc/69/45/08/507694508.db2.gz UELDNFBQXIFQAN-HXUWFJFHSA-N 0 3 350.462 3.156 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(c3ccon3)CC1)CCC2 ZINC000595828243 507703590 /nfs/dbraw/zinc/70/35/90/507703590.db2.gz KEOAGPYSUHEYDO-UHFFFAOYSA-N 0 3 370.478 3.305 20 30 FGEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602515882 507734527 /nfs/dbraw/zinc/73/45/27/507734527.db2.gz DQIBBWQDWQXAEO-DLBZAZTESA-N 0 3 357.498 3.403 20 30 FGEDHN COC1(c2noc(CC3CCN([C@@H]4CC[C@@H](C#N)C4)CC3)n2)CCCC1 ZINC000595914121 507741070 /nfs/dbraw/zinc/74/10/70/507741070.db2.gz AZFTUSIDSDJJHV-IAGOWNOFSA-N 0 3 358.486 3.432 20 30 FGEDHN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)s1 ZINC000595915507 507742695 /nfs/dbraw/zinc/74/26/95/507742695.db2.gz ZUILRMGWGZPKQY-MRXNPFEDSA-N 0 3 355.463 3.489 20 30 FGEDHN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000611566397 507742706 /nfs/dbraw/zinc/74/27/06/507742706.db2.gz DXLDHIJMEAJFOC-FUHWJXTLSA-N 0 3 358.511 3.092 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736197903 599309352 /nfs/dbraw/zinc/30/93/52/599309352.db2.gz DEUWJFGVNRJPNA-INIZCTEOSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736197903 599309356 /nfs/dbraw/zinc/30/93/56/599309356.db2.gz DEUWJFGVNRJPNA-INIZCTEOSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736197903 599309358 /nfs/dbraw/zinc/30/93/58/599309358.db2.gz DEUWJFGVNRJPNA-INIZCTEOSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736197903 599309361 /nfs/dbraw/zinc/30/93/61/599309361.db2.gz DEUWJFGVNRJPNA-INIZCTEOSA-N 0 3 373.464 3.012 20 30 FGEDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000041510141 695762971 /nfs/dbraw/zinc/76/29/71/695762971.db2.gz PQHZOHHNEUFNLS-DOMZBBRYSA-N 0 3 358.829 3.302 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)C(C)C ZINC000041855923 695769051 /nfs/dbraw/zinc/76/90/51/695769051.db2.gz WQDACEXLQRVTEC-QGZVFWFLSA-N 0 3 363.889 3.093 20 30 FGEDHN N#CC(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1CCCC1 ZINC000103330693 700483429 /nfs/dbraw/zinc/48/34/29/700483429.db2.gz MTXLFLPHLDUEJW-GJZGRUSLSA-N 0 3 352.356 3.490 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)CC1 ZINC000109876905 700537330 /nfs/dbraw/zinc/53/73/30/700537330.db2.gz ZFXSRGLIFVXWKP-UHFFFAOYSA-N 0 3 354.479 3.479 20 30 FGEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000119601110 700633710 /nfs/dbraw/zinc/63/37/10/700633710.db2.gz MIPSXTVCZFLHFD-OLZOCXBDSA-N 0 3 364.829 3.286 20 30 FGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000121608951 700676499 /nfs/dbraw/zinc/67/64/99/700676499.db2.gz HCKJYIHDIBUNJW-HNNXBMFYSA-N 0 3 359.451 3.351 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSc1ccccc1C ZINC000129829103 700792338 /nfs/dbraw/zinc/79/23/38/700792338.db2.gz JCHWPHVEXZGACM-CQSZACIVSA-N 0 3 354.431 3.443 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSc2ccc(C)cc2)cc1 ZINC000131666981 700818433 /nfs/dbraw/zinc/81/84/33/700818433.db2.gz HHLPJPLFPBZJPF-KRWDZBQOSA-N 0 3 354.431 3.443 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(OCc3cscn3)c2)CC1 ZINC000156075738 705099995 /nfs/dbraw/zinc/09/99/95/705099995.db2.gz UYKUVSAQQSTITN-UHFFFAOYSA-N 0 3 355.463 3.006 20 30 FGEDHN N#Cc1ccc([C@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000158186743 705176363 /nfs/dbraw/zinc/17/63/63/705176363.db2.gz ZEKIJTHLBPXCSU-GOSISDBHSA-N 0 3 365.260 3.393 20 30 FGEDHN COCCC[NH+]1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000170696301 705356696 /nfs/dbraw/zinc/35/66/96/705356696.db2.gz VPSBEZKOVLLNNJ-LDADJPATSA-N 0 3 355.276 3.075 20 30 FGEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000179456668 705702349 /nfs/dbraw/zinc/70/23/49/705702349.db2.gz GNKPEJJWPIVKCF-JTQLQIEISA-N 0 3 350.749 3.283 20 30 FGEDHN CCC[C@H](NCc1ccc(C#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000237030784 713587033 /nfs/dbraw/zinc/58/70/33/713587033.db2.gz UTXXFIXZMKWEGS-SFHVURJKSA-N 0 3 353.491 3.463 20 30 FGEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246411901 713623587 /nfs/dbraw/zinc/62/35/87/713623587.db2.gz BFOYFVCEGBOXFJ-IAGOWNOFSA-N 0 3 363.527 3.178 20 30 FGEDHN C[C@@H]1CC[C@@H](CCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)O1 ZINC000246677169 713628565 /nfs/dbraw/zinc/62/85/65/713628565.db2.gz ZEIRVYWBRLIAJR-WXHSDQCUSA-N 0 3 352.793 3.474 20 30 FGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSCc1ccco1 ZINC000255028602 713680974 /nfs/dbraw/zinc/68/09/74/713680974.db2.gz OHWFUEKMNQMETL-GDAGCXPBSA-N 0 3 356.403 3.383 20 30 FGEDHN C=CC[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000625704040 715775624 /nfs/dbraw/zinc/77/56/24/715775624.db2.gz MXFDCQSIJOYDBW-INIZCTEOSA-N 0 3 350.384 3.071 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1COC(C)(C)C1 ZINC000657238381 719603469 /nfs/dbraw/zinc/60/34/69/719603469.db2.gz RWODHNLPQDXENJ-HNNXBMFYSA-N 0 3 350.532 3.152 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC(F)(F)c2ccc(F)cc2)CC1 ZINC000660596976 720079973 /nfs/dbraw/zinc/07/99/73/720079973.db2.gz KHDYGAFNXRQMPH-UHFFFAOYSA-N 0 3 355.404 3.257 20 30 FGEDHN N#Cc1cc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911544 721527764 /nfs/dbraw/zinc/52/77/64/721527764.db2.gz XDDLLDHYXMPQSG-AEFFLSMTSA-N 0 3 372.831 3.088 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C)cn1 ZINC000676408341 721801552 /nfs/dbraw/zinc/80/15/52/721801552.db2.gz SMWNSVWSOPVRJY-UHFFFAOYSA-N 0 3 357.527 3.488 20 30 FGEDHN C#Cc1cccc(NC(=S)NCC2(N3CCSCC3)CCCC2)c1 ZINC000726461518 722434711 /nfs/dbraw/zinc/43/47/11/722434711.db2.gz UMGAPSLYHDOIFP-UHFFFAOYSA-N 0 3 359.564 3.316 20 30 FGEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000729942367 722463620 /nfs/dbraw/zinc/46/36/20/722463620.db2.gz LVKIGRHPLWPOSH-UHFFFAOYSA-N 0 3 361.511 3.175 20 30 FGEDHN C#CCCN1CCC(NC(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 ZINC000740748805 722537345 /nfs/dbraw/zinc/53/73/45/722537345.db2.gz ZGXPYUIYNYYHMT-UHFFFAOYSA-N 0 3 357.841 3.213 20 30 FGEDHN C#CCN(CC#CC)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000745293293 722585494 /nfs/dbraw/zinc/58/54/94/722585494.db2.gz OXEUEZQJTGTEAX-SFHVURJKSA-N 0 3 357.523 3.189 20 30 FGEDHN C[C@H](Cc1ccccc1Cl)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000753915123 722917834 /nfs/dbraw/zinc/91/78/34/722917834.db2.gz UMEJAVMOYRRHTB-CQSZACIVSA-N 0 3 362.882 3.206 20 30 FGEDHN CC(C)CO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000759400936 723003983 /nfs/dbraw/zinc/00/39/83/723003983.db2.gz IVIDLYFRGNLIEA-HUUCEWRRSA-N 0 3 357.479 3.219 20 30 FGEDHN C#CCOc1ccccc1CNCCOc1ccc(C(F)(F)F)cn1 ZINC000760700477 723083670 /nfs/dbraw/zinc/08/36/70/723083670.db2.gz KQEMYKXMKSQNRE-UHFFFAOYSA-N 0 3 350.340 3.281 20 30 FGEDHN N#Cc1ccc([C@@H](O)CNCc2ccccc2OCC(F)(F)F)cc1 ZINC000763236664 723324946 /nfs/dbraw/zinc/32/49/46/723324946.db2.gz SAXKOLYWZFXSDO-INIZCTEOSA-N 0 3 350.340 3.323 20 30 FGEDHN C#C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc(Cl)cc1 ZINC000794070245 723487748 /nfs/dbraw/zinc/48/77/48/723487748.db2.gz MQSONFJIDAQIIJ-GOSISDBHSA-N 0 3 360.885 3.166 20 30 FGEDHN COC[C@@H]1CCCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000767940167 723640658 /nfs/dbraw/zinc/64/06/58/723640658.db2.gz HGTZGNMBQGWNPQ-CABCVRRESA-N 0 3 357.479 3.221 20 30 FGEDHN CCCC[C@@H](NC(=O)NCC)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000771564984 723737751 /nfs/dbraw/zinc/73/77/51/723737751.db2.gz HBYVUMUDRAKRKC-TZMCWYRMSA-N 0 3 358.467 3.350 20 30 FGEDHN C=CCNC(=S)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771847261 723743510 /nfs/dbraw/zinc/74/35/10/723743510.db2.gz GJRIYGNXDOKDJW-QGZVFWFLSA-N 0 3 355.511 3.111 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000797878371 723877210 /nfs/dbraw/zinc/87/72/10/723877210.db2.gz UVLXBNGAHZNFLM-BDJLRTHQSA-N 0 3 356.260 3.234 20 30 FGEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800410292 724193243 /nfs/dbraw/zinc/19/32/43/724193243.db2.gz UUIPSWOVXZRTND-NWDGAFQWSA-N 0 3 356.319 3.115 20 30 FGEDHN Cc1nc(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 ZINC000786313910 724972561 /nfs/dbraw/zinc/97/25/61/724972561.db2.gz YLRRAMNWERDELO-LLVKDONJSA-N 0 3 365.817 3.443 20 30 FGEDHN Cc1noc(C)c1[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533357 724987056 /nfs/dbraw/zinc/98/70/56/724987056.db2.gz DDFOPDDKWGQZMY-BONVTDFDSA-N 0 3 359.813 3.074 20 30 FGEDHN CC(=O)[C@@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786541981 724988056 /nfs/dbraw/zinc/98/80/56/724988056.db2.gz XTKCYWVYHSAVBK-SUMWQHHRSA-N 0 3 362.857 3.451 20 30 FGEDHN N#Cc1ncc(Br)cc1N1CCCN(Cc2ccccc2)CC1 ZINC000787895220 725040288 /nfs/dbraw/zinc/04/02/88/725040288.db2.gz SXECHKGFTYQQMK-UHFFFAOYSA-N 0 3 371.282 3.428 20 30 FGEDHN CN(C)CCN1C(=O)C(=NNc2cccc(Cl)c2F)c2ccccc21 ZINC000807966084 725177327 /nfs/dbraw/zinc/17/73/27/725177327.db2.gz QZTLACTZIQFFIP-UHFFFAOYSA-N 0 3 360.820 3.204 20 30 FGEDHN C#C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)C(C)(C)C ZINC000809780959 725268280 /nfs/dbraw/zinc/26/82/80/725268280.db2.gz BNMJAPYYJBEAAO-QGZVFWFLSA-N 0 3 365.315 3.423 20 30 FGEDHN CCC[C@H](C(=O)C(C#N)c1nc(C(=O)OCC)cs1)c1ccccn1 ZINC000810555389 725314574 /nfs/dbraw/zinc/31/45/74/725314574.db2.gz YWYOJHWKADNDFH-STQMWFEESA-N 0 3 357.435 3.475 20 30 FGEDHN CSC1(C/N=C/c2cc(Br)ccc2[O-])CC[NH+](C)CC1 ZINC000811625915 725375172 /nfs/dbraw/zinc/37/51/72/725375172.db2.gz YLWAHXCVPBDIOM-LICLKQGHSA-N 0 3 357.317 3.401 20 30 FGEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1cccc(Br)c1 ZINC000813061172 726834442 /nfs/dbraw/zinc/83/44/42/726834442.db2.gz TVJCVADAEBARAF-ABAIWWIYSA-N 0 3 363.255 3.320 20 30 FGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](OC)C2)cc1Cl ZINC000815910155 727106612 /nfs/dbraw/zinc/10/66/12/727106612.db2.gz QPCWXCVNSXCMRC-KWCYVHTRSA-N 0 3 364.829 3.201 20 30 FGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cccn1 ZINC000819945620 728956129 /nfs/dbraw/zinc/95/61/29/728956129.db2.gz WAPWTEKIQOXIFZ-PWSUYJOCSA-N 0 3 365.220 3.489 20 30 FGEDHN C#C[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccc(Cl)cc1F ZINC000820750172 729025679 /nfs/dbraw/zinc/02/56/79/729025679.db2.gz LMDBFECGCJMYGL-SCLBCKFNSA-N 0 3 363.864 3.279 20 30 FGEDHN COC[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000832745070 729729467 /nfs/dbraw/zinc/72/94/67/729729467.db2.gz IJMCGMZGALMYEY-HUUCEWRRSA-N 0 3 357.479 3.221 20 30 FGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn2c1CCC2 ZINC000835065035 729855064 /nfs/dbraw/zinc/85/50/64/729855064.db2.gz JXFYKVQZZPJLPC-SNVBAGLBSA-N 0 3 363.204 3.097 20 30 FGEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000836488684 729957501 /nfs/dbraw/zinc/95/75/01/729957501.db2.gz YSBFXYMUIBQZGZ-OAHLLOKOSA-N 0 3 351.903 3.131 20 30 FGEDHN CN(Cc1cn(C)nc1-c1cccs1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006012 730917672 /nfs/dbraw/zinc/91/76/72/730917672.db2.gz FPZQYLJWNNHRHU-KRWDZBQOSA-N 0 3 352.463 3.186 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000847453223 731056504 /nfs/dbraw/zinc/05/65/04/731056504.db2.gz ZFKLFMIBNROGID-UHFFFAOYSA-N 0 3 372.694 3.268 20 30 FGEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000848142680 731134683 /nfs/dbraw/zinc/13/46/83/731134683.db2.gz MBRJPWKHTVZIHR-UHFFFAOYSA-N 0 3 352.400 3.198 20 30 FGEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848572570 731184146 /nfs/dbraw/zinc/18/41/46/731184146.db2.gz ZSKZHQRRNKOIEK-CXAGYDPISA-N 0 3 350.846 3.452 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cc1occc1C ZINC000850760274 731385874 /nfs/dbraw/zinc/38/58/74/731385874.db2.gz RETJSQNPOFTBKW-LBPRGKRZSA-N 0 3 360.797 3.449 20 30 FGEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000850977566 731408455 /nfs/dbraw/zinc/40/84/55/731408455.db2.gz YTRHJRJJCOCVLC-UONOGXRCSA-N 0 3 353.249 3.294 20 30 FGEDHN CCCCCCCCc1nnc(NC(=O)[C@@H]2NCC23CCOCC3)s1 ZINC000852787920 731635725 /nfs/dbraw/zinc/63/57/25/731635725.db2.gz YNFRGGMEPZJXMR-HNNXBMFYSA-N 0 3 366.531 3.148 20 30 FGEDHN N#Cc1cc(F)c(OC(=O)C2CCN(C3CC3)CC2)c(Br)c1 ZINC000857689520 732155024 /nfs/dbraw/zinc/15/50/24/732155024.db2.gz YBBHLOUINDQNNG-UHFFFAOYSA-N 0 3 367.218 3.240 20 30 FGEDHN CCn1cc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c(C2CC2)n1 ZINC000870138111 733815496 /nfs/dbraw/zinc/81/54/96/733815496.db2.gz BSGNAKCIZBJIAF-LBPRGKRZSA-N 0 3 356.813 3.395 20 30 FGEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000870174429 733820277 /nfs/dbraw/zinc/82/02/77/733820277.db2.gz SJUABWXMLCEDOT-ZWNOBZJWSA-N 0 3 363.389 3.179 20 30 FGEDHN CSc1nc(C2CC2)cc(C(=O)N2CCN(C)C(C)(C)CC2)c1C#N ZINC000871151814 733918473 /nfs/dbraw/zinc/91/84/73/733918473.db2.gz BKEAHQUWSOBGSF-UHFFFAOYSA-N 0 3 358.511 3.109 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000876552017 736113173 /nfs/dbraw/zinc/11/31/73/736113173.db2.gz GQDLBDNAEHOPCX-LBPRGKRZSA-N 0 3 367.858 3.236 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000876588378 736117340 /nfs/dbraw/zinc/11/73/40/736117340.db2.gz FUZCSLDIKAIJSO-IBGZPJMESA-N 0 3 358.869 3.490 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000876691070 736132170 /nfs/dbraw/zinc/13/21/70/736132170.db2.gz ZJMBCFRUJXNCQZ-ZIAGYGMSSA-N 0 3 362.779 3.075 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000876890820 736158464 /nfs/dbraw/zinc/15/84/64/736158464.db2.gz JYWLWERPSDKGQK-ULQDDVLXSA-N 0 3 371.859 3.075 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000877306171 736205470 /nfs/dbraw/zinc/20/54/70/736205470.db2.gz HWOPJAYIGWHANL-ZDUSSCGKSA-N 0 3 357.679 3.067 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCSC[C@H]1c1ccccc1OC ZINC000877454070 736221020 /nfs/dbraw/zinc/22/10/20/736221020.db2.gz PSHSEMIFBHVEGY-CABCVRRESA-N 0 3 354.903 3.172 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877574289 736687033 /nfs/dbraw/zinc/68/70/33/736687033.db2.gz DWVMYBRSPMUMLN-SWLSCSKDSA-N 0 3 364.877 3.390 20 30 FGEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877574290 736687086 /nfs/dbraw/zinc/68/70/86/736687086.db2.gz DWVMYBRSPMUMLN-WFASDCNBSA-N 0 3 364.877 3.390 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](Cc3nc(C)cs3)C2)CC1 ZINC000884161434 737639197 /nfs/dbraw/zinc/63/91/97/737639197.db2.gz GJGARLUUGJYNJX-INIZCTEOSA-N 0 3 362.543 3.066 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)NCC1(c3cccc(Cl)c3)CCC1)C2 ZINC000884469112 737666575 /nfs/dbraw/zinc/66/65/75/737666575.db2.gz XAROYZNQYHNTGL-FXUPRZHBSA-N 0 3 357.885 3.017 20 30 FGEDHN C#CCN(C(=O)/C=C\c1ccsc1C(F)(F)F)C1CCN(C)CC1 ZINC000886572770 739271170 /nfs/dbraw/zinc/27/11/70/739271170.db2.gz ZEZYMYVUNMJPFA-PLNGDYQASA-N 0 3 356.413 3.336 20 30 FGEDHN C=CCC1(O)CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000886757552 739292558 /nfs/dbraw/zinc/29/25/58/739292558.db2.gz KNQQRWXZQKZUJC-CYBMUJFWSA-N 0 3 360.281 3.136 20 30 FGEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000892484809 740005295 /nfs/dbraw/zinc/00/52/95/740005295.db2.gz QLPBAURGIKBJEJ-TVYUQYBPSA-N 0 3 354.378 3.074 20 30 FGEDHN C[C@]1(CNC(=O)C2(C#N)CCSCC2)CCCN1Cc1ccccc1 ZINC000935493204 761884316 /nfs/dbraw/zinc/88/43/16/761884316.db2.gz ZGXQUFPBKGHJHE-LJQANCHMSA-N 0 3 357.523 3.194 20 30 FGEDHN C=CCC1(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)CCOCC1 ZINC000899047302 742859122 /nfs/dbraw/zinc/85/91/22/742859122.db2.gz NUXMPIFONLGIOG-UHFFFAOYSA-N 0 3 362.861 3.023 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)ccc(F)c2Br)CC1 ZINC000900598891 743134123 /nfs/dbraw/zinc/13/41/23/743134123.db2.gz NHGNRPQDLDBHSV-UHFFFAOYSA-N 0 3 355.251 3.277 20 30 FGEDHN C#CCN(C(=O)c1ccc(-c2cccs2)nc1C)C1CCN(C)CC1 ZINC000906452262 744133536 /nfs/dbraw/zinc/13/35/36/744133536.db2.gz OSEULRGHWSSFNK-UHFFFAOYSA-N 0 3 353.491 3.288 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC000941094171 762176218 /nfs/dbraw/zinc/17/62/18/762176218.db2.gz ZMTNIOXMYBHHRZ-KKUMJFAQSA-N 0 3 362.436 3.137 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1(O)CCCCC1 ZINC000920091583 758510790 /nfs/dbraw/zinc/51/07/90/758510790.db2.gz IPJWCPRVTXIFLQ-UHFFFAOYSA-N 0 3 364.559 3.280 20 30 FGEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2cc(C#N)ccc2Br)C1 ZINC000921814451 758801578 /nfs/dbraw/zinc/80/15/78/758801578.db2.gz AWMBCKXPEDNIFG-WIEQDCTASA-N 0 3 369.328 3.490 20 30 FGEDHN N#CCCc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000928400751 760184793 /nfs/dbraw/zinc/18/47/93/760184793.db2.gz HDZZGHUCKFYGGQ-CABCVRRESA-N 0 3 356.344 3.065 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ncco3)CC2)cc1Cl ZINC000931447934 760864207 /nfs/dbraw/zinc/86/42/07/760864207.db2.gz ZAPHDMCVMWUCRM-UHFFFAOYSA-N 0 3 358.829 3.408 20 30 FGEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000970703148 762881614 /nfs/dbraw/zinc/88/16/14/762881614.db2.gz OQJWZZVCXRJUSB-BYCMXARLSA-N 0 3 352.400 3.220 20 30 FGEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC000998789439 765123319 /nfs/dbraw/zinc/12/33/19/765123319.db2.gz ZSQWVRIWFDOEFU-CSODTCANSA-N 0 3 362.901 3.138 20 30 FGEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC001016671207 765819700 /nfs/dbraw/zinc/81/97/00/765819700.db2.gz VEZJMCNTAGFLRD-OAGGEKHMSA-N 0 3 356.432 3.349 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001035074873 766255371 /nfs/dbraw/zinc/25/53/71/766255371.db2.gz JWHTWUAFEDDPAF-KEYYUXOJSA-N 0 3 368.930 3.463 20 30 FGEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC001040205224 766300671 /nfs/dbraw/zinc/30/06/71/766300671.db2.gz PAVBWAGAQUEYKY-DBXWQHBBSA-N 0 3 356.535 3.498 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001040881512 766329487 /nfs/dbraw/zinc/32/94/87/766329487.db2.gz NPCRUIHWBZTFJC-BZSNNMDCSA-N 0 3 352.494 3.030 20 30 FGEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)C2 ZINC001045942624 766577699 /nfs/dbraw/zinc/57/76/99/766577699.db2.gz WFVCTAFDZZEHAU-DBXWQHBBSA-N 0 3 356.535 3.498 20 30 FGEDHN COc1ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cc1Br ZINC000594424909 507126565 /nfs/dbraw/zinc/12/65/65/507126565.db2.gz DQQKSHBUNFDFKB-BXUZGUMPSA-N 0 3 368.275 3.046 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(CC#N)cc1 ZINC000570923408 505612274 /nfs/dbraw/zinc/61/22/74/505612274.db2.gz FSFWVIJCMIGYSP-QGZVFWFLSA-N 0 3 350.466 3.072 20 30 FGEDHN CCOC(=O)c1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1C ZINC000568140647 505626217 /nfs/dbraw/zinc/62/62/17/505626217.db2.gz SGJRKJQQLUHBTA-UHFFFAOYSA-N 0 3 366.465 3.150 20 30 FGEDHN COc1cc(CN(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)ccc1C#N ZINC000573961103 505661018 /nfs/dbraw/zinc/66/10/18/505661018.db2.gz BJPPPFYDXLLYNR-VGOFRKELSA-N 0 3 366.461 3.109 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCN1C ZINC000574006403 505672088 /nfs/dbraw/zinc/67/20/88/505672088.db2.gz QFNPILXPHMUNAK-HOCLYGCPSA-N 0 3 365.437 3.350 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000047957352 493766034 /nfs/dbraw/zinc/76/60/34/493766034.db2.gz HYLIAQYJWHZIHF-UHFFFAOYSA-N 0 3 369.509 3.442 20 30 FGEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000080901540 493788646 /nfs/dbraw/zinc/78/86/46/493788646.db2.gz WCKIGHFEJABSQY-LAUBAEHRSA-N 0 3 357.498 3.100 20 30 FGEDHN C=CCOc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000029370434 493835612 /nfs/dbraw/zinc/83/56/12/493835612.db2.gz BFMAHBQBSXEFDC-UHFFFAOYSA-N 0 3 360.523 3.343 20 30 FGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000068885043 493888303 /nfs/dbraw/zinc/88/83/03/493888303.db2.gz MEZGUPPDVCUZOZ-DLBZAZTESA-N 0 3 374.485 3.413 20 30 FGEDHN C[C@H](NC(=O)NCCCN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000031106012 493925377 /nfs/dbraw/zinc/92/53/77/493925377.db2.gz CEZDTIBXGQVZTG-KRWDZBQOSA-N 0 3 350.466 3.441 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)nc(C)n1 ZINC000076822170 493974659 /nfs/dbraw/zinc/97/46/59/493974659.db2.gz VHJNZFFKCUNOJP-SFHVURJKSA-N 0 3 364.449 3.198 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(F)c(C#N)c3)cc2)CC1 ZINC000076824398 493975317 /nfs/dbraw/zinc/97/53/17/493975317.db2.gz NMKIRPAUQGMAMU-UHFFFAOYSA-N 0 3 366.440 3.480 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CNc1ccc(C#N)cc1 ZINC000077140467 494022493 /nfs/dbraw/zinc/02/24/93/494022493.db2.gz QJZYKNPHRAHUEJ-SFHVURJKSA-N 0 3 362.477 3.093 20 30 FGEDHN C=C(C)CN1CCC(Nc2c3ccccc3nnc2C(=O)OCC)CC1 ZINC000077218268 494035615 /nfs/dbraw/zinc/03/56/15/494035615.db2.gz RVRNYLMROPQGTQ-UHFFFAOYSA-N 0 3 354.454 3.259 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000052829143 494066045 /nfs/dbraw/zinc/06/60/45/494066045.db2.gz QIHVQOBUYIBYIY-UHFFFAOYSA-N 0 3 364.449 3.073 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000084365136 494066360 /nfs/dbraw/zinc/06/63/60/494066360.db2.gz JITCXZAVAYVYRO-UHFFFAOYSA-N 0 3 362.477 3.093 20 30 FGEDHN Cc1nc(SCC(=O)N2CCCN(C(C)(C)C)CC2)c(C#N)c(C)c1C ZINC000063724199 494080234 /nfs/dbraw/zinc/08/02/34/494080234.db2.gz XTKATIADXANNJL-UHFFFAOYSA-N 0 3 374.554 3.303 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)CC1 ZINC000077528854 494106243 /nfs/dbraw/zinc/10/62/43/494106243.db2.gz NUQSPJAEFZVSAN-UHFFFAOYSA-N 0 3 373.497 3.264 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000085403146 494122205 /nfs/dbraw/zinc/12/22/05/494122205.db2.gz KFIKNPFICFKNOR-NRFANRHFSA-N 0 3 371.525 3.108 20 30 FGEDHN C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(CC)CC1 ZINC000577325905 505706293 /nfs/dbraw/zinc/70/62/93/505706293.db2.gz FDOMEURJBVNPGD-UHFFFAOYSA-N 0 3 369.513 3.192 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000065931260 494257793 /nfs/dbraw/zinc/25/77/93/494257793.db2.gz KFPSKKPKLLSGCE-UHFFFAOYSA-N 0 3 355.869 3.345 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 ZINC000065984341 494265483 /nfs/dbraw/zinc/26/54/83/494265483.db2.gz OSZVFYJAFFCNLN-UHFFFAOYSA-N 0 3 358.392 3.432 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000577352478 505710628 /nfs/dbraw/zinc/71/06/28/505710628.db2.gz XXIYEWAOVHLRFW-FFGOWVMKSA-N 0 3 357.498 3.072 20 30 FGEDHN CC(C)(C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccccc1 ZINC000055014302 494290774 /nfs/dbraw/zinc/29/07/74/494290774.db2.gz VUBFWXGDSXPBNT-UHFFFAOYSA-O 0 3 357.455 3.030 20 30 FGEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1C(C)(C)C ZINC000055388356 494335839 /nfs/dbraw/zinc/33/58/39/494335839.db2.gz GPYYIIWKWCMWLB-UHFFFAOYSA-N 0 3 367.497 3.022 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)C(C)C ZINC000089707147 494348095 /nfs/dbraw/zinc/34/80/95/494348095.db2.gz YZOHYNCTCBZIOF-JKSUJKDBSA-N 0 3 363.527 3.423 20 30 FGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCN1CCCC1 ZINC000089898759 494395850 /nfs/dbraw/zinc/39/58/50/494395850.db2.gz RVLMHGONGVNVPN-HNNXBMFYSA-N 0 3 374.554 3.243 20 30 FGEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000090106896 494443221 /nfs/dbraw/zinc/44/32/21/494443221.db2.gz WDMSKBJKDBEKAP-OAHLLOKOSA-N 0 3 351.406 3.244 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cc[nH]n2)Cc2ccccc2)CC1 ZINC000074129897 494485797 /nfs/dbraw/zinc/48/57/97/494485797.db2.gz JULJGZZPOQHOEU-UHFFFAOYSA-N 0 3 367.497 3.162 20 30 FGEDHN Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)N(C)C)cc1 ZINC000067268805 494504383 /nfs/dbraw/zinc/50/43/83/494504383.db2.gz CGTJHZMLKOJHOO-OXJNMPFZSA-N 0 3 351.450 3.053 20 30 FGEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000056553801 494524718 /nfs/dbraw/zinc/52/47/18/494524718.db2.gz UUFWUVSNZNOGRR-SFHVURJKSA-N 0 3 366.465 3.251 20 30 FGEDHN COc1ccc([C@@H](NC[C@@H](O)COc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000023677793 494575442 /nfs/dbraw/zinc/57/54/42/494575442.db2.gz ZEMRDJZVQHIGTB-KNQAVFIVSA-N 0 3 368.477 3.488 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)NCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000080070197 494583989 /nfs/dbraw/zinc/58/39/89/494583989.db2.gz NGDBIWFRIBFMKX-DYESRHJHSA-N 0 3 362.477 3.411 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000024101416 494606447 /nfs/dbraw/zinc/60/64/47/494606447.db2.gz KTQKRJVLAYPQOQ-HXUWFJFHSA-N 0 3 354.425 3.296 20 30 FGEDHN COc1ccccc1OC[C@@H](C)CNCc1cnc2ccc(C#N)cn12 ZINC000131449913 494622908 /nfs/dbraw/zinc/62/29/08/494622908.db2.gz HBYAUOCPDBYTSJ-HNNXBMFYSA-N 0 3 350.422 3.019 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC1 ZINC000057175307 494667384 /nfs/dbraw/zinc/66/73/84/494667384.db2.gz NFVAVPFSFGDOQM-UHFFFAOYSA-N 0 3 364.493 3.339 20 30 FGEDHN C#CCN1CCC(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CC1 ZINC000116030205 494682180 /nfs/dbraw/zinc/68/21/80/494682180.db2.gz CQASKFNWXSJXDR-VWLOTQADSA-N 0 3 360.523 3.018 20 30 FGEDHN CCN(CCC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000025074315 494698336 /nfs/dbraw/zinc/69/83/36/494698336.db2.gz AQZZITULIOOBDB-UHFFFAOYSA-N 0 3 357.435 3.199 20 30 FGEDHN C=CCOc1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1OC ZINC000092661998 494703294 /nfs/dbraw/zinc/70/32/94/494703294.db2.gz KUXRAJUYCNKSSR-IBGZPJMESA-N 0 3 361.482 3.420 20 30 FGEDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092010920 494754563 /nfs/dbraw/zinc/75/45/63/494754563.db2.gz GNRBMAISTMGSNU-ICSRJNTNSA-N 0 3 368.481 3.048 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2ccccc2OC(F)F)CC1 ZINC000108706359 494768163 /nfs/dbraw/zinc/76/81/63/494768163.db2.gz SAWQSCITNYKCIJ-INIZCTEOSA-N 0 3 350.409 3.201 20 30 FGEDHN N#Cc1csc(CNCCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000132094237 494819057 /nfs/dbraw/zinc/81/90/57/494819057.db2.gz LRISVZZPFLFNKW-UHFFFAOYSA-N 0 3 360.914 3.185 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000109290533 494855295 /nfs/dbraw/zinc/85/52/95/494855295.db2.gz KXPRLLDNOJJTEA-PXNSSMCTSA-N 0 3 357.498 3.198 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCCCO1 ZINC000121834731 494870834 /nfs/dbraw/zinc/87/08/34/494870834.db2.gz PYKNTKRLWMSMSJ-AWEZNQCLSA-N 0 3 361.511 3.328 20 30 FGEDHN CS[C@H]1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000117509123 494926885 /nfs/dbraw/zinc/92/68/85/494926885.db2.gz HCGIAXUGORRDSV-MOPGFXCFSA-N 0 3 374.554 3.306 20 30 FGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1OCC(F)(F)F ZINC000122120979 494927154 /nfs/dbraw/zinc/92/71/54/494927154.db2.gz UAQVBDBEWRRTEG-LBPRGKRZSA-N 0 3 374.322 3.399 20 30 FGEDHN C#CCN1CCC(C(=O)NCCc2nc(C3CCCCC3)cs2)CC1 ZINC000109976233 494936009 /nfs/dbraw/zinc/93/60/09/494936009.db2.gz NLJNSEOUYQZNGZ-UHFFFAOYSA-N 0 3 359.539 3.195 20 30 FGEDHN Cc1ncsc1C(=O)NC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118395412 495000196 /nfs/dbraw/zinc/00/01/96/495000196.db2.gz PNPKSVJOTFATHI-CQSZACIVSA-N 0 3 354.479 3.279 20 30 FGEDHN C=CCOc1ccc(C(=O)NCc2ccccc2OCCN(C)C)cc1 ZINC000122757516 495026865 /nfs/dbraw/zinc/02/68/65/495026865.db2.gz DSGYQJRSTVWCCC-UHFFFAOYSA-N 0 3 354.450 3.122 20 30 FGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000122826996 495036897 /nfs/dbraw/zinc/03/68/97/495036897.db2.gz RXMGBDKFGBRPHL-UHFFFAOYSA-N 0 3 365.477 3.283 20 30 FGEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000133698226 495048559 /nfs/dbraw/zinc/04/85/59/495048559.db2.gz NABJMLXFBFDODV-CJNGLKHVSA-N 0 3 362.376 3.250 20 30 FGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000577593907 505761174 /nfs/dbraw/zinc/76/11/74/505761174.db2.gz AQJGHYAPOJJYMY-WSTZPKSXSA-N 0 3 352.482 3.204 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC000134292314 495131358 /nfs/dbraw/zinc/13/13/58/495131358.db2.gz QFSXROOOKLARBT-UHFFFAOYSA-N 0 3 360.498 3.138 20 30 FGEDHN CCC(=O)N1CC[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000134517775 495161889 /nfs/dbraw/zinc/16/18/89/495161889.db2.gz AWZLONWEMXPXND-HXUWFJFHSA-N 0 3 363.461 3.238 20 30 FGEDHN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)CCN1Cc1ccccc1 ZINC000119456101 495171134 /nfs/dbraw/zinc/17/11/34/495171134.db2.gz JQGCAVQKMUTTIG-UHFFFAOYSA-N 0 3 359.477 3.302 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000134923901 495224534 /nfs/dbraw/zinc/22/45/34/495224534.db2.gz IOQLYZZURZTBFH-ZSZQSSIHSA-N 0 3 370.497 3.044 20 30 FGEDHN N#CCSc1cccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000119770230 495237305 /nfs/dbraw/zinc/23/73/05/495237305.db2.gz FULQDWWIMGNPPX-SFHVURJKSA-N 0 3 373.522 3.019 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3CCCO3)sc2C1 ZINC000103480669 495241840 /nfs/dbraw/zinc/24/18/40/495241840.db2.gz WFZMOCPXVXXMAZ-KGLIPLIRSA-N 0 3 361.511 3.184 20 30 FGEDHN CN(C(=O)COc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000113093157 495274170 /nfs/dbraw/zinc/27/41/70/495274170.db2.gz DFILVZPYHKKVNB-UHFFFAOYSA-N 0 3 363.461 3.060 20 30 FGEDHN Cc1nn(C)c2ncc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc12 ZINC000119958808 495278027 /nfs/dbraw/zinc/27/80/27/495278027.db2.gz OVOZZEPGEMLBNS-UHFFFAOYSA-N 0 3 360.465 3.225 20 30 FGEDHN OCC1CCN(Cc2ccccc2NCC#Cc2ccc(F)cc2)CC1 ZINC000135565381 495312526 /nfs/dbraw/zinc/31/25/26/495312526.db2.gz SKLFBWVZLMMPFH-UHFFFAOYSA-N 0 3 352.453 3.494 20 30 FGEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000577684466 505774859 /nfs/dbraw/zinc/77/48/59/505774859.db2.gz HLPUCRTVSNWPJP-JLTOFOAXSA-N 0 3 369.490 3.147 20 30 FGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000105462874 495365534 /nfs/dbraw/zinc/36/55/34/495365534.db2.gz LDBXZERIYXRQPE-MRXNPFEDSA-N 0 3 352.457 3.300 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000106039046 495407204 /nfs/dbraw/zinc/40/72/04/495407204.db2.gz NUZJIGBVLQTEGA-UHFFFAOYSA-N 0 3 367.287 3.228 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000106340695 495446468 /nfs/dbraw/zinc/44/64/68/495446468.db2.gz HACPYPKZHSEDLJ-OAQYLSRUSA-N 0 3 371.525 3.418 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(C)c(C)o1 ZINC000138148376 495456034 /nfs/dbraw/zinc/45/60/34/495456034.db2.gz YRHOUPBJBDDGDP-UHFFFAOYSA-N 0 3 361.515 3.390 20 30 FGEDHN CCN1CCN(c2ccc(CNCc3cccc(C#N)c3)cc2F)CC1 ZINC000106487386 495459278 /nfs/dbraw/zinc/45/92/78/495459278.db2.gz CSTMDLPOKCHQMY-UHFFFAOYSA-N 0 3 352.457 3.129 20 30 FGEDHN N#Cc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000140224368 495491159 /nfs/dbraw/zinc/49/11/59/495491159.db2.gz LYQAMQDWVQCHJD-INIZCTEOSA-N 0 3 369.490 3.027 20 30 FGEDHN C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)N(C)C1CC1 ZINC000115360915 495494845 /nfs/dbraw/zinc/49/48/45/495494845.db2.gz JHXUUDXDAVIACI-INIZCTEOSA-N 0 3 363.461 3.350 20 30 FGEDHN CCN(CC)CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000131178112 495502182 /nfs/dbraw/zinc/50/21/82/495502182.db2.gz WKPVKRQOMFPLEP-UHFFFAOYSA-N 0 3 369.494 3.222 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000574512321 505788944 /nfs/dbraw/zinc/78/89/44/505788944.db2.gz PIQYJNMYZPOEQH-HUUCEWRRSA-N 0 3 374.428 3.290 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000574512304 505789231 /nfs/dbraw/zinc/78/92/31/505789231.db2.gz PIQYJNMYZPOEQH-CABCVRRESA-N 0 3 374.428 3.290 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000179376652 495567574 /nfs/dbraw/zinc/56/75/74/495567574.db2.gz HVBNTDYRDHZFPG-UHFFFAOYSA-N 0 3 351.288 3.446 20 30 FGEDHN COC(=O)[C@H](C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000154393711 495603678 /nfs/dbraw/zinc/60/36/78/495603678.db2.gz RTFLZLPMYDRXRB-WCQYABFASA-N 0 3 360.460 3.281 20 30 FGEDHN COc1ccccc1N1CC[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000154407122 495606943 /nfs/dbraw/zinc/60/69/43/495606943.db2.gz RHFMJABFTPZIGX-WMZOPIPTSA-N 0 3 351.450 3.355 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000176337964 495607218 /nfs/dbraw/zinc/60/72/18/495607218.db2.gz BUQXZXDRCQPFQB-QZTJIDSGSA-N 0 3 351.535 3.262 20 30 FGEDHN C=CCC[C@H](NC(=O)NC[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC000159116426 495663222 /nfs/dbraw/zinc/66/32/22/495663222.db2.gz NZEIYADAGXJINL-FPOVZHCZSA-N 0 3 372.557 3.267 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000150928953 495684933 /nfs/dbraw/zinc/68/49/33/495684933.db2.gz YOBZXPFIAVAOHW-NHCUHLMSSA-N 0 3 371.525 3.464 20 30 FGEDHN Cc1oc2ccccc2c1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000568873555 505797653 /nfs/dbraw/zinc/79/76/53/505797653.db2.gz DKHFLANNBRAFHU-QGZVFWFLSA-N 0 3 350.418 3.337 20 30 FGEDHN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000173843621 495715905 /nfs/dbraw/zinc/71/59/05/495715905.db2.gz NSKNZNGHWXJSRG-INIZCTEOSA-N 0 3 371.506 3.237 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(C2CCCC2)n1 ZINC000151037043 495717894 /nfs/dbraw/zinc/71/78/94/495717894.db2.gz LZLXQIVGDIRFTL-UHFFFAOYSA-N 0 3 365.481 3.074 20 30 FGEDHN CN(CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C)Cc1ccccc1 ZINC000171152530 495745510 /nfs/dbraw/zinc/74/55/10/495745510.db2.gz DDLWGECBKOOROD-UHFFFAOYSA-N 0 3 353.470 3.368 20 30 FGEDHN COC(=O)[C@@H](N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000176714554 495760145 /nfs/dbraw/zinc/76/01/45/495760145.db2.gz STZUXUPTNAXQNT-RTWAWAEBSA-N 0 3 363.461 3.199 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000171308633 495814328 /nfs/dbraw/zinc/81/43/28/495814328.db2.gz IIKBROYJOCWZPY-UHFFFAOYSA-N 0 3 362.477 3.494 20 30 FGEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171318029 495819222 /nfs/dbraw/zinc/81/92/22/495819222.db2.gz POLUGHICYZCAGN-IAGOWNOFSA-N 0 3 354.498 3.353 20 30 FGEDHN CC[C@@H]1Oc2cc([C@@H](C)NCCOc3cccc(C#N)c3)ccc2NC1=O ZINC000180031707 495830314 /nfs/dbraw/zinc/83/03/14/495830314.db2.gz HGEHYNZMOCFKDW-KUHUBIRLSA-N 0 3 365.433 3.397 20 30 FGEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000183148808 495855046 /nfs/dbraw/zinc/85/50/46/495855046.db2.gz RACREHOYDVTCED-OAHLLOKOSA-N 0 3 359.433 3.342 20 30 FGEDHN CCN1CCN(c2ccc(CNCc3ccc(C#N)s3)cc2F)CC1 ZINC000176965589 495860417 /nfs/dbraw/zinc/86/04/17/495860417.db2.gz POJWNYNMVPWMFP-UHFFFAOYSA-N 0 3 358.486 3.191 20 30 FGEDHN Cn1cc(CNCc2ccc3c(c2)OCCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000180163376 495886448 /nfs/dbraw/zinc/88/64/48/495886448.db2.gz KIJPYQSRXSRGTE-UHFFFAOYSA-N 0 3 374.444 3.410 20 30 FGEDHN N#Cc1cccc(-c2nnc(N3CC[C@H](N4CCCCC4)C3)n2C2CC2)c1 ZINC000571767587 505810585 /nfs/dbraw/zinc/81/05/85/505810585.db2.gz BIDXKXLXCKYTLX-IBGZPJMESA-N 0 3 362.481 3.216 20 30 FGEDHN Cn1cc(CN2CC[C@H](Oc3cccnc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180206328 495906187 /nfs/dbraw/zinc/90/61/87/495906187.db2.gz PXLYVRIVIZYUOL-FQEVSTJZSA-N 0 3 359.433 3.007 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000160220347 495912803 /nfs/dbraw/zinc/91/28/03/495912803.db2.gz IDZRLERYNVYGKK-UTKZUKDTSA-N 0 3 362.477 3.363 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000174424217 495953413 /nfs/dbraw/zinc/95/34/13/495953413.db2.gz AHCIYLCBBFPVNC-UHFFFAOYSA-N 0 3 356.239 3.360 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(OCC(F)F)c2)CC1 ZINC000171639871 495961058 /nfs/dbraw/zinc/96/10/58/495961058.db2.gz SKZNEWCDZLUYJX-UHFFFAOYSA-N 0 3 353.413 3.411 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000151845630 495966011 /nfs/dbraw/zinc/96/60/11/495966011.db2.gz XZEKXKDERITSJN-UHFFFAOYSA-N 0 3 355.438 3.142 20 30 FGEDHN Cc1sc(NC(=O)CN2CCN(C3CCC(C)CC3)CC2)c(C#N)c1C ZINC000177186029 495966952 /nfs/dbraw/zinc/96/69/52/495966952.db2.gz PSAXJZSRINLVLV-UHFFFAOYSA-N 0 3 374.554 3.371 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)cc3nc(C)c(C)nc32)CC1 ZINC000171730729 496011247 /nfs/dbraw/zinc/01/12/47/496011247.db2.gz QAGRXMPQFRWHQB-UHFFFAOYSA-N 0 3 356.445 3.156 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000171733899 496012265 /nfs/dbraw/zinc/01/22/65/496012265.db2.gz LZOOLANSXDXUTB-HXUWFJFHSA-N 0 3 350.466 3.121 20 30 FGEDHN CCC[C@H]1C[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCO1 ZINC000180478205 496013697 /nfs/dbraw/zinc/01/36/97/496013697.db2.gz HJFVRHHTIGYVNK-UXHICEINSA-N 0 3 357.498 3.044 20 30 FGEDHN C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000155649337 496025201 /nfs/dbraw/zinc/02/52/01/496025201.db2.gz OWDGEYLQONAZJV-UHFFFAOYSA-N 0 3 352.438 3.308 20 30 FGEDHN COC(=O)[C@@H](C)[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000152046650 496031907 /nfs/dbraw/zinc/03/19/07/496031907.db2.gz VAECKOWDHJEWSB-SUMWQHHRSA-N 0 3 371.462 3.088 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)CC(C)(C)O)CC1 ZINC000180544929 496038871 /nfs/dbraw/zinc/03/88/71/496038871.db2.gz DSMNWCAVQXONBB-UHFFFAOYSA-N 0 3 359.514 3.010 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Br)n2)CC1 ZINC000183616405 496050055 /nfs/dbraw/zinc/05/00/55/496050055.db2.gz QWKWDZNREHDQSZ-UHFFFAOYSA-N 0 3 353.264 3.006 20 30 FGEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000180628130 496076813 /nfs/dbraw/zinc/07/68/13/496076813.db2.gz LBRMSZKQIDMYDX-KBXCAEBGSA-N 0 3 365.433 3.397 20 30 FGEDHN CCN(CC(=O)Nc1sccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183755852 496105164 /nfs/dbraw/zinc/10/51/64/496105164.db2.gz LADJSZFQQBPJNK-SFHVURJKSA-N 0 3 368.506 3.155 20 30 FGEDHN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(C)(C)CCC#N ZINC000161126576 496109158 /nfs/dbraw/zinc/10/91/58/496109158.db2.gz HLCZTHDPIUOPJA-KRWDZBQOSA-N 0 3 374.481 3.496 20 30 FGEDHN Cc1cc(C)n(-c2ccccc2CNCc2cnc3ccc(C#N)cn23)n1 ZINC000152302907 496109636 /nfs/dbraw/zinc/10/96/36/496109636.db2.gz KRPOPUIHLFGYLD-UHFFFAOYSA-N 0 3 356.433 3.298 20 30 FGEDHN N#Cc1ccc(CNCCOc2ccc3c(c2)OCO3)c(C(F)(F)F)c1 ZINC000580743475 505827003 /nfs/dbraw/zinc/82/70/03/505827003.db2.gz DMESVIKANPLTPU-UHFFFAOYSA-N 0 3 364.323 3.474 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1sccc1C#N ZINC000161570477 496199333 /nfs/dbraw/zinc/19/93/33/496199333.db2.gz ZTNYTLZZDNYRDA-QGZVFWFLSA-N 0 3 369.490 3.452 20 30 FGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000571865629 505832586 /nfs/dbraw/zinc/83/25/86/505832586.db2.gz XHNNUDHVLFVUIX-OAQYLSRUSA-N 0 3 362.477 3.367 20 30 FGEDHN C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000175158878 496270989 /nfs/dbraw/zinc/27/09/89/496270989.db2.gz KXEBCKJAOXYTEP-GOSISDBHSA-N 0 3 362.477 3.364 20 30 FGEDHN N#Cc1cccc(CNC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000577994697 505836841 /nfs/dbraw/zinc/83/68/41/505836841.db2.gz RHZXEPWIQLDQKR-FGZHOGPDSA-N 0 3 374.488 3.222 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCC[C@@]2(C)CO)c1C#N ZINC000578003712 505839602 /nfs/dbraw/zinc/83/96/02/505839602.db2.gz HEXNGRULHVGUNJ-RXVVDRJESA-N 0 3 372.513 3.171 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000187389840 496422190 /nfs/dbraw/zinc/42/21/90/496422190.db2.gz CRURMYPPBJUKAL-NRFANRHFSA-N 0 3 362.477 3.268 20 30 FGEDHN COc1ccc(C[C@H](C)CN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000153340887 496425261 /nfs/dbraw/zinc/42/52/61/496425261.db2.gz GPNMSDHLZMRIKQ-XGHQBKJUSA-N 0 3 359.514 3.249 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3F)c2C)CC1 ZINC000157372963 496465645 /nfs/dbraw/zinc/46/56/45/496465645.db2.gz PUEXEPVNTDSTMI-UHFFFAOYSA-N 0 3 371.460 3.482 20 30 FGEDHN Cc1cnc(CCN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000157498511 496489289 /nfs/dbraw/zinc/48/92/89/496489289.db2.gz OBIIQEPQWMBHTB-UHFFFAOYSA-N 0 3 374.535 3.377 20 30 FGEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000181663921 496493341 /nfs/dbraw/zinc/49/33/41/496493341.db2.gz DMXDUWXZPWFOJS-HXUWFJFHSA-N 0 3 374.481 3.328 20 30 FGEDHN CN(Cc1ccc(C#N)cc1)CC1(CN(C)Cc2ccc(C#N)cc2)COC1 ZINC000157622804 496517696 /nfs/dbraw/zinc/51/76/96/496517696.db2.gz QBERQSZNXQYOJV-UHFFFAOYSA-N 0 3 374.488 3.010 20 30 FGEDHN CCN1CC[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729418 496518547 /nfs/dbraw/zinc/51/85/47/496518547.db2.gz BWDWOXFRABQCFO-XLIONFOSSA-N 0 3 366.509 3.400 20 30 FGEDHN CC[C@@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178628751 496522151 /nfs/dbraw/zinc/52/21/51/496522151.db2.gz IKBVVZGRAIDXRA-CVEARBPZSA-N 0 3 372.513 3.086 20 30 FGEDHN C[C@H](CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000574760781 505849565 /nfs/dbraw/zinc/84/95/65/505849565.db2.gz ZOUKKQIACYAAGK-CVEARBPZSA-N 0 3 353.422 3.453 20 30 FGEDHN C=CCN1CCC(NC(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000173101948 496550010 /nfs/dbraw/zinc/55/00/10/496550010.db2.gz FMWROYPTNGCTGX-UHFFFAOYSA-N 0 3 373.316 3.208 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000178778946 496567336 /nfs/dbraw/zinc/56/73/36/496567336.db2.gz QMUJUYXDKWRYKN-FXAWDEMLSA-N 0 3 357.498 3.104 20 30 FGEDHN CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(OC)c(OC)c1 ZINC000164384751 496608960 /nfs/dbraw/zinc/60/89/60/496608960.db2.gz ZLJYOKDLHYDSJV-UHFFFAOYSA-N 0 3 367.449 3.426 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CSc1ccc(C#N)cc1 ZINC000182090652 496667080 /nfs/dbraw/zinc/66/70/80/496667080.db2.gz BXRPJGSKZSADNA-MRXNPFEDSA-N 0 3 353.491 3.287 20 30 FGEDHN N#CCCn1cc(CN(CCO)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000158294353 496670701 /nfs/dbraw/zinc/67/07/01/496670701.db2.gz JFLRAJLOZHNPLX-UHFFFAOYSA-N 0 3 360.461 3.458 20 30 FGEDHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166705687 496691126 /nfs/dbraw/zinc/69/11/26/496691126.db2.gz GCHQKYCDHFPTTA-KSSFIOAISA-N 0 3 351.410 3.184 20 30 FGEDHN CN(CC1CCN(C)CC1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176168507 496711960 /nfs/dbraw/zinc/71/19/60/496711960.db2.gz IUQXJYOOHIJHRW-UHFFFAOYSA-N 0 3 367.415 3.040 20 30 FGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2CC)CC1 ZINC000191366117 496738945 /nfs/dbraw/zinc/73/89/45/496738945.db2.gz ZQRKMXHXIPYJET-UHFFFAOYSA-N 0 3 372.900 3.468 20 30 FGEDHN C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCN(CCO)CC1 ZINC000191434487 496761683 /nfs/dbraw/zinc/76/16/83/496761683.db2.gz LVSXZRNCTKOEMK-UHFFFAOYSA-N 0 3 359.514 3.364 20 30 FGEDHN Cc1c(Cl)cnc(NCc2ccccc2CN2CC[C@@H](O)C2)c1C#N ZINC000273283294 496763300 /nfs/dbraw/zinc/76/33/00/496763300.db2.gz DOIPQJYXBMPRSN-MRXNPFEDSA-N 0 3 356.857 3.094 20 30 FGEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000273476945 496817403 /nfs/dbraw/zinc/81/74/03/496817403.db2.gz KMAXJMPUWTXAMB-KRWDZBQOSA-N 0 3 363.506 3.450 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2cn(C)c3cc(C)ccc23)CC1 ZINC000188565360 496834243 /nfs/dbraw/zinc/83/42/43/496834243.db2.gz ICNBOMBRBJHZSK-UHFFFAOYSA-N 0 3 368.525 3.369 20 30 FGEDHN CN1CCN(CCCNCc2ccc(C#N)s2)[C@@H](c2ccccc2)C1 ZINC000247347170 496842049 /nfs/dbraw/zinc/84/20/49/496842049.db2.gz OPCVGGDIELZENL-HXUWFJFHSA-N 0 3 354.523 3.088 20 30 FGEDHN Cc1cc(NCc2cc(C#N)n(C)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000191679423 496853634 /nfs/dbraw/zinc/85/36/34/496853634.db2.gz QAISYTHRJMLVAR-UHFFFAOYSA-N 0 3 351.498 3.348 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000264357293 496881349 /nfs/dbraw/zinc/88/13/49/496881349.db2.gz NUULIHBKONELEB-UHFFFAOYSA-N 0 3 366.303 3.241 20 30 FGEDHN COc1ccc(CNC[C@@H](O)Cc2ccccc2)cc1OCCCC#N ZINC000264369448 496883882 /nfs/dbraw/zinc/88/38/82/496883882.db2.gz LJGQOUOTDYILKJ-IBGZPJMESA-N 0 3 354.450 3.071 20 30 FGEDHN N#CC(CCNC1(CO)CCOCC1)(c1ccccc1)c1ccccc1 ZINC000277803123 496892655 /nfs/dbraw/zinc/89/26/55/496892655.db2.gz UFLBYVBUDLZBGO-UHFFFAOYSA-N 0 3 350.462 3.017 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2nc(C(C)(C)C)cs2)CC1 ZINC000264404211 496893074 /nfs/dbraw/zinc/89/30/74/496893074.db2.gz RFNAEIZEKNIMPC-UHFFFAOYSA-N 0 3 364.559 3.323 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000264436552 496900297 /nfs/dbraw/zinc/90/02/97/496900297.db2.gz YJRLIMGRETWRKK-UHFFFAOYSA-N 0 3 356.470 3.197 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000188769404 496903013 /nfs/dbraw/zinc/90/30/13/496903013.db2.gz MHZARMHRQJIPHG-UHFFFAOYSA-N 0 3 371.485 3.246 20 30 FGEDHN N#Cc1ccc(CNC2CCN(C(=O)c3ccccc3F)CC2)c(F)c1 ZINC000269416988 496941696 /nfs/dbraw/zinc/94/16/96/496941696.db2.gz KQUKSUOYVJMSBB-UHFFFAOYSA-N 0 3 355.388 3.231 20 30 FGEDHN COc1ccc(CNCCOc2ncccc2F)cc1OCCCC#N ZINC000269499843 496960168 /nfs/dbraw/zinc/96/01/68/496960168.db2.gz PTCYRZIGEJIHGE-UHFFFAOYSA-N 0 3 359.401 3.080 20 30 FGEDHN CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1C#N ZINC000269819843 497006930 /nfs/dbraw/zinc/00/69/30/497006930.db2.gz IJVBRPOBVCTFSW-CJNGLKHVSA-N 0 3 373.457 3.073 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)ccc1OC ZINC000269898788 497020731 /nfs/dbraw/zinc/02/07/31/497020731.db2.gz FASNRVONWIQAHR-WOJBJXKFSA-N 0 3 371.477 3.224 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000248648466 497071768 /nfs/dbraw/zinc/07/17/68/497071768.db2.gz UQVZJIUXFBSAFT-FTRWYGJKSA-N 0 3 351.450 3.133 20 30 FGEDHN CC1(C)CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000248796872 497105658 /nfs/dbraw/zinc/10/56/58/497105658.db2.gz PFKBORQOSYCKPS-GDBMZVCRSA-N 0 3 356.388 3.208 20 30 FGEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000278554653 497152044 /nfs/dbraw/zinc/15/20/44/497152044.db2.gz UPTOMFZXBBJFPA-MRXNPFEDSA-N 0 3 370.497 3.205 20 30 FGEDHN CC(C)CO[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000249044781 497153087 /nfs/dbraw/zinc/15/30/87/497153087.db2.gz NPWZZCPSXAGONV-XUVXKRRUSA-N 0 3 369.509 3.088 20 30 FGEDHN CN1CCN(CCCSc2nc(-c3ccccc3)ccc2C#N)CC1 ZINC000274768286 497160645 /nfs/dbraw/zinc/16/06/45/497160645.db2.gz TWLANUBKTUJMOF-UHFFFAOYSA-N 0 3 352.507 3.350 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H](CCCO)c3ccccc3)C2=O)cc1 ZINC000192737253 497200335 /nfs/dbraw/zinc/20/03/35/497200335.db2.gz JNBAMIRIBSWATG-NHCUHLMSSA-N 0 3 363.461 3.157 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000278723043 497200967 /nfs/dbraw/zinc/20/09/67/497200967.db2.gz VGJZQMCWOSLSRN-WBMJQRKESA-N 0 3 373.434 3.164 20 30 FGEDHN COc1ccc([C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)cc1 ZINC000192789109 497214229 /nfs/dbraw/zinc/21/42/29/497214229.db2.gz CHXPZLDVLKXTGN-LJQANCHMSA-N 0 3 353.422 3.456 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@]2(CO)CC[C@@H](C)C2)c1C ZINC000249595088 497225957 /nfs/dbraw/zinc/22/59/57/497225957.db2.gz WOICGBUKXOFVQB-IERDGZPVSA-N 0 3 357.498 3.033 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC2(CCOCC2)C1 ZINC000266049852 497241608 /nfs/dbraw/zinc/24/16/08/497241608.db2.gz YKBJKICQIMRDCL-GOSISDBHSA-N 0 3 355.482 3.214 20 30 FGEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C#N)cc1 ZINC000278866936 497248308 /nfs/dbraw/zinc/24/83/08/497248308.db2.gz WSAXZXGFOBIURH-SFTDATJTSA-N 0 3 358.445 3.272 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)nn1CCC#N ZINC000271088570 497261583 /nfs/dbraw/zinc/26/15/83/497261583.db2.gz UAMQUCCMIRBVMN-UHFFFAOYSA-N 0 3 351.454 3.343 20 30 FGEDHN C=CCN(CC(F)(F)F)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271097456 497263214 /nfs/dbraw/zinc/26/32/14/497263214.db2.gz WLOUKEOYEXIXBN-UHFFFAOYSA-N 0 3 370.415 3.081 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000278934752 497272484 /nfs/dbraw/zinc/27/24/84/497272484.db2.gz TVLVHAUHYXULNK-FQEVSTJZSA-N 0 3 350.466 3.004 20 30 FGEDHN N#Cc1ccc2ncc(CNCCOc3cccc(C(F)(F)F)c3)n2c1 ZINC000237687580 497275995 /nfs/dbraw/zinc/27/59/95/497275995.db2.gz ZAACVDHVYIKZMS-UHFFFAOYSA-N 0 3 360.339 3.393 20 30 FGEDHN Cc1nc(CCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000271220264 497294640 /nfs/dbraw/zinc/29/46/40/497294640.db2.gz JYNPWGHZFRHISY-UHFFFAOYSA-N 0 3 354.479 3.216 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000252348556 497298930 /nfs/dbraw/zinc/29/89/30/497298930.db2.gz CSJPCXITENRSMM-IAGOWNOFSA-N 0 3 372.538 3.189 20 30 FGEDHN C=C(C)COc1cc(CN2CCC(Cn3cncn3)CC2)ccc1OC ZINC000189970566 497309510 /nfs/dbraw/zinc/30/95/10/497309510.db2.gz YAMTZXIIQYZNRL-UHFFFAOYSA-N 0 3 356.470 3.154 20 30 FGEDHN Cc1nc2c(cccc2C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000279210386 497368691 /nfs/dbraw/zinc/36/86/91/497368691.db2.gz BTANERMPKAICEL-UHFFFAOYSA-N 0 3 362.433 3.212 20 30 FGEDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000271666903 497413291 /nfs/dbraw/zinc/41/32/91/497413291.db2.gz MKAXWAXMBQHSBK-CYBMUJFWSA-N 0 3 368.393 3.154 20 30 FGEDHN CCOc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1F ZINC000279373382 497420535 /nfs/dbraw/zinc/42/05/35/497420535.db2.gz SBMIQQDJLMAKIO-QGZVFWFLSA-N 0 3 351.381 3.095 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)[C@@H](O)c2ccccc2)CC1 ZINC000279449465 497441688 /nfs/dbraw/zinc/44/16/88/497441688.db2.gz FYRKUULQZPPAPK-UXHICEINSA-N 0 3 359.514 3.228 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2CCN(c3ccccc3)CC2)CC1 ZINC000279545090 497468284 /nfs/dbraw/zinc/46/82/84/497468284.db2.gz NPGAVJMGJNYKNJ-UHFFFAOYSA-N 0 3 370.541 3.243 20 30 FGEDHN CN(CCCc1nc2ccccc2[nH]1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279655357 497499710 /nfs/dbraw/zinc/49/97/10/497499710.db2.gz YAJPDNJQUYUOFP-GOSISDBHSA-N 0 3 371.444 3.208 20 30 FGEDHN Cc1cc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)nn1CCC#N ZINC000272015608 497513201 /nfs/dbraw/zinc/51/32/01/497513201.db2.gz BJFKLQJOZIBOIS-OAHLLOKOSA-N 0 3 372.498 3.125 20 30 FGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190615284 497546742 /nfs/dbraw/zinc/54/67/42/497546742.db2.gz BVDJSUHDSUELDM-VGOFRKELSA-N 0 3 373.456 3.022 20 30 FGEDHN C[C@@H](CCC#N)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000276340058 497550048 /nfs/dbraw/zinc/55/00/48/497550048.db2.gz SYXGPFBQNQDIPK-STQMWFEESA-N 0 3 365.275 3.187 20 30 FGEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000272313009 497593448 /nfs/dbraw/zinc/59/34/48/497593448.db2.gz UCYUSCHAZUVSSB-AWEZNQCLSA-N 0 3 355.463 3.270 20 30 FGEDHN COC1CCN(C2(CNC(=O)[C@@]3(C#N)CC34CCCC4)CCCC2)CC1 ZINC000575083155 505916835 /nfs/dbraw/zinc/91/68/35/505916835.db2.gz HRLZXPYNIWPFRI-NRFANRHFSA-N 0 3 359.514 3.000 20 30 FGEDHN CCC[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccn1 ZINC000578342222 505918538 /nfs/dbraw/zinc/91/85/38/505918538.db2.gz NVWMYGRRZBOWPZ-FQEVSTJZSA-N 0 3 364.493 3.427 20 30 FGEDHN CO[C@H]1CCC[C@H](CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000280030032 497624981 /nfs/dbraw/zinc/62/49/81/497624981.db2.gz VYGSABSQKCOSEW-PMACEKPBSA-N 0 3 357.498 3.044 20 30 FGEDHN N#CC(C(=O)c1cccc(NC(=O)C2CC2)c1)c1cnc2ccccc2n1 ZINC000190922349 497647211 /nfs/dbraw/zinc/64/72/11/497647211.db2.gz FJIGRFZMAMXIQT-INIZCTEOSA-N 0 3 356.385 3.468 20 30 FGEDHN CN(c1ccccc1)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280127248 497657582 /nfs/dbraw/zinc/65/75/82/497657582.db2.gz QIUUHTOHTCCCAR-FQEVSTJZSA-N 0 3 372.472 3.368 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCC#N)c2)CN1Cc1ccccc1 ZINC000268117692 497680974 /nfs/dbraw/zinc/68/09/74/497680974.db2.gz FCHVFAZYXHBKND-QFBILLFUSA-N 0 3 364.449 3.373 20 30 FGEDHN COc1cccc(COC[C@H](O)CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194539553 497698558 /nfs/dbraw/zinc/69/85/58/497698558.db2.gz TYWWTFGPKYVISB-OAQYLSRUSA-N 0 3 366.461 3.109 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000280417201 497746819 /nfs/dbraw/zinc/74/68/19/497746819.db2.gz LTOPYEQORARNPH-VXKWHMMOSA-N 0 3 373.456 3.306 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(C#N)c1C ZINC000246516310 497760352 /nfs/dbraw/zinc/76/03/52/497760352.db2.gz IOQLYZZURZTBFH-URLQWDBASA-N 0 3 370.497 3.044 20 30 FGEDHN Cc1nc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)sc1C ZINC000194791212 497773330 /nfs/dbraw/zinc/77/33/30/497773330.db2.gz VLVHONDTHIUCKQ-UHFFFAOYSA-N 0 3 357.483 3.227 20 30 FGEDHN N#Cc1cnc2ccccc2c1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000273050990 497790695 /nfs/dbraw/zinc/79/06/95/497790695.db2.gz BNRDVEYHXJDKRT-IBGZPJMESA-N 0 3 358.445 3.285 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(O)c(OC)cc1Br ZINC000280677244 497852931 /nfs/dbraw/zinc/85/29/31/497852931.db2.gz MVRJTNKBUATPTM-BZNIZROVSA-N 0 3 356.260 3.234 20 30 FGEDHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@@]34CCOC4)c2)CC1 ZINC000329667025 497861459 /nfs/dbraw/zinc/86/14/59/497861459.db2.gz QLJIFSQCZRSBMJ-FXAWDEMLSA-N 0 3 357.454 3.448 20 30 FGEDHN N#Cc1ccc(CC(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 ZINC000299634731 497875307 /nfs/dbraw/zinc/87/53/07/497875307.db2.gz SQSLSJJUBQXEQZ-UHFFFAOYSA-N 0 3 359.473 3.150 20 30 FGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)[C@H]1OCCc2sccc21 ZINC000292117433 497885601 /nfs/dbraw/zinc/88/56/01/497885601.db2.gz ACIRWIHAJJYPRX-ORAYPTAESA-N 0 3 358.463 3.299 20 30 FGEDHN C[C@]1(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCO[C@H]1C1CC1 ZINC000329754613 497889206 /nfs/dbraw/zinc/88/92/06/497889206.db2.gz KXQNWAIKAPASFK-DYXWJJEUSA-N 0 3 357.498 3.112 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000572350143 505947439 /nfs/dbraw/zinc/94/74/39/505947439.db2.gz RBTSUJROHHAZMT-QZTJIDSGSA-N 0 3 351.425 3.293 20 30 FGEDHN COc1ccc(N2CCN(CCCNc3ccc(C#N)cc3)CC2)cc1 ZINC000301096283 497949375 /nfs/dbraw/zinc/94/93/75/497949375.db2.gz PIOMEXKPKLFUNN-UHFFFAOYSA-N 0 3 350.466 3.191 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000296213353 497957553 /nfs/dbraw/zinc/95/75/53/497957553.db2.gz FGHJBAMZYPUXII-PXNSSMCTSA-N 0 3 354.498 3.341 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000284996696 497964376 /nfs/dbraw/zinc/96/43/76/497964376.db2.gz SFWCICZDCJGLRC-UHFFFAOYSA-N 0 3 363.461 3.156 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CC[C@H](n4cncn4)C3)c2)c1 ZINC000364513521 497995607 /nfs/dbraw/zinc/99/56/07/497995607.db2.gz UXYYKLMQDJVWQR-FQEVSTJZSA-N 0 3 359.433 3.176 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC000330144475 498039336 /nfs/dbraw/zinc/03/93/36/498039336.db2.gz KQSSUQTVZYVRBE-OAGGEKHMSA-N 0 3 361.486 3.112 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000364607701 498046628 /nfs/dbraw/zinc/04/66/28/498046628.db2.gz OTVWWZLRNRJURG-KAGYGMCKSA-N 0 3 374.525 3.423 20 30 FGEDHN CN(C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000292608232 498078048 /nfs/dbraw/zinc/07/80/48/498078048.db2.gz IMBVNABBVLTUKG-OAHLLOKOSA-N 0 3 362.355 3.005 20 30 FGEDHN CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000330248565 498078597 /nfs/dbraw/zinc/07/85/97/498078597.db2.gz GEONPWVEWMGRTL-ROUUACIJSA-N 0 3 361.534 3.464 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281268564 498080811 /nfs/dbraw/zinc/08/08/11/498080811.db2.gz FQPNLTZWXGYTJG-XUMMFJMYSA-N 0 3 355.482 3.147 20 30 FGEDHN O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CCCCN1C1CCCC1 ZINC000330286801 498094201 /nfs/dbraw/zinc/09/42/01/498094201.db2.gz BVBWUNQTQIDVAZ-SFHVURJKSA-N 0 3 358.486 3.303 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)NC[C@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000330322908 498104838 /nfs/dbraw/zinc/10/48/38/498104838.db2.gz HENDWRYJOONZDC-CMKODMSKSA-N 0 3 373.545 3.395 20 30 FGEDHN CC[C@@H]1CN(c2c(C#N)cnc3c(C)cc(C)cc32)CCN1C[C@@H](C)O ZINC000301445314 498113284 /nfs/dbraw/zinc/11/32/84/498113284.db2.gz ZEJOIEMRKSSJOF-SJLPKXTDSA-N 0 3 352.482 3.005 20 30 FGEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000330404510 498126206 /nfs/dbraw/zinc/12/62/06/498126206.db2.gz MYHURPPIKCYKEG-OAHLLOKOSA-N 0 3 360.502 3.415 20 30 FGEDHN CCOC1CC2(C1)CCN(CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000285569665 498133252 /nfs/dbraw/zinc/13/32/52/498133252.db2.gz TZOXZQKLSABZJS-UHFFFAOYSA-N 0 3 373.522 3.328 20 30 FGEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc(Br)c1OC ZINC000330479247 498139692 /nfs/dbraw/zinc/13/96/92/498139692.db2.gz YVHIOPREEAETCA-CMPLNLGQSA-N 0 3 371.275 3.254 20 30 FGEDHN CC[C@H](CC#N)N[C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000364841991 498168892 /nfs/dbraw/zinc/16/88/92/498168892.db2.gz TWHIVXWWVPDPCE-YYIAUSFCSA-N 0 3 351.491 3.073 20 30 FGEDHN COc1ccc(OC(C)C)c(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000330714823 498179621 /nfs/dbraw/zinc/17/96/21/498179621.db2.gz SGSLOPTXVKHIOG-NVXWUHKLSA-N 0 3 367.515 3.005 20 30 FGEDHN Cc1nc(SCC(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C#N)c(C)c1C ZINC000330724414 498181898 /nfs/dbraw/zinc/18/18/98/498181898.db2.gz DEPDZMBVWMCPRP-MRXNPFEDSA-N 0 3 374.554 3.159 20 30 FGEDHN CC(C)CN1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000301624805 498194628 /nfs/dbraw/zinc/19/46/28/498194628.db2.gz GAIRTVLBVQNBKY-UHFFFAOYSA-N 0 3 360.408 3.486 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000575742499 505995463 /nfs/dbraw/zinc/99/54/63/505995463.db2.gz HPMWAULHZQGEIN-QMIHWGKISA-N 0 3 374.868 3.317 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2nccs2)C(F)(F)F)CC1 ZINC000296806093 498204049 /nfs/dbraw/zinc/20/40/49/498204049.db2.gz HTVNSAVRJHYKHH-LBPRGKRZSA-N 0 3 362.421 3.086 20 30 FGEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000289597733 498211317 /nfs/dbraw/zinc/21/13/17/498211317.db2.gz BKKOXIWLONRURZ-DOTOQJQBSA-N 0 3 366.465 3.228 20 30 FGEDHN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330910854 498216587 /nfs/dbraw/zinc/21/65/87/498216587.db2.gz PWHHNJIBTSOEDX-ZHALLVOQSA-N 0 3 359.514 3.313 20 30 FGEDHN Cc1cccc(CN2CCC(NC(=O)c3ccccc3OCC#N)CC2)c1 ZINC000359894968 498229197 /nfs/dbraw/zinc/22/91/97/498229197.db2.gz GALWFMIEGUEVOM-UHFFFAOYSA-N 0 3 363.461 3.292 20 30 FGEDHN COc1cc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1OC(C)C ZINC000331006772 498235342 /nfs/dbraw/zinc/23/53/42/498235342.db2.gz SQTIFTLDMDKMCI-PBHICJAKSA-N 0 3 367.515 3.005 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cccnc3OCC(F)F)CC2)cc1 ZINC000285934581 498245715 /nfs/dbraw/zinc/24/57/15/498245715.db2.gz DBWFDGOTIXPGIQ-UHFFFAOYSA-N 0 3 372.419 3.356 20 30 FGEDHN COc1cccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1O ZINC000289809074 498302898 /nfs/dbraw/zinc/30/28/98/498302898.db2.gz SRKKJLYCYWHLOZ-UHFFFAOYSA-N 0 3 356.397 3.455 20 30 FGEDHN CCN1CC[C@H](NCc2cc(C#N)n(C)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000365129847 498312653 /nfs/dbraw/zinc/31/26/53/498312653.db2.gz DNYDPPPKUHQCFZ-PKOBYXMFSA-N 0 3 362.399 3.239 20 30 FGEDHN CC(=O)Nc1ccccc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289862543 498327637 /nfs/dbraw/zinc/32/76/37/498327637.db2.gz QPNAFJNQNAMEKX-UHFFFAOYSA-N 0 3 350.466 3.080 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289861507 498327980 /nfs/dbraw/zinc/32/79/80/498327980.db2.gz PVJIHCUONHKPQG-UHFFFAOYSA-N 0 3 365.437 3.303 20 30 FGEDHN Cc1ccccc1C(=O)NC1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000282029729 498364369 /nfs/dbraw/zinc/36/43/69/498364369.db2.gz PZLGFLLYBWPINQ-UHFFFAOYSA-N 0 3 369.509 3.290 20 30 FGEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000365333771 498409987 /nfs/dbraw/zinc/40/99/87/498409987.db2.gz HFSRDLCGXKXOIJ-FFZOFVMBSA-N 0 3 373.497 3.262 20 30 FGEDHN CC(C)(CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000297377053 498427466 /nfs/dbraw/zinc/42/74/66/498427466.db2.gz GBAYGKZJNCLELT-LPHOPBHVSA-N 0 3 354.498 3.205 20 30 FGEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290142151 498440126 /nfs/dbraw/zinc/44/01/26/498440126.db2.gz MTYPJYZWONUVBF-YLJYHZDGSA-N 0 3 354.494 3.259 20 30 FGEDHN CCC[C@]1(CO)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000290239765 498478242 /nfs/dbraw/zinc/47/82/42/498478242.db2.gz UPZCIGGXDRKNKI-NRFANRHFSA-N 0 3 352.482 3.448 20 30 FGEDHN CN1CC[C@H](CNC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000365484468 498491017 /nfs/dbraw/zinc/49/10/17/498491017.db2.gz ZKMWFNXJVUXLDO-SJLPKXTDSA-N 0 3 354.479 3.112 20 30 FGEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1C#N ZINC000302482474 498492247 /nfs/dbraw/zinc/49/22/47/498492247.db2.gz WRXWQHRUHGZSQG-FQEVSTJZSA-N 0 3 355.869 3.285 20 30 FGEDHN C[C@@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000282438999 498512395 /nfs/dbraw/zinc/51/23/95/498512395.db2.gz MWZDPKFVCWMLAP-QAPCUYQASA-N 0 3 367.424 3.028 20 30 FGEDHN COc1ccc([C@@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1OC ZINC000302818012 498586338 /nfs/dbraw/zinc/58/63/38/498586338.db2.gz CEIHMNKSLRHISE-QGZVFWFLSA-N 0 3 350.422 3.162 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000365703005 498605077 /nfs/dbraw/zinc/60/50/77/498605077.db2.gz GLMKVQUAPKMNID-NJYVYQBISA-N 0 3 359.429 3.277 20 30 FGEDHN CN(C)[C@H](CNCc1nc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000570011562 506068028 /nfs/dbraw/zinc/06/80/28/506068028.db2.gz HZAOUYPELPJFBL-CQSZACIVSA-N 0 3 354.401 3.426 20 30 FGEDHN CCn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC000290823046 498690195 /nfs/dbraw/zinc/69/01/95/498690195.db2.gz AEXOSSSOZDRSOZ-UHFFFAOYSA-N 0 3 366.513 3.179 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C3CC3)CCC2)cc1 ZINC000287430447 498752181 /nfs/dbraw/zinc/75/21/81/498752181.db2.gz VOPMKDMMUOAKHV-CYBMUJFWSA-N 0 3 361.467 3.074 20 30 FGEDHN C=CCC[C@H](CO)NCc1cc(Br)c2c(c1)OCCCO2 ZINC000321026745 498810834 /nfs/dbraw/zinc/81/08/34/498810834.db2.gz PLJSVARDYDFQKM-CYBMUJFWSA-N 0 3 356.260 3.027 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000324317285 498826973 /nfs/dbraw/zinc/82/69/73/498826973.db2.gz UAFPEXIIMGNIQG-MRXNPFEDSA-N 0 3 350.422 3.425 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccc(C(F)(F)F)cc1 ZINC000327348879 498855545 /nfs/dbraw/zinc/85/55/45/498855545.db2.gz GSLHNBOVSXUPMP-INIZCTEOSA-N 0 3 350.340 3.107 20 30 FGEDHN C=CCSCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366312830 498868873 /nfs/dbraw/zinc/86/88/73/498868873.db2.gz HDYONNLBJPOSGA-UHFFFAOYSA-N 0 3 365.465 3.010 20 30 FGEDHN N#CC[C@@H]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333059651 498885121 /nfs/dbraw/zinc/88/51/21/498885121.db2.gz DBBGRZIICTYFQU-IRXDYDNUSA-N 0 3 364.559 3.120 20 30 FGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000328733348 498919557 /nfs/dbraw/zinc/91/95/57/498919557.db2.gz HQNRYILSCKVSQX-RDJZCZTQSA-N 0 3 368.399 3.352 20 30 FGEDHN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C12CCCN1CCC2 ZINC000328752932 498926648 /nfs/dbraw/zinc/92/66/48/498926648.db2.gz DCWVOTWXYFHRAS-OAHLLOKOSA-N 0 3 365.836 3.169 20 30 FGEDHN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328826103 498951470 /nfs/dbraw/zinc/95/14/70/498951470.db2.gz QDHGOUOZSUYBNX-NVRFMJDISA-N 0 3 369.465 3.073 20 30 FGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C2CCOCC2)C1 ZINC000328829598 498952089 /nfs/dbraw/zinc/95/20/89/498952089.db2.gz KFHUSICLTWVPTC-WMZOPIPTSA-N 0 3 373.472 3.209 20 30 FGEDHN O=C(CN1CCC[C@@H]1C1CCC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000328906425 498980371 /nfs/dbraw/zinc/98/03/71/498980371.db2.gz BMJKKOBMNVOKAD-OAHLLOKOSA-N 0 3 359.426 3.224 20 30 FGEDHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)cc2)CC1 ZINC000328904720 498980447 /nfs/dbraw/zinc/98/04/47/498980447.db2.gz AIPCXMMDRLSKFN-YLJYHZDGSA-N 0 3 371.525 3.286 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000299169969 498985459 /nfs/dbraw/zinc/98/54/59/498985459.db2.gz WIFLJTIZRSUVDB-INIZCTEOSA-N 0 3 358.482 3.006 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)N(C)C)cc1 ZINC000328942586 498993490 /nfs/dbraw/zinc/99/34/90/498993490.db2.gz IPQUKVKCVFNRJQ-OTWHNJEPSA-N 0 3 372.513 3.343 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000328947435 498995633 /nfs/dbraw/zinc/99/56/33/498995633.db2.gz VTMMPFVJOIBHGE-QZTJIDSGSA-N 0 3 371.525 3.286 20 30 FGEDHN CN(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000329011546 499014361 /nfs/dbraw/zinc/01/43/61/499014361.db2.gz ZWQLTVRPGSPNFB-RCCFBDPRSA-N 0 3 358.486 3.034 20 30 FGEDHN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)[C@@H]1CCC[C@H]1O ZINC000329045033 499024704 /nfs/dbraw/zinc/02/47/04/499024704.db2.gz FMNNNAFOVDUVTL-SFKVYAFYSA-N 0 3 363.502 3.059 20 30 FGEDHN CNC(=O)Cc1nc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cs1 ZINC000329064010 499031033 /nfs/dbraw/zinc/03/10/33/499031033.db2.gz KLAJEJLSWYEFSO-SQNIBIBYSA-N 0 3 371.506 3.276 20 30 FGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cccc(CO)c2)cc1C ZINC000284036763 499034669 /nfs/dbraw/zinc/03/46/69/499034669.db2.gz ITTCUYHFPKDHKW-UHFFFAOYSA-O 0 3 369.510 3.164 20 30 FGEDHN CN(C(=O)c1ccc(F)c(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000284076520 499043429 /nfs/dbraw/zinc/04/34/29/499043429.db2.gz UUHMKKGJCYOWMS-UHFFFAOYSA-N 0 3 351.425 3.434 20 30 FGEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000329104658 499043519 /nfs/dbraw/zinc/04/35/19/499043519.db2.gz GTZVNARFEQFJGM-MNEFBYGVSA-N 0 3 371.481 3.152 20 30 FGEDHN Cc1ccn2cc(CNC(=O)N3CCC[C@@H]3CN3CCCCC3)nc2c1 ZINC000329119257 499047917 /nfs/dbraw/zinc/04/79/17/499047917.db2.gz OZVBNZXKTWSKQN-GOSISDBHSA-N 0 3 355.486 3.007 20 30 FGEDHN CCc1nc2ccccc2c(N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C ZINC000582081268 506128765 /nfs/dbraw/zinc/12/87/65/506128765.db2.gz MUMXSJLIYAZRDN-UHFFFAOYSA-N 0 3 374.492 3.346 20 30 FGEDHN C[C@@H](C(=O)NC1CCCC1)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329135585 499052384 /nfs/dbraw/zinc/05/23/84/499052384.db2.gz QOYDTZGWCXPSDE-TXPKVOOTSA-N 0 3 361.534 3.022 20 30 FGEDHN C[C@@H]1C[C@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC(=O)N1 ZINC000329139630 499053468 /nfs/dbraw/zinc/05/34/68/499053468.db2.gz IYAXOENEZOEHKK-ZBFHGGJFSA-N 0 3 359.470 3.371 20 30 FGEDHN O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CCc2ccccc2C1 ZINC000329162050 499059560 /nfs/dbraw/zinc/05/95/60/499059560.db2.gz ZJPAOYTXNWCUGY-FQEVSTJZSA-N 0 3 364.493 3.359 20 30 FGEDHN C[C@H](C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)N1CCCCCC1 ZINC000329201029 499071127 /nfs/dbraw/zinc/07/11/27/499071127.db2.gz VNWUTWIYGMSAHU-ZIFCJYIRSA-N 0 3 361.534 3.024 20 30 FGEDHN Cn1cc(CCN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000329209437 499073164 /nfs/dbraw/zinc/07/31/64/499073164.db2.gz YKGOSRIPIOOVCK-KRWDZBQOSA-N 0 3 370.501 3.344 20 30 FGEDHN Cc1ccc(SC[C@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000570274348 506130544 /nfs/dbraw/zinc/13/05/44/506130544.db2.gz OZXXZBFMTUQWIL-INIZCTEOSA-N 0 3 374.531 3.411 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)C1=CCN(C)CC1 ZINC000329313450 499097271 /nfs/dbraw/zinc/09/72/71/499097271.db2.gz GUEQKVVKTNORCL-OAHLLOKOSA-N 0 3 358.486 3.057 20 30 FGEDHN Cc1ccc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)[N-]C2(C)CC2)c1 ZINC000284376185 499097650 /nfs/dbraw/zinc/09/76/50/499097650.db2.gz LVDQKGJJZPMJTI-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000329360599 499108471 /nfs/dbraw/zinc/10/84/71/499108471.db2.gz YCTCRHGSXQKTRM-LPHOPBHVSA-N 0 3 372.513 3.036 20 30 FGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCCC#N ZINC000291955360 499110235 /nfs/dbraw/zinc/11/02/35/499110235.db2.gz QUVUFIPCFGZIDS-SFHVURJKSA-N 0 3 351.454 3.271 20 30 FGEDHN CCn1cc(Br)c(=O)c(NC(=O)CC[C@@H]2CCCCN2C)c1 ZINC000329384668 499113175 /nfs/dbraw/zinc/11/31/75/499113175.db2.gz PMHHLGOMKMPZNZ-LBPRGKRZSA-N 0 3 370.291 3.483 20 30 FGEDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)[C@H]2C1 ZINC000329431174 499120715 /nfs/dbraw/zinc/12/07/15/499120715.db2.gz KHEARDKHSAZVTQ-COZJESOBSA-N 0 3 373.541 3.102 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CCN1C ZINC000329436259 499121155 /nfs/dbraw/zinc/12/11/55/499121155.db2.gz LWFNIWGOYPPSRW-MWLCHTKSSA-N 0 3 352.822 3.129 20 30 FGEDHN CCc1nc(C)c(C(=O)NCC2(N3CCCCC3)CCOCC2)s1 ZINC000329434759 499121439 /nfs/dbraw/zinc/12/14/39/499121439.db2.gz IYLOWYDEKSLRGL-UHFFFAOYSA-N 0 3 351.516 3.354 20 30 FGEDHN C#CC[C@H](NC(=O)N(C)C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000366955970 499121965 /nfs/dbraw/zinc/12/19/65/499121965.db2.gz VPZWBLYCFWWWMJ-NRFANRHFSA-N 0 3 362.477 3.456 20 30 FGEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000329500749 499128175 /nfs/dbraw/zinc/12/81/75/499128175.db2.gz VXIOVCYJSLAFFN-DJPFJPOOSA-N 0 3 370.497 3.006 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCSC[C@@H]2c2cccs2)CC1 ZINC000369859304 499140064 /nfs/dbraw/zinc/14/00/64/499140064.db2.gz AREKBAZDRMWSKM-OAHLLOKOSA-N 0 3 351.541 3.198 20 30 FGEDHN CCO[C@@H](C)c1noc(CN2CCCN(CC(C)(C)CCC#N)CC2)n1 ZINC000372602054 499152468 /nfs/dbraw/zinc/15/24/68/499152468.db2.gz UAVIRZKEXORYPE-INIZCTEOSA-N 0 3 363.506 3.005 20 30 FGEDHN N#CC1CCC(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000573166806 506134101 /nfs/dbraw/zinc/13/41/01/506134101.db2.gz MIBMEGIMCRYQRM-AFMYVXGZSA-N 0 3 354.498 3.453 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000370083545 499176785 /nfs/dbraw/zinc/17/67/85/499176785.db2.gz REYLIFJUVJSIJK-RYRKJORJSA-N 0 3 372.538 3.045 20 30 FGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000370083546 499177030 /nfs/dbraw/zinc/17/70/30/499177030.db2.gz REYLIFJUVJSIJK-SOLBZPMBSA-N 0 3 372.538 3.045 20 30 FGEDHN N#Cc1ncn(C2CCN(CCOc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000370119942 499183592 /nfs/dbraw/zinc/18/35/92/499183592.db2.gz GHFUVIFQBKNAQW-UHFFFAOYSA-N 0 3 366.252 3.172 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000367391683 499193385 /nfs/dbraw/zinc/19/33/85/499193385.db2.gz GLMKVQUAPKMNID-NJDAHSKKSA-N 0 3 359.429 3.277 20 30 FGEDHN COc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1OCCCC#N ZINC000367472710 499203218 /nfs/dbraw/zinc/20/32/18/499203218.db2.gz UAYIBHUHZQKNOY-SFHVURJKSA-N 0 3 368.481 3.491 20 30 FGEDHN N#CC1(c2ccc(C(=O)NC3CCN(CCc4ccncc4)CC3)cc2)CC1 ZINC000367754169 499230938 /nfs/dbraw/zinc/23/09/38/499230938.db2.gz MIVAELIZSFUMPW-UHFFFAOYSA-N 0 3 374.488 3.074 20 30 FGEDHN N#CC1(c2ccccn2)CCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000367893220 499242476 /nfs/dbraw/zinc/24/24/76/499242476.db2.gz WOBLWUMIYWLERZ-GOSISDBHSA-N 0 3 355.869 3.196 20 30 FGEDHN C=CCC[C@@H](NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1ccccc1 ZINC000370898863 499268701 /nfs/dbraw/zinc/26/87/01/499268701.db2.gz HJFBXBDZJSUXJC-LEWJYISDSA-N 0 3 370.541 3.115 20 30 FGEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000371161467 499294769 /nfs/dbraw/zinc/29/47/69/499294769.db2.gz WQKYEZNQWIEWJE-YADHBBJMSA-N 0 3 369.509 3.095 20 30 FGEDHN C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000582137209 506142495 /nfs/dbraw/zinc/14/24/95/506142495.db2.gz AIUVAISEKURURF-UHFFFAOYSA-N 0 3 357.498 3.330 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CCOCC2)[C@H]1C ZINC000368835976 499338011 /nfs/dbraw/zinc/33/80/11/499338011.db2.gz VYGMVLSTNRIPAL-IAGOWNOFSA-N 0 3 373.472 3.352 20 30 FGEDHN C=CCN(C(=O)NCCc1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368926513 499347359 /nfs/dbraw/zinc/34/73/59/499347359.db2.gz XQLJXTWPTNEZDW-OAQYLSRUSA-N 0 3 364.493 3.096 20 30 FGEDHN C=CCN(C(=O)[C@H]1CCCn2ccnc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000371827356 499369305 /nfs/dbraw/zinc/36/93/05/499369305.db2.gz USMIGATWFWTKEJ-UXHICEINSA-N 0 3 364.493 3.050 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000372054444 499393871 /nfs/dbraw/zinc/39/38/71/499393871.db2.gz YMYNRJQFERIIPV-UWJYYQICSA-N 0 3 372.476 3.461 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](c3ncc(C)s3)C2)CC1 ZINC000369393801 499399133 /nfs/dbraw/zinc/39/91/33/499399133.db2.gz FJKSLEAZSWAQDD-INIZCTEOSA-N 0 3 362.543 3.381 20 30 FGEDHN CN1CC[C@@H](CNC(=O)/C=C/c2ccccc2C#N)[C@H]1c1cccs1 ZINC000369564517 499418405 /nfs/dbraw/zinc/41/84/05/499418405.db2.gz JUOXYYLHXHDWEJ-NZCLQKMISA-N 0 3 351.475 3.442 20 30 FGEDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cccc(OCCCC#N)c1 ZINC000369759638 499441158 /nfs/dbraw/zinc/44/11/58/499441158.db2.gz ISENXEJPGBJWEW-LEWJYISDSA-N 0 3 355.482 3.344 20 30 FGEDHN COC(=O)c1ccnc(N2CCCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000373115149 499452191 /nfs/dbraw/zinc/45/21/91/499452191.db2.gz HXGZCFGBOQWRPS-UHFFFAOYSA-N 0 3 358.486 3.100 20 30 FGEDHN N#Cc1cccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373406609 499467902 /nfs/dbraw/zinc/46/79/02/499467902.db2.gz WSQGVXKKWHGOLI-UHFFFAOYSA-N 0 3 366.387 3.485 20 30 FGEDHN N#Cc1ncn(C2CCN(Cc3cccc(OC4CCCC4)c3)CC2)n1 ZINC000373490640 499473066 /nfs/dbraw/zinc/47/30/66/499473066.db2.gz QTFOZUWWHFQIBB-UHFFFAOYSA-N 0 3 351.454 3.308 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2NCc2nccn2CCc2ccccc2)O1 ZINC000378452481 499518514 /nfs/dbraw/zinc/51/85/14/499518514.db2.gz GZEDDSYETQHSNA-MXEMCNAFSA-N 0 3 364.493 3.455 20 30 FGEDHN CN(C(=O)[C@H]1CC12CCN(CCCOc1cccc(C#N)c1)CC2)C1CC1 ZINC000378466898 499520740 /nfs/dbraw/zinc/52/07/40/499520740.db2.gz NVFLCEMWWOYMMJ-HXUWFJFHSA-N 0 3 367.493 3.050 20 30 FGEDHN CC1(C#N)CCN(C(=O)NC[C@H]2CCCN2CCc2ccccc2)CC1 ZINC000378592789 499535465 /nfs/dbraw/zinc/53/54/65/499535465.db2.gz CRAGCYINOGHTCE-LJQANCHMSA-N 0 3 354.498 3.029 20 30 FGEDHN Cc1c(Cl)cnc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC000408183952 499579546 /nfs/dbraw/zinc/57/95/46/499579546.db2.gz VOZSPFMGTUEPPS-ZIAGYGMSSA-N 0 3 362.905 3.241 20 30 FGEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000409870221 499626342 /nfs/dbraw/zinc/62/63/42/499626342.db2.gz MYOUTXAJTOTFAV-UHFFFAOYSA-N 0 3 359.433 3.366 20 30 FGEDHN C#CCCN1CCC(NC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000376702166 499630346 /nfs/dbraw/zinc/63/03/46/499630346.db2.gz UUXUXJKUYIEWKN-UHFFFAOYSA-N 0 3 368.868 3.015 20 30 FGEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000377084486 499660431 /nfs/dbraw/zinc/66/04/31/499660431.db2.gz RSFPMLJGQXIWNV-FXAWDEMLSA-N 0 3 353.470 3.032 20 30 FGEDHN CC(C)(CCC#N)CNC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000377350608 499682236 /nfs/dbraw/zinc/68/22/36/499682236.db2.gz OFGOAZFNTSZUKF-UXHICEINSA-N 0 3 368.525 3.480 20 30 FGEDHN CCN(CC)C(=O)C1(NCCC(=O)Nc2cccc(C#N)c2)CCCCC1 ZINC000411376537 499731231 /nfs/dbraw/zinc/73/12/31/499731231.db2.gz UGIIMOAIORPINL-UHFFFAOYSA-N 0 3 370.497 3.048 20 30 FGEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000411467339 499744309 /nfs/dbraw/zinc/74/43/09/499744309.db2.gz XKNMHEKPRFVACH-INIZCTEOSA-N 0 3 363.527 3.452 20 30 FGEDHN COc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414143103 499764027 /nfs/dbraw/zinc/76/40/27/499764027.db2.gz SFJSATFRJBLMMV-HRAATJIYSA-N 0 3 363.461 3.327 20 30 FGEDHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411572997 499764668 /nfs/dbraw/zinc/76/46/68/499764668.db2.gz ROMUHAIGKWXDPP-OAHLLOKOSA-N 0 3 363.870 3.233 20 30 FGEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2 ZINC000582210846 506158871 /nfs/dbraw/zinc/15/88/71/506158871.db2.gz LHEXQYIOPWNQEC-UNMCSNQZSA-N 0 3 359.473 3.369 20 30 FGEDHN CO[C@@](C)([C@H](C)NCC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000411946836 499805324 /nfs/dbraw/zinc/80/53/24/499805324.db2.gz LWGJVRICDJHVOF-LIRRHRJNSA-N 0 3 363.889 3.380 20 30 FGEDHN COc1cccc([C@@H]2C[C@H]2CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000412884770 499893509 /nfs/dbraw/zinc/89/35/09/499893509.db2.gz RFERZRRYVKBWOV-ZJOUEHCJSA-N 0 3 359.429 3.169 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000413235206 499930727 /nfs/dbraw/zinc/93/07/27/499930727.db2.gz JIEZIGAQYPVMLN-FQEVSTJZSA-N 0 3 369.509 3.200 20 30 FGEDHN COc1cc(OCCN(C)C)ccc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000413943502 500102069 /nfs/dbraw/zinc/10/20/69/500102069.db2.gz YJJMEYYHPVDFIQ-FQEVSTJZSA-N 0 3 357.454 3.048 20 30 FGEDHN COCC(C)(C)N1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000425508771 500127813 /nfs/dbraw/zinc/12/78/13/500127813.db2.gz SKOHOGWVKKUSQO-UHFFFAOYSA-N 0 3 354.416 3.100 20 30 FGEDHN C=CCC1(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000425523508 500132628 /nfs/dbraw/zinc/13/26/28/500132628.db2.gz ZCKINWJOBCUAEH-IBGZPJMESA-N 0 3 356.510 3.482 20 30 FGEDHN C=CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000425532962 500135225 /nfs/dbraw/zinc/13/52/25/500135225.db2.gz PCKVJWJLRIADGV-ICSRJNTNSA-N 0 3 356.510 3.386 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000425652276 500171422 /nfs/dbraw/zinc/17/14/22/500171422.db2.gz YRVPYCDSLVEITL-UTKZUKDTSA-N 0 3 364.493 3.434 20 30 FGEDHN CN(C)C(=O)c1ccccc1CNCCSCc1ccccc1C#N ZINC000417845317 500182533 /nfs/dbraw/zinc/18/25/33/500182533.db2.gz RBCGXCOYRGREES-UHFFFAOYSA-N 0 3 353.491 3.283 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000425853765 500205472 /nfs/dbraw/zinc/20/54/72/500205472.db2.gz JHBKOOODBXCDHD-PMXSJFBMSA-N 0 3 371.525 3.272 20 30 FGEDHN CN(C)C[C@H](NC(=O)NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000422216638 500235944 /nfs/dbraw/zinc/23/59/44/500235944.db2.gz JSYDQTWSQJEVDA-INIZCTEOSA-N 0 3 362.886 3.375 20 30 FGEDHN COCCN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCOC1 ZINC000426499997 500280546 /nfs/dbraw/zinc/28/05/46/500280546.db2.gz SQMNTHNRYKTVAB-NRFANRHFSA-N 0 3 366.461 3.375 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C)C2(CCCCC2)C1 ZINC000579490013 506188150 /nfs/dbraw/zinc/18/81/50/506188150.db2.gz KNVAPODOSXXQCW-HNNXBMFYSA-N 0 3 374.916 3.489 20 30 FGEDHN N#Cc1ccc([C@H](NCC[C@@H](c2ccccc2)C(F)(F)F)C(N)=O)cc1 ZINC000419164574 500341904 /nfs/dbraw/zinc/34/19/04/500341904.db2.gz AABPYBGOLLEWMU-IRXDYDNUSA-N 0 3 361.367 3.410 20 30 FGEDHN C(#CCN1CCC(OC2CCC2)CC1)CN1CCC(OC2CCC2)CC1 ZINC000419298313 500350301 /nfs/dbraw/zinc/35/03/01/500350301.db2.gz GASQLTXCAWOWLQ-UHFFFAOYSA-N 0 3 360.542 3.057 20 30 FGEDHN C=C[C@](C)(O)CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000431523186 500387742 /nfs/dbraw/zinc/38/77/42/500387742.db2.gz KHNDCMWVFXYFMG-QFIPXVFZSA-N 0 3 352.478 3.359 20 30 FGEDHN C=CCC[C@@H]1NC(=O)N(C[C@H](c2ccc(OC)cc2)N2CCCCC2)C1=O ZINC000419918718 500406665 /nfs/dbraw/zinc/40/66/65/500406665.db2.gz DGWQOBFQWQDIJA-RBUKOAKNSA-N 0 3 371.481 3.109 20 30 FGEDHN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H](N)CCCC#N)cn1 ZINC000424130361 500458438 /nfs/dbraw/zinc/45/84/38/500458438.db2.gz HMHXAXSTPGFKEB-HNNXBMFYSA-N 0 3 354.410 3.151 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000424134346 500458621 /nfs/dbraw/zinc/45/86/21/500458621.db2.gz HWIMXEUQZUMIME-LSDHHAIUSA-N 0 3 374.243 3.054 20 30 FGEDHN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424145163 500459990 /nfs/dbraw/zinc/45/99/90/500459990.db2.gz UIZUHRARBCZEBS-XHDPSFHLSA-N 0 3 360.458 3.456 20 30 FGEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000424144433 500460130 /nfs/dbraw/zinc/46/01/30/500460130.db2.gz SFBOGZPDDGBPTM-FPOVZHCZSA-N 0 3 363.461 3.238 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1cn2c(n1)CCCC2)C(C)C ZINC000428473907 500514528 /nfs/dbraw/zinc/51/45/28/500514528.db2.gz HTBQHTGORADLQT-LJQANCHMSA-N 0 3 373.545 3.059 20 30 FGEDHN CCN1CCN(c2ccc(NC(=O)N(C)CC(C)(C)C#N)c(C)c2)CC1 ZINC000432629976 500540774 /nfs/dbraw/zinc/54/07/74/500540774.db2.gz JFMTZUUIDMIDRN-UHFFFAOYSA-N 0 3 357.502 3.150 20 30 FGEDHN C=CCCn1cc(C(=O)N(CC)[C@H]2CCN([C@H](C)c3ccccc3)C2)nn1 ZINC000424721990 500550331 /nfs/dbraw/zinc/55/03/31/500550331.db2.gz MWROPTMBLFLDQO-MJGOQNOKSA-N 0 3 367.497 3.152 20 30 FGEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000437138181 500606377 /nfs/dbraw/zinc/60/63/77/500606377.db2.gz PVCJIKTVPKEXAD-OGZLKCIRSA-N 0 3 361.445 3.206 20 30 FGEDHN COC(=O)c1coc([C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000447591986 500630629 /nfs/dbraw/zinc/63/06/29/500630629.db2.gz JOXSESZKFUXXEO-IGEOTXOUSA-N 0 3 369.421 3.374 20 30 FGEDHN CCN(CC)C(=O)CCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442834737 500632766 /nfs/dbraw/zinc/63/27/66/500632766.db2.gz KVPHNMRZTRPLLF-UHFFFAOYSA-N 0 3 357.498 3.427 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000437493926 500650733 /nfs/dbraw/zinc/65/07/33/500650733.db2.gz LISQEHHXTKMJPU-QIJUGHKUSA-N 0 3 370.537 3.427 20 30 FGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000437614905 500669378 /nfs/dbraw/zinc/66/93/78/500669378.db2.gz GORBXDUUNHEOKQ-UYAOXDASSA-N 0 3 371.525 3.104 20 30 FGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433316300 500670940 /nfs/dbraw/zinc/67/09/40/500670940.db2.gz IBWSFVPADBBDGV-LJQANCHMSA-N 0 3 367.468 3.488 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000437638274 500673683 /nfs/dbraw/zinc/67/36/83/500673683.db2.gz WCCHDFUEJTUSBH-UFYCRDLUSA-N 0 3 359.514 3.350 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000437657164 500677284 /nfs/dbraw/zinc/67/72/84/500677284.db2.gz UBNNQIMHDQKRFC-NRSPTQNISA-N 0 3 371.525 3.104 20 30 FGEDHN Cn1c(CCNC(=O)C(C#N)CCc2ccccc2)nc2cc(F)ccc21 ZINC000433345471 500677401 /nfs/dbraw/zinc/67/74/01/500677401.db2.gz XMHJSQHKTAPZIN-MRXNPFEDSA-N 0 3 364.424 3.144 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433364833 500681774 /nfs/dbraw/zinc/68/17/74/500681774.db2.gz LCWIMJSKYXBSBG-GOSISDBHSA-N 0 3 355.507 3.411 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000437791532 500696360 /nfs/dbraw/zinc/69/63/60/500696360.db2.gz FIDYHDJDIBQSQK-ACRUOGEOSA-N 0 3 373.541 3.423 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000437791534 500696419 /nfs/dbraw/zinc/69/64/19/500696419.db2.gz FIDYHDJDIBQSQK-HKBOAZHASA-N 0 3 373.541 3.423 20 30 FGEDHN Cc1cc(S(=O)(=O)N(C)C(C)(C)CN2CCCCCC2)ccc1C#N ZINC000443889686 500774471 /nfs/dbraw/zinc/77/44/71/500774471.db2.gz QNJPXINDDRXPPF-UHFFFAOYSA-N 0 3 363.527 3.142 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000438446783 500786481 /nfs/dbraw/zinc/78/64/81/500786481.db2.gz GELNSRYWRNOVAC-NJYVYQBISA-N 0 3 371.525 3.274 20 30 FGEDHN Cc1cc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000443985304 500787172 /nfs/dbraw/zinc/78/71/72/500787172.db2.gz ZEYGFJNJFZUBOH-QGZVFWFLSA-N 0 3 364.367 3.415 20 30 FGEDHN COCc1cnc(CNC2CCC(Oc3ncccc3C#N)CC2)s1 ZINC000438493206 500792729 /nfs/dbraw/zinc/79/27/29/500792729.db2.gz LGVQVZDIKPVWKD-UHFFFAOYSA-N 0 3 358.467 3.036 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(C#N)c1Br)N1CCCC[C@H]1C ZINC000448696330 500806402 /nfs/dbraw/zinc/80/64/02/500806402.db2.gz GUKXKPFZFCIPJT-CHWSQXEVSA-N 0 3 364.287 3.313 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccncc2s1 ZINC000448727104 500816161 /nfs/dbraw/zinc/81/61/61/500816161.db2.gz VLEJHZXDRZBJTM-UHFFFAOYSA-N 0 3 364.474 3.372 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)C(C)C#N)C(F)(F)F ZINC000434643725 500871460 /nfs/dbraw/zinc/87/14/60/500871460.db2.gz CXPZSSWZGXVGAY-BONVTDFDSA-N 0 3 350.344 3.368 20 30 FGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000439766636 500935651 /nfs/dbraw/zinc/93/56/51/500935651.db2.gz ADXOAFBPSHTRBY-QGZVFWFLSA-N 0 3 374.488 3.327 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)ccc1-n1cnnc1)C(C)C ZINC000435462222 500981555 /nfs/dbraw/zinc/98/15/55/500981555.db2.gz ZVEYIRHKRDDWNA-FQEVSTJZSA-N 0 3 367.497 3.004 20 30 FGEDHN COc1cc(OC)c(C[C@H](C)NCc2ccc(C#N)cc2F)c(OC)c1 ZINC000449465844 501009427 /nfs/dbraw/zinc/00/94/27/501009427.db2.gz CBQLRZWAPPYIDX-ZDUSSCGKSA-N 0 3 358.413 3.444 20 30 FGEDHN Cn1cc(CN[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1C#N ZINC000449548648 501030233 /nfs/dbraw/zinc/03/02/33/501030233.db2.gz PHRKVLMTNQVXBT-HNNXBMFYSA-N 0 3 367.403 3.143 20 30 FGEDHN CO[C@H]1C[C@@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000449632125 501046642 /nfs/dbraw/zinc/04/66/42/501046642.db2.gz MFDFDZBONYEUBB-MOPGFXCFSA-N 0 3 365.481 3.248 20 30 FGEDHN COc1cc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)ccc1C#N ZINC000449652413 501050760 /nfs/dbraw/zinc/05/07/60/501050760.db2.gz AXIPJBDSQYUKDH-BHIYHBOVSA-N 0 3 354.454 3.050 20 30 FGEDHN Cn1cc(CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccc(Cl)cc21 ZINC000435994227 501055040 /nfs/dbraw/zinc/05/50/40/501055040.db2.gz JVBGHXYCHFEJAV-LJQANCHMSA-N 0 3 366.852 3.062 20 30 FGEDHN C[C@@H]1OCC[C@H]1N(CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449676638 501058936 /nfs/dbraw/zinc/05/89/36/501058936.db2.gz IRIDVIULDFUXLV-HTAPYJJXSA-N 0 3 366.461 3.109 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(F)ccc(F)c1OC)C(C)C ZINC000446112205 501076546 /nfs/dbraw/zinc/07/65/46/501076546.db2.gz FGNBPHDMVMPVJZ-MRXNPFEDSA-N 0 3 352.425 3.402 20 30 FGEDHN C[C@@H]1Cc2cccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2O1 ZINC000449808825 501092972 /nfs/dbraw/zinc/09/29/72/501092972.db2.gz CEWIALPGOZXODD-MRXNPFEDSA-N 0 3 363.461 3.086 20 30 FGEDHN Cc1nsc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1C#N ZINC000436484810 501137212 /nfs/dbraw/zinc/13/72/12/501137212.db2.gz FLMLHNQCAHBLTM-CQSZACIVSA-N 0 3 369.494 3.452 20 30 FGEDHN Cn1c(C#N)ccc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000450158864 501196723 /nfs/dbraw/zinc/19/67/23/501196723.db2.gz KHMQVPWQXONMSW-UHFFFAOYSA-N 0 3 352.438 3.014 20 30 FGEDHN CN(C)[C@@H](CNc1ncc(Br)cc1C#N)Cc1ccccc1 ZINC000450217906 501212484 /nfs/dbraw/zinc/21/24/84/501212484.db2.gz VREOAEXXFXFGQO-MRXNPFEDSA-N 0 3 359.271 3.301 20 30 FGEDHN CN(C)CCNC(=O)c1cccc(CNc2cccc(Cl)c2C#N)c1 ZINC000450306851 501230174 /nfs/dbraw/zinc/23/01/74/501230174.db2.gz FAMNCZKTLGKMEI-UHFFFAOYSA-N 0 3 356.857 3.115 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000455271715 501260073 /nfs/dbraw/zinc/26/00/73/501260073.db2.gz JBSNVQJWPHPCOA-BJLQDIEVSA-N 0 3 354.498 3.232 20 30 FGEDHN C=CCN1CC[C@@H](Nc2cc(Cl)ccc2OC2CCN(C)CC2)C1=O ZINC000453138033 501276764 /nfs/dbraw/zinc/27/67/64/501276764.db2.gz DKDUNRVIPFMXHT-MRXNPFEDSA-N 0 3 363.889 3.012 20 30 FGEDHN CO[C@@]1(C)C[C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C1(C)C ZINC000451483813 501303374 /nfs/dbraw/zinc/30/33/74/501303374.db2.gz FQFYTXZIVSOFHO-RXVVDRJESA-N 0 3 357.498 3.343 20 30 FGEDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)ncc1C#N ZINC000457780887 501307735 /nfs/dbraw/zinc/30/77/35/501307735.db2.gz BZQGMHMTNIVLOW-HXUWFJFHSA-N 0 3 362.477 3.292 20 30 FGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451507271 501308879 /nfs/dbraw/zinc/30/88/79/501308879.db2.gz VOGJRQHVWFSVIH-ZMYBRWDISA-N 0 3 358.507 3.450 20 30 FGEDHN CC(C)[C@@H](CO)[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000451591041 501331780 /nfs/dbraw/zinc/33/17/80/501331780.db2.gz CQIBEWQNQYKHOS-CRAIPNDOSA-N 0 3 351.878 3.029 20 30 FGEDHN CC(C)[C@@H](CO)[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000451602362 501334760 /nfs/dbraw/zinc/33/47/60/501334760.db2.gz VJHXJUXHQHKNME-XCRHUMRWSA-N 0 3 365.905 3.417 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000451606938 501335434 /nfs/dbraw/zinc/33/54/34/501335434.db2.gz NZWKSSMZXXVBNU-GLQYFDAESA-N 0 3 353.260 3.018 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453456982 501337415 /nfs/dbraw/zinc/33/74/15/501337415.db2.gz ZDEISIDAWHJRDN-INIZCTEOSA-N 0 3 357.477 3.115 20 30 FGEDHN N#Cc1nc(C2CC2)oc1N1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000611667496 506250632 /nfs/dbraw/zinc/25/06/32/506250632.db2.gz NYSQKAOBWDUPAW-INIZCTEOSA-N 0 3 362.477 3.351 20 30 FGEDHN C[C@@H](C(=O)Nc1ccc(OCCN(C)C)c(F)c1)c1cccc(C#N)c1 ZINC000458277018 501409524 /nfs/dbraw/zinc/40/95/24/501409524.db2.gz PZMWHOQPHKVNBC-CQSZACIVSA-N 0 3 355.413 3.380 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(c2c(F)cccc2F)CC1 ZINC000592815481 506258505 /nfs/dbraw/zinc/25/85/05/506258505.db2.gz KRGKSZYIBDDDJU-QGZVFWFLSA-N 0 3 369.415 3.386 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000459028069 501578809 /nfs/dbraw/zinc/57/88/09/501578809.db2.gz NOIFSJUIOKIIQY-AFYVEPGGSA-N 0 3 357.498 3.197 20 30 FGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(C#N)c(F)c2)c1 ZINC000459113967 501596410 /nfs/dbraw/zinc/59/64/10/501596410.db2.gz IDLAWBXDOFGNBL-UHFFFAOYSA-N 0 3 368.456 3.279 20 30 FGEDHN COc1ccc(C#N)cc1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000459477210 501660331 /nfs/dbraw/zinc/66/03/31/501660331.db2.gz GWYWULBLESOPGH-UHFFFAOYSA-N 0 3 358.445 3.437 20 30 FGEDHN Cc1nsc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)c1C#N ZINC000459553751 501675706 /nfs/dbraw/zinc/67/57/06/501675706.db2.gz IOXCUZJGTZAQNG-UHFFFAOYSA-N 0 3 357.483 3.227 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459574545 501679484 /nfs/dbraw/zinc/67/94/84/501679484.db2.gz SBFXKRJAEZFCRH-KGLIPLIRSA-N 0 3 356.260 3.377 20 30 FGEDHN Cc1nsc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1C#N ZINC000459598008 501684441 /nfs/dbraw/zinc/68/44/41/501684441.db2.gz YOGUOBLZMUINKN-HNNXBMFYSA-N 0 3 355.467 3.109 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000457438690 501698062 /nfs/dbraw/zinc/69/80/62/501698062.db2.gz IXEPIDOXXTYXSP-SFTDATJTSA-N 0 3 356.510 3.181 20 30 FGEDHN C=CCC[C@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000457476959 501706294 /nfs/dbraw/zinc/70/62/94/501706294.db2.gz IJGQKQDNIADZFX-IAGOWNOFSA-N 0 3 365.543 3.147 20 30 FGEDHN COCC[C@@H]1CCCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000467281638 501757735 /nfs/dbraw/zinc/75/77/35/501757735.db2.gz WTPIBXZSAJXNFO-JMDAGXMHSA-N 0 3 363.546 3.444 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccco1 ZINC000588339847 506273013 /nfs/dbraw/zinc/27/30/13/506273013.db2.gz RFQZMTCNFBXBOB-SUMWQHHRSA-N 0 3 358.417 3.219 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)n1Cc1ccncc1 ZINC000460368520 501805959 /nfs/dbraw/zinc/80/59/59/501805959.db2.gz AFBMBLVZLFNNQU-LJQANCHMSA-N 0 3 359.433 3.445 20 30 FGEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)c2cccc(Br)c2)C1=O ZINC000467512882 501813054 /nfs/dbraw/zinc/81/30/54/501813054.db2.gz JUVVLNFHUALSAL-CZUORRHYSA-N 0 3 351.288 3.271 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470836936 501824274 /nfs/dbraw/zinc/82/42/74/501824274.db2.gz RLUQDSRXBVYODB-WTNAPCKOSA-N 0 3 372.472 3.192 20 30 FGEDHN CCc1nnc(NC[C@H](c2cccc(OC)c2)N(C)C)c(C#N)c1CC ZINC000467718282 501853127 /nfs/dbraw/zinc/85/31/27/501853127.db2.gz NPTVXZFNKMLPGY-LJQANCHMSA-N 0 3 353.470 3.196 20 30 FGEDHN C=C(C)Cn1c(COCC)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000460588985 501870205 /nfs/dbraw/zinc/87/02/05/501870205.db2.gz YWDYMCPRICYMCF-LJQANCHMSA-N 0 3 369.513 3.101 20 30 FGEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H](O)COc1ccc(F)cc1 ZINC000481922122 501920422 /nfs/dbraw/zinc/92/04/22/501920422.db2.gz MKWVBQBXPHTJIJ-NQIIRXRSSA-N 0 3 354.425 3.494 20 30 FGEDHN C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000460789045 501920578 /nfs/dbraw/zinc/92/05/78/501920578.db2.gz ITBQNKVWMIINES-IBGZPJMESA-N 0 3 351.498 3.442 20 30 FGEDHN CC(C)(C)Oc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000471105208 501921149 /nfs/dbraw/zinc/92/11/49/501921149.db2.gz AUXFGQJXELVBDO-QGZVFWFLSA-N 0 3 362.433 3.129 20 30 FGEDHN CN(C)CCn1ncc(C(=O)Nc2cccc(C#N)c2)c1-c1ccccc1 ZINC000468055163 501942882 /nfs/dbraw/zinc/94/28/82/501942882.db2.gz OYISZXVTRKTXQN-UHFFFAOYSA-N 0 3 359.433 3.236 20 30 FGEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1CCN(c2cccnn2)CC1 ZINC000468135880 501968477 /nfs/dbraw/zinc/96/84/77/501968477.db2.gz HXOCXSPBUKDTSY-UHFFFAOYSA-N 0 3 373.407 3.050 20 30 FGEDHN C=CCCC1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000474895954 501983774 /nfs/dbraw/zinc/98/37/74/501983774.db2.gz BOWYPMYKNWFQFJ-UHFFFAOYSA-N 0 3 355.482 3.069 20 30 FGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCC(=O)Nc1sccc1C#N ZINC000482152717 501990831 /nfs/dbraw/zinc/99/08/31/501990831.db2.gz AKHNYIFJRWBOAG-GOSISDBHSA-N 0 3 370.522 3.304 20 30 FGEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(C#N)cc1)N(C)C ZINC000478490066 501999105 /nfs/dbraw/zinc/99/91/05/501999105.db2.gz UEUSYHZIGKGXJO-UZLBHIALSA-N 0 3 350.466 3.357 20 30 FGEDHN C=C(C)COCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000475021024 502023830 /nfs/dbraw/zinc/02/38/30/502023830.db2.gz WOYCTMYRQRAUKP-KRWDZBQOSA-N 0 3 365.543 3.413 20 30 FGEDHN N#Cc1ccc(OC2CN(C(=O)c3ccc(CN4CCCC4)cc3)C2)cc1 ZINC000461724168 502180213 /nfs/dbraw/zinc/18/02/13/502180213.db2.gz HCDDTGNADGZBGZ-UHFFFAOYSA-N 0 3 361.445 3.057 20 30 FGEDHN N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCN(CC4CCCC4)C3)on2)c1 ZINC000468894810 502220638 /nfs/dbraw/zinc/22/06/38/502220638.db2.gz GENRLRLARSTDRQ-GOSISDBHSA-N 0 3 364.449 3.208 20 30 FGEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468898644 502221636 /nfs/dbraw/zinc/22/16/36/502221636.db2.gz ISOUFYPYNCBTEH-LJQANCHMSA-N 0 3 374.444 3.116 20 30 FGEDHN CN(C)CCOc1cccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000475595595 502222887 /nfs/dbraw/zinc/22/28/87/502222887.db2.gz LTTDSCRMQYIYNX-HXUWFJFHSA-N 0 3 365.477 3.331 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000468899372 502222970 /nfs/dbraw/zinc/22/29/70/502222970.db2.gz HTEQZIGFEPTLMG-NJDAHSKKSA-N 0 3 356.510 3.167 20 30 FGEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1CCCc1ccccc1 ZINC000486796545 502264810 /nfs/dbraw/zinc/26/48/10/502264810.db2.gz GRNNDHMNHVAEKQ-HXUWFJFHSA-N 0 3 352.482 3.130 20 30 FGEDHN COC[C@H](Cc1ccccc1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000475728531 502267941 /nfs/dbraw/zinc/26/79/41/502267941.db2.gz UCBJMZMQPRXZEW-FQEVSTJZSA-N 0 3 351.450 3.076 20 30 FGEDHN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000483095696 502268715 /nfs/dbraw/zinc/26/87/15/502268715.db2.gz BQDDDHIFEBUBMD-QGZVFWFLSA-N 0 3 351.454 3.193 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(OCCCc3ccccc3)C2)cc1 ZINC000472250940 502285221 /nfs/dbraw/zinc/28/52/21/502285221.db2.gz WUMSNTOOFGIGMM-NRFANRHFSA-N 0 3 373.456 3.101 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)NCC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000465565150 502309115 /nfs/dbraw/zinc/30/91/15/502309115.db2.gz JIYDLEPLCTYFSR-ICSRJNTNSA-N 0 3 367.518 3.482 20 30 FGEDHN C[C@@H]1OCC[C@H]1N(CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483258281 502330253 /nfs/dbraw/zinc/33/02/53/502330253.db2.gz APGSNDJNHRSYQG-SIKLNZKXSA-N 0 3 364.489 3.358 20 30 FGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469306555 502369662 /nfs/dbraw/zinc/36/96/62/502369662.db2.gz LQWIZLGDUJMZFV-MRXNPFEDSA-N 0 3 374.444 3.464 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462259558 502370302 /nfs/dbraw/zinc/37/03/02/502370302.db2.gz NOYWYRPYQDSFSH-BEFAXECRSA-N 0 3 364.449 3.209 20 30 FGEDHN COc1cccc(CN(CCN(C)C)c2nc(C#N)c(Cl)s2)c1 ZINC000596207663 506310835 /nfs/dbraw/zinc/31/08/35/506310835.db2.gz NBTLYYZURKGLBX-UHFFFAOYSA-N 0 3 350.875 3.245 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2[C@H](C)CCC[C@H]2C)cc1 ZINC000483519274 502419242 /nfs/dbraw/zinc/41/92/42/502419242.db2.gz IPOGTXDAIIDXKU-MCIONIFRSA-N 0 3 363.483 3.319 20 30 FGEDHN COc1ccccc1C[C@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000476264829 502436013 /nfs/dbraw/zinc/43/60/13/502436013.db2.gz UKNDZCBKHXFQNB-UXHICEINSA-N 0 3 366.461 3.014 20 30 FGEDHN CCC(CC)[C@H](CNC(=O)C(C#N)CCc1ccccc1)N1CCOCC1 ZINC000469508386 502445745 /nfs/dbraw/zinc/44/57/45/502445745.db2.gz KSVUTQXIZDNOFZ-SFTDATJTSA-N 0 3 371.525 3.012 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000469508222 502446155 /nfs/dbraw/zinc/44/61/55/502446155.db2.gz ILRXZHXGXCEYOH-QUCCMNQESA-N 0 3 352.409 3.498 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000469582178 502471065 /nfs/dbraw/zinc/47/10/65/502471065.db2.gz FTZLRHRYHHZBGI-WOJBJXKFSA-N 0 3 358.482 3.471 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000483765611 502487028 /nfs/dbraw/zinc/48/70/28/502487028.db2.gz RLTPYGDDGKDSBV-ZWKOTPCHSA-N 0 3 351.535 3.310 20 30 FGEDHN C[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000469716973 502515731 /nfs/dbraw/zinc/51/57/31/502515731.db2.gz WWWOXNOYEACKDY-MRXNPFEDSA-N 0 3 351.425 3.434 20 30 FGEDHN CC(C)[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000487947356 502574553 /nfs/dbraw/zinc/57/45/53/502574553.db2.gz LHCPARCQCOECOU-QGZVFWFLSA-N 0 3 374.554 3.099 20 30 FGEDHN CN1CCN(CCCNc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000462928155 502629298 /nfs/dbraw/zinc/62/92/98/502629298.db2.gz XKXPXXOLIBRHQH-OAQYLSRUSA-N 0 3 352.457 3.488 20 30 FGEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cc(C#N)c[nH]1 ZINC000473601511 502651587 /nfs/dbraw/zinc/65/15/87/502651587.db2.gz UMJYGKDWFOJFOO-LJQANCHMSA-N 0 3 350.466 3.089 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000470080726 502652372 /nfs/dbraw/zinc/65/23/72/502652372.db2.gz JUQUSZJUSGVQOX-UHFFFAOYSA-N 0 3 360.364 3.313 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ncc(C#N)cc1Cl ZINC000470087267 502655033 /nfs/dbraw/zinc/65/50/33/502655033.db2.gz QCWZFQPGKUDDJC-UHFFFAOYSA-N 0 3 350.800 3.453 20 30 FGEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000484652578 502697650 /nfs/dbraw/zinc/69/76/50/502697650.db2.gz PHBGLJJFCIENEO-ZVDOUQERSA-N 0 3 357.498 3.329 20 30 FGEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC)c1 ZINC000488461628 502721378 /nfs/dbraw/zinc/72/13/78/502721378.db2.gz GYQWLMGAOBWVOP-SFTDATJTSA-N 0 3 363.461 3.409 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC(C)(C)C2)cc1 ZINC000481030043 502734220 /nfs/dbraw/zinc/73/42/20/502734220.db2.gz DJEBVCZVDYCESV-ZFWWWQNUSA-N 0 3 363.483 3.415 20 30 FGEDHN COc1cnccc1N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000481035451 502734911 /nfs/dbraw/zinc/73/49/11/502734911.db2.gz LFKIVTFXVIPIKP-UHFFFAOYSA-N 0 3 373.254 3.051 20 30 FGEDHN C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)N(C)C1CC1 ZINC000477443903 502776119 /nfs/dbraw/zinc/77/61/19/502776119.db2.gz DLKZDPIJYXTOOO-DMKPSLHHSA-N 0 3 370.497 3.030 20 30 FGEDHN C=CCn1cccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000488731915 502794981 /nfs/dbraw/zinc/79/49/81/502794981.db2.gz JYLRMVNPYAIRIP-QZTJIDSGSA-N 0 3 359.514 3.026 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000470517983 502802451 /nfs/dbraw/zinc/80/24/51/502802451.db2.gz JDYSAVRAHFEZFX-UHFFFAOYSA-N 0 3 359.817 3.083 20 30 FGEDHN C=CCn1cccc1C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000488902309 502834983 /nfs/dbraw/zinc/83/49/83/502834983.db2.gz VTHKVCQYIPXMNO-INIZCTEOSA-N 0 3 358.511 3.033 20 30 FGEDHN C=CCCc1ccccc1NC(=O)NCCCCN1CCN(CC)CC1 ZINC000505036245 502843568 /nfs/dbraw/zinc/84/35/68/502843568.db2.gz URNUTCFMYZEQEJ-UHFFFAOYSA-N 0 3 358.530 3.344 20 30 FGEDHN C=CCn1cccc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000488954435 502846133 /nfs/dbraw/zinc/84/61/33/502846133.db2.gz ZPQAWYLQZPGNFQ-UHFFFAOYSA-N 0 3 371.456 3.086 20 30 FGEDHN Cc1cc(C(C#N)C(=O)c2cc(Br)cc(N(C)C)c2)nc(C)n1 ZINC000495580904 502852609 /nfs/dbraw/zinc/85/26/09/502852609.db2.gz PWULUJNBSRBBFO-OAHLLOKOSA-N 0 3 373.254 3.412 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)CCC#N ZINC000513135579 502861371 /nfs/dbraw/zinc/86/13/71/502861371.db2.gz LRRYDIDLAZYXFU-LJQANCHMSA-N 0 3 371.529 3.407 20 30 FGEDHN N#Cc1ccccc1NC(=O)CCN1CCCN(c2ccccc2F)CC1 ZINC000513371991 502917333 /nfs/dbraw/zinc/91/73/33/502917333.db2.gz RQZPQDKPWKKOKA-UHFFFAOYSA-N 0 3 366.440 3.238 20 30 FGEDHN COC1(c2noc(CC3CCN(CC4(CC#N)CC4)CC3)n2)CCCC1 ZINC000602904532 506344230 /nfs/dbraw/zinc/34/42/30/506344230.db2.gz WRAANYXXWZUCRW-UHFFFAOYSA-N 0 3 358.486 3.434 20 30 FGEDHN C=CCCCS(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000489489818 502971234 /nfs/dbraw/zinc/97/12/34/502971234.db2.gz MSLHSYPUNXQOEL-MJGOQNOKSA-N 0 3 350.528 3.267 20 30 FGEDHN Cc1cc(C)n(Cc2cccc(C(=O)C(C#N)c3cc(C)nc(C)n3)c2)n1 ZINC000501336826 502987627 /nfs/dbraw/zinc/98/76/27/502987627.db2.gz ZPFDNIXLERWTOY-IBGZPJMESA-N 0 3 359.433 3.445 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](CO)c1ccccc1Cl ZINC000489690121 503012288 /nfs/dbraw/zinc/01/22/88/503012288.db2.gz KJRLKDJHALRWKU-IAGOWNOFSA-N 0 3 356.853 3.305 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN(CC)Cc1ccc2c(c1)OCO2 ZINC000497722261 503024473 /nfs/dbraw/zinc/02/44/73/503024473.db2.gz BAPOORPKICPSKN-LJQANCHMSA-N 0 3 369.461 3.406 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1OC(F)F ZINC000497886912 503061361 /nfs/dbraw/zinc/06/13/61/503061361.db2.gz ZZGCZWBWXKLANT-UHFFFAOYSA-N 0 3 373.403 3.364 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc(F)c(F)c1)C(C)C ZINC000514074430 503080445 /nfs/dbraw/zinc/08/04/45/503080445.db2.gz NTQOVUXEQAYZHV-GOSISDBHSA-N 0 3 351.441 3.463 20 30 FGEDHN Cc1nc2ccccn2c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506279227 503084014 /nfs/dbraw/zinc/08/40/14/503084014.db2.gz DMMOFEBQVSJUNI-UHFFFAOYSA-N 0 3 359.477 3.222 20 30 FGEDHN CC[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N(CC)CC ZINC000506523777 503131244 /nfs/dbraw/zinc/13/12/44/503131244.db2.gz HKINNCYYXMFAIK-LSDHHAIUSA-N 0 3 352.276 3.250 20 30 FGEDHN C[C@H](NC(=O)NCc1cc(C#N)ccc1F)[C@H](c1ccccc1)N(C)C ZINC000498410110 503181404 /nfs/dbraw/zinc/18/14/04/503181404.db2.gz QBHLBDMWQQJDSM-IFXJQAMLSA-N 0 3 354.429 3.188 20 30 FGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510944447 503223179 /nfs/dbraw/zinc/22/31/79/503223179.db2.gz GAGOXZLKUSCBND-UKRRQHHQSA-N 0 3 353.388 3.400 20 30 FGEDHN CCN(CCC(=O)NCC(=O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000511118133 503259741 /nfs/dbraw/zinc/25/97/41/503259741.db2.gz ZQZPFZZSUJWNRL-QGZVFWFLSA-N 0 3 363.461 3.330 20 30 FGEDHN C[C@H](Oc1ccccc1F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499045336 503320419 /nfs/dbraw/zinc/32/04/19/503320419.db2.gz ZRPLKHUOUSBAID-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN C=CCN1CC[C@@H](NC(C)(C)Cc2ccc(Br)cc2)C1=O ZINC000499548321 503429886 /nfs/dbraw/zinc/42/98/86/503429886.db2.gz WUGCSEJTZHILSW-OAHLLOKOSA-N 0 3 351.288 3.147 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000599203260 506371989 /nfs/dbraw/zinc/37/19/89/506371989.db2.gz UDEIMNYTIYJTBI-BHIFYINESA-N 0 3 359.473 3.034 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC000493795028 503446160 /nfs/dbraw/zinc/44/61/60/503446160.db2.gz XUXRAJZVYTZLHM-OALUTQOASA-N 0 3 373.541 3.223 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)CC2(CO)CC2)CC1 ZINC000493805618 503447113 /nfs/dbraw/zinc/44/71/13/503447113.db2.gz CSQLWVDGLAVSPK-UHFFFAOYSA-N 0 3 371.525 3.011 20 30 FGEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc4ncccc4c3)C2=O)cc1 ZINC000503899009 503485464 /nfs/dbraw/zinc/48/54/64/503485464.db2.gz CGBHKNKFNKJOKF-NRFANRHFSA-N 0 3 356.429 3.392 20 30 FGEDHN COCCN(C)CC[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000508498062 503505924 /nfs/dbraw/zinc/50/59/24/503505924.db2.gz PKEDCWPDOVVZOS-LJQANCHMSA-N 0 3 372.513 3.031 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCN(CC(C)C)CC1 ZINC000516650106 503560780 /nfs/dbraw/zinc/56/07/80/503560780.db2.gz GMNDIUYNPLNKTK-UHFFFAOYSA-N 0 3 360.531 3.064 20 30 FGEDHN C=CCn1c(-c2ccoc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000508790764 503564981 /nfs/dbraw/zinc/56/49/81/503564981.db2.gz KPDGYQNHDQFBTM-UHFFFAOYSA-N 0 3 355.486 3.425 20 30 FGEDHN C[C@@H]1C[C@H]1c1noc(CC2CCN(CCOc3ccc(C#N)cc3)CC2)n1 ZINC000593077630 506379553 /nfs/dbraw/zinc/37/95/53/506379553.db2.gz NMAGYLNCTQWYHC-DNVCBOLYSA-N 0 3 366.465 3.398 20 30 FGEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC#Cc1cccc(F)c1)N(C)C ZINC000504452851 503576932 /nfs/dbraw/zinc/57/69/32/503576932.db2.gz WXJNHRHEYIRDCS-UWJYYQICSA-N 0 3 367.468 3.476 20 30 FGEDHN CCc1cc(N2CCC[C@H](N[C@H](C)c3ccc(C#N)cc3F)C2)ncn1 ZINC000512665938 503606909 /nfs/dbraw/zinc/60/69/09/503606909.db2.gz IEAPBYDGHXCIBT-PBHICJAKSA-N 0 3 353.445 3.369 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(C)C ZINC000495165633 503686961 /nfs/dbraw/zinc/68/69/61/503686961.db2.gz FDPKMVCZWPENMD-LJQANCHMSA-N 0 3 369.509 3.345 20 30 FGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000536740932 503705603 /nfs/dbraw/zinc/70/56/03/503705603.db2.gz ZYLKIIZVQZOCBA-CQSZACIVSA-N 0 3 351.853 3.248 20 30 FGEDHN CN(CCC#N)C(=O)CCN[C@@H](COc1ccccc1)c1ccccc1 ZINC000540417580 503764440 /nfs/dbraw/zinc/76/44/40/503764440.db2.gz QQOVRQKWJCKLDO-FQEVSTJZSA-N 0 3 351.450 3.158 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000517732802 503820943 /nfs/dbraw/zinc/82/09/43/503820943.db2.gz MBUMKOJSHRZZEI-MJGOQNOKSA-N 0 3 372.465 3.397 20 30 FGEDHN C=CCCC[C@@H](C)NC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000537186700 503832754 /nfs/dbraw/zinc/83/27/54/503832754.db2.gz CSUPCGGQOYECJR-LJQANCHMSA-N 0 3 372.557 3.368 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(F)ccc1F)C(C)C ZINC000517916347 503867547 /nfs/dbraw/zinc/86/75/47/503867547.db2.gz KEEZSBVVVYUUIA-GOSISDBHSA-N 0 3 351.441 3.463 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NC3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000543739731 503872982 /nfs/dbraw/zinc/87/29/82/503872982.db2.gz FCFSNVBLURRDCJ-JOCHJYFZSA-N 0 3 374.488 3.312 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000518005729 503886557 /nfs/dbraw/zinc/88/65/57/503886557.db2.gz WTZWPJLVVFSXLI-UHFFFAOYSA-N 0 3 372.391 3.185 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3cccc(OC)c3)C(C)(C)C2)CC1 ZINC000527769148 503935214 /nfs/dbraw/zinc/93/52/14/503935214.db2.gz WYPYUVQYZARRHD-HXUWFJFHSA-N 0 3 371.525 3.481 20 30 FGEDHN CC(C)n1ccc(C[C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000541255493 504062202 /nfs/dbraw/zinc/06/22/02/504062202.db2.gz NFNYOMCCQHNYTL-OXJNMPFZSA-N 0 3 365.481 3.052 20 30 FGEDHN C=CCn1c(SC[C@H](O)CN(C)CC)nnc1-c1ccc(Cl)cc1 ZINC000518796283 504067119 /nfs/dbraw/zinc/06/71/19/504067119.db2.gz ZGZWEYIZHNKDHV-OAHLLOKOSA-N 0 3 366.918 3.189 20 30 FGEDHN COC(=O)c1ccc(N2CCN(Cc3ccc(CC#N)cc3)[C@H](C)C2)cc1 ZINC000541272236 504068606 /nfs/dbraw/zinc/06/86/06/504068606.db2.gz PXNADDLJEKQULU-QGZVFWFLSA-N 0 3 363.461 3.250 20 30 FGEDHN C=CCN1CCC(NC(=O)NCC2(c3ccc(OC)cc3)CCC2)CC1 ZINC000541335041 504094271 /nfs/dbraw/zinc/09/42/71/504094271.db2.gz HMJZRAJVJJMWJS-UHFFFAOYSA-N 0 3 357.498 3.067 20 30 FGEDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(CC#N)cc3)CC2)c(C)o1 ZINC000541347644 504099714 /nfs/dbraw/zinc/09/97/14/504099714.db2.gz DRKGNPWNGRZXEL-UHFFFAOYSA-N 0 3 351.450 3.357 20 30 FGEDHN C=C(C)[C@@H](CC(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)OCC ZINC000534403212 504132271 /nfs/dbraw/zinc/13/22/71/504132271.db2.gz LVWUKLSKWKCXGP-HXUWFJFHSA-N 0 3 359.514 3.134 20 30 FGEDHN C=C(C)[C@H](CC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC)OCC ZINC000534423407 504138911 /nfs/dbraw/zinc/13/89/11/504138911.db2.gz YYMRDEGXNCAJBP-PMACEKPBSA-N 0 3 359.514 3.266 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c(OC)ccc(SC)c2OC)CC1 ZINC000538294606 504193901 /nfs/dbraw/zinc/19/39/01/504193901.db2.gz UTKAQPHVZJRJAK-UHFFFAOYSA-N 0 3 364.511 3.196 20 30 FGEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2CCCOC2)ccc1Cl ZINC000541647054 504209255 /nfs/dbraw/zinc/20/92/55/504209255.db2.gz CSRZCPKLVDGQHF-JKSUJKDBSA-N 0 3 363.889 3.300 20 30 FGEDHN COc1ccc2c(c1)C[C@H](C)N(C[C@H](O)COc1ccccc1C#N)[C@H]2C ZINC000528442473 504225655 /nfs/dbraw/zinc/22/56/55/504225655.db2.gz MDHSNPNWPYAESP-BXWFABGCSA-N 0 3 366.461 3.314 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000528487729 504243978 /nfs/dbraw/zinc/24/39/78/504243978.db2.gz LDLVVFHFAVVIOX-DOTOQJQBSA-N 0 3 368.399 3.352 20 30 FGEDHN N#CC(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccncn1 ZINC000544815116 504267934 /nfs/dbraw/zinc/26/79/34/504267934.db2.gz XVSOAUPNBXABIA-GOSISDBHSA-N 0 3 369.384 3.193 20 30 FGEDHN C=CCN(CCc1c(C)noc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000535205722 504371574 /nfs/dbraw/zinc/37/15/74/504371574.db2.gz IGMZBGTXJGOVDF-OAHLLOKOSA-N 0 3 352.442 3.059 20 30 FGEDHN CC(C)N(CCN(C)C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000538801853 504377309 /nfs/dbraw/zinc/37/73/09/504377309.db2.gz NYJYGEXEJYEIMO-UHFFFAOYSA-N 0 3 350.466 3.285 20 30 FGEDHN COc1ccccc1OCCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528784865 504379012 /nfs/dbraw/zinc/37/90/12/504379012.db2.gz RCNWGGZBGQSRMI-UHFFFAOYSA-N 0 3 352.434 3.241 20 30 FGEDHN CC(C)Oc1ccc(NC(=O)NC[C@H]2CCN2C2CCCC2)cc1C#N ZINC000529029571 504501189 /nfs/dbraw/zinc/50/11/89/504501189.db2.gz DFDRDMVXDXAZNT-GOSISDBHSA-N 0 3 356.470 3.484 20 30 FGEDHN CCC(CC)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 ZINC000539452472 504576900 /nfs/dbraw/zinc/57/69/00/504576900.db2.gz DQJOXLUGNJTJBY-SFHVURJKSA-N 0 3 374.554 3.110 20 30 FGEDHN C=CCN(Cc1ccc(OCCN2CCOCC2)c(Cl)c1)C1CC1 ZINC000542691870 504577280 /nfs/dbraw/zinc/57/72/80/504577280.db2.gz QMUIXBQFONEGSA-UHFFFAOYSA-N 0 3 350.890 3.201 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000545901236 504631687 /nfs/dbraw/zinc/63/16/87/504631687.db2.gz BVEFIAUXLSGPOK-KUHUBIRLSA-N 0 3 353.853 3.462 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000532504817 504674461 /nfs/dbraw/zinc/67/44/61/504674461.db2.gz DFBQTAVKLVWJBI-LAUBAEHRSA-N 0 3 359.473 3.369 20 30 FGEDHN Cc1nc([C@@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000539767838 504680416 /nfs/dbraw/zinc/68/04/16/504680416.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 0 3 364.371 3.243 20 30 FGEDHN Cc1n[nH]c([C@@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000539767838 504680418 /nfs/dbraw/zinc/68/04/18/504680418.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 0 3 364.371 3.243 20 30 FGEDHN Cc1nnc([C@@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH]1 ZINC000539767838 504680419 /nfs/dbraw/zinc/68/04/19/504680419.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 0 3 364.371 3.243 20 30 FGEDHN CCN(CC)CCN(CC(=O)Nc1ccc(C#N)cc1)Cc1cccs1 ZINC000532646276 504722761 /nfs/dbraw/zinc/72/27/61/504722761.db2.gz BCCTWGOFPJDMGA-UHFFFAOYSA-N 0 3 370.522 3.402 20 30 FGEDHN C=CCOc1ccc(CN2CCC(Cc3nc(CCOC)no3)CC2)cc1 ZINC000529642389 504751219 /nfs/dbraw/zinc/75/12/19/504751219.db2.gz XDNWBSCRANHVOJ-UHFFFAOYSA-N 0 3 371.481 3.278 20 30 FGEDHN Cc1c2cc(F)ccc2oc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000552836439 504772948 /nfs/dbraw/zinc/77/29/48/504772948.db2.gz BVUMSUZBGHOZKF-KRWDZBQOSA-N 0 3 368.408 3.476 20 30 FGEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000549263294 504776610 /nfs/dbraw/zinc/77/66/10/504776610.db2.gz XTOMGIPDLOCMFD-UHFFFAOYSA-N 0 3 361.534 3.091 20 30 FGEDHN N#CCC1(CNC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000562382156 504801798 /nfs/dbraw/zinc/80/17/98/504801798.db2.gz AETZAWDZYZFAKY-QFIPXVFZSA-N 0 3 366.509 3.378 20 30 FGEDHN COC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(C#N)n1 ZINC000565229616 504830546 /nfs/dbraw/zinc/83/05/46/504830546.db2.gz NCRNAWZMCPUYHG-DOTOQJQBSA-N 0 3 364.449 3.062 20 30 FGEDHN COC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c(C#N)n1 ZINC000565229624 504830558 /nfs/dbraw/zinc/83/05/58/504830558.db2.gz NCRNAWZMCPUYHG-NVXWUHKLSA-N 0 3 364.449 3.062 20 30 FGEDHN C=CCOCCN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000549527308 504841962 /nfs/dbraw/zinc/84/19/62/504841962.db2.gz JFUKLEBRPUFRCD-UHFFFAOYSA-N 0 3 367.287 3.302 20 30 FGEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(C#N)n1 ZINC000565303127 504848875 /nfs/dbraw/zinc/84/88/75/504848875.db2.gz QRXLSARPJPTNJM-SFHVURJKSA-N 0 3 363.465 3.375 20 30 FGEDHN CN(C)[C@H](CNC(=O)CSc1cccc(F)c1C#N)c1ccccc1 ZINC000565371142 504867621 /nfs/dbraw/zinc/86/76/21/504867621.db2.gz BPVDEMBTSORGTG-QGZVFWFLSA-N 0 3 357.454 3.209 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000556451100 504878024 /nfs/dbraw/zinc/87/80/24/504878024.db2.gz CARRZGHFDQNDOF-LJQANCHMSA-N 0 3 367.415 3.195 20 30 FGEDHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C ZINC000553478795 504926776 /nfs/dbraw/zinc/92/67/76/504926776.db2.gz UEOATGCZFOOPBQ-KJWYOANISA-N 0 3 361.461 3.110 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565652942 504949719 /nfs/dbraw/zinc/94/97/19/504949719.db2.gz BHUUOQXQCSFMDL-DENIHFKCSA-N 0 3 361.445 3.031 20 30 FGEDHN CC(C)COc1ccccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000560360314 505058728 /nfs/dbraw/zinc/05/87/28/505058728.db2.gz WUSIPSVUVAZYRR-LJQANCHMSA-N 0 3 354.450 3.123 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000566140327 505095038 /nfs/dbraw/zinc/09/50/38/505095038.db2.gz ZOCNZOWLFMRZOA-KPFFTGBYSA-N 0 3 357.498 3.102 20 30 FGEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(C#N)cc1OC)c1ccco1 ZINC000554299466 505139294 /nfs/dbraw/zinc/13/92/94/505139294.db2.gz WQHLBEIMLXYFRD-CZUORRHYSA-N 0 3 356.426 3.411 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(c3ccccn3)CC2)cc1 ZINC000563543586 505172035 /nfs/dbraw/zinc/17/20/35/505172035.db2.gz WNWKONLVLWCANK-SFHVURJKSA-N 0 3 362.408 3.123 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC3CCCC3)cc2)CC1 ZINC000551259281 505186577 /nfs/dbraw/zinc/18/65/77/505186577.db2.gz PNXPBIAYKKASAJ-UHFFFAOYSA-N 0 3 357.498 3.458 20 30 FGEDHN COc1ccc(CN2CC[C@H](COC(F)F)C2)cc1OCCCC#N ZINC000566705543 505248877 /nfs/dbraw/zinc/24/88/77/505248877.db2.gz JVANLYJPODUXLK-HNNXBMFYSA-N 0 3 354.397 3.439 20 30 FGEDHN COc1cc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccn1 ZINC000563929745 505279517 /nfs/dbraw/zinc/27/95/17/505279517.db2.gz MJBMFMSWLIFTHW-WMLDXEAASA-N 0 3 354.429 3.421 20 30 FGEDHN CCN1CCC(N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000558124020 505313309 /nfs/dbraw/zinc/31/33/09/505313309.db2.gz AJANWHDQNDYEEF-UHFFFAOYSA-N 0 3 364.449 3.302 20 30 FGEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@]12CCCO2 ZINC000554977726 505317982 /nfs/dbraw/zinc/31/79/82/505317982.db2.gz YWJVVSXJJLHEII-GVDBMIGSSA-N 0 3 354.372 3.393 20 30 FGEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000561429261 505343427 /nfs/dbraw/zinc/34/34/27/505343427.db2.gz VUNHHXMKOXMTFX-KRWDZBQOSA-N 0 3 367.449 3.334 20 30 FGEDHN C[C@H]1CCc2ccc(Br)cc2[C@@H](NCCn2cnc(C#N)n2)C1 ZINC000552099541 505399487 /nfs/dbraw/zinc/39/94/87/505399487.db2.gz MAQMFKYSTBNDMC-LRDDRELGSA-N 0 3 374.286 3.216 20 30 FGEDHN C=CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000564384051 505402311 /nfs/dbraw/zinc/40/23/11/505402311.db2.gz GSGKFDLPBXFYNG-HOTGVXAUSA-N 0 3 357.477 3.113 20 30 FGEDHN N#Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)c(F)c1 ZINC000555505314 505443074 /nfs/dbraw/zinc/44/30/74/505443074.db2.gz AXZOUHNYDUBUIN-UHFFFAOYSA-N 0 3 366.440 3.135 20 30 FGEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000564537513 505445890 /nfs/dbraw/zinc/44/58/90/505445890.db2.gz XAGAQZFNSDUUTE-HOTGVXAUSA-N 0 3 364.371 3.320 20 30 FGEDHN CN(CCCN(C)C(=O)[C@H](C#N)CCc1ccccc1)Cc1ccncc1 ZINC000567396157 505449779 /nfs/dbraw/zinc/44/97/79/505449779.db2.gz UTLFGNSOFZSJHO-NRFANRHFSA-N 0 3 364.493 3.134 20 30 FGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000567431577 505460352 /nfs/dbraw/zinc/46/03/52/505460352.db2.gz RDXHUFQOICJSNJ-KYNGSXCRSA-N 0 3 365.468 3.113 20 30 FGEDHN N#Cc1cc(Br)ccc1CN[C@H](CC(N)=O)C1CCCCC1 ZINC000561892923 505460886 /nfs/dbraw/zinc/46/08/86/505460886.db2.gz JAPOSCUBLFMFJY-MRXNPFEDSA-N 0 3 364.287 3.235 20 30 FGEDHN N#CCCn1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)c(-c2ccncc2)n1 ZINC000561970470 505481581 /nfs/dbraw/zinc/48/15/81/505481581.db2.gz MXYWKISOHUWZGK-GOSISDBHSA-N 0 3 374.448 3.127 20 30 FGEDHN C=CCNC(=O)CN[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564741503 505508374 /nfs/dbraw/zinc/50/83/74/505508374.db2.gz PZPHZUONLRYVJA-SJLPKXTDSA-N 0 3 367.896 3.285 20 30 FGEDHN COc1ccccc1COC[C@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000567694074 505538625 /nfs/dbraw/zinc/53/86/25/505538625.db2.gz HPGIHBQLCILKGS-TZIWHRDSSA-N 0 3 366.461 3.112 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558973248 505541788 /nfs/dbraw/zinc/54/17/88/505541788.db2.gz OYTUAGUBXQHOJK-KDOFPFPSSA-N 0 3 371.868 3.398 20 30 FGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000567736271 505553025 /nfs/dbraw/zinc/55/30/25/505553025.db2.gz DKQHPMIDVBVJEP-HLLBOEOZSA-N 0 3 358.511 3.496 20 30 FGEDHN CN(Cc1ccc(Br)s1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599259120 506387510 /nfs/dbraw/zinc/38/75/10/506387510.db2.gz LMZPRLMKPIEJEB-GFCCVEGCSA-N 0 3 373.316 3.014 20 30 FGEDHN Cc1ccc(C)c(OC2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599271529 506392385 /nfs/dbraw/zinc/39/23/85/506392385.db2.gz ZDRJWNQAFHFGEL-LJQANCHMSA-N 0 3 372.509 3.218 20 30 FGEDHN COc1ccc(Cl)c2c1CCC[C@H]2N(C)CCC(=O)N(C)CCC#N ZINC000593106017 506396613 /nfs/dbraw/zinc/39/66/13/506396613.db2.gz VHBZPHDAKJVJHQ-MRXNPFEDSA-N 0 3 363.889 3.420 20 30 FGEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000599345646 506420379 /nfs/dbraw/zinc/42/03/79/506420379.db2.gz TUKVBSSOXXMPHS-CZUORRHYSA-N 0 3 356.388 3.427 20 30 FGEDHN CC(C)Oc1cccc([C@H](C)NC[C@H](O)COc2ccccc2C#N)c1 ZINC000599350438 506422899 /nfs/dbraw/zinc/42/28/99/506422899.db2.gz SHTUWHIEOGDZTI-LPHOPBHVSA-N 0 3 354.450 3.436 20 30 FGEDHN COc1ccccc1[C@@H](CC(C)C)NC[C@H](O)CC1(C#N)CCOCC1 ZINC000599355379 506425862 /nfs/dbraw/zinc/42/58/62/506425862.db2.gz ZSPMURIMYTTZLU-IEBWSBKVSA-N 0 3 360.498 3.443 20 30 FGEDHN COc1cc(Br)ccc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599385941 506436231 /nfs/dbraw/zinc/43/62/31/506436231.db2.gz JQNVSFVUWTYLTD-WCQYABFASA-N 0 3 353.260 3.163 20 30 FGEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000612115409 506443779 /nfs/dbraw/zinc/44/37/79/506443779.db2.gz ILIPDVKHKCAUQD-PZJWPPBQSA-N 0 3 354.498 3.234 20 30 FGEDHN CC[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(OC)c(OC)c1 ZINC000599414581 506446331 /nfs/dbraw/zinc/44/63/31/506446331.db2.gz GNNQUYJLAOMXEI-ROUUACIJSA-N 0 3 370.449 3.056 20 30 FGEDHN Cc1cc(F)ccc1C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599427564 506452634 /nfs/dbraw/zinc/45/26/34/506452634.db2.gz CQWXLWJHENYPCI-IBGZPJMESA-N 0 3 360.473 3.385 20 30 FGEDHN COc1ccc(CN(CCN(C)C)Cc2ccc(F)c(F)c2)cc1C#N ZINC000589194410 506477389 /nfs/dbraw/zinc/47/73/89/506477389.db2.gz OJDQFMPPDHEQAE-UHFFFAOYSA-N 0 3 359.420 3.409 20 30 FGEDHN Cc1ccc(-c2n[nH]cc2CN(C)CCOCc2ccc(C#N)cc2)o1 ZINC000589210645 506486613 /nfs/dbraw/zinc/48/66/13/506486613.db2.gz ZECVVVIBVVQIAO-UHFFFAOYSA-N 0 3 350.422 3.498 20 30 FGEDHN N#Cc1c(F)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1F ZINC000596625805 506497326 /nfs/dbraw/zinc/49/73/26/506497326.db2.gz FDYAXYAJHJXJGM-UHFFFAOYSA-N 0 3 355.388 3.231 20 30 FGEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599581837 506509236 /nfs/dbraw/zinc/50/92/36/506509236.db2.gz KOAZMSZRXNYENX-IRXDYDNUSA-N 0 3 350.503 3.387 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000603444613 506514709 /nfs/dbraw/zinc/51/47/09/506514709.db2.gz NEYSUYMWVZWENG-QWHCGFSZSA-N 0 3 372.494 3.169 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C#N)CCCC1 ZINC000593370485 506579699 /nfs/dbraw/zinc/57/96/99/506579699.db2.gz LUBMQUCNVIKZEV-PKOBYXMFSA-N 0 3 354.498 3.280 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C#N)CCCC1 ZINC000593370482 506580519 /nfs/dbraw/zinc/58/05/19/506580519.db2.gz LUBMQUCNVIKZEV-IEBWSBKVSA-N 0 3 354.498 3.280 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)NCC2(C#N)CCCC2)CCN1Cc1ccccc1 ZINC000593374270 506583477 /nfs/dbraw/zinc/58/34/77/506583477.db2.gz YHYVXLKQGMQCHC-HKUYNNGSSA-N 0 3 354.498 3.423 20 30 FGEDHN N#CCc1cccc(S(=O)(=O)[N-]c2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000589587586 506593509 /nfs/dbraw/zinc/59/35/09/506593509.db2.gz CMAJOOJQXUDHTG-UHFFFAOYSA-N 0 3 369.490 3.192 20 30 FGEDHN C=C(C)COc1cc(CN[C@H](C(=O)N2CCCC2)C(C)C)ccc1OC ZINC000603722816 506602608 /nfs/dbraw/zinc/60/26/08/506602608.db2.gz QSWKBBKHTHRBCP-FQEVSTJZSA-N 0 3 360.498 3.387 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC000599793859 506639855 /nfs/dbraw/zinc/63/98/55/506639855.db2.gz WPUFWOZQKIOFFM-KGLIPLIRSA-N 0 3 361.467 3.074 20 30 FGEDHN Cn1c2ccccc2cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=O ZINC000583212303 506652302 /nfs/dbraw/zinc/65/23/02/506652302.db2.gz MOIFANUPJSLRRH-UHFFFAOYSA-N 0 3 373.456 3.454 20 30 FGEDHN CC1CCN([C@@H](CNC(=O)CC2(C#N)CCOCC2)c2ccccc2)CC1 ZINC000596890948 506660067 /nfs/dbraw/zinc/66/00/67/506660067.db2.gz YWTHDNZKQNBURL-FQEVSTJZSA-N 0 3 369.509 3.286 20 30 FGEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000596904963 506666861 /nfs/dbraw/zinc/66/68/61/506666861.db2.gz RJLSHZYIIMVXOD-CYBMUJFWSA-N 0 3 365.275 3.315 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000596909844 506671300 /nfs/dbraw/zinc/67/13/00/506671300.db2.gz AMRPQHUZVTWSAF-IBGZPJMESA-N 0 3 366.440 3.478 20 30 FGEDHN CC[C@H](C#N)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000593540382 506677818 /nfs/dbraw/zinc/67/78/18/506677818.db2.gz ULVSZHFNWPSABN-MSOLQXFVSA-N 0 3 351.454 3.127 20 30 FGEDHN N#Cc1ccc(OC2CCC(NCc3cnnn3-c3ccccc3)CC2)nc1 ZINC000593607415 506700362 /nfs/dbraw/zinc/70/03/62/506700362.db2.gz GFBXALLQMLXIEH-UHFFFAOYSA-N 0 3 374.448 3.014 20 30 FGEDHN CCCN(C)[C@H](CNC(=O)Cc1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000599928346 506716738 /nfs/dbraw/zinc/71/67/38/506716738.db2.gz MTQDVEZHZGYBPO-LJQANCHMSA-N 0 3 370.884 3.348 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000593692570 506733887 /nfs/dbraw/zinc/73/38/87/506733887.db2.gz GHFWIVLRGIFGEV-UHFFFAOYSA-N 0 3 361.449 3.296 20 30 FGEDHN N#Cc1cccc(CN2CCC(NCc3nccn3-c3ccccc3)CC2)c1 ZINC000593693440 506734308 /nfs/dbraw/zinc/73/43/08/506734308.db2.gz ZNCDYQWYBDHIGB-UHFFFAOYSA-N 0 3 371.488 3.498 20 30 FGEDHN N#CC1(c2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)CC1 ZINC000597118361 506785725 /nfs/dbraw/zinc/78/57/25/506785725.db2.gz MDWKHBYLVYRRHZ-UHFFFAOYSA-N 0 3 351.410 3.184 20 30 FGEDHN CN(CCN1CCCCC1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000593884640 506818838 /nfs/dbraw/zinc/81/88/38/506818838.db2.gz UYLKKQAQSGAMLJ-UHFFFAOYSA-N 0 3 367.449 3.288 20 30 FGEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000593960711 506852039 /nfs/dbraw/zinc/85/20/39/506852039.db2.gz CJNFUFBLTJAYDK-KRWDZBQOSA-N 0 3 371.550 3.215 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1OCc2ccccc21 ZINC000593961323 506852434 /nfs/dbraw/zinc/85/24/34/506852434.db2.gz GTLODANKOFUJQE-NRFANRHFSA-N 0 3 363.461 3.110 20 30 FGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)CC2 ZINC000583594977 506866010 /nfs/dbraw/zinc/86/60/10/506866010.db2.gz WPAFAHMMXNKFEE-NXHRZFHOSA-N 0 3 350.422 3.316 20 30 FGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594070433 506921594 /nfs/dbraw/zinc/92/15/94/506921594.db2.gz ZDVTVCPSLPSEAK-FUHWJXTLSA-N 0 3 356.470 3.484 20 30 FGEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)C2CC2)cc1OCC ZINC000604764486 506933102 /nfs/dbraw/zinc/93/31/02/506933102.db2.gz QPYDDLTVMUIFGJ-OAHLLOKOSA-N 0 3 370.287 3.273 20 30 FGEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000609589604 506933676 /nfs/dbraw/zinc/93/36/76/506933676.db2.gz SSIBJYWKNHGQJD-PKOBYXMFSA-N 0 3 368.868 3.328 20 30 FGEDHN C=CCOc1ccc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000604769094 506934651 /nfs/dbraw/zinc/93/46/51/506934651.db2.gz HEMBIRNNYINJGU-HSZRJFAPSA-N 0 3 366.505 3.368 20 30 FGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000590756310 506939420 /nfs/dbraw/zinc/93/94/20/506939420.db2.gz IFVUMKUDJNTSIG-TYPHKJRUSA-N 0 3 369.509 3.343 20 30 FGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)CC#N ZINC000597416562 506941333 /nfs/dbraw/zinc/94/13/33/506941333.db2.gz SLNQYWIJUSHRLX-CRAIPNDOSA-N 0 3 351.454 3.127 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744637 506987691 /nfs/dbraw/zinc/98/76/91/506987691.db2.gz NVSCWTYBMWRJBZ-HXUWFJFHSA-N 0 3 354.425 3.144 20 30 FGEDHN CN(CCNC(=O)NC1(c2ccc(C#N)cc2)CCC1)Cc1ccccc1 ZINC000594215263 507015964 /nfs/dbraw/zinc/01/59/64/507015964.db2.gz CYQKOMHATQXQAI-UHFFFAOYSA-N 0 3 362.477 3.369 20 30 FGEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)n1-c1nccs1 ZINC000613296474 507016246 /nfs/dbraw/zinc/01/62/46/507016246.db2.gz VUOFEDLEFYGGGU-OAHLLOKOSA-N 0 3 351.435 3.448 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000597616645 507032417 /nfs/dbraw/zinc/03/24/17/507032417.db2.gz IESMVIJAPGDCCS-IBGZPJMESA-N 0 3 371.525 3.200 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594238867 507035359 /nfs/dbraw/zinc/03/53/59/507035359.db2.gz JRBYTGCHHGPLMF-HRAATJIYSA-N 0 3 360.461 3.104 20 30 FGEDHN CC[C@H](C)N[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)c1ccco1 ZINC000594247158 507039516 /nfs/dbraw/zinc/03/95/16/507039516.db2.gz AZQIIIZRFVMGQO-KBXCAEBGSA-N 0 3 352.438 3.306 20 30 FGEDHN Cc1ccc(CS(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)cc1C#N ZINC000600663669 507054122 /nfs/dbraw/zinc/05/41/22/507054122.db2.gz FVZUZHDNLVIJTF-HZPDHXFCSA-N 0 3 370.474 3.047 20 30 FGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594281006 507060442 /nfs/dbraw/zinc/06/04/42/507060442.db2.gz AIKQVVXDMPBNLQ-UXHICEINSA-N 0 3 352.482 3.273 20 30 FGEDHN C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000613389233 507065569 /nfs/dbraw/zinc/06/55/69/507065569.db2.gz FNBRJZONVBEWRY-WFXMLNOXSA-N 0 3 365.477 3.076 20 30 FGEDHN CCOc1ccccc1Oc1ccc(CNC[C@H](O)CC2(C#N)CC2)cn1 ZINC000600714624 507078344 /nfs/dbraw/zinc/07/83/44/507078344.db2.gz ATQNSEXTLOGXND-QGZVFWFLSA-N 0 3 367.449 3.417 20 30 FGEDHN CC(C)(C)Oc1ccc(CNC[C@@H](O)COc2ccccc2C#N)cc1 ZINC000600719342 507080120 /nfs/dbraw/zinc/08/01/20/507080120.db2.gz DIKAUNHBEBOETQ-GOSISDBHSA-N 0 3 354.450 3.265 20 30 FGEDHN N#CC1(C[C@@H](O)CNCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000600720381 507081535 /nfs/dbraw/zinc/08/15/35/507081535.db2.gz PAUSWRVUHUJZHV-LJQANCHMSA-N 0 3 367.424 3.222 20 30 FGEDHN CC1(C)C[C@H](NC[C@@H](O)CC2(C#N)CCOCC2)c2ccc(F)cc2O1 ZINC000600724515 507083718 /nfs/dbraw/zinc/08/37/18/507083718.db2.gz AJYVTBCFDHDAMQ-RDJZCZTQSA-N 0 3 362.445 3.089 20 30 FGEDHN CC1(C)CN(c2cncc(C#N)n2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000583987736 507087602 /nfs/dbraw/zinc/08/76/02/507087602.db2.gz MDXBNESFFACIQU-NRFANRHFSA-N 0 3 361.493 3.475 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@@H]2CCCOc3cc(Cl)ccc32)CCOCC1 ZINC000600733258 507090061 /nfs/dbraw/zinc/09/00/61/507090061.db2.gz XYNBHIPJPGYYRV-DOTOQJQBSA-N 0 3 364.873 3.215 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594356124 507091254 /nfs/dbraw/zinc/09/12/54/507091254.db2.gz GYIRTGLUICBELI-IIBYNOLFSA-N 0 3 365.477 3.165 20 30 FGEDHN N#CC1(C[C@H](O)CN[C@H]2CCCc3c(F)cc(F)cc32)CCOCC1 ZINC000600738561 507091785 /nfs/dbraw/zinc/09/17/85/507091785.db2.gz JNQUNYYNAGVFFE-KSSFIOAISA-N 0 3 350.409 3.003 20 30 FGEDHN COc1ccc(-c2csc(NC(=O)[C@H](N)CCCCC#N)n2)cc1F ZINC000594424508 507125289 /nfs/dbraw/zinc/12/52/89/507125289.db2.gz AETTVJIUQUPTOL-CYBMUJFWSA-N 0 3 362.430 3.308 20 30 FGEDHN COc1ccc(-c2csc(NC(=O)[C@@H](N)CCCCC#N)n2)cc1F ZINC000594424509 507125636 /nfs/dbraw/zinc/12/56/36/507125636.db2.gz AETTVJIUQUPTOL-ZDUSSCGKSA-N 0 3 362.430 3.308 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000594428591 507127160 /nfs/dbraw/zinc/12/71/60/507127160.db2.gz ZPEKNEQDYOAUMG-KRWDZBQOSA-N 0 3 366.469 3.021 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000594428541 507127312 /nfs/dbraw/zinc/12/73/12/507127312.db2.gz MQZVETSFHGGZHB-RTBURBONSA-N 0 3 369.440 3.473 20 30 FGEDHN C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@H](N)CCCCC#N ZINC000594431027 507129535 /nfs/dbraw/zinc/12/95/35/507129535.db2.gz GAQFKZMMYRQENW-XJKSGUPXSA-N 0 3 366.303 3.298 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000594435370 507131008 /nfs/dbraw/zinc/13/10/08/507131008.db2.gz DIMXXADJXHWDIS-HXUWFJFHSA-N 0 3 350.466 3.064 20 30 FGEDHN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594435082 507131190 /nfs/dbraw/zinc/13/11/90/507131190.db2.gz AIKSFIBZESLMNB-OAHLLOKOSA-N 0 3 355.467 3.286 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000594434582 507131354 /nfs/dbraw/zinc/13/13/54/507131354.db2.gz PPGSCHJGIGRJIC-HNNXBMFYSA-N 0 3 370.478 3.279 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000594435685 507131428 /nfs/dbraw/zinc/13/14/28/507131428.db2.gz FVEKUBRBAUMSMH-QGZVFWFLSA-N 0 3 361.449 3.257 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000594443719 507134849 /nfs/dbraw/zinc/13/48/49/507134849.db2.gz SMNSUVUEZQXZEE-CVEARBPZSA-N 0 3 369.387 3.017 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000594447191 507137233 /nfs/dbraw/zinc/13/72/33/507137233.db2.gz UYVFHIKKBJXCFB-GJZGRUSLSA-N 0 3 360.527 3.139 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(C)(C)C)on1 ZINC000610224024 507146037 /nfs/dbraw/zinc/14/60/37/507146037.db2.gz DEXNBFXTWBFNBV-UHFFFAOYSA-N 0 3 354.454 3.048 20 30 FGEDHN C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)N1[C@H](C)CC[C@@H]1C ZINC000591183451 507146056 /nfs/dbraw/zinc/14/60/56/507146056.db2.gz ZAKGYNBKYLFFGH-OQMKEHIESA-N 0 3 364.287 3.391 20 30 FGEDHN C[C@H](NC(=O)Nc1cccc(OCCN(C)C)c1)c1cccc(C#N)c1 ZINC000610320892 507193952 /nfs/dbraw/zinc/19/39/52/507193952.db2.gz AGDUVAGUULHPHR-HNNXBMFYSA-N 0 3 352.438 3.381 20 30 FGEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1C(F)(F)F ZINC000610331079 507198419 /nfs/dbraw/zinc/19/84/19/507198419.db2.gz OZWYGHMMWZXHSZ-CQSZACIVSA-N 0 3 352.360 3.183 20 30 FGEDHN CCC(C)(C)N1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000594595432 507200721 /nfs/dbraw/zinc/20/07/21/507200721.db2.gz YJOMEOVSEWFNEF-UHFFFAOYSA-N 0 3 353.426 3.325 20 30 FGEDHN COC(=O)c1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c(C)o1 ZINC000594606308 507206941 /nfs/dbraw/zinc/20/69/41/507206941.db2.gz KBWPTFCWMSZEHW-UHFFFAOYSA-N 0 3 367.449 3.001 20 30 FGEDHN COc1ccc(CN2CCC(CNC(=O)C3(C#N)CC4(CC4)C3)CC2)cc1 ZINC000601019139 507230551 /nfs/dbraw/zinc/23/05/51/507230551.db2.gz CMVJFHWDSVRCIH-UHFFFAOYSA-N 0 3 367.493 3.107 20 30 FGEDHN Cc1ccc([C@H](CNCc2ccc(C3(C#N)CC3)cc2)N2CCOCC2)o1 ZINC000594916532 507313554 /nfs/dbraw/zinc/31/35/54/507313554.db2.gz FHYBKKNVGFJBLG-FQEVSTJZSA-N 0 3 365.477 3.306 20 30 FGEDHN CC(C)(C)N1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000584444371 507347683 /nfs/dbraw/zinc/34/76/83/507347683.db2.gz IREJEURVOVTKIA-UHFFFAOYSA-N 0 3 352.438 3.160 20 30 FGEDHN COc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1C ZINC000594999558 507348421 /nfs/dbraw/zinc/34/84/21/507348421.db2.gz VCYHQBDWQPKAOR-UHFFFAOYSA-N 0 3 361.449 3.466 20 30 FGEDHN CC(C)(C)c1nn(-c2ccccc2)cc1CNC1CCN(CC#N)CC1 ZINC000610718225 507362325 /nfs/dbraw/zinc/36/23/25/507362325.db2.gz JFJVENATNNVIOH-UHFFFAOYSA-N 0 3 351.498 3.247 20 30 FGEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000610722140 507364620 /nfs/dbraw/zinc/36/46/20/507364620.db2.gz MILJCNRIWRMBLK-AQNXPRMDSA-N 0 3 354.498 3.342 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)C2(C#N)CC3(CC3)C2)N(C)C)cc1 ZINC000601582859 507394624 /nfs/dbraw/zinc/39/46/24/507394624.db2.gz VFULMNKTSGDNAT-GOSISDBHSA-N 0 3 355.482 3.277 20 30 FGEDHN CO[C@H](CN1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CCC1 ZINC000595299018 507452710 /nfs/dbraw/zinc/45/27/10/507452710.db2.gz VCIGDJBJJGVLNC-HXUWFJFHSA-N 0 3 350.466 3.044 20 30 FGEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000592068701 507473961 /nfs/dbraw/zinc/47/39/61/507473961.db2.gz TZXGPBZQHPMATJ-UHFFFAOYSA-N 0 3 351.450 3.041 20 30 FGEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000592149781 507509569 /nfs/dbraw/zinc/50/95/69/507509569.db2.gz WJOXUKCONVEBSG-NRFANRHFSA-N 0 3 365.433 3.158 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000598611335 507517679 /nfs/dbraw/zinc/51/76/79/507517679.db2.gz MNABCRSBEJHUNX-FZMZJTMJSA-N 0 3 364.795 3.283 20 30 FGEDHN N#CC[C@@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000595480375 507521463 /nfs/dbraw/zinc/52/14/63/507521463.db2.gz WALLWPMIGXIYTH-KRWDZBQOSA-N 0 3 360.527 3.295 20 30 FGEDHN CN(C)CCOc1cnccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000584832445 507530284 /nfs/dbraw/zinc/53/02/84/507530284.db2.gz XNDUNJDCDJDIAA-OAQYLSRUSA-N 0 3 364.493 3.451 20 30 FGEDHN N#Cc1c(NC(=O)CNC2(CCO)CCCC2)sc2c1CCCCC2 ZINC000595509338 507537698 /nfs/dbraw/zinc/53/76/98/507537698.db2.gz REJQEJBDJCYSEH-UHFFFAOYSA-N 0 3 361.511 3.112 20 30 FGEDHN COc1cc(OC)cc(N2CC[C@@H](CNCc3cccc(F)c3C#N)C2)c1 ZINC000602011606 507554178 /nfs/dbraw/zinc/55/41/78/507554178.db2.gz IIJLNZMJWROOSJ-HNNXBMFYSA-N 0 3 369.440 3.331 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCc2c1ccc(F)c2Br ZINC000598728785 507569160 /nfs/dbraw/zinc/56/91/60/507569160.db2.gz VQFIQSICRLBFBG-HZMBPMFUSA-N 0 3 355.251 3.466 20 30 FGEDHN C[C@@]1(CNC(=O)N2CCC[C@H](CC#N)C2)CCCN1Cc1ccccc1 ZINC000595588259 507578071 /nfs/dbraw/zinc/57/80/71/507578071.db2.gz HMAYQYCQENJBLJ-CTNGQTDRSA-N 0 3 354.498 3.376 20 30 FGEDHN N#CC1(CNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000595595309 507582307 /nfs/dbraw/zinc/58/23/07/507582307.db2.gz JSHCCDXRNIOKFV-IBGZPJMESA-N 0 3 354.498 3.282 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)CN1C ZINC000611259415 507587149 /nfs/dbraw/zinc/58/71/49/507587149.db2.gz XSNOPJKVQFAWDH-CABCVRRESA-N 0 3 374.554 3.242 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOc3c(CC)cccc32)CC1 ZINC000592297457 507600276 /nfs/dbraw/zinc/60/02/76/507600276.db2.gz QOYYZVAPTWFXFC-LJQANCHMSA-N 0 3 357.498 3.412 20 30 FGEDHN CC(C)(NCCCS(=O)(=O)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000595639459 507608886 /nfs/dbraw/zinc/60/88/86/507608886.db2.gz IDCICCLUUDMEIO-UHFFFAOYSA-N 0 3 360.454 3.386 20 30 FGEDHN C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@H]3CCC[C@@H](C#N)C3)c2)C1=O ZINC000585765460 507620612 /nfs/dbraw/zinc/62/06/12/507620612.db2.gz HTZDHNNJBRVBRI-DAESXHAQSA-N 0 3 366.465 3.083 20 30 FGEDHN C[C@@]12COC[C@]1(C)CN(CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2 ZINC000595687455 507628074 /nfs/dbraw/zinc/62/80/74/507628074.db2.gz AAYTZVBZEOFKSP-BGYRXZFFSA-N 0 3 373.522 3.186 20 30 FGEDHN CC(C)[C@H](C#N)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC000602307620 507663514 /nfs/dbraw/zinc/66/35/14/507663514.db2.gz OZGXJNPINAMEKF-KURKYZTESA-N 0 3 368.506 3.023 20 30 FGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)CC3=CCCOC3)sc2C1 ZINC000595753115 507668469 /nfs/dbraw/zinc/66/84/69/507668469.db2.gz PNXABWHGCLBHLM-CQSZACIVSA-N 0 3 373.522 3.352 20 30 FGEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000614843044 507672934 /nfs/dbraw/zinc/67/29/34/507672934.db2.gz IIAKSOGSSPMNES-OAQYLSRUSA-N 0 3 359.473 3.323 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(COc2cccc(F)c2)cc1 ZINC000592567466 507707469 /nfs/dbraw/zinc/70/74/69/507707469.db2.gz BDCREZMCWQEOPT-IBGZPJMESA-N 0 3 355.413 3.042 20 30 FGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OCC(F)(F)F)nc1 ZINC000602514221 507733230 /nfs/dbraw/zinc/73/32/30/507733230.db2.gz IIUWNWXSOQNTSF-ZDUSSCGKSA-N 0 3 357.376 3.211 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000602535400 507740130 /nfs/dbraw/zinc/74/01/30/507740130.db2.gz ZZGKYWTZANQUHZ-WUTVXBCWSA-N 0 3 364.287 3.380 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000595938501 507749892 /nfs/dbraw/zinc/74/98/92/507749892.db2.gz NCQBKGZJOKRYIO-INIZCTEOSA-N 0 3 369.296 3.053 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)Nc2cncc(C)c2)[C@@H]1c1cnn(C)c1 ZINC000328615543 521614192 /nfs/dbraw/zinc/61/41/92/521614192.db2.gz AWJWRCVKLYCGSI-QFBILLFUSA-N 0 3 370.501 3.074 20 30 FGEDHN CCN1CCC[C@@H](CN(C)C(=O)Nc2cnccc2C)[C@@H]1c1cnn(C)c1 ZINC000328623419 521614710 /nfs/dbraw/zinc/61/47/10/521614710.db2.gz JCXDLORYAJZKKI-QFBILLFUSA-N 0 3 370.501 3.074 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000636743260 568001273 /nfs/dbraw/zinc/00/12/73/568001273.db2.gz ZROCAHWLMWWWLS-XUVXKRRUSA-N 0 3 363.546 3.142 20 30 FGEDHN CC[N@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825435046 607488033 /nfs/dbraw/zinc/48/80/33/607488033.db2.gz KAAURZIUURBBHZ-AWEZNQCLSA-N 0 3 362.437 3.330 20 30 FGEDHN CC[N@@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825435046 607488035 /nfs/dbraw/zinc/48/80/35/607488035.db2.gz KAAURZIUURBBHZ-AWEZNQCLSA-N 0 3 362.437 3.330 20 30 FGEDHN CC[N@H+](Cc1ccc(OC)c(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825435046 607488036 /nfs/dbraw/zinc/48/80/36/607488036.db2.gz KAAURZIUURBBHZ-AWEZNQCLSA-N 0 3 362.437 3.330 20 30 FGEDHN CC[N@@H+](Cc1ccc(OC)c(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825435046 607488038 /nfs/dbraw/zinc/48/80/38/607488038.db2.gz KAAURZIUURBBHZ-AWEZNQCLSA-N 0 3 362.437 3.330 20 30 FGEDHN C=C(C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823878111 609371192 /nfs/dbraw/zinc/37/11/92/609371192.db2.gz PBUSAPUNKFIRAU-UHFFFAOYSA-N 0 3 374.514 3.034 20 30 FGEDHN C=C(C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823878111 609371194 /nfs/dbraw/zinc/37/11/94/609371194.db2.gz PBUSAPUNKFIRAU-UHFFFAOYSA-N 0 3 374.514 3.034 20 30 FGEDHN C=C(C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823878111 609371196 /nfs/dbraw/zinc/37/11/96/609371196.db2.gz PBUSAPUNKFIRAU-UHFFFAOYSA-N 0 3 374.514 3.034 20 30 FGEDHN C=C(C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823878111 609371199 /nfs/dbraw/zinc/37/11/99/609371199.db2.gz PBUSAPUNKFIRAU-UHFFFAOYSA-N 0 3 374.514 3.034 20 30 FGEDHN CN(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)[C@@H]1CCSC1 ZINC000123721202 700709154 /nfs/dbraw/zinc/70/91/54/700709154.db2.gz WZGLVKBIGZPOCC-CABCVRRESA-N 0 3 357.504 3.424 20 30 FGEDHN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125134459 700730771 /nfs/dbraw/zinc/73/07/71/700730771.db2.gz LBGHJSZJRGWQSN-GXTWGEPZSA-N 0 3 357.797 3.158 20 30 FGEDHN N#CC(C(=O)CSc1ccncc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130127485 700796588 /nfs/dbraw/zinc/79/65/88/700796588.db2.gz PMHSLSCTNGQRDT-GFCCVEGCSA-N 0 3 363.801 3.314 20 30 FGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000170709570 705356791 /nfs/dbraw/zinc/35/67/91/705356791.db2.gz ZCLWENCCLCODLV-CQSZACIVSA-N 0 3 359.451 3.269 20 30 FGEDHN COCCNC(=O)C(C#N)C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000178768807 705674815 /nfs/dbraw/zinc/67/48/15/705674815.db2.gz HCVPPDORMWXNIW-CYBMUJFWSA-N 0 3 371.264 3.178 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCS[C@H]2COCC[C@H]21 ZINC000247261746 713638258 /nfs/dbraw/zinc/63/82/58/713638258.db2.gz RQTATHMOPXDUIF-SJORKVTESA-N 0 3 361.536 3.478 20 30 FGEDHN N#Cc1c(F)ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1Cl ZINC000374639083 713935911 /nfs/dbraw/zinc/93/59/11/713935911.db2.gz HDAFYPIZPJWNAM-GUYCJALGSA-N 0 3 352.837 3.008 20 30 FGEDHN C=CCC[C@H](CO)NCc1cc(OC(F)F)ccc1Br ZINC000647215820 718340757 /nfs/dbraw/zinc/34/07/57/718340757.db2.gz IDZYFYILKADQJL-LLVKDONJSA-N 0 3 350.203 3.467 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000654203024 719154208 /nfs/dbraw/zinc/15/42/08/719154208.db2.gz ZRAQIYOFXLLQSQ-UHFFFAOYSA-N 0 3 359.861 3.298 20 30 FGEDHN C[C@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@@H](C)CN1C ZINC001164638060 719205245 /nfs/dbraw/zinc/20/52/45/719205245.db2.gz MYNLADMPOFZHKA-RYUDHWBXSA-N 0 3 359.836 3.337 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCO[C@H]1CC1(F)F ZINC000657237056 719602611 /nfs/dbraw/zinc/60/26/11/719602611.db2.gz DASKBGSDYNQVAJ-AWEZNQCLSA-N 0 3 372.485 3.009 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2cccs2)C(C)(C)CO)CC1 ZINC000664014957 720586436 /nfs/dbraw/zinc/58/64/36/720586436.db2.gz BFTGQVKDLDBWBA-KRWDZBQOSA-N 0 3 365.543 3.147 20 30 FGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1 ZINC000674434942 721691815 /nfs/dbraw/zinc/69/18/15/721691815.db2.gz NWDBTKXDLVQMIN-VXGBXAGGSA-N 0 3 373.341 3.019 20 30 FGEDHN CCC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000729088747 722457131 /nfs/dbraw/zinc/45/71/31/722457131.db2.gz GQLWBHHNJLTWCP-UWVGGRQHSA-N 0 3 363.389 3.179 20 30 FGEDHN CCOC(=O)N[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000730422387 722468325 /nfs/dbraw/zinc/46/83/25/722468325.db2.gz XCVFYPVWGREYFC-SMDDNHRTSA-N 0 3 363.414 3.382 20 30 FGEDHN C=CCSc1nc2ccccc2n1CN1CCC(N(C)C(C)=O)CC1 ZINC000748084814 722674819 /nfs/dbraw/zinc/67/48/19/722674819.db2.gz UZBJKRFIGBCKRI-UHFFFAOYSA-N 0 3 358.511 3.215 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000751144992 722796139 /nfs/dbraw/zinc/79/61/39/722796139.db2.gz AUUUYZNDSHFOME-WBVHZDCISA-N 0 3 350.384 3.023 20 30 FGEDHN C=CCN1CCC(NC(=O)Nc2nc(-c3ccc(F)cc3)ns2)CC1 ZINC000758082356 722983924 /nfs/dbraw/zinc/98/39/24/722983924.db2.gz ABPTZTZYWFUVAJ-UHFFFAOYSA-N 0 3 361.446 3.116 20 30 FGEDHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000790438557 723140232 /nfs/dbraw/zinc/14/02/32/723140232.db2.gz WJOXPYFTPDUBAQ-KKUMJFAQSA-N 0 3 357.479 3.098 20 30 FGEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)[C@@H](O)c1c(F)cccc1Cl ZINC000793584116 723451166 /nfs/dbraw/zinc/45/11/66/723451166.db2.gz LLHCHHNHZYZOPJ-BBATYDOGSA-N 0 3 358.804 3.210 20 30 FGEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000778173472 724306719 /nfs/dbraw/zinc/30/67/19/724306719.db2.gz KPSJQQURQSFIAT-RDTXWAMCSA-N 0 3 351.899 3.496 20 30 FGEDHN C=CCN1CCC(NC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000806808240 725144477 /nfs/dbraw/zinc/14/44/77/725144477.db2.gz YKMDGTCCBWIUPR-UHFFFAOYSA-N 0 3 370.316 3.163 20 30 FGEDHN C#C[C@H](NCc1cc(I)c(OC)c(OC)c1)C(C)C ZINC000809685392 725258684 /nfs/dbraw/zinc/25/86/84/725258684.db2.gz QRUKJZRXRAJJEA-ZDUSSCGKSA-N 0 3 373.234 3.056 20 30 FGEDHN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000809903011 725275228 /nfs/dbraw/zinc/27/52/28/725275228.db2.gz WNNKBQMFLZOGSJ-KBPBESRZSA-N 0 3 360.893 3.098 20 30 FGEDHN N#CC(C(=O)COc1cc(F)cc(F)c1)C(=O)Nc1ccccc1Cl ZINC000810529953 725312770 /nfs/dbraw/zinc/31/27/70/725312770.db2.gz RTQDXUTXTJSNAA-CYBMUJFWSA-N 0 3 364.735 3.345 20 30 FGEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000818603185 727316346 /nfs/dbraw/zinc/31/63/46/727316346.db2.gz SMUWIVZRMCLFGM-UHFFFAOYSA-N 0 3 356.491 3.417 20 30 FGEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSC1CC1 ZINC000835063151 729854598 /nfs/dbraw/zinc/85/45/98/729854598.db2.gz HTJUQFCQVJQZDS-LLVKDONJSA-N 0 3 352.843 3.200 20 30 FGEDHN Cc1occc1C=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000841607805 730259768 /nfs/dbraw/zinc/25/97/68/730259768.db2.gz JLYNIKMGOGQSFI-UHFFFAOYSA-N 0 3 356.495 3.051 20 30 FGEDHN S=C(NN=C1CCC[C@@H]2C[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000841607416 730259894 /nfs/dbraw/zinc/25/98/94/730259894.db2.gz DYPUOJJPHNDURR-AEFFLSMTSA-N 0 3 356.539 3.291 20 30 FGEDHN CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C(=O)NCc1cccs1 ZINC000842909437 730555584 /nfs/dbraw/zinc/55/55/84/730555584.db2.gz SJPKPBCMQIMGPR-KDOFPFPSSA-N 0 3 357.479 3.396 20 30 FGEDHN CN1C[C@@H](C(=O)C(C#N)c2nc(C3CC3)cs2)c2ccccc2C1=O ZINC000842942635 730560630 /nfs/dbraw/zinc/56/06/30/730560630.db2.gz CEKWRSFRGDRDCA-LSDHHAIUSA-N 0 3 351.431 3.066 20 30 FGEDHN CC(C)(C)n1ccc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000847624019 731071548 /nfs/dbraw/zinc/07/15/48/731071548.db2.gz JYBJSZDTTGJRBB-LLVKDONJSA-N 0 3 362.792 3.392 20 30 FGEDHN O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848351491 731158311 /nfs/dbraw/zinc/15/83/11/731158311.db2.gz DOTIDZAGFYLWBT-IAGOWNOFSA-N 0 3 350.384 3.190 20 30 FGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc(COC)cs1 ZINC000850759575 731385849 /nfs/dbraw/zinc/38/58/49/731385849.db2.gz QDVPRWQEJCGMIA-ZDUSSCGKSA-N 0 3 358.419 3.254 20 30 FGEDHN C=CCOCCN1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606969 732360165 /nfs/dbraw/zinc/36/01/65/732360165.db2.gz UAHNFEZWZAJZHA-UONOGXRCSA-N 0 3 366.424 3.214 20 30 FGEDHN C=CCCC(C)(C)CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000865679410 733250849 /nfs/dbraw/zinc/25/08/49/733250849.db2.gz RSICJCWIIXYYEA-CQSZACIVSA-N 0 3 373.950 3.287 20 30 FGEDHN N#CC(C(=O)C=CCOC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000870379952 733845827 /nfs/dbraw/zinc/84/58/27/733845827.db2.gz NMPDFXGRYLJINF-BOPNBLERSA-N 0 3 354.328 3.028 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000872249053 735608894 /nfs/dbraw/zinc/60/88/94/735608894.db2.gz ZHDGYPZCDRZIAW-ZDUSSCGKSA-N 0 3 370.396 3.362 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000876590167 736117916 /nfs/dbraw/zinc/11/79/16/736117916.db2.gz ROEOIHVXLMXOQS-IBGZPJMESA-N 0 3 358.869 3.490 20 30 FGEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OCCC)cc1OC(F)F ZINC000876691894 736132204 /nfs/dbraw/zinc/13/22/04/736132204.db2.gz RXNAEJIELILDRR-ZDUSSCGKSA-N 0 3 362.804 3.163 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000876715994 736135577 /nfs/dbraw/zinc/13/55/77/736135577.db2.gz SHDWOFSVPIPGLR-GFCCVEGCSA-N 0 3 350.875 3.305 20 30 FGEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnn(-c2cccc(F)c2)c1CCC ZINC000876901100 736160583 /nfs/dbraw/zinc/16/05/83/736160583.db2.gz ZAHIUVRRHBUSIR-CQSZACIVSA-N 0 3 350.825 3.372 20 30 FGEDHN CCCCCCCCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000881622218 737358801 /nfs/dbraw/zinc/35/88/01/737358801.db2.gz MYEFIUPFWSFNSG-UHFFFAOYSA-N 0 3 351.535 3.069 20 30 FGEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000884047952 737628153 /nfs/dbraw/zinc/62/81/53/737628153.db2.gz SBXRKOHARXALHH-VOZQYIJBSA-N 0 3 357.763 3.437 20 30 FGEDHN Cc1csc(-c2ccc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)cc2)n1 ZINC000884112184 737634319 /nfs/dbraw/zinc/63/43/19/737634319.db2.gz DTZUNZSPMBSORR-HVEKOLDVSA-N 0 3 352.463 3.196 20 30 FGEDHN C#CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)C1CCN(C)CC1 ZINC000886579720 739271990 /nfs/dbraw/zinc/27/19/90/739271990.db2.gz GLOAASAXLOYPEF-UHFFFAOYSA-N 0 3 352.400 3.351 20 30 FGEDHN C=CCC1(O)CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000886757553 739292270 /nfs/dbraw/zinc/29/22/70/739292270.db2.gz KNQQRWXZQKZUJC-ZDUSSCGKSA-N 0 3 360.281 3.136 20 30 FGEDHN CCN(C)Cc1cc(O[C@@H]2CCN(Cc3csc(C#N)c3)C2)ccn1 ZINC000895501619 742420122 /nfs/dbraw/zinc/42/01/22/742420122.db2.gz ZIOWVKZYDUCLRY-GOSISDBHSA-N 0 3 356.495 3.120 20 30 FGEDHN CC(C)(C)OC(=O)NC(C)(C)CCNCc1cc(C#N)cnc1Cl ZINC000895602005 742432382 /nfs/dbraw/zinc/43/23/82/742432382.db2.gz UUQBAYJXGNCTSM-UHFFFAOYSA-N 0 3 352.866 3.390 20 30 FGEDHN C#CCC1([NH2+]Cc2cc(Br)c([O-])c(OCC)c2)CCOCC1 ZINC000895894720 742467201 /nfs/dbraw/zinc/46/72/01/742467201.db2.gz PTNZEOUEMUJPDP-UHFFFAOYSA-N 0 3 368.271 3.216 20 30 FGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C=C(Cl)Cl ZINC000900416023 743110200 /nfs/dbraw/zinc/11/02/00/743110200.db2.gz ABLWJCAFUYTQGA-XBXARRHUSA-N 0 3 352.265 3.324 20 30 FGEDHN C#CCN(C(=O)NCCc1csc2ccccc12)C1CCN(C)CC1 ZINC000914235266 757727322 /nfs/dbraw/zinc/72/73/22/757727322.db2.gz QVKPWLVWQSXMKL-UHFFFAOYSA-N 0 3 355.507 3.183 20 30 FGEDHN COc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000916905442 758152705 /nfs/dbraw/zinc/15/27/05/758152705.db2.gz KQOXXWKIBYLVFC-AWEZNQCLSA-N 0 3 358.781 3.075 20 30 FGEDHN CC(C)c1noc(CCC(=O)C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000916912158 758153631 /nfs/dbraw/zinc/15/36/31/758153631.db2.gz PAEDHDKCVAIWOR-NSHDSACASA-N 0 3 360.801 3.127 20 30 FGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000916944705 758157010 /nfs/dbraw/zinc/15/70/10/758157010.db2.gz LFYUMEZBHCDXFQ-ZDUSSCGKSA-N 0 3 364.188 3.358 20 30 FGEDHN N#CC(C(=O)CCn1cc(Br)cn1)c1ccc2ccccc2n1 ZINC000917423452 758220160 /nfs/dbraw/zinc/22/01/60/758220160.db2.gz YSVNNWYBYARSEK-CQSZACIVSA-N 0 3 369.222 3.460 20 30 FGEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2)cs1 ZINC000922210964 758872371 /nfs/dbraw/zinc/87/23/71/758872371.db2.gz PTCDBFNPABFKMF-IEBWSBKVSA-N 0 3 350.447 3.425 20 30 FGEDHN CC[C@@H](NCc1c(C)cc(C#N)cc1C)c1cccc(S(N)(=O)=O)c1 ZINC000930216590 760555970 /nfs/dbraw/zinc/55/59/70/760555970.db2.gz LHWLEPZNMSZAHR-LJQANCHMSA-N 0 3 357.479 3.063 20 30 FGEDHN N#CC[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(F)(F)F ZINC000932929141 761278088 /nfs/dbraw/zinc/27/80/88/761278088.db2.gz ZHPZMHQXJYZILW-DGCLKSJQSA-N 0 3 360.405 3.029 20 30 FGEDHN OCCCCCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944570 761281586 /nfs/dbraw/zinc/28/15/86/761281586.db2.gz XJIDJJHRADEXDW-IUCAKERBSA-N 0 3 355.269 3.252 20 30 FGEDHN CC(C)(C#N)CCCN[C@@H](CO)c1ccccc1I ZINC000934829735 761731703 /nfs/dbraw/zinc/73/17/03/761731703.db2.gz SMYGEXXEOGGVOB-AWEZNQCLSA-N 0 3 372.250 3.244 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNCc2cccc(F)c2Cl)C1 ZINC000962320796 762759641 /nfs/dbraw/zinc/75/96/41/762759641.db2.gz CMBHWBKMNZSNPW-BDKZHOIZSA-N 0 3 366.864 3.055 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC000997096700 765044857 /nfs/dbraw/zinc/04/48/57/765044857.db2.gz ADJPDGPWQZCCBG-BMFZPTHFSA-N 0 3 362.436 3.137 20 30 FGEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)s1 ZINC001000270007 765214352 /nfs/dbraw/zinc/21/43/52/765214352.db2.gz WIPKIVINYANGRU-IAOVAPTHSA-N 0 3 355.463 3.097 20 30 FGEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001008810302 765706750 /nfs/dbraw/zinc/70/67/50/765706750.db2.gz LQHSMRMNKSMZSL-NEWSRXKRSA-N 0 3 362.539 3.243 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001020167832 765866275 /nfs/dbraw/zinc/86/62/75/765866275.db2.gz HYNSNDGPBVFEMS-KONPQCLYSA-N 0 3 366.864 3.197 20 30 FGEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001022831225 766029722 /nfs/dbraw/zinc/02/97/22/766029722.db2.gz DKMKJZUGHJYQTB-MYZSUADSSA-N 0 3 367.262 3.075 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001028549566 766123607 /nfs/dbraw/zinc/12/36/07/766123607.db2.gz RJCBGGCTWHPBCT-SUMDDJOVSA-N 0 3 362.901 3.259 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001028861659 766140717 /nfs/dbraw/zinc/14/07/17/766140717.db2.gz YQUMFQLPOIYOOW-IEZWGBDMSA-N 0 3 362.901 3.259 20 30 FGEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)CC1 ZINC001040747132 766322121 /nfs/dbraw/zinc/32/21/21/766322121.db2.gz NEMBHZUEBRROCS-HZPDHXFCSA-N 0 3 354.416 3.079 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cc(Cl)ccc1F ZINC001045207827 766517240 /nfs/dbraw/zinc/51/72/40/766517240.db2.gz LMOIKVBWUDLIRZ-JZXOWHBKSA-N 0 3 366.864 3.151 20 30 FGEDHN CN(Cc1ccccn1)[C@H]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000328653423 530005140 /nfs/dbraw/zinc/00/51/40/530005140.db2.gz WVYHBEFSDPJZJX-KRWDZBQOSA-N 0 3 354.479 3.141 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CN1Cc1ccccc1 ZINC000568100893 505616763 /nfs/dbraw/zinc/61/67/63/505616763.db2.gz MKMDAYVTLURRKF-OXJNMPFZSA-N 0 3 362.477 3.017 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000576936543 505628822 /nfs/dbraw/zinc/62/88/22/505628822.db2.gz KHZLQBNXZDHCGP-YSIASYRMSA-N 0 3 356.853 3.291 20 30 FGEDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C12CCCCC2 ZINC000577001549 505642774 /nfs/dbraw/zinc/64/27/74/505642774.db2.gz QPRSMIHRLCDFAV-DLBZAZTESA-N 0 3 359.470 3.424 20 30 FGEDHN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000579978520 505656277 /nfs/dbraw/zinc/65/62/77/505656277.db2.gz ZENAPFBSJYVHFW-LJQANCHMSA-N 0 3 373.545 3.060 20 30 FGEDHN CN(C)CCN(Cc1cn(C)nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000568329010 505667448 /nfs/dbraw/zinc/66/74/48/505667448.db2.gz YGBZTWJRZNYWCF-UHFFFAOYSA-N 0 3 353.514 3.153 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOCc1ccccc1 ZINC000057489936 493767871 /nfs/dbraw/zinc/76/78/71/493767871.db2.gz LOMHQDHVXCVVGP-UHFFFAOYSA-N 0 3 365.477 3.055 20 30 FGEDHN C=CCn1c(SCCN(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000057494191 493768446 /nfs/dbraw/zinc/76/84/46/493768446.db2.gz QYKIQFMYCNWDAF-GFCCVEGCSA-N 0 3 363.552 3.423 20 30 FGEDHN C[C@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000068311357 493795050 /nfs/dbraw/zinc/79/50/50/493795050.db2.gz HTQMXFXVVLPIEW-INIZCTEOSA-N 0 3 369.440 3.055 20 30 FGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000080958590 493800450 /nfs/dbraw/zinc/80/04/50/493800450.db2.gz UHEJWWVPSFLSRO-AWEZNQCLSA-N 0 3 357.845 3.143 20 30 FGEDHN CN(C)Cc1cccc(CNC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000048198055 493800767 /nfs/dbraw/zinc/80/07/67/493800767.db2.gz MMAUNXQNIBPIKS-UHFFFAOYSA-N 0 3 353.491 3.169 20 30 FGEDHN COc1cc(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)ccc1C#N ZINC000568385242 505681622 /nfs/dbraw/zinc/68/16/22/505681622.db2.gz WBYDLMFEGPITAF-FPOVZHCZSA-N 0 3 366.461 3.112 20 30 FGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCSc2ccccc2)cc1 ZINC000568383893 505681905 /nfs/dbraw/zinc/68/19/05/505681905.db2.gz NSNWOPXSJZPXQR-UHFFFAOYSA-N 0 3 360.504 3.104 20 30 FGEDHN N#CC1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000057879136 493811461 /nfs/dbraw/zinc/81/14/61/493811461.db2.gz QWAPTRLHLZLJHK-UHFFFAOYSA-N 0 3 354.223 3.152 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081125189 493837758 /nfs/dbraw/zinc/83/77/58/493837758.db2.gz YROPZSHBEZBXMA-YLJYHZDGSA-N 0 3 363.461 3.058 20 30 FGEDHN CO[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000076345600 493871470 /nfs/dbraw/zinc/87/14/70/493871470.db2.gz JANUEPDQDPWVKV-KGLIPLIRSA-N 0 3 361.511 3.184 20 30 FGEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000050090493 493895951 /nfs/dbraw/zinc/89/59/51/493895951.db2.gz UESSCNIFVLLHNS-UHFFFAOYSA-N 0 3 370.428 3.302 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000030532526 493896309 /nfs/dbraw/zinc/89/63/09/493896309.db2.gz IHRXDKGCYIPXDB-UZLBHIALSA-N 0 3 366.461 3.386 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc4c(c3)OCCO4)C2)c(F)c1 ZINC000068991514 493903621 /nfs/dbraw/zinc/90/36/21/493903621.db2.gz ZGJZCLDIMHINMV-QGZVFWFLSA-N 0 3 367.424 3.227 20 30 FGEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2CN2CCCCC2)cc1Cl ZINC000069078512 493917366 /nfs/dbraw/zinc/91/73/66/493917366.db2.gz MDCGLHLSQWRUSO-KRWDZBQOSA-N 0 3 360.889 3.100 20 30 FGEDHN C[C@H]1CN(CC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000069334105 493958233 /nfs/dbraw/zinc/95/82/33/493958233.db2.gz NJRIYSTXDRXSHR-GJZGRUSLSA-N 0 3 374.460 3.050 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000076802210 493972566 /nfs/dbraw/zinc/97/25/66/493972566.db2.gz WMSDNBOMMCHZSR-GOSISDBHSA-N 0 3 362.477 3.093 20 30 FGEDHN N#Cc1ccc(CN2CCC(Nc3c[nH]nc3-c3nccs3)CC2)cc1 ZINC000577259857 505695955 /nfs/dbraw/zinc/69/59/55/505695955.db2.gz NARRUTAZZNYBNK-UHFFFAOYSA-N 0 3 364.478 3.481 20 30 FGEDHN Cc1ccccc1C(=O)NC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000052748075 494059883 /nfs/dbraw/zinc/05/98/83/494059883.db2.gz DVSMZLNLVPMXNI-UHFFFAOYSA-N 0 3 363.461 3.140 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nccc2ccccc21 ZINC000063505484 494061483 /nfs/dbraw/zinc/06/14/83/494061483.db2.gz JVBUKXNINWZEST-UHFFFAOYSA-N 0 3 358.445 3.310 20 30 FGEDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(C#N)cc1F ZINC000084437927 494072190 /nfs/dbraw/zinc/07/21/90/494072190.db2.gz JQBXELZVCALKKU-UHFFFAOYSA-N 0 3 360.458 3.032 20 30 FGEDHN Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CC[NH+]2CCCC2)cc1 ZINC000077888631 494198196 /nfs/dbraw/zinc/19/81/96/494198196.db2.gz OOBIFUCMBQHBMN-UHFFFAOYSA-N 0 3 369.490 3.306 20 30 FGEDHN N#Cc1ccc(OCCCN2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000054180467 494204311 /nfs/dbraw/zinc/20/43/11/494204311.db2.gz AKFXBJLSNPAYGA-UHFFFAOYSA-N 0 3 370.478 3.134 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000577352477 505710588 /nfs/dbraw/zinc/71/05/88/505710588.db2.gz XXIYEWAOVHLRFW-AFYVEPGGSA-N 0 3 357.498 3.072 20 30 FGEDHN N#Cc1ccc(N2CCC(NCc3cc([N+](=O)[O-])ccc3Cl)CC2)nc1 ZINC000067010984 494455428 /nfs/dbraw/zinc/45/54/28/494455428.db2.gz GGJBHCIYJAGMDO-UHFFFAOYSA-N 0 3 371.828 3.273 20 30 FGEDHN C=C(C)COCCN[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000090451121 494467857 /nfs/dbraw/zinc/46/78/57/494467857.db2.gz UBVKDBVWSSONFF-QGZVFWFLSA-N 0 3 366.527 3.105 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC000074132391 494485667 /nfs/dbraw/zinc/48/56/67/494485667.db2.gz IUIHELSKRKOJFM-UHFFFAOYSA-N 0 3 357.498 3.235 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccnc1N1CCCC1)C(C)C ZINC000046049281 494490060 /nfs/dbraw/zinc/49/00/60/494490060.db2.gz YTUADJNFOAWOIU-IBGZPJMESA-N 0 3 356.514 3.110 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000074289017 494511024 /nfs/dbraw/zinc/51/10/24/494511024.db2.gz QTVWQBHUPWTAJQ-QGZVFWFLSA-N 0 3 364.367 3.449 20 30 FGEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000022850769 494538119 /nfs/dbraw/zinc/53/81/19/494538119.db2.gz IQCMJMNGOYQNLA-UHFFFAOYSA-N 0 3 371.488 3.452 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)CNc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000079945039 494553626 /nfs/dbraw/zinc/55/36/26/494553626.db2.gz ZFOHFZQPWRFBEJ-UTKZUKDTSA-N 0 3 362.477 3.139 20 30 FGEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000074660597 494572160 /nfs/dbraw/zinc/57/21/60/494572160.db2.gz LFGCETTZGRXYMW-LJQANCHMSA-N 0 3 364.578 3.038 20 30 FGEDHN C/C=C/c1ccc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000046835931 494572765 /nfs/dbraw/zinc/57/27/65/494572765.db2.gz IOIFYGCCKJLNQZ-SGSXCFNPSA-N 0 3 366.461 3.472 20 30 FGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccccc1F ZINC000047010956 494616102 /nfs/dbraw/zinc/61/61/02/494616102.db2.gz UTHFJOUCWPHJDM-UHFFFAOYSA-N 0 3 369.440 3.057 20 30 FGEDHN C=CCC[C@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000126096094 494634676 /nfs/dbraw/zinc/63/46/76/494634676.db2.gz FNHFDGJEOJHVJG-FQEVSTJZSA-N 0 3 358.530 3.019 20 30 FGEDHN N#Cc1ccccc1COc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000047140782 494642564 /nfs/dbraw/zinc/64/25/64/494642564.db2.gz VEEZYYLDXYNHNJ-UHFFFAOYSA-N 0 3 363.461 3.353 20 30 FGEDHN Cc1nnc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(C#N)c1C ZINC000057150901 494656712 /nfs/dbraw/zinc/65/67/12/494656712.db2.gz RLMHOKGPYLHSGA-UHFFFAOYSA-N 0 3 362.481 3.241 20 30 FGEDHN COCCOc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792570 494682936 /nfs/dbraw/zinc/68/29/36/494682936.db2.gz UQIQBFYKZSKSER-UHFFFAOYSA-N 0 3 365.477 3.296 20 30 FGEDHN CCCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000121391186 494735968 /nfs/dbraw/zinc/73/59/68/494735968.db2.gz QNCPIQGUBYBSSE-LJQANCHMSA-N 0 3 350.466 3.403 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(C)C ZINC000047633503 494750160 /nfs/dbraw/zinc/75/01/60/494750160.db2.gz JZJYKFBVTFQPCM-PKOBYXMFSA-N 0 3 373.472 3.066 20 30 FGEDHN C=CCNC(=O)c1ccc(NC[C@H](c2ccc(Cl)cc2)N(C)C)nc1 ZINC000080691707 494768691 /nfs/dbraw/zinc/76/86/91/494768691.db2.gz XZHWXQGXKZJPIC-QGZVFWFLSA-N 0 3 358.873 3.366 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1OC ZINC000068135926 494776459 /nfs/dbraw/zinc/77/64/59/494776459.db2.gz RVASNFGTSJELJD-GOSISDBHSA-N 0 3 358.482 3.351 20 30 FGEDHN C=CCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1OC ZINC000068135930 494776695 /nfs/dbraw/zinc/77/66/95/494776695.db2.gz RVASNFGTSJELJD-SFHVURJKSA-N 0 3 358.482 3.351 20 30 FGEDHN N#Cc1cccc(OCCCN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000574313991 505744777 /nfs/dbraw/zinc/74/47/77/505744777.db2.gz UYDITLQBRDGZDR-QFIPXVFZSA-N 0 3 368.452 3.393 20 30 FGEDHN N#Cc1cnc(NCCCN2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000116715506 494842727 /nfs/dbraw/zinc/84/27/27/494842727.db2.gz OIVLNLFKKVWUGI-UHFFFAOYSA-N 0 3 369.900 3.226 20 30 FGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000121781567 494858967 /nfs/dbraw/zinc/85/89/67/494858967.db2.gz CDEPVRXWHGGSCP-CYBMUJFWSA-N 0 3 356.388 3.342 20 30 FGEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1sccc1C#N ZINC000109313002 494859181 /nfs/dbraw/zinc/85/91/81/494859181.db2.gz KZNPIQRCEPELRD-QGZVFWFLSA-N 0 3 354.479 3.141 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(CC)nn(C)c1Cl)C(C)C ZINC000132448630 494876110 /nfs/dbraw/zinc/87/61/10/494876110.db2.gz ILRVKLNSFOZPCH-HNNXBMFYSA-N 0 3 352.910 3.064 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCOC2(CCCC2)C1)C(C)C ZINC000133053626 494961372 /nfs/dbraw/zinc/96/13/72/494961372.db2.gz PGKKDAPPHPYYRY-RBUKOAKNSA-N 0 3 363.546 3.476 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)N(C)C)cc1 ZINC000110610633 494994194 /nfs/dbraw/zinc/99/41/94/494994194.db2.gz ZAWRXDRKNDRHOX-OAQYLSRUSA-N 0 3 365.477 3.113 20 30 FGEDHN COc1cc(CN2CCC[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000118401068 495000233 /nfs/dbraw/zinc/00/02/33/495000233.db2.gz JOCYGGQTDQQDIR-IBGZPJMESA-N 0 3 352.434 3.103 20 30 FGEDHN C=CC1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000111256712 495055240 /nfs/dbraw/zinc/05/52/40/495055240.db2.gz OMODDOCGQWLFIT-LJQANCHMSA-N 0 3 370.493 3.409 20 30 FGEDHN Cc1oc(NC(=O)CNC(C)(C)CN(C)Cc2ccccc2)c(C#N)c1C ZINC000118996272 495067032 /nfs/dbraw/zinc/06/70/32/495067032.db2.gz ZKYRZEBXOMTKBA-UHFFFAOYSA-N 0 3 368.481 3.207 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC000119053558 495081519 /nfs/dbraw/zinc/08/15/19/495081519.db2.gz WCPCJFJGBWJQCU-QGZVFWFLSA-N 0 3 359.514 3.214 20 30 FGEDHN CC[C@@H](CNCc1cnc2ccc(C#N)cn12)N1CCc2ccccc2C1 ZINC000123227190 495099960 /nfs/dbraw/zinc/09/99/60/495099960.db2.gz AKGQZCNSHXKVBT-FQEVSTJZSA-N 0 3 359.477 3.132 20 30 FGEDHN Cc1cc(C#N)ccc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000128542057 495113988 /nfs/dbraw/zinc/11/39/88/495113988.db2.gz NPNBNZXIPSTIHI-ROUUACIJSA-N 0 3 369.509 3.218 20 30 FGEDHN CCN1CCC[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000111836774 495118442 /nfs/dbraw/zinc/11/84/42/495118442.db2.gz GLNPKMIDYOFRIU-XBMUEBEBSA-N 0 3 370.497 3.032 20 30 FGEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(CC#N)cc1 ZINC000577606255 505763067 /nfs/dbraw/zinc/76/30/67/505763067.db2.gz XJQUUKNSFHDVKI-UHFFFAOYSA-N 0 3 364.493 3.462 20 30 FGEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1C ZINC000123770508 495183443 /nfs/dbraw/zinc/18/34/43/495183443.db2.gz FYMUOVKFRKDPEK-RDJZCZTQSA-N 0 3 367.449 3.285 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2-n2ccc(C)n2)CC1 ZINC000119728776 495228101 /nfs/dbraw/zinc/22/81/01/495228101.db2.gz VWCQTUDPAPZCFG-UHFFFAOYSA-N 0 3 367.497 3.020 20 30 FGEDHN CCOCCCNC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135125498 495253376 /nfs/dbraw/zinc/25/33/76/495253376.db2.gz GHMOMTGCHRUSNW-UHFFFAOYSA-N 0 3 371.525 3.243 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCCN(c2ncccc2C#N)CC1 ZINC000135141457 495256099 /nfs/dbraw/zinc/25/60/99/495256099.db2.gz QOSWZOAFAQBVGG-UHFFFAOYSA-N 0 3 359.477 3.467 20 30 FGEDHN COc1ccccc1NC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000129587120 495266645 /nfs/dbraw/zinc/26/66/45/495266645.db2.gz HOVABNJRAUYQFB-HXUWFJFHSA-N 0 3 351.450 3.177 20 30 FGEDHN N#Cc1cccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1Br ZINC000571611544 505772131 /nfs/dbraw/zinc/77/21/31/505772131.db2.gz COKSXHHQCMOBGM-CYBMUJFWSA-N 0 3 362.271 3.067 20 30 FGEDHN CC#CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135990782 495348305 /nfs/dbraw/zinc/34/83/05/495348305.db2.gz MJBHKBOQEWVKLW-DOTOQJQBSA-N 0 3 367.415 3.411 20 30 FGEDHN N#Cc1ccc(OC2CN(C(=O)c3cccc(CN4CCCC4)c3)C2)cc1 ZINC000130317484 495372387 /nfs/dbraw/zinc/37/23/87/495372387.db2.gz QWXDMZMIJKTWFH-UHFFFAOYSA-N 0 3 361.445 3.057 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000106036550 495406189 /nfs/dbraw/zinc/40/61/89/495406189.db2.gz YZANQDNXDZGSCR-KXBFYZLASA-N 0 3 355.482 3.051 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000106036620 495406241 /nfs/dbraw/zinc/40/62/41/495406241.db2.gz VVQMZKRDDIBEMU-UHFFFAOYSA-N 0 3 359.495 3.411 20 30 FGEDHN C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)N(C)C1CC1 ZINC000114686185 495408837 /nfs/dbraw/zinc/40/88/37/495408837.db2.gz LYMOICJWSKKSOL-MRXNPFEDSA-N 0 3 363.461 3.350 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000106258484 495440023 /nfs/dbraw/zinc/44/00/23/495440023.db2.gz VFQXUFLJPBSWRG-OAHLLOKOSA-N 0 3 358.486 3.046 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)ccc2OCCOC)CC1 ZINC000106325131 495444927 /nfs/dbraw/zinc/44/49/27/495444927.db2.gz DFUOTWWDLJQILA-UHFFFAOYSA-N 0 3 365.449 3.013 20 30 FGEDHN C=CCn1c(SCCCN2CCN(C)CC2)nnc1-c1ccc(C)cc1 ZINC000131039022 495484374 /nfs/dbraw/zinc/48/43/74/495484374.db2.gz JGXDWHSRSUSNAY-UHFFFAOYSA-N 0 3 371.554 3.169 20 30 FGEDHN CN(CCC#N)C(=O)CCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000131168135 495501408 /nfs/dbraw/zinc/50/14/08/495501408.db2.gz IVOSGNAAPGJWMJ-UHFFFAOYSA-N 0 3 353.388 3.432 20 30 FGEDHN COc1ccc(CCCN(C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000125895352 495514833 /nfs/dbraw/zinc/51/48/33/495514833.db2.gz POSPYNVQZQLKLK-QGZVFWFLSA-N 0 3 357.498 3.291 20 30 FGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000176337937 495607105 /nfs/dbraw/zinc/60/71/05/495607105.db2.gz BUQXZXDRCQPFQB-ZWKOTPCHSA-N 0 3 351.535 3.262 20 30 FGEDHN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1cc(C(F)(F)F)ccn1 ZINC000571703155 505794001 /nfs/dbraw/zinc/79/40/01/505794001.db2.gz OFNXFLDNKDKTFQ-ZDUSSCGKSA-N 0 3 374.322 3.334 20 30 FGEDHN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185593980 495636450 /nfs/dbraw/zinc/63/64/50/495636450.db2.gz JHUOPIMNIXBWDB-LRDDRELGSA-N 0 3 355.825 3.304 20 30 FGEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@@H](OCCO)C3)c2)c1 ZINC000179578368 495648816 /nfs/dbraw/zinc/64/88/16/495648816.db2.gz VJQVFYGYSBTMHN-JOCHJYFZSA-N 0 3 366.461 3.111 20 30 FGEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2(C#N)CC2)CC1 ZINC000574533218 505794837 /nfs/dbraw/zinc/79/48/37/505794837.db2.gz GZJQSPPJVVWDFJ-UHFFFAOYSA-N 0 3 362.861 3.238 20 30 FGEDHN C[C@@H]1CCc2ccccc2[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000568873187 505797555 /nfs/dbraw/zinc/79/75/55/505797555.db2.gz MXEWBVUVUWXBIO-FOIQADDNSA-N 0 3 354.475 3.245 20 30 FGEDHN CN(C)CCOc1ccc(CCNC(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000571725105 505799265 /nfs/dbraw/zinc/79/92/65/505799265.db2.gz UIHKKOSBNLDMLG-UHFFFAOYSA-N 0 3 370.428 3.002 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000179777561 495730963 /nfs/dbraw/zinc/73/09/63/495730963.db2.gz CVMFWJLAURMSGF-AEFFLSMTSA-N 0 3 361.449 3.400 20 30 FGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)C1CCOCC1 ZINC000179845663 495756413 /nfs/dbraw/zinc/75/64/13/495756413.db2.gz GISFXCUJASBHPE-GJZGRUSLSA-N 0 3 361.511 3.424 20 30 FGEDHN CCCNC(=O)C1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000179923090 495784207 /nfs/dbraw/zinc/78/42/07/495784207.db2.gz XYQYXMUCMHMMKF-UHFFFAOYSA-N 0 3 373.497 3.116 20 30 FGEDHN COc1ccc(NC(=O)C[C@@H](C)NCc2cccc(C#N)c2)c(OC)c1 ZINC000151370991 495817490 /nfs/dbraw/zinc/81/74/90/495817490.db2.gz ANGTZOYIZKCJES-CQSZACIVSA-N 0 3 353.422 3.082 20 30 FGEDHN COc1ccc(OCCNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180037293 495832562 /nfs/dbraw/zinc/83/25/62/495832562.db2.gz NIURBLRUNDOQSF-UHFFFAOYSA-N 0 3 362.433 3.136 20 30 FGEDHN Cc1cccc(N2CCN(CCCNCc3ccc(C#N)s3)CC2)c1 ZINC000176945032 495852185 /nfs/dbraw/zinc/85/21/85/495852185.db2.gz VFPCILXARDRTNZ-UHFFFAOYSA-N 0 3 354.523 3.230 20 30 FGEDHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1-n1cccn1 ZINC000183156931 495859917 /nfs/dbraw/zinc/85/99/17/495859917.db2.gz YHCXENSTQLWHTR-GOSISDBHSA-N 0 3 373.460 3.470 20 30 FGEDHN CC(C)(CCC#N)CNCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000174260882 495885963 /nfs/dbraw/zinc/88/59/63/495885963.db2.gz FAKDHHGMFITUJB-UHFFFAOYSA-N 0 3 363.527 3.281 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000171606984 495946149 /nfs/dbraw/zinc/94/61/49/495946149.db2.gz BYFKCQXNCHMSBE-UHFFFAOYSA-N 0 3 352.482 3.273 20 30 FGEDHN N#Cc1ccc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)nc1 ZINC000155445732 495959024 /nfs/dbraw/zinc/95/90/24/495959024.db2.gz ZYSVQICIMYHUOB-UHFFFAOYSA-N 0 3 350.422 3.070 20 30 FGEDHN N#Cc1ccc(F)c(CNC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000174486122 495979964 /nfs/dbraw/zinc/97/99/64/495979964.db2.gz NQUZKZMFSQVFPA-UHFFFAOYSA-N 0 3 366.440 3.161 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)CC1 ZINC000171696813 495993152 /nfs/dbraw/zinc/99/31/52/495993152.db2.gz JTZKHNFFOZCPGU-SFHVURJKSA-N 0 3 355.486 3.210 20 30 FGEDHN C[C@@](O)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccco1 ZINC000174526329 495995139 /nfs/dbraw/zinc/99/51/39/495995139.db2.gz MITQPWCUSMBNOD-HXUWFJFHSA-N 0 3 350.422 3.054 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000171712222 496000675 /nfs/dbraw/zinc/00/06/75/496000675.db2.gz ZIUVCYMMJYTDJG-CYBMUJFWSA-N 0 3 353.413 3.299 20 30 FGEDHN C=CCSCCN[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000180456858 496003440 /nfs/dbraw/zinc/00/34/40/496003440.db2.gz HLAWOQYGMJRUHA-INIZCTEOSA-N 0 3 368.568 3.431 20 30 FGEDHN C=CCN1CCC(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000171723561 496008476 /nfs/dbraw/zinc/00/84/76/496008476.db2.gz WFILKQSBLNTERV-UHFFFAOYSA-N 0 3 356.445 3.008 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000580703651 505818792 /nfs/dbraw/zinc/81/87/92/505818792.db2.gz HHTHVMUASJSGOG-AZUAARDMSA-N 0 3 352.482 3.252 20 30 FGEDHN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-n2cccn2)c1 ZINC000183580630 496038160 /nfs/dbraw/zinc/03/81/60/496038160.db2.gz VLRUNTOMQWMYDJ-QGZVFWFLSA-N 0 3 365.481 3.208 20 30 FGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(-n2cccn2)cc1 ZINC000180824945 496160042 /nfs/dbraw/zinc/16/00/42/496160042.db2.gz KHVXQFUGQLRMDZ-CQSZACIVSA-N 0 3 365.462 3.485 20 30 FGEDHN C=CCOc1ccccc1CN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000161513975 496189803 /nfs/dbraw/zinc/18/98/03/496189803.db2.gz PEEIOMYYLXFSHU-HNNXBMFYSA-N 0 3 360.479 3.474 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000156304604 496210596 /nfs/dbraw/zinc/21/05/96/496210596.db2.gz NMPQVURCJTZNRX-LEWJYISDSA-N 0 3 354.425 3.176 20 30 FGEDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000184076866 496228242 /nfs/dbraw/zinc/22/82/42/496228242.db2.gz UOYWPJPMRHSKBV-UHFFFAOYSA-N 0 3 371.529 3.025 20 30 FGEDHN N#Cc1ccc(C2(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000186990587 496243059 /nfs/dbraw/zinc/24/30/59/496243059.db2.gz SJXCZCDOYUKTDI-UHFFFAOYSA-N 0 3 359.473 3.371 20 30 FGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1ccccn1 ZINC000152745453 496244009 /nfs/dbraw/zinc/24/40/09/496244009.db2.gz KRGMJEGREOUCMW-UHFFFAOYSA-N 0 3 368.506 3.397 20 30 FGEDHN C=CCCO[C@H](C)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000153012987 496326166 /nfs/dbraw/zinc/32/61/66/496326166.db2.gz ZSHAKHNLBTXHLU-MJGOQNOKSA-N 0 3 368.481 3.250 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C)CC1 ZINC000156868375 496351671 /nfs/dbraw/zinc/35/16/71/496351671.db2.gz SNUUQRYGINJTMY-UHFFFAOYSA-N 0 3 353.470 3.343 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCC[C@@]2(C)CO)c1C#N ZINC000578003711 505839509 /nfs/dbraw/zinc/83/95/09/505839509.db2.gz HEXNGRULHVGUNJ-NQIIRXRSSA-N 0 3 372.513 3.171 20 30 FGEDHN CN(C)[C@@H](CNC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181398990 496378781 /nfs/dbraw/zinc/37/87/81/496378781.db2.gz BVAOBZMMWJIYSD-FQEVSTJZSA-N 0 3 352.482 3.008 20 30 FGEDHN C=CCC[C@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153280198 496406838 /nfs/dbraw/zinc/40/68/38/496406838.db2.gz NXDYSHXMDRNBGC-INIZCTEOSA-N 0 3 357.325 3.481 20 30 FGEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000574728663 505842038 /nfs/dbraw/zinc/84/20/38/505842038.db2.gz KSGYIVCHRYKTSG-UXHICEINSA-N 0 3 357.498 3.205 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccccc3)C[C@@H]2CC)CC1 ZINC000184499152 496413059 /nfs/dbraw/zinc/41/30/59/496413059.db2.gz QAEDFXJECCCUHY-FQEVSTJZSA-N 0 3 370.541 3.337 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H](C)c2cccc(O)c2)c(OC)c1 ZINC000181498130 496421274 /nfs/dbraw/zinc/42/12/74/496421274.db2.gz WXAOMQWSUXJLNH-BEFAXECRSA-N 0 3 357.450 3.220 20 30 FGEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187460751 496451128 /nfs/dbraw/zinc/45/11/28/496451128.db2.gz DUVYMVOUTOTPQV-SFGWALBWSA-N 0 3 361.493 3.369 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000187492243 496463949 /nfs/dbraw/zinc/46/39/49/496463949.db2.gz RKGAQZSPXIXPNQ-NRFANRHFSA-N 0 3 362.477 3.268 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NC[C@@H](C#N)CCC#N)CC1 ZINC000181628967 496476242 /nfs/dbraw/zinc/47/62/42/496476242.db2.gz UUGWDSATFVPAPQ-DLBZAZTESA-N 0 3 357.477 3.062 20 30 FGEDHN CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000153567060 496500289 /nfs/dbraw/zinc/50/02/89/496500289.db2.gz HFCCXZBZXKLQQH-KRWDZBQOSA-N 0 3 374.868 3.482 20 30 FGEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000187752615 496557993 /nfs/dbraw/zinc/55/79/93/496557993.db2.gz SZAZUDWEKJMMCR-DENIHFKCSA-N 0 3 370.541 3.045 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000178778932 496568151 /nfs/dbraw/zinc/56/81/51/496568151.db2.gz QMUJUYXDKWRYKN-PXNSSMCTSA-N 0 3 357.498 3.104 20 30 FGEDHN C[C@@H]1C[C@H](NC(=O)CNc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000164395456 496609760 /nfs/dbraw/zinc/60/97/60/496609760.db2.gz LWHQKKNHBXOGDO-DYESRHJHSA-N 0 3 362.477 3.139 20 30 FGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000173273312 496621423 /nfs/dbraw/zinc/62/14/23/496621423.db2.gz NTGWMKONSYFSAQ-UHFFFAOYSA-N 0 3 370.280 3.007 20 30 FGEDHN COc1cc(OC)cc(OCCN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182020365 496638174 /nfs/dbraw/zinc/63/81/74/496638174.db2.gz OEIDFUUOTUQWOC-HNNXBMFYSA-N 0 3 356.422 3.336 20 30 FGEDHN COc1cc(CNC2CC(C#N)(c3ccccc3)C2)cc(OC)c1OC ZINC000158450624 496705126 /nfs/dbraw/zinc/70/51/26/496705126.db2.gz QBIIJSQAMZCEOX-UHFFFAOYSA-N 0 3 352.434 3.426 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176154014 496706790 /nfs/dbraw/zinc/70/67/90/496706790.db2.gz FOXJIUFRXOIFOM-HNNXBMFYSA-N 0 3 360.458 3.304 20 30 FGEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000191456229 496768939 /nfs/dbraw/zinc/76/89/39/496768939.db2.gz ZWZUFMONAUYXGC-KKSFZXQISA-N 0 3 353.466 3.312 20 30 FGEDHN COC[C@H](Cc1ccccc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000191479981 496776770 /nfs/dbraw/zinc/77/67/70/496776770.db2.gz TXBMTOSFIGHHNU-KRWDZBQOSA-N 0 3 357.479 3.138 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000188740294 496893066 /nfs/dbraw/zinc/89/30/66/496893066.db2.gz RZXAPEQTZXELMU-GOSISDBHSA-N 0 3 354.560 3.083 20 30 FGEDHN COc1cnccc1[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000188784844 496908092 /nfs/dbraw/zinc/90/80/92/496908092.db2.gz QHLYHEHHUHPNSY-INIZCTEOSA-N 0 3 350.466 3.277 20 30 FGEDHN CSc1nnc(CCCNCc2ccc(C#N)cc2F)n1CC(C)C ZINC000269397731 496937786 /nfs/dbraw/zinc/93/77/86/496937786.db2.gz FJLMSRVEQYYAHR-UHFFFAOYSA-N 0 3 361.490 3.389 20 30 FGEDHN C=CCC1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCC1 ZINC000188894106 496939521 /nfs/dbraw/zinc/93/95/21/496939521.db2.gz YUPGYCCGTHQMAW-UHFFFAOYSA-N 0 3 355.482 3.069 20 30 FGEDHN C[C@H]1CN(CCC2CCN(Cc3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 ZINC000192061253 496980970 /nfs/dbraw/zinc/98/09/70/496980970.db2.gz LAKPKXIHIOXJPX-IRXDYDNUSA-N 0 3 359.489 3.409 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)c2cccc(F)c2C#N)CC1 ZINC000189022257 496981185 /nfs/dbraw/zinc/98/11/85/496981185.db2.gz CVRNLEBKCOTPEK-UHFFFAOYSA-N 0 3 351.425 3.400 20 30 FGEDHN CN1CCN(C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc2)CC1 ZINC000580982228 505882678 /nfs/dbraw/zinc/88/26/78/505882678.db2.gz SKKAUBMLJWALDC-DHIUTWEWSA-N 0 3 360.505 3.124 20 30 FGEDHN COc1ccc(CNCC2(C(=O)N(C)C)CCCC2)cc1OCCCC#N ZINC000264963843 497020707 /nfs/dbraw/zinc/02/07/07/497020707.db2.gz PAVJWSRPWFXLNF-UHFFFAOYSA-N 0 3 373.497 3.116 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000274126090 497021668 /nfs/dbraw/zinc/02/16/68/497021668.db2.gz GSQLQORYJCFXHH-JXFKEZNVSA-N 0 3 364.449 3.231 20 30 FGEDHN C=CCC[C@H](NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1)c1ccccc1 ZINC000580971776 505879975 /nfs/dbraw/zinc/87/99/75/505879975.db2.gz JEPWIKDHEIMYTR-BJLQDIEVSA-N 0 3 371.525 3.047 20 30 FGEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000269980811 497036323 /nfs/dbraw/zinc/03/63/23/497036323.db2.gz RADYECXWUMXHQM-FFGOWVMKSA-N 0 3 367.493 3.259 20 30 FGEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000278419252 497107570 /nfs/dbraw/zinc/10/75/70/497107570.db2.gz REIQCNRKUSVERM-DOTOQJQBSA-N 0 3 355.404 3.172 20 30 FGEDHN Cc1nnc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)c(C#N)c1C ZINC000278520106 497141724 /nfs/dbraw/zinc/14/17/24/497141724.db2.gz GJXSHSAFRMDVIB-SFHVURJKSA-N 0 3 368.506 3.348 20 30 FGEDHN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2cnn(C)c2)c1 ZINC000574953413 505890279 /nfs/dbraw/zinc/89/02/79/505890279.db2.gz OGKMZYIYYFXBAV-HXUWFJFHSA-N 0 3 373.460 3.316 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000278711444 497197477 /nfs/dbraw/zinc/19/74/77/497197477.db2.gz PWFLONITRBBQGX-NHCUHLMSSA-N 0 3 354.494 3.017 20 30 FGEDHN COc1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1OCCCC#N ZINC000270949021 497231859 /nfs/dbraw/zinc/23/18/59/497231859.db2.gz ANVXTJVAUYEPSA-IBGZPJMESA-N 0 3 372.440 3.210 20 30 FGEDHN CC(C)(C)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1O ZINC000278833646 497237192 /nfs/dbraw/zinc/23/71/92/497237192.db2.gz ACSXWRVNYVBDOS-MOPGFXCFSA-N 0 3 367.497 3.088 20 30 FGEDHN CCN1CC[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C)C1 ZINC000278940452 497275041 /nfs/dbraw/zinc/27/50/41/497275041.db2.gz CXDVFYICJVMOOI-KDOFPFPSSA-N 0 3 352.438 3.016 20 30 FGEDHN C#CCOc1ccccc1CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000271176305 497280731 /nfs/dbraw/zinc/28/07/31/497280731.db2.gz NLVDWIHUJHKCNM-UHFFFAOYSA-N 0 3 364.445 3.255 20 30 FGEDHN CCn1nc(C)c(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000271184287 497284235 /nfs/dbraw/zinc/28/42/35/497284235.db2.gz PYBUBGMTHLRXRM-UHFFFAOYSA-N 0 3 365.481 3.242 20 30 FGEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000569301864 505900803 /nfs/dbraw/zinc/90/08/03/505900803.db2.gz MRDMAOGHDMZKDG-HBMCJLEFSA-N 0 3 366.509 3.485 20 30 FGEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC000193335820 497354145 /nfs/dbraw/zinc/35/41/45/497354145.db2.gz SEWKBWBLYPWCDZ-NXHRZFHOSA-N 0 3 371.481 3.276 20 30 FGEDHN C#CCOc1ccccc1CN[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000271481683 497359461 /nfs/dbraw/zinc/35/94/61/497359461.db2.gz NOPUEVZHHZBZQJ-MRXNPFEDSA-N 0 3 372.490 3.311 20 30 FGEDHN C=CCOc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2CC)cc1OC ZINC000275563305 497365701 /nfs/dbraw/zinc/36/57/01/497365701.db2.gz NZJZSEDRVITJQK-LPHOPBHVSA-N 0 3 357.454 3.096 20 30 FGEDHN CC[C@@]1(CO)CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000190226151 497406250 /nfs/dbraw/zinc/40/62/50/497406250.db2.gz JUXHHFGIMFWEOD-OAQYLSRUSA-N 0 3 352.482 3.448 20 30 FGEDHN COC1(C)CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000271676024 497416470 /nfs/dbraw/zinc/41/64/70/497416470.db2.gz BUGJBSKRYSCXEV-UHFFFAOYSA-N 0 3 361.511 3.328 20 30 FGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1COc2ccccc21 ZINC000245533211 497442809 /nfs/dbraw/zinc/44/28/09/497442809.db2.gz VDFXQHXJTFDWTR-BEVDRBHNSA-N 0 3 361.445 3.208 20 30 FGEDHN CCOC[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279478097 497450078 /nfs/dbraw/zinc/45/00/78/497450078.db2.gz WLCHKKAOVSNNSM-QGZVFWFLSA-N 0 3 353.470 3.107 20 30 FGEDHN C#CCCCC(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000190430230 497477243 /nfs/dbraw/zinc/47/72/43/497477243.db2.gz FSIQFJZXKXPDKB-IBGZPJMESA-N 0 3 350.466 3.381 20 30 FGEDHN CC(C)CO[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000190610926 497545636 /nfs/dbraw/zinc/54/56/36/497545636.db2.gz NPWZZCPSXAGONV-HSALFYBXSA-N 0 3 369.509 3.088 20 30 FGEDHN CCCCO[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1(C)C ZINC000190617968 497548980 /nfs/dbraw/zinc/54/89/80/497548980.db2.gz DQHJXTJRXHVXAX-HSALFYBXSA-N 0 3 369.509 3.233 20 30 FGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000245930375 497576792 /nfs/dbraw/zinc/57/67/92/497576792.db2.gz ZXTKDSQNBJLOMF-SYYKKAFVSA-N 0 3 366.461 3.055 20 30 FGEDHN C=CCOc1ccc(CNC2(CC(=O)OC)CCOCC2)cc1Cl ZINC000267662068 497596315 /nfs/dbraw/zinc/59/63/15/497596315.db2.gz NGGAYFLPUZMPKX-UHFFFAOYSA-N 0 3 353.846 3.107 20 30 FGEDHN Cc1ccccc1CN1CCC(NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000272448741 497631881 /nfs/dbraw/zinc/63/18/81/497631881.db2.gz SFJPKIWEKPDIRF-UHFFFAOYSA-N 0 3 354.498 3.295 20 30 FGEDHN Cc1ccc(OC(F)F)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280057456 497634669 /nfs/dbraw/zinc/63/46/69/497634669.db2.gz MKIAFYRZSMOWCT-INIZCTEOSA-N 0 3 369.371 3.467 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000280107542 497651706 /nfs/dbraw/zinc/65/17/06/497651706.db2.gz PKCHBGAXDLBMLY-OALUTQOASA-N 0 3 351.450 3.239 20 30 FGEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc(C#N)n(C)c2)CC1 ZINC000190959117 497661442 /nfs/dbraw/zinc/66/14/42/497661442.db2.gz JCSZYKDBYKBPMN-MRXNPFEDSA-N 0 3 369.488 3.029 20 30 FGEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194455259 497673428 /nfs/dbraw/zinc/67/34/28/497673428.db2.gz VYOPJPBPIDOMEF-OAQYLSRUSA-N 0 3 362.477 3.222 20 30 FGEDHN CCOCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280242036 497692740 /nfs/dbraw/zinc/69/27/40/497692740.db2.gz WTWXHBHQTLMFCK-IBGZPJMESA-N 0 3 353.466 3.344 20 30 FGEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000280285127 497707900 /nfs/dbraw/zinc/70/79/00/497707900.db2.gz DWWXLFUVZRNDOJ-WMLDXEAASA-N 0 3 367.836 3.478 20 30 FGEDHN CC[C@@H](C)Oc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)ccn1 ZINC000280361591 497730753 /nfs/dbraw/zinc/73/07/53/497730753.db2.gz RTZAZJJVVHRZKO-BEFAXECRSA-N 0 3 362.433 3.129 20 30 FGEDHN N#CCCn1cc(CN2CCC(CCCO)CC2)c(-c2ccccc2)n1 ZINC000272915210 497760676 /nfs/dbraw/zinc/76/06/76/497760676.db2.gz IOQYJDSRLDSZCK-UHFFFAOYSA-N 0 3 352.482 3.448 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2OCC2CC2)cc1 ZINC000280548314 497786716 /nfs/dbraw/zinc/78/67/16/497786716.db2.gz UCXUDEBIWVLZSC-FQEVSTJZSA-N 0 3 359.429 3.346 20 30 FGEDHN CO[C@@]1(C)CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000280598501 497821787 /nfs/dbraw/zinc/82/17/87/497821787.db2.gz UXRLWJVKULAFPX-UZLBHIALSA-N 0 3 361.461 3.352 20 30 FGEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000280618124 497827768 /nfs/dbraw/zinc/82/77/68/497827768.db2.gz YCGLBKUCCHXKPS-UNMCSNQZSA-N 0 3 372.472 3.368 20 30 FGEDHN CC(C)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)Nc1ccccc1 ZINC000280646731 497840766 /nfs/dbraw/zinc/84/07/66/497840766.db2.gz SCQKDQZRQKQAFD-CTNGQTDRSA-N 0 3 360.461 3.493 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280690299 497858706 /nfs/dbraw/zinc/85/87/06/497858706.db2.gz RDBOOAOKPKDHPV-UHFFFAOYSA-N 0 3 369.824 3.087 20 30 FGEDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2ccccc2C#N)c1 ZINC000299703458 497900673 /nfs/dbraw/zinc/90/06/73/497900673.db2.gz PGONQQKRGCMYJU-AWEZNQCLSA-N 0 3 353.422 3.255 20 30 FGEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000280800365 497902958 /nfs/dbraw/zinc/90/29/58/497902958.db2.gz RTOIJFRJZVAACW-UHFFFAOYSA-N 0 3 355.463 3.303 20 30 FGEDHN C#CCOc1ccccc1NC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000364334304 497904971 /nfs/dbraw/zinc/90/49/71/497904971.db2.gz FGEVUOSQUVWJKV-UHFFFAOYSA-N 0 3 364.449 3.226 20 30 FGEDHN C[C@@H]1C[C@@H](NC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CCN1C ZINC000329799872 497905648 /nfs/dbraw/zinc/90/56/48/497905648.db2.gz HXPHAJDFXGLKPO-WBVHZDCISA-N 0 3 373.497 3.213 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000280842030 497919017 /nfs/dbraw/zinc/91/90/17/497919017.db2.gz PEFXZGVIZHNZMI-YADHBBJMSA-N 0 3 372.472 3.021 20 30 FGEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C#N)c1C ZINC000296095631 497919965 /nfs/dbraw/zinc/91/99/65/497919965.db2.gz UGPTUZUXPJZRAD-LBRJOISOSA-N 0 3 357.454 3.032 20 30 FGEDHN COc1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1C#N ZINC000288956171 497958665 /nfs/dbraw/zinc/95/86/65/497958665.db2.gz XWXCZWRSQGBVBY-OAQYLSRUSA-N 0 3 354.425 3.133 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000329949497 497964865 /nfs/dbraw/zinc/96/48/65/497964865.db2.gz BSOBQIWLJKDVLW-RQSWOZRGSA-N 0 3 371.525 3.358 20 30 FGEDHN Cc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)[N-]C2CCC2)cc1 ZINC000292381426 497994340 /nfs/dbraw/zinc/99/43/40/497994340.db2.gz UMLVSHBBXYRZON-UHFFFAOYSA-O 0 3 370.454 3.272 20 30 FGEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364556079 498022738 /nfs/dbraw/zinc/02/27/38/498022738.db2.gz VLBXIZYGADANTA-PXNSSMCTSA-N 0 3 351.450 3.069 20 30 FGEDHN C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000296400498 498028687 /nfs/dbraw/zinc/02/86/87/498028687.db2.gz IUGZJAYWLPKPSK-ZULIPRJHSA-N 0 3 354.498 3.421 20 30 FGEDHN N#CC1(CCC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCOCC1 ZINC000281153517 498036305 /nfs/dbraw/zinc/03/63/05/498036305.db2.gz BMDICKZMAWFGSQ-IBGZPJMESA-N 0 3 358.482 3.474 20 30 FGEDHN N#CC1(CCC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCOCC1 ZINC000281153517 498036313 /nfs/dbraw/zinc/03/63/13/498036313.db2.gz BMDICKZMAWFGSQ-IBGZPJMESA-N 0 3 358.482 3.474 20 30 FGEDHN CN(C)CCOc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000285265449 498038154 /nfs/dbraw/zinc/03/81/54/498038154.db2.gz JFTPEHFVTJHIJA-UHFFFAOYSA-N 0 3 357.841 3.082 20 30 FGEDHN CN1CCC[C@H](CNC(=O)N[C@@H]2CCCc3c[nH]nc32)[C@@H]1c1cccs1 ZINC000330150862 498040365 /nfs/dbraw/zinc/04/03/65/498040365.db2.gz VYFUEEJNUBTHKS-IIDMSEBBSA-N 0 3 373.526 3.435 20 30 FGEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1C ZINC000296443125 498044485 /nfs/dbraw/zinc/04/44/85/498044485.db2.gz WRFQLTBKGJQNJI-DUXKGJEZSA-N 0 3 367.493 3.097 20 30 FGEDHN CC(C(=O)NCc1ccc(C2CCC2)cc1)S(=O)(=O)C1CCOCC1 ZINC000330208829 498061703 /nfs/dbraw/zinc/06/17/03/498061703.db2.gz BIJXNISXYMTRJA-AWEZNQCLSA-N 0 3 365.495 3.393 20 30 FGEDHN Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000330216493 498065229 /nfs/dbraw/zinc/06/52/29/498065229.db2.gz HVOOOXIPRRMEEJ-INIZCTEOSA-N 0 3 359.861 3.312 20 30 FGEDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1OCCCC#N ZINC000285389845 498070265 /nfs/dbraw/zinc/07/02/65/498070265.db2.gz DGBFPVZPSSNPAN-OXQOHEQNSA-N 0 3 373.497 3.161 20 30 FGEDHN CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000285454945 498090587 /nfs/dbraw/zinc/09/05/87/498090587.db2.gz MOXDWOLVQXEMQB-HKUYNNGSSA-N 0 3 370.449 3.056 20 30 FGEDHN C=C(C)C[NH+]1CCC(Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301396059 498090814 /nfs/dbraw/zinc/09/08/14/498090814.db2.gz MJWHHUPFCRVYDD-UHFFFAOYSA-N 0 3 353.470 3.313 20 30 FGEDHN CN1CCC[C@@]2(CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)C1 ZINC000296643131 498133625 /nfs/dbraw/zinc/13/36/25/498133625.db2.gz ZYNRJMPIDAQYML-GOSISDBHSA-N 0 3 364.396 3.109 20 30 FGEDHN CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000330473378 498138237 /nfs/dbraw/zinc/13/82/37/498138237.db2.gz BNBOBVCBLLKMKC-NRFANRHFSA-N 0 3 356.514 3.275 20 30 FGEDHN CC(C)Cn1ncc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1C(F)F ZINC000330502458 498142843 /nfs/dbraw/zinc/14/28/43/498142843.db2.gz WWUMXSMDRJRHRO-QWHCGFSZSA-N 0 3 357.449 3.437 20 30 FGEDHN CCN1CCN([C@@H](C)CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301533161 498151066 /nfs/dbraw/zinc/15/10/66/498151066.db2.gz QBNKIZLMIQOBNM-AWEZNQCLSA-N 0 3 357.889 3.198 20 30 FGEDHN CC[C@@H](C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 ZINC000581435381 505988288 /nfs/dbraw/zinc/98/82/88/505988288.db2.gz QIGQRCJENNZACX-OAHLLOKOSA-N 0 3 350.470 3.072 20 30 FGEDHN COC(=O)c1cc(OC)ccc1NC(=O)C(C#N)CCc1ccccc1 ZINC000581436298 505988335 /nfs/dbraw/zinc/98/83/35/505988335.db2.gz YASYSPRTWWICDW-HNNXBMFYSA-N 0 3 352.390 3.193 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000281492421 498170021 /nfs/dbraw/zinc/17/00/21/498170021.db2.gz HTEYVNNXNZCPCX-PZJWPPBQSA-N 0 3 358.445 3.344 20 30 FGEDHN COc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c(Br)c1 ZINC000330777415 498191915 /nfs/dbraw/zinc/19/19/15/498191915.db2.gz ADJRLNGBTHCDIB-NSHDSACASA-N 0 3 368.275 3.434 20 30 FGEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000575742498 505995126 /nfs/dbraw/zinc/99/51/26/505995126.db2.gz HPMWAULHZQGEIN-DJKXOVBDSA-N 0 3 374.868 3.317 20 30 FGEDHN CN(C)CCN(Cc1ccc(Br)cc1)c1ncccc1C#N ZINC000301645591 498203379 /nfs/dbraw/zinc/20/33/79/498203379.db2.gz NRBQSYABFYOJOW-UHFFFAOYSA-N 0 3 359.271 3.284 20 30 FGEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000578691975 505998555 /nfs/dbraw/zinc/99/85/55/505998555.db2.gz ULWYFRPLKLYMEH-XCLNPWKQSA-N 0 3 355.482 3.148 20 30 FGEDHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]1CN(C)C ZINC000330927337 498219741 /nfs/dbraw/zinc/21/97/41/498219741.db2.gz JYZRPMLIMZMHFS-RYUDHWBXSA-N 0 3 372.296 3.239 20 30 FGEDHN CC(C)N(CCN1CCCCCC1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000581495428 506001519 /nfs/dbraw/zinc/00/15/19/506001519.db2.gz NWLUUKQKJJAXNV-UHFFFAOYSA-N 0 3 356.514 3.351 20 30 FGEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(Sc2ccccc2)cc1 ZINC000575797326 506007077 /nfs/dbraw/zinc/00/70/77/506007077.db2.gz TWOVZODJMFWNMX-GOSISDBHSA-N 0 3 355.507 3.134 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CCC1(F)F ZINC000289757864 498280881 /nfs/dbraw/zinc/28/08/81/498280881.db2.gz KOBQZKIDESWTML-LLVKDONJSA-N 0 3 353.438 3.414 20 30 FGEDHN N#CCc1ccc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000286062136 498281895 /nfs/dbraw/zinc/28/18/95/498281895.db2.gz CUDDLXPJAXDJPE-QHCPKHFHSA-N 0 3 359.473 3.491 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000360809358 498312533 /nfs/dbraw/zinc/31/25/33/498312533.db2.gz JTWWEKLEUQRRIH-UYAOXDASSA-N 0 3 357.498 3.104 20 30 FGEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000578758943 506014636 /nfs/dbraw/zinc/01/46/36/506014636.db2.gz GTVXXCCNEIQCHZ-FUHWJXTLSA-N 0 3 371.456 3.475 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000365172344 498333297 /nfs/dbraw/zinc/33/32/97/498333297.db2.gz VDAQHAWHLXJACU-LJQANCHMSA-N 0 3 370.541 3.243 20 30 FGEDHN CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1F ZINC000569792263 506017982 /nfs/dbraw/zinc/01/79/82/506017982.db2.gz WJPQHVNLTYNSMD-CYBMUJFWSA-N 0 3 350.353 3.161 20 30 FGEDHN CC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)cc1F ZINC000569792263 506017987 /nfs/dbraw/zinc/01/79/87/506017987.db2.gz WJPQHVNLTYNSMD-CYBMUJFWSA-N 0 3 350.353 3.161 20 30 FGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000331523600 498359097 /nfs/dbraw/zinc/35/90/97/498359097.db2.gz JXHUGXOEFRNJPO-QRFRQXIXSA-N 0 3 355.482 3.047 20 30 FGEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000578822385 506028468 /nfs/dbraw/zinc/02/84/68/506028468.db2.gz HKJHDJGFWIQVMJ-UHFFFAOYSA-N 0 3 365.437 3.305 20 30 FGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331657455 498410939 /nfs/dbraw/zinc/41/09/39/498410939.db2.gz XSEDXSJWONUPDJ-MNRMEVMPSA-N 0 3 355.482 3.147 20 30 FGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000575949064 506039374 /nfs/dbraw/zinc/03/93/74/506039374.db2.gz QUCBVEIJCHXGJS-XGHQBKJUSA-N 0 3 363.461 3.105 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1)CC(F)(F)F ZINC000282214052 498425551 /nfs/dbraw/zinc/42/55/51/498425551.db2.gz HMQQPJAHWZVHIH-OAHLLOKOSA-N 0 3 355.404 3.273 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1)CC(F)(F)F ZINC000282214050 498426012 /nfs/dbraw/zinc/42/60/12/498426012.db2.gz HMQQPJAHWZVHIH-HNNXBMFYSA-N 0 3 355.404 3.273 20 30 FGEDHN Cc1nc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)ccc1C#N ZINC000365537068 498519969 /nfs/dbraw/zinc/51/99/69/498519969.db2.gz OOPPZZORQVZOSK-CRAIPNDOSA-N 0 3 354.479 3.136 20 30 FGEDHN C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000286964517 498571100 /nfs/dbraw/zinc/57/11/00/498571100.db2.gz JJQVWKNUSSUNAA-AUUYWEPGSA-N 0 3 354.429 3.360 20 30 FGEDHN N#CC(CCN1CC[C@H](n2cncn2)C1)(c1ccccc1)c1ccccc1 ZINC000365636770 498572076 /nfs/dbraw/zinc/57/20/76/498572076.db2.gz SIHNTIDXMPBSFX-NRFANRHFSA-N 0 3 357.461 3.425 20 30 FGEDHN C=CC[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000569961725 506056985 /nfs/dbraw/zinc/05/69/85/506056985.db2.gz HBUNNCVIABAAIJ-IBGZPJMESA-N 0 3 354.475 3.109 20 30 FGEDHN Cc1csc([C@H]2CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)n1 ZINC000332147071 498580041 /nfs/dbraw/zinc/58/00/41/498580041.db2.gz HUTYEJUEZRHNKA-ROUUACIJSA-N 0 3 364.474 3.412 20 30 FGEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000569973668 506059725 /nfs/dbraw/zinc/05/97/25/506059725.db2.gz LGASGIUXENCTNS-KUHUBIRLSA-N 0 3 352.413 3.482 20 30 FGEDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2c(C#N)cccc2C#N)C1 ZINC000302881583 498614991 /nfs/dbraw/zinc/61/49/91/498614991.db2.gz JDIFZTIADFRCJQ-OAHLLOKOSA-N 0 3 351.479 3.153 20 30 FGEDHN C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000290711803 498655810 /nfs/dbraw/zinc/65/58/10/498655810.db2.gz KZGAVUMXXFTSLV-FQEVSTJZSA-N 0 3 369.509 3.030 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3cccc(OC)c3)CC2)CC1 ZINC000290892563 498713941 /nfs/dbraw/zinc/71/39/41/498713941.db2.gz UCNIXIHYIVESMQ-UHFFFAOYSA-N 0 3 357.498 3.067 20 30 FGEDHN N#Cc1cc(NC(=O)C2CCN(C3CC3)CC2)ccc1OC(F)(F)F ZINC000283003819 498742620 /nfs/dbraw/zinc/74/26/20/498742620.db2.gz MLRZZZIMEMJJQT-UHFFFAOYSA-N 0 3 353.344 3.270 20 30 FGEDHN C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN1Cc1ccccc1 ZINC000298427404 498768588 /nfs/dbraw/zinc/76/85/88/498768588.db2.gz LRDHPVPDZAAZGK-HBFSDRIKSA-N 0 3 354.498 3.375 20 30 FGEDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000287543104 498791436 /nfs/dbraw/zinc/79/14/36/498791436.db2.gz PJVDUTMGGIRPNY-UHFFFAOYSA-N 0 3 351.425 3.434 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000287544156 498792688 /nfs/dbraw/zinc/79/26/88/498792688.db2.gz JIKFFMYFIAENHN-XJKSGUPXSA-N 0 3 361.467 3.217 20 30 FGEDHN C=CCOc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1OC ZINC000294761117 498796976 /nfs/dbraw/zinc/79/69/76/498796976.db2.gz JBXLCCFRSUGBOT-ZWKOTPCHSA-N 0 3 366.461 3.041 20 30 FGEDHN CC(C)(NCCC(=O)Nc1ccccc1C#N)c1ccccc1[N+](=O)[O-] ZINC000298545643 498807633 /nfs/dbraw/zinc/80/76/33/498807633.db2.gz YBHCORYLHHBCRT-UHFFFAOYSA-N 0 3 352.394 3.320 20 30 FGEDHN Cc1nc(C(=O)N(Cc2ccccc2F)C2CCN(C)CC2)ccc1C#N ZINC000363502731 498851991 /nfs/dbraw/zinc/85/19/91/498851991.db2.gz RPJLHQMYLQSICY-UHFFFAOYSA-N 0 3 366.440 3.137 20 30 FGEDHN COc1cc(CN[C@H]2CC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000294933748 498853507 /nfs/dbraw/zinc/85/35/07/498853507.db2.gz BTHREHKOTYKFKL-AAEUAGOBSA-N 0 3 369.368 3.419 20 30 FGEDHN N#Cc1cnn2cc(CN[C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)cnc12 ZINC000570162639 506104950 /nfs/dbraw/zinc/10/49/50/506104950.db2.gz UOQWKGZYUCZSCQ-IAGOWNOFSA-N 0 3 371.803 3.013 20 30 FGEDHN CC(C)(C#N)c1ccccc1CN1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000366354063 498889957 /nfs/dbraw/zinc/88/99/57/498889957.db2.gz KUHSUABXOVMBRH-UHFFFAOYSA-N 0 3 350.466 3.210 20 30 FGEDHN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000328722542 498914963 /nfs/dbraw/zinc/91/49/63/498914963.db2.gz ABIJHFWYVAIHMA-HOCLYGCPSA-N 0 3 362.470 3.429 20 30 FGEDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C12CCCC2 ZINC000333195687 498932401 /nfs/dbraw/zinc/93/24/01/498932401.db2.gz XCNXPEGCLJWULT-BZUAXINKSA-N 0 3 359.495 3.052 20 30 FGEDHN C=CCn1cccc1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000582023088 506114577 /nfs/dbraw/zinc/11/45/77/506114577.db2.gz SBTCUHVHDQZLDV-HXUWFJFHSA-N 0 3 355.482 3.494 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC000573088419 506116083 /nfs/dbraw/zinc/11/60/83/506116083.db2.gz JGQBXPPFYGMNHJ-AZUAARDMSA-N 0 3 373.545 3.008 20 30 FGEDHN CN1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)[C@H]1c1ccccc1 ZINC000328878079 498971328 /nfs/dbraw/zinc/97/13/28/498971328.db2.gz IWGLRRKRXLPKIP-XWTMOSNGSA-N 0 3 358.486 3.420 20 30 FGEDHN CN1CCC(Oc2ccc(CNC(=O)c3cn4c(n3)CCCC4)cc2)CC1 ZINC000328915958 498984329 /nfs/dbraw/zinc/98/43/29/498984329.db2.gz RBGJXLRTKRKXPW-UHFFFAOYSA-N 0 3 368.481 3.197 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC000579223079 506123390 /nfs/dbraw/zinc/12/33/90/506123390.db2.gz MRYIUPNRRZHKNC-HRAATJIYSA-N 0 3 354.425 3.299 20 30 FGEDHN N#Cc1cnc(NC[C@@H]2CCCN(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000295426949 499014647 /nfs/dbraw/zinc/01/46/47/499014647.db2.gz FKODYDGMORPRBV-ZDUSSCGKSA-N 0 3 357.439 3.247 20 30 FGEDHN CN1C[C@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@@H](c2ccccc2)C1 ZINC000329013005 499014776 /nfs/dbraw/zinc/01/47/76/499014776.db2.gz IXPCIWPAYHKJJM-MSOLQXFVSA-N 0 3 352.434 3.250 20 30 FGEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000295449092 499021841 /nfs/dbraw/zinc/02/18/41/499021841.db2.gz QBOSCPJBVSNQRE-QZTJIDSGSA-N 0 3 373.497 3.019 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000366724994 499049316 /nfs/dbraw/zinc/04/93/16/499049316.db2.gz QTGHGPPKXGIEFN-LMNJBCLMSA-N 0 3 371.525 3.492 20 30 FGEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C1 ZINC000329143111 499054106 /nfs/dbraw/zinc/05/41/06/499054106.db2.gz VKHMPDTXTURZRC-HSSOGYSNSA-N 0 3 373.522 3.232 20 30 FGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H](C)[C@H](C)CO)c1C#N ZINC000295705003 499084403 /nfs/dbraw/zinc/08/44/03/499084403.db2.gz JQHWOXOYYFVQMX-HIFRSBDPSA-N 0 3 360.502 3.027 20 30 FGEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000329271500 499088174 /nfs/dbraw/zinc/08/81/74/499088174.db2.gz ICWNLSLYTDQBPX-BDXSIMOUSA-N 0 3 364.534 3.240 20 30 FGEDHN Cc1ccc(NC(=O)NC(=O)CN2CC[C@H](N3CCCCC3)C2)cc1C ZINC000329271137 499088737 /nfs/dbraw/zinc/08/87/37/499088737.db2.gz HJSTXFSWXWTFDJ-SFHVURJKSA-N 0 3 358.486 3.352 20 30 FGEDHN C[C@@H](NC(=O)NCC1(O)CCC(C(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000329281890 499090421 /nfs/dbraw/zinc/09/04/21/499090421.db2.gz FEMOYHCXESXGLX-XRTORIHISA-N 0 3 351.535 3.108 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@H]1CCCCO1 ZINC000329377103 499111651 /nfs/dbraw/zinc/11/16/51/499111651.db2.gz LVJBMCDAJBAEIT-RLLQIKCJSA-N 0 3 359.514 3.360 20 30 FGEDHN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000329405451 499115769 /nfs/dbraw/zinc/11/57/69/499115769.db2.gz BTQPEDBMEPTBIX-DOMZBBRYSA-N 0 3 360.483 3.185 20 30 FGEDHN CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)[N-]C2(C)CC2)cc1 ZINC000284524670 499120330 /nfs/dbraw/zinc/12/03/30/499120330.db2.gz UTJYQSRKNLTEPQ-UHFFFAOYSA-O 0 3 354.499 3.121 20 30 FGEDHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(C2CCC(C)CC2)CC1 ZINC000329455965 499123915 /nfs/dbraw/zinc/12/39/15/499123915.db2.gz NDAGLIRAFFLCQG-ZCDVPAHGSA-N 0 3 361.534 3.210 20 30 FGEDHN Cn1cc(CN2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1C#N ZINC000367040095 499137772 /nfs/dbraw/zinc/13/77/72/499137772.db2.gz DVKFLUVERFEZHQ-UHFFFAOYSA-N 0 3 358.486 3.120 20 30 FGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@]3(CCCCO3)C1)CCC2 ZINC000370090361 499178780 /nfs/dbraw/zinc/17/87/80/499178780.db2.gz GCDDCQZYGUJCHH-HXUWFJFHSA-N 0 3 373.522 3.472 20 30 FGEDHN C[C@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000367430552 499197952 /nfs/dbraw/zinc/19/79/52/499197952.db2.gz KLFFQOLUZCAZTJ-FXAWDEMLSA-N 0 3 363.461 3.083 20 30 FGEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000370564607 499232015 /nfs/dbraw/zinc/23/20/15/499232015.db2.gz BYYPEGNVSOXWBM-LEWJYISDSA-N 0 3 361.445 3.040 20 30 FGEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1Br ZINC000370743936 499250468 /nfs/dbraw/zinc/25/04/68/499250468.db2.gz ZCLXYUSQKPEBSY-AWEZNQCLSA-N 0 3 363.259 3.023 20 30 FGEDHN COc1ccccc1CC(=O)N1CCCN(CC(C)(C)CCC#N)CC1 ZINC000371413629 499323292 /nfs/dbraw/zinc/32/32/92/499323292.db2.gz WINIEXSXMIBBDT-UHFFFAOYSA-N 0 3 357.498 3.102 20 30 FGEDHN N#Cc1cccc(/C=C/C(=O)NC2CCN(Cc3cccs3)CC2)c1 ZINC000368806848 499334877 /nfs/dbraw/zinc/33/48/77/499334877.db2.gz TYBAJSPRFKZIJN-VOTSOKGWSA-N 0 3 351.475 3.414 20 30 FGEDHN CN(C(=O)[C@H]1CC12CCN(CCCOc1ccc(C#N)cc1)CC2)C1CC1 ZINC000371544119 499340114 /nfs/dbraw/zinc/34/01/14/499340114.db2.gz PZIYRIBIUFNORB-HXUWFJFHSA-N 0 3 367.493 3.050 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccccc2-c2ccncc2)CC1 ZINC000369217883 499378382 /nfs/dbraw/zinc/37/83/82/499378382.db2.gz DDELRVZXHYVSAK-UHFFFAOYSA-N 0 3 350.466 3.198 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCc3cnn(C(C)C)c32)CC1 ZINC000372031048 499391221 /nfs/dbraw/zinc/39/12/21/499391221.db2.gz LGXBNKNTOZOYJJ-SFHVURJKSA-N 0 3 359.518 3.181 20 30 FGEDHN C#CCN1CCC(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccncc2)CC1 ZINC000369323122 499391406 /nfs/dbraw/zinc/39/14/06/499391406.db2.gz IZMSHMQWGOLLMI-JOCHJYFZSA-N 0 3 373.456 3.379 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](c3ncc(C)s3)C2)CC1 ZINC000369393802 499398998 /nfs/dbraw/zinc/39/89/98/499398998.db2.gz FJKSLEAZSWAQDD-MRXNPFEDSA-N 0 3 362.543 3.381 20 30 FGEDHN C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000576388186 506146368 /nfs/dbraw/zinc/14/63/68/506146368.db2.gz YDCWNQYSLHVXQA-MSOLQXFVSA-N 0 3 369.513 3.005 20 30 FGEDHN CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000373075059 499450049 /nfs/dbraw/zinc/45/00/49/499450049.db2.gz SCKQIJKJGABEMK-HNNXBMFYSA-N 0 3 360.506 3.451 20 30 FGEDHN CN1CCC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000373299241 499462222 /nfs/dbraw/zinc/46/22/22/499462222.db2.gz DMGLKUMCTAFXEM-DOTOQJQBSA-N 0 3 360.527 3.466 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000373336931 499464014 /nfs/dbraw/zinc/46/40/14/499464014.db2.gz JDXHAVROTWNDDS-NJDAHSKKSA-N 0 3 371.525 3.266 20 30 FGEDHN C=CCc1cc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)cc(OC)c1O ZINC000373536014 499475490 /nfs/dbraw/zinc/47/54/90/499475490.db2.gz UOSNQGYBZUCVRT-JOCHJYFZSA-N 0 3 364.445 3.225 20 30 FGEDHN C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000375381334 499512258 /nfs/dbraw/zinc/51/22/58/499512258.db2.gz SDSXISMZNRVGPN-RHSMWYFYSA-N 0 3 366.431 3.039 20 30 FGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000375447501 499520346 /nfs/dbraw/zinc/52/03/46/499520346.db2.gz HXBGFTZIHWRRND-WELBPKCISA-N 0 3 355.482 3.291 20 30 FGEDHN N#CCCCOc1cccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000375751513 499551481 /nfs/dbraw/zinc/55/14/81/499551481.db2.gz SUQCXXJUJJCOQI-LJQANCHMSA-N 0 3 370.497 3.139 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000376005754 499575672 /nfs/dbraw/zinc/57/56/72/499575672.db2.gz XGBIWICCXNPDNF-KRWDZBQOSA-N 0 3 354.413 3.307 20 30 FGEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2NCc2cccnc2OCC(F)F)O1 ZINC000376178976 499589336 /nfs/dbraw/zinc/58/93/36/499589336.db2.gz WDZVENAGZSIQFN-FPCVCCKLSA-N 0 3 351.397 3.055 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000410475091 499664149 /nfs/dbraw/zinc/66/41/49/499664149.db2.gz YYLOOMUKXALLHQ-MOPGFXCFSA-N 0 3 360.523 3.427 20 30 FGEDHN COC[C@]1(CNCc2ccc(O[C@@H](C)C#N)cc2)OCCc2ccccc21 ZINC000377719229 499724995 /nfs/dbraw/zinc/72/49/95/499724995.db2.gz FKMFJELMNRVMTM-JTSKRJEESA-N 0 3 366.461 3.182 20 30 FGEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCNCC2)cc1 ZINC000415084841 499862011 /nfs/dbraw/zinc/86/20/11/499862011.db2.gz PBCXTCOJDFOUAW-UHFFFAOYSA-N 0 3 366.421 3.186 20 30 FGEDHN N#Cc1ccc(OC(F)F)c(NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000415125552 499867069 /nfs/dbraw/zinc/86/70/69/499867069.db2.gz OGDTWQZCQUWNOT-LSDHHAIUSA-N 0 3 372.375 3.118 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCC[C@@H]1OC ZINC000570415193 506162937 /nfs/dbraw/zinc/16/29/37/506162937.db2.gz WJFDDGQUYVRNNK-HOTGVXAUSA-N 0 3 350.532 3.152 20 30 FGEDHN CC(C)Cc1c[nH]c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000413265038 499934424 /nfs/dbraw/zinc/93/44/24/499934424.db2.gz MZEJSCLWGALZRQ-UHFFFAOYSA-N 0 3 352.482 3.289 20 30 FGEDHN C=CCc1cc(CN2CCC[C@H](N3CCCC3=O)CC2)cc(OC)c1O ZINC000573305275 506167171 /nfs/dbraw/zinc/16/71/71/506167171.db2.gz SDVCLIHQQIMIQY-SFHVURJKSA-N 0 3 358.482 3.106 20 30 FGEDHN N#Cc1cc(F)ccc1NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000413581517 499997209 /nfs/dbraw/zinc/99/72/09/499997209.db2.gz NDDBXCBNBPEJNH-UHFFFAOYSA-N 0 3 366.440 3.007 20 30 FGEDHN COc1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1OCCN(C)C ZINC000416332600 500018559 /nfs/dbraw/zinc/01/85/59/500018559.db2.gz HSWGYFSSZYYLBI-UHFFFAOYSA-N 0 3 373.840 3.413 20 30 FGEDHN N#Cc1c2c(cnc1N1C[C@H]3CCN(Cc4ccccc4)C[C@H]3C1)CCC2 ZINC000425266034 500060571 /nfs/dbraw/zinc/06/05/71/500060571.db2.gz GRONBHKCMMYKHE-UXHICEINSA-N 0 3 358.489 3.400 20 30 FGEDHN CSC1(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCN(C)CC1 ZINC000416728480 500099319 /nfs/dbraw/zinc/09/93/19/500099319.db2.gz PVFKRHHVGLWUTE-SFHVURJKSA-N 0 3 372.538 3.062 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NC1(CO)C2CC3CC(C2)CC1C3 ZINC000413952891 500105626 /nfs/dbraw/zinc/10/56/26/500105626.db2.gz LUWJWGJKYLNNJF-DNQLONFHSA-N 0 3 352.478 3.062 20 30 FGEDHN C[C@H]1CC[C@@H](N(C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000429583201 500107257 /nfs/dbraw/zinc/10/72/57/500107257.db2.gz ABRCTSJUSDYGTH-WMLDXEAASA-N 0 3 352.400 3.294 20 30 FGEDHN COc1ccc(COC[C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425539291 500138106 /nfs/dbraw/zinc/13/81/06/500138106.db2.gz TZCGWYXHUKOUKH-JXFKEZNVSA-N 0 3 354.450 3.137 20 30 FGEDHN C=CCC(C)(C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000429860499 500157788 /nfs/dbraw/zinc/15/77/88/500157788.db2.gz TUAVEWIBBWDFID-UHFFFAOYSA-N 0 3 357.542 3.303 20 30 FGEDHN C=CCOc1ccc(CNC(=O)NC[C@@H](N)c2ccccc2CC)cc1 ZINC000418159349 500239467 /nfs/dbraw/zinc/23/94/67/500239467.db2.gz CEYHYUQWOFHEHB-HXUWFJFHSA-N 0 3 353.466 3.313 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000426183150 500244554 /nfs/dbraw/zinc/24/45/54/500244554.db2.gz MTASQLMPVLQNLG-LJQANCHMSA-N 0 3 358.445 3.320 20 30 FGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CNc1cccc(C#N)c1 ZINC000426432990 500271856 /nfs/dbraw/zinc/27/18/56/500271856.db2.gz JWPSYUGCHYUWQX-UHFFFAOYSA-N 0 3 370.884 3.214 20 30 FGEDHN CN(C(N)=O)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000426546434 500287750 /nfs/dbraw/zinc/28/77/50/500287750.db2.gz AJHYZXYLUCSXQZ-UHFFFAOYSA-N 0 3 363.465 3.150 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418636594 500299199 /nfs/dbraw/zinc/29/91/99/500299199.db2.gz MLSGUEUJXGZRGR-FQEVSTJZSA-N 0 3 353.441 3.410 20 30 FGEDHN C=CCc1cc(CNC(=O)[C@H](N)CC2CCCCC2)cc(OC)c1OC ZINC000423120814 500345286 /nfs/dbraw/zinc/34/52/86/500345286.db2.gz HSMHDXNBGNDXAH-GOSISDBHSA-N 0 3 360.498 3.346 20 30 FGEDHN C=CCOc1ccc(Br)cc1N[C@H](C)C[C@H]1COCCN1 ZINC000423173390 500351240 /nfs/dbraw/zinc/35/12/40/500351240.db2.gz YIUNOVGDGWROQD-OCCSQVGLSA-N 0 3 355.276 3.193 20 30 FGEDHN Cc1ccc(CC(C)(C)NCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000419311283 500351479 /nfs/dbraw/zinc/35/14/79/500351479.db2.gz BOWBBIKJBCHNTM-UHFFFAOYSA-N 0 3 356.491 3.251 20 30 FGEDHN C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)OCCc2sccc21 ZINC000427211443 500368322 /nfs/dbraw/zinc/36/83/22/500368322.db2.gz WRGMCOKBMREZTN-OXJNMPFZSA-N 0 3 354.475 3.425 20 30 FGEDHN CN(C)CCN(Cc1ccco1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419630453 500386411 /nfs/dbraw/zinc/38/64/11/500386411.db2.gz CWQBYHIBRXAJCB-FQEVSTJZSA-N 0 3 366.465 3.302 20 30 FGEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000423653471 500392727 /nfs/dbraw/zinc/39/27/27/500392727.db2.gz OYCLHOUKFPDHEM-UHFFFAOYSA-N 0 3 356.397 3.297 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OCC(F)(F)F)c2)CC1 ZINC000431921112 500443676 /nfs/dbraw/zinc/44/36/76/500443676.db2.gz WIILOKPGEIHVMN-UHFFFAOYSA-N 0 3 356.388 3.398 20 30 FGEDHN COCCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000424092944 500451547 /nfs/dbraw/zinc/45/15/47/500451547.db2.gz IHQPKFXUHWJYGD-CZUORRHYSA-N 0 3 371.403 3.263 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000424102272 500453286 /nfs/dbraw/zinc/45/32/86/500453286.db2.gz OIYRNRGWTWDNLY-HNNXBMFYSA-N 0 3 364.287 3.008 20 30 FGEDHN COc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)c2ccc(C)cc2)cc1 ZINC000424109150 500454452 /nfs/dbraw/zinc/45/44/52/500454452.db2.gz ZJLTXEKGBAAOTB-UXHICEINSA-N 0 3 351.450 3.230 20 30 FGEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cccc1C(=O)Nc1ccccc1 ZINC000424114393 500455713 /nfs/dbraw/zinc/45/57/13/500455713.db2.gz QUSGDAOUUUFEHZ-KRWDZBQOSA-N 0 3 350.422 3.207 20 30 FGEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000424114781 500455935 /nfs/dbraw/zinc/45/59/35/500455935.db2.gz SRKOWJUEANFLFJ-RTBURBONSA-N 0 3 357.404 3.386 20 30 FGEDHN Cc1cc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)ccc1Br ZINC000424179234 500464123 /nfs/dbraw/zinc/46/41/23/500464123.db2.gz YLTAHVSNIGIBSF-HZPDHXFCSA-N 0 3 364.287 3.442 20 30 FGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000424182744 500464524 /nfs/dbraw/zinc/46/45/24/500464524.db2.gz AAUJASSRKYHUCV-INIZCTEOSA-N 0 3 351.853 3.428 20 30 FGEDHN C[C@@]1(CNC(=O)CNc2cccc(C#N)c2)CCCN1Cc1ccccc1 ZINC000428324097 500495992 /nfs/dbraw/zinc/49/59/92/500495992.db2.gz CNQCYPSIJMHJBF-QFIPXVFZSA-N 0 3 362.477 3.141 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000420794654 500503360 /nfs/dbraw/zinc/50/33/60/500503360.db2.gz CWUSPKVYHOIDFW-HNAYVOBHSA-N 0 3 368.506 3.330 20 30 FGEDHN C=CCn1c(CCCc2cccs2)nnc1N1CCCN(CC)CC1 ZINC000582388746 506200461 /nfs/dbraw/zinc/20/04/61/506200461.db2.gz AMIQAJPBXLIOME-UHFFFAOYSA-N 0 3 359.543 3.233 20 30 FGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@H]2CCCN2C)c1C#N ZINC000421000739 500551332 /nfs/dbraw/zinc/55/13/32/500551332.db2.gz KFZBSEWORBXIDK-GOSISDBHSA-N 0 3 371.529 3.056 20 30 FGEDHN C[C@@H]1CN(CCCNc2c(C#N)cnc3ccc(Cl)cc32)CCCO1 ZINC000432856018 500578644 /nfs/dbraw/zinc/57/86/44/500578644.db2.gz YHWYKEJKBJGGMA-CQSZACIVSA-N 0 3 358.873 3.095 20 30 FGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433317676 500670588 /nfs/dbraw/zinc/67/05/88/500670588.db2.gz JHHMLUAJEIOTIX-DFQSSKMNSA-N 0 3 369.509 3.302 20 30 FGEDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C#N)CCc2ccccc2)o1 ZINC000433318601 500670804 /nfs/dbraw/zinc/67/08/04/500670804.db2.gz MCTHQKIPRBIWFC-IBGZPJMESA-N 0 3 353.466 3.251 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000437638598 500673479 /nfs/dbraw/zinc/67/34/79/500673479.db2.gz YOXFYLHTJVKJHR-NQIIRXRSSA-N 0 3 371.525 3.240 20 30 FGEDHN CN1CCC(N(Cc2ccco2)C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433342382 500676706 /nfs/dbraw/zinc/67/67/06/500676706.db2.gz JNQNGAOKMWJQGK-LJQANCHMSA-N 0 3 365.477 3.475 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000433345798 500677372 /nfs/dbraw/zinc/67/73/72/500677372.db2.gz ZVTIQEHXTROLNV-PXNSSMCTSA-N 0 3 352.409 3.498 20 30 FGEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000433362631 500681104 /nfs/dbraw/zinc/68/11/04/500681104.db2.gz PTPIXDYUTRBEGS-NHCUHLMSSA-N 0 3 363.461 3.362 20 30 FGEDHN C[C@@H]1OCC[C@]1(O)CN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000447927059 500690971 /nfs/dbraw/zinc/69/09/71/500690971.db2.gz ODLYHKJADIXQJL-AVRDEDQJSA-N 0 3 353.437 3.219 20 30 FGEDHN N#Cc1cccc(N2CCN(CCCCCOc3ccccc3)CC2)n1 ZINC000437967366 500722763 /nfs/dbraw/zinc/72/27/63/500722763.db2.gz ZGAHKZZCRVKIBB-UHFFFAOYSA-N 0 3 350.466 3.325 20 30 FGEDHN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000573553192 506211098 /nfs/dbraw/zinc/21/10/98/506211098.db2.gz XYMYRWBNHMORSB-FCEWJHQRSA-N 0 3 367.497 3.059 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(NC(C)=O)c(F)c1)C(C)C ZINC000433790993 500744598 /nfs/dbraw/zinc/74/45/98/500744598.db2.gz ATNGQSNCGVNSMA-IBGZPJMESA-N 0 3 361.461 3.213 20 30 FGEDHN C=CCCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000448383554 500756818 /nfs/dbraw/zinc/75/68/18/500756818.db2.gz PJGMDMBQRMOBID-UHFFFAOYSA-N 0 3 368.319 3.489 20 30 FGEDHN Cc1cc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000443980315 500786626 /nfs/dbraw/zinc/78/66/26/500786626.db2.gz QMAGOGRKRHCKRB-QGZVFWFLSA-N 0 3 364.367 3.415 20 30 FGEDHN Cc1nc(C2CC2)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000448725598 500815390 /nfs/dbraw/zinc/81/53/90/500815390.db2.gz MIGDXCHCRQVAQE-UHFFFAOYSA-N 0 3 362.477 3.343 20 30 FGEDHN C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)N1[C@H](C)CC[C@@H]1C ZINC000444525230 500855633 /nfs/dbraw/zinc/85/56/33/500855633.db2.gz LAYQKDNJOXETRA-OWCLPIDISA-N 0 3 374.916 3.122 20 30 FGEDHN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)C(C)C#N)C(F)(F)F ZINC000434643726 500871892 /nfs/dbraw/zinc/87/18/92/500871892.db2.gz CXPZSSWZGXVGAY-MEBBXXQBSA-N 0 3 350.344 3.368 20 30 FGEDHN N#CC(C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1cnc2ccccc2n1 ZINC000434649550 500873396 /nfs/dbraw/zinc/87/33/96/500873396.db2.gz ZZQGKJLNYJKQQA-SJORKVTESA-N 0 3 359.385 3.288 20 30 FGEDHN C=CCCCN(C)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449030457 500903911 /nfs/dbraw/zinc/90/39/11/500903911.db2.gz RXHWNEIAFXSHRB-ZDUSSCGKSA-N 0 3 369.303 3.360 20 30 FGEDHN N#Cc1ccc([C@H](NCCc2c[nH]c3ccc(Cl)cc23)C(N)=O)cc1 ZINC000439628618 500919941 /nfs/dbraw/zinc/91/99/41/500919941.db2.gz ZNJVTACQNJYSMI-SFHVURJKSA-N 0 3 352.825 3.052 20 30 FGEDHN C=CCOc1ccc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)OC)C2)cc1 ZINC000449346927 500983600 /nfs/dbraw/zinc/98/36/00/500983600.db2.gz FIDFATRBKZBDHD-LEWJYISDSA-N 0 3 367.445 3.346 20 30 FGEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000449432940 501001783 /nfs/dbraw/zinc/00/17/83/501001783.db2.gz JYJCNEANRQQMRA-JZXOWHBKSA-N 0 3 351.874 3.267 20 30 FGEDHN COc1cc(CNCCN2CCc3c(Cl)cccc3C2)ccc1C#N ZINC000440611305 501029040 /nfs/dbraw/zinc/02/90/40/501029040.db2.gz GHLVKCKYJBVCIZ-UHFFFAOYSA-N 0 3 355.869 3.368 20 30 FGEDHN N#CC1CCC(N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000602614006 506231775 /nfs/dbraw/zinc/23/17/75/506231775.db2.gz DCBIYLJPRRTPDA-PIMMBPRGSA-N 0 3 351.372 3.483 20 30 FGEDHN C=CCC[C@H](CO)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449696660 501064429 /nfs/dbraw/zinc/06/44/29/501064429.db2.gz ITBKVNPNGGUDHI-CQSZACIVSA-N 0 3 350.260 3.256 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(N2CCCC2)ccn1)C(C)C ZINC000446041888 501065473 /nfs/dbraw/zinc/06/54/73/501065473.db2.gz KVGIABDRDBHJPQ-HXUWFJFHSA-N 0 3 356.514 3.110 20 30 FGEDHN N#CC1CCC(N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000602614007 506232355 /nfs/dbraw/zinc/23/23/55/506232355.db2.gz DCBIYLJPRRTPDA-SSDMNJCBSA-N 0 3 351.372 3.483 20 30 FGEDHN N#Cc1cccc(CN(CCCOc2ccccc2)C2CCOCC2)n1 ZINC000602615558 506233491 /nfs/dbraw/zinc/23/34/91/506233491.db2.gz FRBLLFAIIWGLQN-UHFFFAOYSA-N 0 3 351.450 3.403 20 30 FGEDHN CN(C)CCN(Cc1ccccc1)c1ncc(Br)cc1C#N ZINC000450376609 501104430 /nfs/dbraw/zinc/10/44/30/501104430.db2.gz HACYHJAQCAGSOA-UHFFFAOYSA-N 0 3 359.271 3.284 20 30 FGEDHN Cc1c(C#N)c(N2CCN(C3CCN(C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000450415591 501116180 /nfs/dbraw/zinc/11/61/80/501116180.db2.gz CQQHAGMQHBFHPJ-MRXNPFEDSA-N 0 3 363.509 3.020 20 30 FGEDHN CC1CCC(N(CC(=O)NCc2cccc(C#N)c2)C[C@H]2CCCO2)CC1 ZINC000441464272 501143723 /nfs/dbraw/zinc/14/37/23/501143723.db2.gz NTEGENKCIBVNAA-FBPXKMNZSA-N 0 3 369.509 3.234 20 30 FGEDHN C=CCC1(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CCCCC1 ZINC000450048206 501164308 /nfs/dbraw/zinc/16/43/08/501164308.db2.gz BAQREWXRCNUQBM-JOCHJYFZSA-N 0 3 356.510 3.266 20 30 FGEDHN CCN1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442080981 501195960 /nfs/dbraw/zinc/19/59/60/501195960.db2.gz MWPOXPRRCAWWDK-UHFFFAOYSA-N 0 3 356.348 3.063 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCO[C@@H](C)C1 ZINC000447113926 501206090 /nfs/dbraw/zinc/20/60/90/501206090.db2.gz NRBPVXBOXGWRIO-IRXDYDNUSA-N 0 3 364.559 3.400 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450814551 501212875 /nfs/dbraw/zinc/21/28/75/501212875.db2.gz WAYGVAZYYHYUJW-INIZCTEOSA-N 0 3 350.422 3.425 20 30 FGEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000457604183 501266987 /nfs/dbraw/zinc/26/69/87/501266987.db2.gz HCLJQRFDJRUAMY-HMXCVIKNSA-N 0 3 356.510 3.481 20 30 FGEDHN N#CCCn1cc(C(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000451413851 501286572 /nfs/dbraw/zinc/28/65/72/501286572.db2.gz HQNSBVFNKRZWPE-IOMROCGXSA-N 0 3 365.477 3.363 20 30 FGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451414292 501287748 /nfs/dbraw/zinc/28/77/48/501287748.db2.gz HYHSUFUBWWGYCV-HUYLIWGRSA-N 0 3 373.472 3.086 20 30 FGEDHN CCO[C@@H]1C[C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000451472279 501300327 /nfs/dbraw/zinc/30/03/27/501300327.db2.gz KEBQEODXFOIGBX-VQTJNVASSA-N 0 3 369.509 3.487 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](COC)CC1)C(C)C ZINC000457760597 501303496 /nfs/dbraw/zinc/30/34/96/501303496.db2.gz XBHRTNMEYYJEJE-RTBURBONSA-N 0 3 351.535 3.143 20 30 FGEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000453361188 501320256 /nfs/dbraw/zinc/32/02/56/501320256.db2.gz AOJLTXOKBOWGRM-HRAATJIYSA-N 0 3 353.441 3.249 20 30 FGEDHN C=CCn1c(N2CCN(CC3CCCCC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453448131 501334544 /nfs/dbraw/zinc/33/45/44/501334544.db2.gz YBZIBIVXYLXANB-NRFANRHFSA-N 0 3 373.545 3.192 20 30 FGEDHN N#Cc1cccc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)n1 ZINC000602653618 506248360 /nfs/dbraw/zinc/24/83/60/506248360.db2.gz HZFCXKHYEOFEFH-GOSISDBHSA-N 0 3 361.367 3.463 20 30 FGEDHN CN1CC[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000455766259 501381805 /nfs/dbraw/zinc/38/18/05/501381805.db2.gz TUGXXJYZCORYSV-WBVHZDCISA-N 0 3 355.829 3.174 20 30 FGEDHN CC(C)(C)Oc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1C#N ZINC000455791463 501387073 /nfs/dbraw/zinc/38/70/73/501387073.db2.gz JVSIKKDGNJGGDM-UHFFFAOYSA-N 0 3 356.470 3.484 20 30 FGEDHN CN(C)CCOc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1F ZINC000458288519 501413045 /nfs/dbraw/zinc/41/30/45/501413045.db2.gz LYLQQWXWJUSURD-UHFFFAOYSA-N 0 3 373.453 3.369 20 30 FGEDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000452033438 501421426 /nfs/dbraw/zinc/42/14/26/501421426.db2.gz GDYWFSPVSZOOFE-UYAOXDASSA-N 0 3 357.498 3.487 20 30 FGEDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000452038780 501422789 /nfs/dbraw/zinc/42/27/89/501422789.db2.gz YIIPMRPNKINXRP-ATZDWAIDSA-N 0 3 361.461 3.398 20 30 FGEDHN CSC1(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN(C)CC1 ZINC000456043826 501443770 /nfs/dbraw/zinc/44/37/70/501443770.db2.gz JZQCEYHYRYYNLR-UHFFFAOYSA-N 0 3 359.539 3.071 20 30 FGEDHN CN(C)C(=O)C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000456235336 501478394 /nfs/dbraw/zinc/47/83/94/501478394.db2.gz ROTYKUQBHALUIQ-UXHICEINSA-N 0 3 363.461 3.095 20 30 FGEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000452347305 501482906 /nfs/dbraw/zinc/48/29/06/501482906.db2.gz ZLCFWWAOODSLNS-HNNXBMFYSA-N 0 3 368.403 3.212 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000454251404 501492342 /nfs/dbraw/zinc/49/23/42/501492342.db2.gz YTFAJLRWJLKCHK-HXUWFJFHSA-N 0 3 361.489 3.202 20 30 FGEDHN C=CCC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)OCC ZINC000456614753 501559144 /nfs/dbraw/zinc/55/91/44/501559144.db2.gz VHGSKWFQIYTXJF-LJQANCHMSA-N 0 3 358.482 3.300 20 30 FGEDHN CN(Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000459375269 501642005 /nfs/dbraw/zinc/64/20/05/501642005.db2.gz YSPIVFZNFKULHG-SFHVURJKSA-N 0 3 350.422 3.173 20 30 FGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454896807 501651519 /nfs/dbraw/zinc/65/15/19/501651519.db2.gz JAZFLCUBLMXBOO-TYPHKJRUSA-N 0 3 371.525 3.131 20 30 FGEDHN N#Cc1cccc(COc2cccc(CNC3(CO)CCSCC3)c2)c1 ZINC000459729205 501705310 /nfs/dbraw/zinc/70/53/10/501705310.db2.gz ONVGRZMXBDXEQL-UHFFFAOYSA-N 0 3 368.502 3.485 20 30 FGEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000459741042 501707563 /nfs/dbraw/zinc/70/75/63/501707563.db2.gz BRTDDVWSYPVYOG-ZTFGCOKTSA-N 0 3 373.522 3.424 20 30 FGEDHN N#Cc1cnc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c(Cl)c1 ZINC000460021314 501725068 /nfs/dbraw/zinc/72/50/68/501725068.db2.gz JMJDLTYFCGABDA-HNNXBMFYSA-N 0 3 352.825 3.231 20 30 FGEDHN COCC[C@H]1CCCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000467281641 501757959 /nfs/dbraw/zinc/75/79/59/501757959.db2.gz WTPIBXZSAJXNFO-XTBIFASLSA-N 0 3 363.546 3.444 20 30 FGEDHN C=CCCN(C)Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000467373395 501780519 /nfs/dbraw/zinc/78/05/19/501780519.db2.gz LYQMFBGWYKGTDD-UHFFFAOYSA-N 0 3 360.498 3.485 20 30 FGEDHN CN(CC1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000463664929 501788771 /nfs/dbraw/zinc/78/87/71/501788771.db2.gz PGPBLFIYWAXVRD-UHFFFAOYSA-N 0 3 351.410 3.214 20 30 FGEDHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470757472 501792428 /nfs/dbraw/zinc/79/24/28/501792428.db2.gz VNCIYUSXYKZWAF-HXUWFJFHSA-N 0 3 369.428 3.085 20 30 FGEDHN C=CCOCCCN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000470763415 501794876 /nfs/dbraw/zinc/79/48/76/501794876.db2.gz CBKHYELOMBDZPZ-KRWDZBQOSA-N 0 3 360.502 3.311 20 30 FGEDHN C=CCOCCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000470766084 501795330 /nfs/dbraw/zinc/79/53/30/501795330.db2.gz PLTVLAKXZIEAOR-UHFFFAOYSA-N 0 3 352.862 3.289 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Br)s2)cc1 ZINC000470795027 501806150 /nfs/dbraw/zinc/80/61/50/501806150.db2.gz KXCOPQBRRSBLKL-ZDUSSCGKSA-N 0 3 374.263 3.381 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477867367 501814205 /nfs/dbraw/zinc/81/42/05/501814205.db2.gz XTMGJZLVWWCZBW-HNNXBMFYSA-N 0 3 367.415 3.231 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000470829705 501820950 /nfs/dbraw/zinc/82/09/50/501820950.db2.gz FHMMKIKCPXTQLT-APWZRJJASA-N 0 3 363.392 3.410 20 30 FGEDHN C=CCSc1ccccc1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000485461714 501827499 /nfs/dbraw/zinc/82/74/99/501827499.db2.gz GATMYEASVFZYIC-UHFFFAOYSA-N 0 3 373.566 3.064 20 30 FGEDHN N#Cc1cccc(OCCN2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000481627054 501835984 /nfs/dbraw/zinc/83/59/84/501835984.db2.gz NAJFUJDHHNJXIU-UHFFFAOYSA-N 0 3 354.425 3.146 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2sccc2Br)cc1 ZINC000470901542 501846934 /nfs/dbraw/zinc/84/69/34/501846934.db2.gz HRWJWUJKDGVVLV-ZDUSSCGKSA-N 0 3 374.263 3.381 20 30 FGEDHN COC(=O)C1CCN(CCCNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000467741475 501857678 /nfs/dbraw/zinc/85/76/78/501857678.db2.gz CTWOZGRNYNDGHV-UHFFFAOYSA-N 0 3 369.387 3.264 20 30 FGEDHN COc1cccc(F)c1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470971452 501877437 /nfs/dbraw/zinc/87/74/37/501877437.db2.gz YSYBRBVTMKNIMS-BBRMVZONSA-N 0 3 351.381 3.266 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2SCCc3ccccc32)cc1 ZINC000470981453 501881084 /nfs/dbraw/zinc/88/10/84/501881084.db2.gz FXXADDVLQQTWPJ-UYAOXDASSA-N 0 3 361.470 3.387 20 30 FGEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2SCCc3ccccc32)cc1 ZINC000470981447 501881126 /nfs/dbraw/zinc/88/11/26/501881126.db2.gz FXXADDVLQQTWPJ-AZUAARDMSA-N 0 3 361.470 3.387 20 30 FGEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000467844217 501889604 /nfs/dbraw/zinc/88/96/04/501889604.db2.gz OIJXTFCVHDEVQU-JOCHJYFZSA-N 0 3 358.526 3.382 20 30 FGEDHN C=C(C)COCCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474803693 501957336 /nfs/dbraw/zinc/95/73/36/501957336.db2.gz GCBXCWDOCBRHIC-HXUWFJFHSA-N 0 3 359.514 3.133 20 30 FGEDHN C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCCN(CC)CC1 ZINC000460947111 501967630 /nfs/dbraw/zinc/96/76/30/501967630.db2.gz DSNSPZIYXBACLQ-UHFFFAOYSA-N 0 3 373.476 3.104 20 30 FGEDHN C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCCC[C@H]1C ZINC000468249422 502004329 /nfs/dbraw/zinc/00/43/29/502004329.db2.gz IOEQYCFYITZXCV-CABCVRRESA-N 0 3 352.438 3.206 20 30 FGEDHN COc1ccc(CNc2nc3ccc(F)cc3[nH]2)cc1OCCCC#N ZINC000485972755 502007875 /nfs/dbraw/zinc/00/78/75/502007875.db2.gz AOCHPATVFYYTCD-UHFFFAOYSA-N 0 3 354.385 3.427 20 30 FGEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000464635682 502050209 /nfs/dbraw/zinc/05/02/09/502050209.db2.gz JSNSRTQSGJLEKV-UHFFFAOYSA-N 0 3 366.440 3.480 20 30 FGEDHN CCO[C@@H]1C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1OC ZINC000482535797 502103424 /nfs/dbraw/zinc/10/34/24/502103424.db2.gz WOAFYJVVXUHZMN-VSKRKVRLSA-N 0 3 366.461 3.419 20 30 FGEDHN CN(CC1CCN(C)CC1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468803543 502189604 /nfs/dbraw/zinc/18/96/04/502189604.db2.gz CHHUDTYPHQCRDQ-UHFFFAOYSA-N 0 3 352.482 3.359 20 30 FGEDHN CCO[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C1=CCCC1 ZINC000465119303 502195210 /nfs/dbraw/zinc/19/52/10/502195210.db2.gz HVFHLWLSSIYBSD-NRFANRHFSA-N 0 3 369.509 3.354 20 30 FGEDHN C[C@H]1[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC000588672781 506301461 /nfs/dbraw/zinc/30/14/61/506301461.db2.gz YMXROLXZXPRFKP-NNZWXOEDSA-N 0 3 354.498 3.279 20 30 FGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@]1(CO)Cc1ccccc1 ZINC000475675299 502251071 /nfs/dbraw/zinc/25/10/71/502251071.db2.gz MYTDDXILSJLVNT-JOCHJYFZSA-N 0 3 366.461 3.015 20 30 FGEDHN C[C@@H](NC1(CNC(=O)c2ccc(C#N)s2)CCOCC1)c1ccccc1 ZINC000487036796 502337846 /nfs/dbraw/zinc/33/78/46/502337846.db2.gz IEOMPJLELRVKFF-OAHLLOKOSA-N 0 3 369.490 3.250 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000582585734 506308353 /nfs/dbraw/zinc/30/83/53/506308353.db2.gz HMBXNVOLDPOYRJ-GOSISDBHSA-N 0 3 357.498 3.307 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000465857457 502405181 /nfs/dbraw/zinc/40/51/81/502405181.db2.gz GUBKBGJOPXMCFE-IBGZPJMESA-N 0 3 371.525 3.310 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC23CCCC3)cc1 ZINC000483481926 502405828 /nfs/dbraw/zinc/40/58/28/502405828.db2.gz YVHSGCHBRZDJGW-XJKSGUPXSA-N 0 3 361.467 3.217 20 30 FGEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000469426310 502412879 /nfs/dbraw/zinc/41/28/79/502412879.db2.gz MMIVWJADENUYPE-UYAOXDASSA-N 0 3 358.482 3.389 20 30 FGEDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000483692895 502465404 /nfs/dbraw/zinc/46/54/04/502465404.db2.gz NJCGKDKCZRSYLJ-YZGWKJHDSA-N 0 3 357.498 3.486 20 30 FGEDHN COc1cnccc1N1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000487714913 502512200 /nfs/dbraw/zinc/51/22/00/502512200.db2.gz BTFOBXATGFCTLJ-UHFFFAOYSA-N 0 3 359.433 3.145 20 30 FGEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1c1cc[nH]n1)C(C)C ZINC000480525293 502591838 /nfs/dbraw/zinc/59/18/38/502591838.db2.gz ZJUUAQSYDXHACG-RBUKOAKNSA-N 0 3 359.518 3.345 20 30 FGEDHN C=CCCC1(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000469984289 502617918 /nfs/dbraw/zinc/61/79/18/502617918.db2.gz KBOHUYNLQGQHBZ-HXUWFJFHSA-N 0 3 355.526 3.228 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cnc(C)cn1 ZINC000488221195 502662893 /nfs/dbraw/zinc/66/28/93/502662893.db2.gz VSNMLAGIYLRRGF-INIZCTEOSA-N 0 3 372.542 3.444 20 30 FGEDHN C=CCOc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1OC ZINC000463035563 502668823 /nfs/dbraw/zinc/66/88/23/502668823.db2.gz RDYMGGVNKTZJCT-QFIPXVFZSA-N 0 3 353.462 3.396 20 30 FGEDHN N#Cc1cnc2ccccc2c1N1CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000473743204 502693442 /nfs/dbraw/zinc/69/34/42/502693442.db2.gz JSIVJSVRMWYFKA-NRFANRHFSA-N 0 3 364.493 3.170 20 30 FGEDHN COc1ccc(CCN(Cc2ccsc2)C(=O)C(C)C#N)cc1OC ZINC000488362517 502693926 /nfs/dbraw/zinc/69/39/26/502693926.db2.gz GVLUIEMQNKYURB-AWEZNQCLSA-N 0 3 358.463 3.496 20 30 FGEDHN Cc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)N(C)C)cc1 ZINC000488440887 502714732 /nfs/dbraw/zinc/71/47/32/502714732.db2.gz NPPZJLIJOXUSLJ-FQEVSTJZSA-N 0 3 362.477 3.458 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1 ZINC000481030040 502734402 /nfs/dbraw/zinc/73/44/02/502734402.db2.gz DJEBVCZVDYCESV-DZGCQCFKSA-N 0 3 363.483 3.415 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CNC2(c3ccccc3)CC2)c(OC)c1 ZINC000477509657 502792906 /nfs/dbraw/zinc/79/29/06/502792906.db2.gz BJLPRBWRKRGFBF-LJQANCHMSA-N 0 3 353.462 3.442 20 30 FGEDHN C=CCCCCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000474097148 502808081 /nfs/dbraw/zinc/80/80/81/502808081.db2.gz OIIZVAGMDCJVJU-HDICACEKSA-N 0 3 351.535 3.264 20 30 FGEDHN C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H](c1ccccc1)N(C)C ZINC000500668223 502836268 /nfs/dbraw/zinc/83/62/68/502836268.db2.gz GKOLDVZYFBKLMV-MGPUTAFESA-N 0 3 350.466 3.045 20 30 FGEDHN CCCN(CCN1CCCCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000513117926 502856560 /nfs/dbraw/zinc/85/65/60/502856560.db2.gz WRKUYJUAFBFKAE-UHFFFAOYSA-N 0 3 353.470 3.306 20 30 FGEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000513216132 502880410 /nfs/dbraw/zinc/88/04/10/502880410.db2.gz WZNNVAXZCWWWKR-CQSZACIVSA-N 0 3 363.889 3.142 20 30 FGEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000509377526 502886582 /nfs/dbraw/zinc/88/65/82/502886582.db2.gz XEDOTASFJZOMRI-RBBKRZOGSA-N 0 3 370.456 3.284 20 30 FGEDHN C=C[C@@H]1CCCCN1CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000489489534 502971211 /nfs/dbraw/zinc/97/12/11/502971211.db2.gz ZVJVKPJKLYJNQA-OAQYLSRUSA-N 0 3 355.526 3.116 20 30 FGEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC000513634172 502986261 /nfs/dbraw/zinc/98/62/61/502986261.db2.gz XCWRMKZFUOUSPW-QFIPXVFZSA-N 0 3 361.489 3.444 20 30 FGEDHN C[C@H]1CCN(C(=O)Cc2c(F)cccc2C#N)CCN1Cc1ccccc1 ZINC000513698109 503003362 /nfs/dbraw/zinc/00/33/62/503003362.db2.gz WOWVIVKQVLPTIZ-KRWDZBQOSA-N 0 3 365.452 3.363 20 30 FGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000513859547 503038187 /nfs/dbraw/zinc/03/81/87/503038187.db2.gz MWAOBSFMJKTJIC-OWLYRPNTSA-N 0 3 360.523 3.198 20 30 FGEDHN C=CCNC(=O)CN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C ZINC000513959248 503055658 /nfs/dbraw/zinc/05/56/58/503055658.db2.gz INQHWTXTKLJPBY-LZLYRXPVSA-N 0 3 358.482 3.344 20 30 FGEDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000497857967 503056109 /nfs/dbraw/zinc/05/61/09/503056109.db2.gz KEUVARIBOYGSTG-GOSISDBHSA-N 0 3 356.401 3.130 20 30 FGEDHN C=CCc1ccccc1OC[C@@H](O)CNC1(c2cccc(OC)c2)CC1 ZINC000510144450 503058688 /nfs/dbraw/zinc/05/86/88/503058688.db2.gz PKAPCMSQFMTASX-IBGZPJMESA-N 0 3 353.462 3.442 20 30 FGEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000506183587 503064949 /nfs/dbraw/zinc/06/49/49/503064949.db2.gz RONQGDGCLUYIMP-UZLBHIALSA-N 0 3 365.518 3.019 20 30 FGEDHN Cn1c2ccccc2nc1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000510251591 503079230 /nfs/dbraw/zinc/07/92/30/503079230.db2.gz YOXATPGNQGYFSC-UHFFFAOYSA-N 0 3 373.504 3.195 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(C#N)o2)cc(N2CCN(C(C)C)CC2)c1 ZINC000506339442 503097443 /nfs/dbraw/zinc/09/74/43/503097443.db2.gz JUAGMJUJDCXLLM-UHFFFAOYSA-N 0 3 352.438 3.242 20 30 FGEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000490048433 503098303 /nfs/dbraw/zinc/09/83/03/503098303.db2.gz VVBYRHJCKRUTLI-UYAOXDASSA-N 0 3 374.868 3.271 20 30 FGEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502165698 503154158 /nfs/dbraw/zinc/15/41/58/503154158.db2.gz GEJUIFWPZYZVAD-KRWDZBQOSA-N 0 3 352.482 3.231 20 30 FGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510874768 503208463 /nfs/dbraw/zinc/20/84/63/503208463.db2.gz POSXQIVBTHMIPW-HIFRSBDPSA-N 0 3 353.388 3.400 20 30 FGEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000514912226 503225878 /nfs/dbraw/zinc/22/58/78/503225878.db2.gz IYXDBSXPYBPYKT-CTNGQTDRSA-N 0 3 363.461 3.252 20 30 FGEDHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1cccc(C#N)c1 ZINC000502572350 503229671 /nfs/dbraw/zinc/22/96/71/503229671.db2.gz UFFDGJAOERBNHA-OAQYLSRUSA-N 0 3 373.460 3.085 20 30 FGEDHN CS[C@@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1N(C)C ZINC000490861329 503238113 /nfs/dbraw/zinc/23/81/13/503238113.db2.gz VNQJLPUUHVATHI-GOEBONIOSA-N 0 3 359.520 3.199 20 30 FGEDHN COc1cc(CNC[C@H](O)COc2cccc3ccccc32)ccc1C#N ZINC000514989665 503243167 /nfs/dbraw/zinc/24/31/67/503243167.db2.gz KEQPZXQCMOEGLG-IBGZPJMESA-N 0 3 362.429 3.250 20 30 FGEDHN CCCCN(C)CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000491050944 503266159 /nfs/dbraw/zinc/26/61/59/503266159.db2.gz IHNSXLINCPURTM-UHFFFAOYSA-N 0 3 372.391 3.353 20 30 FGEDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1C ZINC000498931154 503297198 /nfs/dbraw/zinc/29/71/98/503297198.db2.gz YGOPMJWMWKLJES-BBWFWOEESA-N 0 3 374.554 3.291 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000515321506 503313807 /nfs/dbraw/zinc/31/38/07/503313807.db2.gz BPEULJRDDJEYTC-UHFFFAOYSA-N 0 3 360.461 3.215 20 30 FGEDHN N#CCCCOc1cccnc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593057800 506365301 /nfs/dbraw/zinc/36/53/01/506365301.db2.gz BQPDUFPTCRMMIQ-STQMWFEESA-N 0 3 371.359 3.450 20 30 FGEDHN O=C(NCC#Cc1cccc(F)c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000511534694 503338926 /nfs/dbraw/zinc/33/89/26/503338926.db2.gz ZXSLDSVQFSDTSW-NRFANRHFSA-N 0 3 365.452 3.141 20 30 FGEDHN COc1ccc(OCCN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507848713 503379737 /nfs/dbraw/zinc/37/97/37/503379737.db2.gz PUFHPVDCUVEAAO-UHFFFAOYSA-N 0 3 352.434 3.489 20 30 FGEDHN N#Cc1ccc(CSCC(=O)N2CCCN(CC3CCC3)CC2)cc1 ZINC000508014976 503413624 /nfs/dbraw/zinc/41/36/24/503413624.db2.gz UZKYYQAKFKBQQF-UHFFFAOYSA-N 0 3 357.523 3.126 20 30 FGEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503515853 503425338 /nfs/dbraw/zinc/42/53/38/503425338.db2.gz IIFFFMFJXVGBJY-SFFNPBHPSA-N 0 3 357.498 3.157 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(C#N)[nH]2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000493475559 503429056 /nfs/dbraw/zinc/42/90/56/503429056.db2.gz AURFAYMXQMPNBY-GOSISDBHSA-N 0 3 374.448 3.091 20 30 FGEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@H]2OCc2ccccc2)CCCCC1 ZINC000503530771 503431107 /nfs/dbraw/zinc/43/11/07/503431107.db2.gz MJUGUFVZLOEADA-RTBURBONSA-N 0 3 355.482 3.057 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000493785667 503446475 /nfs/dbraw/zinc/44/64/75/503446475.db2.gz JOYGUEGYJJILDP-WMZOPIPTSA-N 0 3 362.518 3.049 20 30 FGEDHN CN1C(=O)C[C@@H](NCCOc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000494205850 503502441 /nfs/dbraw/zinc/50/24/41/503502441.db2.gz SPHJOWJYZCQKAW-XLIONFOSSA-N 0 3 369.852 3.152 20 30 FGEDHN C=CCSCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000508564366 503520818 /nfs/dbraw/zinc/52/08/18/503520818.db2.gz OYPBSROXCOUUDU-INIZCTEOSA-N 0 3 354.466 3.179 20 30 FGEDHN C=CCCc1ccccc1NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000504290140 503549900 /nfs/dbraw/zinc/54/99/00/503549900.db2.gz QSOFSCFNZUUMNT-OALUTQOASA-N 0 3 369.509 3.077 20 30 FGEDHN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(C2CCCC2)CC1 ZINC000508749547 503556827 /nfs/dbraw/zinc/55/68/27/503556827.db2.gz WLSNLJLFHWICRI-UHFFFAOYSA-N 0 3 355.486 3.406 20 30 FGEDHN CC(C)[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)N1CCOCC1 ZINC000516689061 503569434 /nfs/dbraw/zinc/56/94/34/503569434.db2.gz OLEQMWKKOCZZDE-QGZVFWFLSA-N 0 3 355.404 3.023 20 30 FGEDHN C=C[C@H]1CCCCN1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000494669573 503588902 /nfs/dbraw/zinc/58/89/02/503588902.db2.gz CEWJSHLNOGCUAL-NRFANRHFSA-N 0 3 370.541 3.074 20 30 FGEDHN COc1c(O)cccc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000494678886 503590039 /nfs/dbraw/zinc/59/00/39/503590039.db2.gz GKKXCELSVXYJQC-MRXNPFEDSA-N 0 3 355.413 3.170 20 30 FGEDHN COc1c(O)cccc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000494678879 503590211 /nfs/dbraw/zinc/59/02/11/503590211.db2.gz GKKXCELSVXYJQC-INIZCTEOSA-N 0 3 355.413 3.170 20 30 FGEDHN C[C@@H](NCCNc1ccc(-c2ccccc2)nn1)c1ccc(C#N)cc1F ZINC000512647330 503602275 /nfs/dbraw/zinc/60/22/75/503602275.db2.gz HMIIRZASMKRKTF-OAHLLOKOSA-N 0 3 361.424 3.339 20 30 FGEDHN N#Cc1ncn(CCNCc2cccc(OCc3ccccc3Cl)c2)n1 ZINC000512892648 503650607 /nfs/dbraw/zinc/65/06/07/503650607.db2.gz WNCPJBCOJBAPJF-UHFFFAOYSA-N 0 3 367.840 3.172 20 30 FGEDHN CC(C)(C#N)CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000512907637 503652562 /nfs/dbraw/zinc/65/25/62/503652562.db2.gz SNVXDPZCMTVVDN-OAQYLSRUSA-N 0 3 354.498 3.234 20 30 FGEDHN CCN(C(=O)COc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546184288 503662816 /nfs/dbraw/zinc/66/28/16/503662816.db2.gz KBIZCNSSVLERLR-FQEVSTJZSA-N 0 3 363.461 3.060 20 30 FGEDHN CN(C)C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000517203280 503671793 /nfs/dbraw/zinc/67/17/93/503671793.db2.gz OMBDWDIPMJBZGN-MRXNPFEDSA-N 0 3 359.832 3.426 20 30 FGEDHN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000517591824 503780747 /nfs/dbraw/zinc/78/07/47/503780747.db2.gz JIQUDBIGQGGYGD-IBGZPJMESA-N 0 3 371.504 3.361 20 30 FGEDHN C=CCc1ccccc1OC[C@H](O)CNC1(c2ccc(OC)cc2)CC1 ZINC000537058364 503791169 /nfs/dbraw/zinc/79/11/69/503791169.db2.gz YRIXZYHHMDSOCV-LJQANCHMSA-N 0 3 353.462 3.442 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530021608 503794475 /nfs/dbraw/zinc/79/44/75/503794475.db2.gz AZAAORCIAFDHRD-HNNXBMFYSA-N 0 3 362.271 3.067 20 30 FGEDHN CN1CCN(CCCNCc2ccc(C#N)cc2F)[C@@H](c2ccccc2)C1 ZINC000533312209 503803521 /nfs/dbraw/zinc/80/35/21/503803521.db2.gz DGUHWIVNXDNZDQ-JOCHJYFZSA-N 0 3 366.484 3.166 20 30 FGEDHN C=CCNC(=O)NC(=O)CN[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000537110488 503805753 /nfs/dbraw/zinc/80/57/53/503805753.db2.gz DBQXPQUXPOHFGC-GOSISDBHSA-N 0 3 371.868 3.225 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2csc(-c3ccccn3)n2)CC1 ZINC000543706296 503860291 /nfs/dbraw/zinc/86/02/91/503860291.db2.gz FUPFLTGVPCMZFN-UHFFFAOYSA-N 0 3 357.483 3.367 20 30 FGEDHN Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n(C2CCN(C)CC2)n1 ZINC000540758710 503881967 /nfs/dbraw/zinc/88/19/67/503881967.db2.gz LUFZDWOGXGQIBA-UHFFFAOYSA-N 0 3 363.465 3.266 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)NCCc2c(C)[nH]c3ccccc32)CC1 ZINC000517997459 503884433 /nfs/dbraw/zinc/88/44/33/503884433.db2.gz HATXPZNLYRZMKI-UHFFFAOYSA-N 0 3 354.498 3.359 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000530234023 503885530 /nfs/dbraw/zinc/88/55/30/503885530.db2.gz MTQUVYVBFGVMOT-HNAYVOBHSA-N 0 3 358.388 3.243 20 30 FGEDHN Cc1nc(SCC(=O)N2CC[C@@H](N3CCCCC3)C2)c(C#N)c(C)c1C ZINC000518088762 503905896 /nfs/dbraw/zinc/90/58/96/503905896.db2.gz DXAUHSOVWPJPSU-QGZVFWFLSA-N 0 3 372.538 3.057 20 30 FGEDHN COc1cc(-c2noc(-c3ccc(C#N)s3)n2)ccc1OCCN(C)C ZINC000546988428 503948758 /nfs/dbraw/zinc/94/87/58/503948758.db2.gz BFIODSUQVJXQNT-UHFFFAOYSA-N 0 3 370.434 3.286 20 30 FGEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)ccc1-n1cncn1 ZINC000527807162 503953725 /nfs/dbraw/zinc/95/37/25/503953725.db2.gz BCWCVQPGDWJQFJ-UHFFFAOYSA-N 0 3 373.460 3.243 20 30 FGEDHN C=CCN1CCC(NC(=O)N2CCCc3c4cccc(F)c4[nH]c3C2)CC1 ZINC000540978095 503962960 /nfs/dbraw/zinc/96/29/60/503962960.db2.gz UPEZCIOPXKAJOE-UHFFFAOYSA-N 0 3 370.472 3.415 20 30 FGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cncc(F)c1 ZINC000530473771 503976991 /nfs/dbraw/zinc/97/69/91/503976991.db2.gz AANXJKVUIAQNJU-UHFFFAOYSA-N 0 3 361.490 3.319 20 30 FGEDHN N#Cc1ccc(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000530730160 504067543 /nfs/dbraw/zinc/06/75/43/504067543.db2.gz XWAXXIYVMBYJOO-MRXNPFEDSA-N 0 3 359.351 3.472 20 30 FGEDHN CC1CCN([C@H](CNC(=O)Cc2ccc(C#N)nc2)c2ccccc2)CC1 ZINC000528127571 504083262 /nfs/dbraw/zinc/08/32/62/504083262.db2.gz PDNTVZYFRVHROR-OAQYLSRUSA-N 0 3 362.477 3.085 20 30 FGEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000518939468 504099204 /nfs/dbraw/zinc/09/92/04/504099204.db2.gz XPAWWLAYMMVRQL-HDICACEKSA-N 0 3 357.498 3.486 20 30 FGEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CNC2(C3CC3)CC2)c1C#N ZINC000544410977 504123082 /nfs/dbraw/zinc/12/30/82/504123082.db2.gz KKKHJIBPXWGGOM-UHFFFAOYSA-N 0 3 362.477 3.496 20 30 FGEDHN COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1cccc(C#N)c1 ZINC000530904380 504124504 /nfs/dbraw/zinc/12/45/04/504124504.db2.gz UOOZGJYHYPFGBG-UHFFFAOYSA-N 0 3 350.374 3.389 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000528386723 504200314 /nfs/dbraw/zinc/20/03/14/504200314.db2.gz JPXWUQGMZCTXNE-PXNSSMCTSA-N 0 3 354.425 3.002 20 30 FGEDHN C[C@@H](CC[S@](C)=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000538425865 504243228 /nfs/dbraw/zinc/24/32/28/504243228.db2.gz HJXICYXSJSJHSQ-LMKMVOKYSA-N 0 3 356.491 3.384 20 30 FGEDHN CC[C@@H]1CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1O ZINC000534863998 504264155 /nfs/dbraw/zinc/26/41/55/504264155.db2.gz QGRPLEPHXTVGTL-UXHICEINSA-N 0 3 366.461 3.349 20 30 FGEDHN C=CCN(C(=O)CCN(C)c1ccncc1)c1nc2c(s1)CCCC2 ZINC000541854755 504278558 /nfs/dbraw/zinc/27/85/58/504278558.db2.gz DSOSSOMFIPRPGW-UHFFFAOYSA-N 0 3 356.495 3.462 20 30 FGEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000544880402 504288452 /nfs/dbraw/zinc/28/84/52/504288452.db2.gz WBUKYKWUHOZRLY-HXUWFJFHSA-N 0 3 360.461 3.261 20 30 FGEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1c[nH]c(C#N)c1 ZINC000538711046 504337360 /nfs/dbraw/zinc/33/73/60/504337360.db2.gz QJODODVEKRTNOV-IBGZPJMESA-N 0 3 350.466 3.089 20 30 FGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000535282892 504391659 /nfs/dbraw/zinc/39/16/59/504391659.db2.gz DOKGQPNLGGNOMK-ZWNOBZJWSA-N 0 3 354.191 3.114 20 30 FGEDHN C[C@H]1C[C@H](NC(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000548420004 504438846 /nfs/dbraw/zinc/43/88/46/504438846.db2.gz XHXUAVDZLPAMQY-HNAYVOBHSA-N 0 3 351.425 3.480 20 30 FGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000548420236 504438936 /nfs/dbraw/zinc/43/89/36/504438936.db2.gz QAMZSLKSPZXQFZ-MRXNPFEDSA-N 0 3 351.425 3.434 20 30 FGEDHN COc1ccc(CC(=O)C(C#N)c2nc(C)cs2)cc1OC(F)F ZINC000528909213 504444875 /nfs/dbraw/zinc/44/48/75/504444875.db2.gz MYDTZEIIEJKHLU-LLVKDONJSA-N 0 3 352.362 3.481 20 30 FGEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000520259487 504448461 /nfs/dbraw/zinc/44/84/61/504448461.db2.gz IKOPSXATDPQOTK-INIZCTEOSA-N 0 3 371.506 3.264 20 30 FGEDHN C=CCC[C@@H](NCCNS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331947 504532890 /nfs/dbraw/zinc/53/28/90/504532890.db2.gz RPRHLCLUPZVYJK-OAHLLOKOSA-N 0 3 364.433 3.242 20 30 FGEDHN C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1cccc(C#N)c1 ZINC000539497933 504590223 /nfs/dbraw/zinc/59/02/23/504590223.db2.gz AAYSVGFMNOTMOB-QFBILLFUSA-N 0 3 354.523 3.259 20 30 FGEDHN COC(=O)c1occc1CNC1CCC(Oc2ccccc2C#N)CC1 ZINC000539516638 504596162 /nfs/dbraw/zinc/59/61/62/504596162.db2.gz OSNWHGOGPRDJSR-UHFFFAOYSA-N 0 3 354.406 3.418 20 30 FGEDHN CC1CC(C#N)(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000532321552 504610797 /nfs/dbraw/zinc/61/07/97/504610797.db2.gz UOAZHNKZTANOPH-RYZJOYRSSA-N 0 3 353.466 3.031 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1ccnn1C)C(C)C ZINC000539713466 504662387 /nfs/dbraw/zinc/66/23/87/504662387.db2.gz ZNQXTEZIPYFSSL-UXHICEINSA-N 0 3 373.545 3.355 20 30 FGEDHN COc1cc(CN(C)CCC(=O)Nc2cccc(C#N)c2)cc(OC)c1 ZINC000532489612 504668223 /nfs/dbraw/zinc/66/82/23/504668223.db2.gz QUJKEVZKMDWFLM-UHFFFAOYSA-N 0 3 353.422 3.036 20 30 FGEDHN CC[C@@H](C)n1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1C ZINC000539755738 504675247 /nfs/dbraw/zinc/67/52/47/504675247.db2.gz RSXQTQKTAXKFJL-MRXNPFEDSA-N 0 3 367.497 3.238 20 30 FGEDHN C=CCOCC(=O)N(CCN(CC)CC)c1cccc(Br)c1 ZINC000521235562 504689694 /nfs/dbraw/zinc/68/96/94/504689694.db2.gz NOMOAHUQKGNPFV-UHFFFAOYSA-N 0 3 369.303 3.327 20 30 FGEDHN C=C(C)COc1cc(CN[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)ccc1OC ZINC000546056737 504692091 /nfs/dbraw/zinc/69/20/91/504692091.db2.gz RIHKXWPVXIHPKE-NJDAHSKKSA-N 0 3 361.482 3.466 20 30 FGEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000521357583 504717256 /nfs/dbraw/zinc/71/72/56/504717256.db2.gz VGQQXYCCQAQOMN-KRWDZBQOSA-N 0 3 367.449 3.334 20 30 FGEDHN C[C@@H](C#N)CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CC1 ZINC000532811002 504762881 /nfs/dbraw/zinc/76/28/81/504762881.db2.gz XPRILNYQNNWMKM-INIZCTEOSA-N 0 3 372.538 3.434 20 30 FGEDHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000559087029 504778507 /nfs/dbraw/zinc/77/85/07/504778507.db2.gz FDRRKWIKDCCXNR-QUJCMNEKSA-N 0 3 361.511 3.373 20 30 FGEDHN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(CC(C)C)CC1 ZINC000549296547 504785175 /nfs/dbraw/zinc/78/51/75/504785175.db2.gz GGVJEJYJMYSUDD-UHFFFAOYSA-N 0 3 357.502 3.010 20 30 FGEDHN N#Cc1cc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)ccc1Cl ZINC000559248698 504808221 /nfs/dbraw/zinc/80/82/21/504808221.db2.gz ABOYMXOWMUDHIU-QGZVFWFLSA-N 0 3 355.825 3.031 20 30 FGEDHN CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(C#N)cc2)[C@H](C(F)(F)F)C1 ZINC000556264714 504830962 /nfs/dbraw/zinc/83/09/62/504830962.db2.gz RWACICHKQFTIFN-HUUCEWRRSA-N 0 3 353.388 3.083 20 30 FGEDHN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000549669815 504870692 /nfs/dbraw/zinc/87/06/92/504870692.db2.gz OUZPTSROKLPSNC-QGZVFWFLSA-N 0 3 354.502 3.001 20 30 FGEDHN COc1cc(C#N)ccc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000559634473 504901460 /nfs/dbraw/zinc/90/14/60/504901460.db2.gz HVDBWCTWPFQTJP-LJQANCHMSA-N 0 3 352.434 3.237 20 30 FGEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565652944 504949672 /nfs/dbraw/zinc/94/96/72/504949672.db2.gz BHUUOQXQCSFMDL-KNQAVFIVSA-N 0 3 361.445 3.031 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](N(C[C@H]3CCCO3)C3CCCC3)C2=O)cc1 ZINC000560017568 504970480 /nfs/dbraw/zinc/97/04/80/504970480.db2.gz BPTIFDSOPQDBOE-NHCUHLMSSA-N 0 3 367.493 3.477 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000553669672 504978385 /nfs/dbraw/zinc/97/83/85/504978385.db2.gz ZFJLSVOCMAGMOB-GOSISDBHSA-N 0 3 365.562 3.110 20 30 FGEDHN CC(C)Oc1ccc([C@@H](CNC(=O)Cc2cccc(C#N)c2)N(C)C)cc1 ZINC000553671786 504979095 /nfs/dbraw/zinc/97/90/95/504979095.db2.gz WYRIXMGGGYFCFU-OAQYLSRUSA-N 0 3 365.477 3.307 20 30 FGEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000562909351 504984034 /nfs/dbraw/zinc/98/40/34/504984034.db2.gz CLXQPQILKOTVOE-OAHLLOKOSA-N 0 3 365.437 3.303 20 30 FGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncc(C#N)cc1C ZINC000560097778 504991088 /nfs/dbraw/zinc/99/10/88/504991088.db2.gz PYMFUHAPPNHJAB-LJQANCHMSA-N 0 3 362.477 3.246 20 30 FGEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@H](O)CN(C)CCC#N ZINC000566118674 505087611 /nfs/dbraw/zinc/08/76/11/505087611.db2.gz YGWCKCOYZVUMLG-YJBOKZPZSA-N 0 3 372.538 3.284 20 30 FGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@H](C)C2CC2)c1C#N ZINC000557216961 505094478 /nfs/dbraw/zinc/09/44/78/505094478.db2.gz LSCCNGAXBMBCQW-OAHLLOKOSA-N 0 3 354.454 3.287 20 30 FGEDHN C[C@@H]1[C@H](NC(=O)N2CCC(CCC#N)CC2)CCN1Cc1ccccc1 ZINC000566153371 505099474 /nfs/dbraw/zinc/09/94/74/505099474.db2.gz NZNWITJSTNCNBB-YLJYHZDGSA-N 0 3 354.498 3.375 20 30 FGEDHN C=CCNC(=O)c1ccc(NC(=O)N(CC)CCN2CCCCCC2)cc1 ZINC000554171830 505109461 /nfs/dbraw/zinc/10/94/61/505109461.db2.gz HRMURZODOVTOOX-UHFFFAOYSA-N 0 3 372.513 3.332 20 30 FGEDHN CCN1CC[C@@H](NCc2ccc(C#N)cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000563352148 505117486 /nfs/dbraw/zinc/11/74/86/505117486.db2.gz CMBDLOZJRIENIM-MJGOQNOKSA-N 0 3 360.383 3.296 20 30 FGEDHN N#Cc1cccc(CC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000563465899 505147785 /nfs/dbraw/zinc/14/77/85/505147785.db2.gz ZQCPOOKHSZOVAS-HSZRJFAPSA-N 0 3 359.473 3.225 20 30 FGEDHN C[C@@H](NCCCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)cc1F ZINC000566380324 505158943 /nfs/dbraw/zinc/15/89/43/505158943.db2.gz GCWPXKOHAAQONL-CYBMUJFWSA-N 0 3 351.381 3.034 20 30 FGEDHN Cc1nc(SCC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c(C#N)c(C)c1C ZINC000557639958 505190215 /nfs/dbraw/zinc/19/02/15/505190215.db2.gz IHVIXLJDRSRPPN-DYVFJYSZSA-N 0 3 372.538 3.056 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]cc2-c2cccc(OC)c2)CC1 ZINC000560854901 505201956 /nfs/dbraw/zinc/20/19/56/505201956.db2.gz IVSVKILUECHQRY-UHFFFAOYSA-N 0 3 353.466 3.461 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cc3ccccc3s2)cc1 ZINC000560858044 505202470 /nfs/dbraw/zinc/20/24/70/505202470.db2.gz OOIUZYCAPNKMIT-KRWDZBQOSA-N 0 3 352.459 3.497 20 30 FGEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@@H]1OCCc2ccccc21 ZINC000554602548 505218183 /nfs/dbraw/zinc/21/81/83/505218183.db2.gz OULNOQBRYBAJSC-KRWDZBQOSA-N 0 3 355.463 3.194 20 30 FGEDHN C=CCOc1ccc(CNC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000557799868 505233963 /nfs/dbraw/zinc/23/39/63/505233963.db2.gz KLSHTEQFQJSMMO-IBGZPJMESA-N 0 3 365.477 3.369 20 30 FGEDHN COc1cc(OC)c2ncc(C#N)c(N[C@H](C)CN3CCCCC3)c2c1 ZINC000561121354 505256304 /nfs/dbraw/zinc/25/63/04/505256304.db2.gz NIAGHTBAZKLPCQ-CQSZACIVSA-N 0 3 354.454 3.410 20 30 FGEDHN C=CCN(Cc1ccccc1F)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000554790166 505265356 /nfs/dbraw/zinc/26/53/56/505265356.db2.gz DAJPZXKMLQMWKW-UHFFFAOYSA-N 0 3 360.473 3.375 20 30 FGEDHN N#Cc1cccc(CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000557963584 505273125 /nfs/dbraw/zinc/27/31/25/505273125.db2.gz VZFDTDPVJCEUNR-OAQYLSRUSA-N 0 3 362.477 3.065 20 30 FGEDHN N#Cc1ccccc1OCCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551736198 505295580 /nfs/dbraw/zinc/29/55/80/505295580.db2.gz XLCKHBNAVOSPNR-UHFFFAOYSA-N 0 3 357.404 3.428 20 30 FGEDHN Cc1ccccc1[C@H](CO)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000564054857 505312969 /nfs/dbraw/zinc/31/29/69/505312969.db2.gz QQRHSRZXRINIRF-SFHVURJKSA-N 0 3 357.841 3.172 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000566935860 505315999 /nfs/dbraw/zinc/31/59/99/505315999.db2.gz AIJHLPMCICERLP-UHFFFAOYSA-N 0 3 357.498 3.410 20 30 FGEDHN COC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1C#N ZINC000555254860 505392395 /nfs/dbraw/zinc/39/23/95/505392395.db2.gz RSJFERZQBUMZTP-NSGGIEJNSA-N 0 3 370.493 3.496 20 30 FGEDHN C=CCc1ccc(OC[C@@H](O)CN2CC3(CCC3)[C@@H]2C2CC2)c(OC)c1 ZINC000564561052 505453992 /nfs/dbraw/zinc/45/39/92/505453992.db2.gz LFLSEPDNFYZUNV-RXVVDRJESA-N 0 3 357.494 3.428 20 30 FGEDHN C=CCC1(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCC1 ZINC000564594976 505465008 /nfs/dbraw/zinc/46/50/08/505465008.db2.gz OGGTTYPUUPLVTH-NRFANRHFSA-N 0 3 367.537 3.152 20 30 FGEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2ccc3ccccc3c2)c1 ZINC000558718545 505472790 /nfs/dbraw/zinc/47/27/90/505472790.db2.gz ZIKKEDBLDZPYSF-UHFFFAOYSA-N 0 3 364.470 3.317 20 30 FGEDHN C=CCn1c(-c2ccoc2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000562032488 505496429 /nfs/dbraw/zinc/49/64/29/505496429.db2.gz GQBSVMTYXFUGLJ-UHFFFAOYSA-N 0 3 363.465 3.436 20 30 FGEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558973252 505541768 /nfs/dbraw/zinc/54/17/68/505541768.db2.gz OYTUAGUBXQHOJK-RDTXWAMCSA-N 0 3 371.868 3.398 20 30 FGEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000567726687 505549837 /nfs/dbraw/zinc/54/98/37/505549837.db2.gz RBABNOHRVHTFND-HSALFYBXSA-N 0 3 371.452 3.448 20 30 FGEDHN N#CCc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000567751873 505556411 /nfs/dbraw/zinc/55/64/11/505556411.db2.gz QDUIKQRANAJGNF-OAQYLSRUSA-N 0 3 362.477 3.216 20 30 FGEDHN N#Cc1cnn2cc(CNCCCO[C@H]3CCCc4ccccc43)cnc12 ZINC000567895783 505570457 /nfs/dbraw/zinc/57/04/57/505570457.db2.gz XRFHDNLZWOTHKO-FQEVSTJZSA-N 0 3 361.449 3.175 20 30 FGEDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599251196 506387019 /nfs/dbraw/zinc/38/70/19/506387019.db2.gz GGJDRBJGNKURQP-MRXNPFEDSA-N 0 3 356.388 3.209 20 30 FGEDHN N#CC1(C[C@H](O)CN2CCC(c3ccc(F)c(F)c3)CC2)CCOCC1 ZINC000599285108 506397285 /nfs/dbraw/zinc/39/72/85/506397285.db2.gz MXUCRBBBZOHXHA-KRWDZBQOSA-N 0 3 364.436 3.216 20 30 FGEDHN Cc1ccc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C#N ZINC000599347671 506420361 /nfs/dbraw/zinc/42/03/61/506420361.db2.gz HTGUEZVNRGRPGM-INIZCTEOSA-N 0 3 363.461 3.375 20 30 FGEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000599351091 506422419 /nfs/dbraw/zinc/42/24/19/506422419.db2.gz XCNPKTFEQHANMZ-LPHOPBHVSA-N 0 3 351.450 3.366 20 30 FGEDHN COc1ccc([C@H](NC[C@@H](O)COc2ccccc2C#N)C2CC2)cc1 ZINC000599354896 506425178 /nfs/dbraw/zinc/42/51/78/506425178.db2.gz SIFUJVNPRCDQOW-WIYYLYMNSA-N 0 3 352.434 3.047 20 30 FGEDHN N#Cc1cc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)ccn1 ZINC000603132595 506431261 /nfs/dbraw/zinc/43/12/61/506431261.db2.gz TUFYLJBUDMDXHT-CQSZACIVSA-N 0 3 355.467 3.048 20 30 FGEDHN CN1CCC[C@H](CNC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1cccs1 ZINC000603129811 506432193 /nfs/dbraw/zinc/43/21/93/506432193.db2.gz PEEZNPCZGWXDJU-CXAGYDPISA-N 0 3 355.467 3.219 20 30 FGEDHN N#CC1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCCCC1 ZINC000596528253 506449391 /nfs/dbraw/zinc/44/93/91/506449391.db2.gz QVRUYCBSWDYRIW-UHFFFAOYSA-N 0 3 355.486 3.071 20 30 FGEDHN CCN(CC)CCN(CC(=O)Nc1cccc(C#N)c1)Cc1cccs1 ZINC000582861990 506459627 /nfs/dbraw/zinc/45/96/27/506459627.db2.gz JQKWJVVANCIONF-UHFFFAOYSA-N 0 3 370.522 3.402 20 30 FGEDHN Cc1cc(NC(=O)N2CCCN(C(C)(C)C)CC2)c(C#N)cc1N(C)C ZINC000582894461 506477037 /nfs/dbraw/zinc/47/70/37/506477037.db2.gz UIEONOXMKFAOEV-UHFFFAOYSA-N 0 3 357.502 3.271 20 30 FGEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2(C#N)CCCC2)C1 ZINC000596644054 506506984 /nfs/dbraw/zinc/50/69/84/506506984.db2.gz TYXNLHQYQPLSCX-LJQANCHMSA-N 0 3 354.498 3.029 20 30 FGEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590853 506518053 /nfs/dbraw/zinc/51/80/53/506518053.db2.gz RPYFXVHGDGJZMB-QAPCUYQASA-N 0 3 371.481 3.187 20 30 FGEDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000599600593 506525037 /nfs/dbraw/zinc/52/50/37/506525037.db2.gz NOZHBBHCOQYTTA-AWEZNQCLSA-N 0 3 353.422 3.255 20 30 FGEDHN Cc1cccc([C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)c1 ZINC000599630417 506539802 /nfs/dbraw/zinc/53/98/02/506539802.db2.gz RJCZGSXIGTWLLU-IBGZPJMESA-N 0 3 357.479 3.022 20 30 FGEDHN N#Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000589517500 506575328 /nfs/dbraw/zinc/57/53/28/506575328.db2.gz BOUQHZZJCYFAEM-INIZCTEOSA-N 0 3 367.415 3.121 20 30 FGEDHN Cc1ccccc1CN1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000589560541 506586805 /nfs/dbraw/zinc/58/68/05/506586805.db2.gz DISJHDYNRBQBNC-UHFFFAOYSA-N 0 3 350.422 3.487 20 30 FGEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000589585203 506593307 /nfs/dbraw/zinc/59/33/07/506593307.db2.gz VNGHGTGMKKNSHF-UHFFFAOYSA-N 0 3 360.364 3.313 20 30 FGEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)NCC1(C#N)CCCC1)C1CC1 ZINC000593394420 506597662 /nfs/dbraw/zinc/59/76/62/506597662.db2.gz HMZXMINMGHKPJQ-IBGZPJMESA-N 0 3 354.498 3.280 20 30 FGEDHN C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000583143609 506613385 /nfs/dbraw/zinc/61/33/85/506613385.db2.gz BPGQKFLVUFGBRB-MRXNPFEDSA-N 0 3 372.542 3.351 20 30 FGEDHN COc1cc(NC(=O)N2CCCN(C3CCCC3)CC2)c(F)cc1C#N ZINC000599819762 506656236 /nfs/dbraw/zinc/65/62/36/506656236.db2.gz PZNJZZJJOIYQOT-UHFFFAOYSA-N 0 3 360.433 3.188 20 30 FGEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000596895409 506661377 /nfs/dbraw/zinc/66/13/77/506661377.db2.gz MQCXPSYERQGOEE-BBRMVZONSA-N 0 3 355.388 3.402 20 30 FGEDHN C[C@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CCN(C2CCC2)C1 ZINC000589930431 506680994 /nfs/dbraw/zinc/68/09/94/506680994.db2.gz MVRGEJFHMMYEFW-CQSZACIVSA-N 0 3 360.889 3.227 20 30 FGEDHN CC(C)Cc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)nc2)N(C)C)cc1 ZINC000599943226 506722343 /nfs/dbraw/zinc/72/23/43/506722343.db2.gz KDQBDKUSTYZJPM-OAQYLSRUSA-N 0 3 364.493 3.113 20 30 FGEDHN CC(C)Cc1ccc([C@H](CNC(=O)Cc2ccc(C#N)nc2)N(C)C)cc1 ZINC000599943225 506722462 /nfs/dbraw/zinc/72/24/62/506722462.db2.gz KDQBDKUSTYZJPM-NRFANRHFSA-N 0 3 364.493 3.113 20 30 FGEDHN COc1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)cc1O ZINC000593687201 506731363 /nfs/dbraw/zinc/73/13/63/506731363.db2.gz FZTJYAKMEZCVMQ-UHFFFAOYSA-N 0 3 351.450 3.027 20 30 FGEDHN Cc1c(Cl)c(CNC2CCN(Cc3cccc(C#N)c3)CC2)nn1C ZINC000593691899 506734264 /nfs/dbraw/zinc/73/42/64/506734264.db2.gz UNNKDLVOJNQQBE-UHFFFAOYSA-N 0 3 357.889 3.008 20 30 FGEDHN COc1cc(CNC(=O)CC2(C#N)CCCCC2)ccc1OCCN(C)C ZINC000597049507 506749657 /nfs/dbraw/zinc/74/96/57/506749657.db2.gz TZFVVWNZDNNIOX-UHFFFAOYSA-N 0 3 373.497 3.116 20 30 FGEDHN CN(C)CCOc1cccc(-c2noc(CNc3ccc(C#N)cc3)n2)c1 ZINC000612932321 506822030 /nfs/dbraw/zinc/82/20/30/506822030.db2.gz WMEJKQAEWOBLEI-UHFFFAOYSA-N 0 3 363.421 3.161 20 30 FGEDHN CSc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cc2)N(C)C)cc1 ZINC000590532392 506851954 /nfs/dbraw/zinc/85/19/54/506851954.db2.gz QYJVWYALLRHZOX-LJQANCHMSA-N 0 3 368.506 3.111 20 30 FGEDHN CCC(C)(C)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000594021275 506886596 /nfs/dbraw/zinc/88/65/96/506886596.db2.gz RESCZFCIYRSHLI-QGZVFWFLSA-N 0 3 374.504 3.267 20 30 FGEDHN COc1ccccc1COC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032642 506895949 /nfs/dbraw/zinc/89/59/49/506895949.db2.gz KNNSKCXBUALYIH-HXUWFJFHSA-N 0 3 366.461 3.113 20 30 FGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC1(C#N)CCOCC1 ZINC000597323318 506897273 /nfs/dbraw/zinc/89/72/73/506897273.db2.gz XYCPHKQCFYUIED-FQEVSTJZSA-N 0 3 369.509 3.067 20 30 FGEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597355170 506910503 /nfs/dbraw/zinc/91/05/03/506910503.db2.gz JJTIIAUMONIVLZ-VBKZILBWSA-N 0 3 369.415 3.477 20 30 FGEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)C[C@@H]1C ZINC000597422746 506943936 /nfs/dbraw/zinc/94/39/36/506943936.db2.gz QEZZUGGYKNOCEH-HOTGVXAUSA-N 0 3 364.497 3.146 20 30 FGEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@@H]1c1ccco1)C(C)C ZINC000604914367 506985950 /nfs/dbraw/zinc/98/59/50/506985950.db2.gz GZOZEPQLJLAUAO-ZWKOTPCHSA-N 0 3 361.486 3.061 20 30 FGEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000613255524 506995624 /nfs/dbraw/zinc/99/56/24/506995624.db2.gz VNGHDQFJOVRQFJ-BPLDGKMQSA-N 0 3 351.372 3.483 20 30 FGEDHN N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594199432 507003453 /nfs/dbraw/zinc/00/34/53/507003453.db2.gz YZXJAORMKROBSR-JKSUJKDBSA-N 0 3 362.271 3.067 20 30 FGEDHN N#Cc1cc2c(nc1N1CC[C@]3(CCN(Cc4ccccc4)C3)C1)CCOC2 ZINC000583852960 507009500 /nfs/dbraw/zinc/00/95/00/507009500.db2.gz LZVFSDPBMGQCTE-QHCPKHFHSA-N 0 3 374.488 3.128 20 30 FGEDHN C[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CCC[C@H](C)C1 ZINC000594208618 507010214 /nfs/dbraw/zinc/01/02/14/507010214.db2.gz HEXJRSPHNCRPQI-DLBZAZTESA-N 0 3 354.498 3.357 20 30 FGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000609921561 507051935 /nfs/dbraw/zinc/05/19/35/507051935.db2.gz MOBISJIBZXINAR-ZWNOBZJWSA-N 0 3 354.191 3.114 20 30 FGEDHN CCc1ccc([C@@H](CNC(=O)CC2(C#N)CCOCC2)N(CC)CC)cc1 ZINC000597693722 507063273 /nfs/dbraw/zinc/06/32/73/507063273.db2.gz YCIKHADRQAQSON-HXUWFJFHSA-N 0 3 371.525 3.459 20 30 FGEDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000613389232 507065815 /nfs/dbraw/zinc/06/58/15/507065815.db2.gz FNBRJZONVBEWRY-LVCYWYKZSA-N 0 3 365.477 3.076 20 30 FGEDHN C[C@@H]1Oc2c(cccc2C(=O)C(C#N)c2ccc3ccccc3n2)NC1=O ZINC000591020092 507080204 /nfs/dbraw/zinc/08/02/04/507080204.db2.gz QCHSJZZLMTWPHO-WFASDCNBSA-N 0 3 357.369 3.444 20 30 FGEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccccc1OC1CCC1 ZINC000600724832 507083844 /nfs/dbraw/zinc/08/38/44/507083844.db2.gz OTWPHBQRCSTEIK-SFHVURJKSA-N 0 3 352.434 3.019 20 30 FGEDHN N#CC1(C[C@H](O)CNCc2cc(Cl)ccc2OC(F)F)CCOCC1 ZINC000600726437 507085385 /nfs/dbraw/zinc/08/53/85/507085385.db2.gz FUKYUMSBSQDOFG-AWEZNQCLSA-N 0 3 374.815 3.102 20 30 FGEDHN COC(=O)[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)Cc2ccccc21 ZINC000600763799 507106770 /nfs/dbraw/zinc/10/67/70/507106770.db2.gz PIOHKJWNXPRMDC-PXNSSMCTSA-N 0 3 362.429 3.058 20 30 FGEDHN COc1ccc(-c2nc(NC(=O)[C@H](N)CCCCC#N)sc2C)cc1 ZINC000594424558 507125411 /nfs/dbraw/zinc/12/54/11/507125411.db2.gz FTHAVRGFKXQCPK-OAHLLOKOSA-N 0 3 358.467 3.477 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000594429598 507129523 /nfs/dbraw/zinc/12/95/23/507129523.db2.gz ULRJWOLTBTUMOO-GUYCJALGSA-N 0 3 351.853 3.424 20 30 FGEDHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@H](N)CCCCC#N ZINC000594433653 507131230 /nfs/dbraw/zinc/13/12/30/507131230.db2.gz QEPJWVSJDCCZFJ-GOSISDBHSA-N 0 3 353.470 3.023 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000594439569 507132344 /nfs/dbraw/zinc/13/23/44/507132344.db2.gz XJBNGKHEVBGPAQ-MRXNPFEDSA-N 0 3 350.422 3.033 20 30 FGEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC000594437862 507132778 /nfs/dbraw/zinc/13/27/78/507132778.db2.gz LBSRINCYBQBUJZ-GOSISDBHSA-N 0 3 361.449 3.434 20 30 FGEDHN Cc1sc(CCNC(=O)[C@@H](N)CCCCC#N)nc1-c1ccccc1 ZINC000594438457 507133082 /nfs/dbraw/zinc/13/30/82/507133082.db2.gz IOHDMHIHGVLZTP-INIZCTEOSA-N 0 3 356.495 3.189 20 30 FGEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(OCc2ccccn2)c1 ZINC000594441126 507134780 /nfs/dbraw/zinc/13/47/80/507134780.db2.gz NKGKAGRLEYZIDZ-UZLBHIALSA-N 0 3 366.465 3.249 20 30 FGEDHN C[C@H](c1ccccc1Br)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594443804 507135720 /nfs/dbraw/zinc/13/57/20/507135720.db2.gz VBVKTGXNVLEZJV-DOMZBBRYSA-N 0 3 352.276 3.380 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)NCCc1cc(Cl)ccc1Br ZINC000594443589 507135938 /nfs/dbraw/zinc/13/59/38/507135938.db2.gz RWWSFJHRZMWGPW-AWEZNQCLSA-N 0 3 372.694 3.172 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000594446371 507137043 /nfs/dbraw/zinc/13/70/43/507137043.db2.gz RWHZSLKDBCMQCX-CABCVRRESA-N 0 3 356.495 3.414 20 30 FGEDHN CCc1c(NC(=O)[C@@H](N)CCCCC#N)cnn1-c1ccccc1Cl ZINC000594456361 507140797 /nfs/dbraw/zinc/14/07/97/507140797.db2.gz MZKMNHGMMGATBX-AWEZNQCLSA-N 0 3 359.861 3.438 20 30 FGEDHN C[C@H](N[C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000594552021 507182189 /nfs/dbraw/zinc/18/21/89/507182189.db2.gz XBHCXFOBABHNAJ-JQFCIGGWSA-N 0 3 372.538 3.042 20 30 FGEDHN C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCC1(C#N)CCC1 ZINC000591323110 507200674 /nfs/dbraw/zinc/20/06/74/507200674.db2.gz LKCPQMXZEQUTFT-QGZVFWFLSA-N 0 3 355.482 3.363 20 30 FGEDHN C[C@@H](NC(=O)NCCCN(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610347433 507203449 /nfs/dbraw/zinc/20/34/49/507203449.db2.gz ODWSOAZJZAOKSD-QGZVFWFLSA-N 0 3 350.466 3.441 20 30 FGEDHN C[C@@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)c1cccc(C#N)c1 ZINC000610348684 507206025 /nfs/dbraw/zinc/20/60/25/507206025.db2.gz RTHPJJSGKGMWCV-MRXNPFEDSA-N 0 3 366.465 3.059 20 30 FGEDHN CC(C)(C#N)c1ccc(CN2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000594607785 507208543 /nfs/dbraw/zinc/20/85/43/507208543.db2.gz ZONIOMHVMRGRFM-UHFFFAOYSA-N 0 3 369.494 3.190 20 30 FGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610406597 507229330 /nfs/dbraw/zinc/22/93/30/507229330.db2.gz FOPPEWVFHJHKTQ-QGZVFWFLSA-N 0 3 350.466 3.393 20 30 FGEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000613760874 507245101 /nfs/dbraw/zinc/24/51/01/507245101.db2.gz HFILFDGWAHBOIB-UHFFFAOYSA-N 0 3 365.437 3.303 20 30 FGEDHN Cc1cc(C)c(C#N)c(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000610542414 507282203 /nfs/dbraw/zinc/28/22/03/507282203.db2.gz FUTQYWKGRBZMCZ-ROUUACIJSA-N 0 3 356.514 3.286 20 30 FGEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000598196013 507307553 /nfs/dbraw/zinc/30/75/53/507307553.db2.gz YWODRDJRPIFTSY-RJGXRXQPSA-N 0 3 373.500 3.437 20 30 FGEDHN N#CC1(c2ccc(CNCCNC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000594917203 507313727 /nfs/dbraw/zinc/31/37/27/507313727.db2.gz HTPFSLFBEHBGEB-UHFFFAOYSA-N 0 3 353.853 3.415 20 30 FGEDHN Cc1cccc2[nH]c(CN[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 ZINC000594936629 507320559 /nfs/dbraw/zinc/32/05/59/507320559.db2.gz GFMXZACRJNZLBF-NRFANRHFSA-N 0 3 358.445 3.239 20 30 FGEDHN N#C[C@@H]1CC[C@H](NCc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000591640186 507320896 /nfs/dbraw/zinc/32/08/96/507320896.db2.gz LDDJVKBTSKVCPS-WBVHZDCISA-N 0 3 368.506 3.429 20 30 FGEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(C4(C#N)CC4)cc3)C2=O)cc1 ZINC000594941973 507324262 /nfs/dbraw/zinc/32/42/62/507324262.db2.gz DSZGUJCUJXHGMQ-OAQYLSRUSA-N 0 3 370.456 3.399 20 30 FGEDHN N#CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000610676968 507343410 /nfs/dbraw/zinc/34/34/10/507343410.db2.gz KRLYUUUWYSLCEP-ICSRJNTNSA-N 0 3 354.425 3.121 20 30 FGEDHN C[C@]1(c2ccccc2)CCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610676950 507343453 /nfs/dbraw/zinc/34/34/53/507343453.db2.gz HIMSFIFLPWSDLB-UNMCSNQZSA-N 0 3 350.462 3.156 20 30 FGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)COCc1ccccc1Cl ZINC000591763873 507352145 /nfs/dbraw/zinc/35/21/45/507352145.db2.gz OVDFJBBYFSXEPV-XLIONFOSSA-N 0 3 356.853 3.366 20 30 FGEDHN CN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3n2CC#N)c2ccccc2O1 ZINC000610762038 507379277 /nfs/dbraw/zinc/37/92/77/507379277.db2.gz VOQAGZLLTMETQS-QGZVFWFLSA-N 0 3 374.444 3.134 20 30 FGEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159906 507389836 /nfs/dbraw/zinc/38/98/36/507389836.db2.gz ZLPDZJBVARBSTC-HNNXBMFYSA-N 0 3 371.506 3.328 20 30 FGEDHN C=CCc1ccc(OCC(=O)N2CCCN(C3CCCC3)CC2)c(OC)c1 ZINC000606411617 507393301 /nfs/dbraw/zinc/39/33/01/507393301.db2.gz KJGPHMGRDDXFJL-UHFFFAOYSA-N 0 3 372.509 3.279 20 30 FGEDHN CCN1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000591900212 507401763 /nfs/dbraw/zinc/40/17/63/507401763.db2.gz HNSMCTODWNESAO-HNNXBMFYSA-N 0 3 371.916 3.445 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000601622691 507405690 /nfs/dbraw/zinc/40/56/90/507405690.db2.gz SYRDATCTZSJFNZ-AWEZNQCLSA-N 0 3 353.422 3.034 20 30 FGEDHN COc1cc(CN(C)C)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000601620760 507406200 /nfs/dbraw/zinc/40/62/00/507406200.db2.gz KQXKYRGHAREMAZ-UHFFFAOYSA-N 0 3 367.424 3.438 20 30 FGEDHN N#Cc1cnc2c(Cl)cccc2c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000591924115 507411945 /nfs/dbraw/zinc/41/19/45/507411945.db2.gz IZTPKYGAHQJHDF-OAHLLOKOSA-N 0 3 356.857 3.425 20 30 FGEDHN Cc1cccc2c1ncc(C#N)c2NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000610864672 507419156 /nfs/dbraw/zinc/41/91/56/507419156.db2.gz YALIVKGCNJRLPQ-CALCHBBNSA-N 0 3 352.482 3.138 20 30 FGEDHN N#CCCCC[C@H](N)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC000595257182 507442261 /nfs/dbraw/zinc/44/22/61/507442261.db2.gz IBHWYTFGUSHUGM-HNNXBMFYSA-N 0 3 364.421 3.362 20 30 FGEDHN COc1cc(NC(=O)[C@@H](N)CCCCC#N)c(Cl)cc1Br ZINC000595259748 507442888 /nfs/dbraw/zinc/44/28/88/507442888.db2.gz NRQIWBQNBCBSGP-NSHDSACASA-N 0 3 374.666 3.461 20 30 FGEDHN C=CCOc1ccc(CN[C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000584736515 507477093 /nfs/dbraw/zinc/47/70/93/507477093.db2.gz YAAZDLUZXJQFKN-ZDUSSCGKSA-N 0 3 350.260 3.389 20 30 FGEDHN CC(C)(CNC(=O)N1CCC[C@H](CC#N)C1)N1CCc2ccccc2C1 ZINC000595435582 507495845 /nfs/dbraw/zinc/49/58/45/507495845.db2.gz 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ZINC000601970098 507534048 /nfs/dbraw/zinc/53/40/48/507534048.db2.gz XQQPHYVPVLCJSY-CQSZACIVSA-N 0 3 370.396 3.362 20 30 FGEDHN Cc1nc(CN2CCC(CNCc3cccc(F)c3C#N)CC2)oc1C ZINC000602006347 507550564 /nfs/dbraw/zinc/55/05/64/507550564.db2.gz JZHVXBPHPQZWQS-UHFFFAOYSA-N 0 3 356.445 3.304 20 30 FGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCOc2ccc(Br)cc21 ZINC000598701491 507558578 /nfs/dbraw/zinc/55/85/78/507558578.db2.gz VSHPYLSWJJFRDR-JSGCOSHPSA-N 0 3 353.260 3.163 20 30 FGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CCC(F)CC2)cc1 ZINC000592256378 507564966 /nfs/dbraw/zinc/56/49/66/507564966.db2.gz YNSHDBRCHPILJT-HSBZDZAISA-N 0 3 367.446 3.022 20 30 FGEDHN COc1cccc(Oc2ncccc2CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598721053 507568337 /nfs/dbraw/zinc/56/83/37/507568337.db2.gz SQRSCEXTRVKNMR-INIZCTEOSA-N 0 3 355.438 3.273 20 30 FGEDHN CSc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000611246894 507577792 /nfs/dbraw/zinc/57/77/92/507577792.db2.gz CALDSOZKHVCPIH-UHFFFAOYSA-N 0 3 369.494 3.271 20 30 FGEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000595612182 507589489 /nfs/dbraw/zinc/58/94/89/507589489.db2.gz SQJVMKSKGFPDQF-CYBMUJFWSA-N 0 3 350.260 3.403 20 30 FGEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000595619594 507596321 /nfs/dbraw/zinc/59/63/21/507596321.db2.gz DUCHTXUUWINNHE-ZDUSSCGKSA-N 0 3 350.260 3.403 20 30 FGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 ZINC000592328843 507608495 /nfs/dbraw/zinc/60/84/95/507608495.db2.gz SPRKVDGNJGBQKU-UHFFFAOYSA-N 0 3 372.513 3.331 20 30 FGEDHN C[C@@H](C#N)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000611300421 507612077 /nfs/dbraw/zinc/61/20/77/507612077.db2.gz ZXEXXAPPLVJNQG-SFHVURJKSA-N 0 3 362.477 3.149 20 30 FGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000611390221 507659753 /nfs/dbraw/zinc/65/97/53/507659753.db2.gz KLVWEDPLAKOEGL-JTHBVZDNSA-N 0 3 361.489 3.426 20 30 FGEDHN N#Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000586756926 507660083 /nfs/dbraw/zinc/66/00/83/507660083.db2.gz RXJJYQCJFDKVIZ-KRWDZBQOSA-N 0 3 351.425 3.339 20 30 FGEDHN COc1ccc(COCCNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595765032 507674863 /nfs/dbraw/zinc/67/48/63/507674863.db2.gz NLDIQPRSYLZLJJ-UHFFFAOYSA-N 0 3 366.461 3.379 20 30 FGEDHN C=CCC1(NCc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CCCC1 ZINC000595780635 507680279 /nfs/dbraw/zinc/68/02/79/507680279.db2.gz XDFNBEBKIWUIIA-UHFFFAOYSA-N 0 3 358.442 3.269 20 30 FGEDHN CN(Cc1cnc2c(C#N)cnn2c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000592498791 507681360 /nfs/dbraw/zinc/68/13/60/507681360.db2.gz GEXMGSKJJXVDBX-QUCCMNQESA-N 0 3 361.449 3.201 20 30 FGEDHN COc1nc(C)cc(C)c1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000611438306 507682109 /nfs/dbraw/zinc/68/21/09/507682109.db2.gz ORVSXZLRABXHJW-UHFFFAOYSA-N 0 3 364.493 3.333 20 30 FGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC3CCCCC3)nc2)CC1 ZINC000592514791 507688508 /nfs/dbraw/zinc/68/85/08/507688508.db2.gz YRZMNQYSVTVPKV-UHFFFAOYSA-N 0 3 372.513 3.243 20 30 FGEDHN C[C@@H](N[C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473597 507698087 /nfs/dbraw/zinc/69/80/87/507698087.db2.gz WRNWJZSCMFZAIS-VGSWGCGISA-N 0 3 367.468 3.375 20 30 FGEDHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595823074 507702394 /nfs/dbraw/zinc/70/23/94/507702394.db2.gz GBZOFCZRORPRIR-HXUWFJFHSA-N 0 3 362.477 3.413 20 30 FGEDHN N#Cc1ccc(CN2CCN(c3ccncc3)CC2)c(Br)c1 ZINC000611500611 507708851 /nfs/dbraw/zinc/70/88/51/507708851.db2.gz CRNGQQHZBMPDGF-UHFFFAOYSA-N 0 3 357.255 3.038 20 30 FGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc4nccnc4c3)CC2)c1 ZINC000602455545 507715629 /nfs/dbraw/zinc/71/56/29/507715629.db2.gz XBLXVAKZECKBKI-UHFFFAOYSA-N 0 3 371.444 3.352 20 30 FGEDHN CN(CCC(=O)N[C@H](C#N)c1ccccc1Br)c1ccncc1 ZINC000611528400 507723301 /nfs/dbraw/zinc/72/33/01/507723301.db2.gz ONZBAEIPYPZWJL-MRXNPFEDSA-N 0 3 373.254 3.051 20 30 FGEDHN CC1(C)CN(c2cc(C#N)cnn2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596002115 507755245 /nfs/dbraw/zinc/75/52/45/507755245.db2.gz DUEBEVHJLDUKKO-OAQYLSRUSA-N 0 3 361.493 3.475 20 30 FGEDHN C=CC[N@@H+](CCCCCn1cc(C)cn1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419500 598701201 /nfs/dbraw/zinc/70/12/01/598701201.db2.gz TWSZFDKWKNSSOX-UHFFFAOYSA-N 0 3 365.485 3.230 20 30 FGEDHN C=CC[N@H+](CCCCCn1cc(C)cn1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419500 598701202 /nfs/dbraw/zinc/70/12/02/598701202.db2.gz TWSZFDKWKNSSOX-UHFFFAOYSA-N 0 3 365.485 3.230 20 30 FGEDHN C=CC[N@@H+](CCCCCn1cc(C)cn1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419500 598701204 /nfs/dbraw/zinc/70/12/04/598701204.db2.gz TWSZFDKWKNSSOX-UHFFFAOYSA-N 0 3 365.485 3.230 20 30 FGEDHN C=CC[N@H+](CCCCCn1cc(C)cn1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419500 598701206 /nfs/dbraw/zinc/70/12/06/598701206.db2.gz TWSZFDKWKNSSOX-UHFFFAOYSA-N 0 3 365.485 3.230 20 30 FGEDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820121924 606965441 /nfs/dbraw/zinc/96/54/41/606965441.db2.gz VXUZPPFJFYAUAU-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820121924 606965443 /nfs/dbraw/zinc/96/54/43/606965443.db2.gz VXUZPPFJFYAUAU-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820121924 606965445 /nfs/dbraw/zinc/96/54/45/606965445.db2.gz VXUZPPFJFYAUAU-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820121924 606965446 /nfs/dbraw/zinc/96/54/46/606965446.db2.gz VXUZPPFJFYAUAU-UHFFFAOYSA-N 0 3 350.401 3.288 20 30 FGEDHN